A0A087YFT3_POEFO Loading...

Histone PARylation factor 1

AlphaFold DB , UniProt , Accession A0A087YFT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	32.1	Very low	245 Å²	245	173 Å²	173	100%	1.207	89%	0.887	S	S	*	*				0	125.9	0	-73.4	-154.6	-111.9	0	0	109
2	T	32.1	Very low	31.6	Very low	148 Å²	148	171.4 Å²	171.4	91%	0.908	88%	0.881	S	S	*	*			trans	-50.9	156.2	171.9	47.5	0	0	0	0	111.9
3	G	28.8	Very low	31.5	Very low	80 Å²	80	173.5 Å²	173.5	83%	0.825	89%	0.885	S	S	*	*			cis	174.3	165.4	15.1	0	0	0	0	0	109.2
4	R	33.3	Very low	31.2	Very low	253 Å²	253	174.2 Å²	174.2	96%	0.955	88%	0.883	S	S	*	*			trans	-85.9	143.3	-177.4	-158.5	-178.8	-167.8	-174.3	3.1	109.2
5	A	32.8	Very low	31	Very low	98 Å²	98	170.5 Å²	170.5	81%	0.81	88%	0.88	S	S	*	*				156.6	134	128.2	0	0	0	0	0	116.8
6	K	35.4	Very low	30.8	Very low	194 Å²	194	167.8 Å²	167.8	84%	0.843	88%	0.878	S	S	*	*			trans	-23	145.6	155.4	-60.5	169.7	172.5	176.6	0	119.1
7	R	28.2	Very low	30.8	Very low	243 Å²	243	165.4 Å²	165.4	92%	0.917	88%	0.879	S	S	*	*				165.7	136.5	104.8	-99.6	-178.5	171.2	168	-3.2	115.4
8	K	29.5	Very low	30.9	Very low	188 Å²	188	161.2 Å²	161.2	82%	0.817	87%	0.871	S	S	*	*			trans	11.7	134.5	139.2	-83.5	-175.2	173.1	-175.9	0	124.1
9	T	27.5	Very low	30.9	Very low	124 Å²	124	161.7 Å²	161.7	76%	0.761	87%	0.873	S	S	*	*			trans	69.6	119.5	135.6	45.1	0	0	0	0	125.6
10	K	34.5	Very low	30.9	Very low	202 Å²	202	157.3 Å²	157.3	88%	0.878	87%	0.868	S	S	*	*			trans	42.4	140	138.4	-76.1	-170.9	176.3	-174.6	0	121.5
11	P	31.2	Very low	31	Very low	128 Å²	128	159.4 Å²	159.4	83%	0.831	87%	0.871	S	S	*	*				-147.8	171.6	96.8	36.6	-17.7	0	0	0	117.2
12	N	26.5	Very low	30.6	Very low	154 Å²	154	153.5 Å²	153.5	82%	0.824	85%	0.849	S	S	*	*			trans	-54.9	147.3	173.8	-105.9	0.7	0	0	0	115
13	Q	30	Very low	30.6	Very low	199 Å²	199	155.4 Å²	155.4	93%	0.93	84%	0.844	S	S	*	*			trans	-151.8	133.5	137.6	-116.6	177.2	4.2	0	0	111.2
14	E	28.2	Very low	30.9	Very low	183 Å²	183	161.5 Å²	161.5	86%	0.855	85%	0.848	S	S	*	*			trans	-73.1	144.8	-176.3	-63.2	164.1	142.6	0	0	112.4
15	S	27.9	Very low	30.9	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	84%	0.839	S	S	*	*			trans	-155.2	122.9	138	59.6	0	0	0	0	110.8
16	C	28.3	Very low	31	Very low	126 Å²	126	160 Å²	160	85%	0.851	84%	0.841	S	S	*	*			trans	-65.1	137.4	170.8	-73.1	0	0	0	0	110.9
17	S	30.4	Very low	31.1	Very low	128 Å²	128	154.6 Å²	154.6	90%	0.895	83%	0.833	S	S	*	*			trans	-166.6	130.9	131.4	-82.9	0	0	0	0	111
18	A	33	Very low	31.7	Very low	90 Å²	90	150.7 Å²	150.7	74%	0.744	83%	0.83	S	S	*	*			trans	-71.3	145	-177.8	0	0	0	0	0	112.9
19	N	30.8	Very low	31.9	Very low	170 Å²	170	149.9 Å²	149.9	91%	0.909	83%	0.829	S	S	*	*				174.7	143.7	125.8	-97.7	-18.1	0	0	0	112.8
20	G	30.4	Very low	32.5	Very low	74 Å²	74	149.8 Å²	149.8	76%	0.763	83%	0.831	S	S	*	*			trans	106.9	73	140.9	0	0	0	0	0	117.6
21	Q	33.1	Very low	33.2	Very low	201 Å²	201	148.8 Å²	148.8	94%	0.939	83%	0.826	S	S	*	*			trans	-3.5	134.3	157.2	-77.7	172.6	-13.5	0	0	120.6
22	V	31.3	Very low	34.1	Very low	122 Å²	122	147.3 Å²	147.3	74%	0.739	83%	0.825	S	S	*	*			trans	-93	151.9	-179.3	163.3	0	0	0	0	110.9
23	K	31.7	Very low	35.6	Very low	187 Å²	187	144.2 Å²	144.2	81%	0.813	81%	0.807	S	S	*	*			trans	75.4	99.8	157	-80.1	163	-163.9	-175.5	0	118.4	A25	K23-A25 PolarHBondContact O-N 3.31Å
24	K	35.1	Very low	37.7	Very low	208 Å²	208	139.8 Å²	139.8	90%	0.904	79%	0.789	S	S	*	*			trans	-68.3	89.6	154.3	-144.5	178.7	-168.1	178.3	0	108.6
25	A	33.9	Very low	40	Very low	91 Å²	91	136.1 Å²	136.1	75%	0.752	78%	0.784	S	S	*	*			trans	-87.6	108	162.2	0	0	0	0	0	107.6	K23	K23-A25 PolarHBondContact O-N 3.31Å
26	R	33.5	Very low	43	Very low	228 Å²	228	131 Å²	131	86%	0.86	75%	0.748	S	S	*	*			trans	-97.1	96.5	152.2	-91.1	-173.8	175.8	176.6	-3.7	105.3
27	A	38.4	Very low	46	Very low	82 Å²	82	133.7 Å²	133.7	68%	0.678	74%	0.74	S	S	*	*			trans	-71.6	118.1	156.4	0	0	0	0	0	105.7	E29	A27-E29 PolarHBondContact O-N 2.78Å
28	D	39.8	Very low	48.9	Very low	160 Å²	160	127.8 Å²	127.8	86%	0.856	70%	0.699	S	S	*	*			trans	-66.1	94.6	157.6	-80.3	-37.9	0	0	0	105.9
29	E	34.2	Very low	51.7	Low	172 Å²	172	125.2 Å²	125.2	80%	0.804	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-64	127.7	163.4	-74	-175.5	162.1	0	0	107.3	A27 K31	A27-E29 PolarHBondContact O-N 2.78Å; E29-K31 PolarHBondContact O-N 3.03Å
30	P	41	Very low	54.7	Low	122 Å²	122	120.3 Å²	120.3	79%	0.792	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-60.4	119	172.1	24.5	-30.9	0	0	0	107.6	A32	P30-A32 PolarHBondContact O-N 3.34Å
31	K	48.6	Very low	57.7	Low	180 Å²	180	124.9 Å²	124.9	78%	0.783	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-46.7	117.9	165.1	-117	-179.1	178.1	-175.1	0	106.2	E29 M33	E29-K31 PolarHBondContact O-N 3.03Å; K31-M33 PolarHBondContact O-N 3.19Å
32	A	49.9	Very low	60.6	Low	98 Å²	98	118.1 Å²	118.1	81%	0.81	63%	0.634	S	S	*	*			trans	-56.2	110.8	176.3	0	0	0	0	0	107.3	P30 L34	P30-A32 PolarHBondContact O-N 3.34Å; A32-L34 PolarHBondContact O-N 3.44Å
33	M	59	Low	63.7	Low	89 Å²	89	114.6 Å²	114.6	44%	0.438	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-61	125.3	-179.4	-161.5	170.5	-179.1	0	0	107.1	K31 S35 E56 F206	K31-M33 PolarHBondContact O-N 3.19Å; M33-S35 PolarHBondContact O-N 3.22Å; M33-E56 HydrophobicContact CE-CB 4.16Å; M33-F206 HydrophobicContact CE-CD1 4.35Å; M33-F206 HydrophobicContact CE-CE1 3.36Å; M33-F206 HydrophobicContact CE-CE2 3.93Å; M33-F206 HydrophobicContact CE-CZ 3.09Å
34	L	73.2	Confident	66.7	Low	106 Å²	106	110.9 Å²	110.9	56%	0.555	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-54.1	132.9	174.1	-76.4	159.7	0	0	0	107.5	A32 H60 T203 L204	A32-L34 PolarHBondContact O-N 3.44Å; L34-H60 PolarHBondContact O-CE1 3.03Å; L34-H60 PolarHBondContact O-NE2 2.72Å; L34-H60 VanDerWaalsContact O-NE2 3.08Å; L34-T203 HydrophobicContact CD1-CG2 3.81Å; L34-L204 HydrophobicContact CB-CD2 4.09Å; L34-L204 HydrophobicContact CD1-CD2 4.44Å
35	S	77.3	Confident	69.6	Low	106 Å²	106	103.6 Å²	103.6	74%	0.741	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-76.1	139.6	176.7	53.6	0	0	0	0	110.4	M33	M33-S35 PolarHBondContact O-N 3.22Å
36	S	89.5	Confident	72.5	Confident	11 Å²	11	99.2 Å²	99.2	8%	0.077	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-66	151.8	172.4	161.2	0	0	0	0	111.1	V38 Y59 H60 D63	S36-V38 PolarHBondContact O-N 3.37Å; S36-V38 PolarHBondContact OG-N 2.9Å; S36-V38 VanDerWaalsContact OG-N 3.16Å; S36-Y59 VanDerWaalsContact OG-CB 3.31Å; S36-Y59 WeakPolarHBondContact OG-CB 3.32Å; S36-Y59 PolarHBondContact OG-O 2.85Å; S36-H60 PolarHBondContact N-CE1 3.31Å; S36-D63 VanDerWaalsContact CA-OD2 3.29Å; S36-D63 WeakPolarHBondContact CA-OD2 3.47Å; S36-D63 VanDerWaalsContact CB-OD2 3.24Å; S36-D63 WeakPolarHBondContact CB-OD2 3.41Å; S36-D63 PolarHBondContact OG-OD2 3.24Å
37	R	91	Very high	75.5	Confident	182 Å²	182	89.4 Å²	89.4	69%	0.687	50%	0.498	S	S	*	.	S	Bend	trans	-74.6	-6.2	176.6	-51.8	-177.2	-175.7	154.9	13.9	113.2	G39 D63 E67	R37-G39 PolarHBondContact O-N 3.41Å; R37-D63 PolarHBondContact N-OD2 3.27Å; R37-E67 IonicContact CZ-OE1 3.33Å; R37-E67 IonicContact NH1-OE1 3.37Å; R37-E67 PolarHBondContact NH1-OE1 2.73Å; R37-E67 IonicContact NH2-OE1 3.48Å; R37-E67 PolarHBondContact NH2-OE1 3.04Å
38	V	92.2	Very high	78.2	Confident	4 Å²	4	93.4 Å²	93.4	2%	0.024	50%	0.502	C	S	.	.	S	Bend	trans	-71	115.9	173.4	-178.7	0	0	0	0	109.3	S36 Q42 R43 Y59 L92	S36-V38 PolarHBondContact O-N 3.37Å; S36-V38 PolarHBondContact OG-N 2.9Å; S36-V38 VanDerWaalsContact OG-N 3.16Å; V38-Q42 HydrophobicContact CG1-CB 3.9Å; V38-R43 HydrophobicContact CG1-CG 3.96Å; V38-R43 PolarHBondContact O-NE 2.91Å; V38-Y59 HydrophobicContact CB-CD1 4.06Å; V38-Y59 HydrophobicContact CB-CG 4.38Å; V38-Y59 HydrophobicContact CG1-CD1 3.88Å; V38-Y59 HydrophobicContact CG1-CE1 4.28Å; V38-Y59 HydrophobicContact CG2-CD1 4.17Å; V38-L92 HydrophobicContact CG1-CD2 3.88Å
39	G	92.4	Very high	80.9	Confident	37 Å²	37	87.9 Å²	87.9	38%	0.381	47%	0.472	S	S	.	.			trans	-71.2	159.5	-176.7	0	0	0	0	0	113.5	R37 E41 Q42 R43	R37-G39 PolarHBondContact O-N 3.41Å; G39-E41 VanDerWaalsContact C-N 3.32Å; G39-E41 PolarHBondContact O-N 2.92Å; G39-Q42 PolarHBondContact O-N 2.93Å; G39-R43 WeakPolarHBondContact O-CG 3.4Å; G39-R43 PolarHBondContact O-N 3.18Å
40	A	92.8	Very high	83.9	Confident	67 Å²	67	79.9 Å²	79.9	55%	0.554	44%	0.435	S	S	*	.	H	α-helix	trans	-55.1	-42.8	-175.8	0	0	0	0	0	113.2	Q42 R43 D44	A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 3.03Å; A40-R43 WeakPolarHBondContact O-CB 3.13Å; A40-R43 PolarHBondContact O-N 3.49Å; A40-D44 PolarHBondContact O-N 3.39Å
41	E	93.4	Very high	86.5	Confident	170 Å²	170	76.1 Å²	76.1	79%	0.794	42%	0.418	S	S	*	.	H	α-helix	trans	-57	-41.4	-179.9	-64.3	178.8	177.5	0	0	113	G39 D44 E45	G39-E41 VanDerWaalsContact C-N 3.32Å; G39-E41 PolarHBondContact O-N 2.92Å; E41-D44 PolarHBondContact O-N 3.18Å; E41-E45 WeakPolarHBondContact O-CB 3.3Å; E41-E45 PolarHBondContact O-N 3.36Å
42	Q	94.1	Very high	88.6	Confident	59 Å²	59	67.9 Å²	67.9	28%	0.276	38%	0.382	S	S	.	.	H	α-helix	trans	-72.1	-32	178.1	-64.4	-172.6	-79.3	0	0	112.2	V38 G39 A40 L46 L92	V38-Q42 HydrophobicContact CG1-CB 3.9Å; G39-Q42 PolarHBondContact O-N 2.93Å; A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 3.03Å; Q42-L46 PolarHBondContact O-N 2.91Å; Q42-L46 VanDerWaalsContact O-N 3.08Å; Q42-L92 HydrophobicContact CB-CD2 4.31Å
43	R	96.3	Very high	90.6	Very high	47 Å²	47	69.8 Å²	69.8	18%	0.177	37%	0.374	C	S	.	.	H	α-helix	trans	-69.1	-42.3	175.5	-59.1	-177.2	-177.9	-141	-2.1	110.5	V38 G39 A40 L46 A47 E56 Y59	V38-R43 HydrophobicContact CG1-CG 3.96Å; V38-R43 PolarHBondContact O-NE 2.91Å; G39-R43 WeakPolarHBondContact O-CG 3.4Å; G39-R43 PolarHBondContact O-N 3.18Å; A40-R43 WeakPolarHBondContact O-CB 3.13Å; A40-R43 PolarHBondContact O-N 3.49Å; R43-L46 PolarHBondContact O-N 2.92Å; R43-A47 WeakPolarHBondContact O-CB 3.2Å; R43-A47 PolarHBondContact O-N 3.48Å; R43-E56 IonicContact CZ-OE1 3.92Å; R43-E56 IonicContact CZ-OE2 2.77Å; R43-E56 IonicContact NH1-OE1 3.89Å; R43-E56 PolarHBondContact NH1-OE1 2.58Å; R43-E56 IonicContact NH1-OE2 2.83Å; R43-E56 PolarHBondContact NH1-OE2 2.98Å; R43-E56 IonicContact NH2-OE2 2.97Å; R43-E56 PolarHBondContact NH2-OE2 3.16Å; R43-Y59 HydrophobicContact CB-CE1 4.44Å; R43-Y59 HydrophobicContact CG-CD1 4.37Å; R43-Y59 HydrophobicContact CG-CE1 3.81Å; R43-Y59 HydrophobicContact CG-CE2 4.1Å
44	D	95.5	Very high	92.4	Very high	109 Å²	109	66 Å²	66	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-66.6	-41.1	176.7	-67.8	-17.5	0	0	0	111.1	A40 E41 L46 A47 Q48	A40-D44 PolarHBondContact O-N 3.39Å; E41-D44 PolarHBondContact O-N 3.18Å; D44-L46 PolarHBondContact O-N 3.12Å; D44-A47 PolarHBondContact O-N 2.87Å; D44-Q48 WeakPolarHBondContact O-CB 3.44Å; D44-Q48 PolarHBondContact O-N 3.29Å
45	E	95.3	Very high	93.6	Very high	55 Å²	55	61.5 Å²	61.5	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-57.3	-49.4	172.9	-178.6	179.6	-160.2	0	0	111.1	E41 A47 Q48 L49 N96	E41-E45 WeakPolarHBondContact O-CB 3.3Å; E41-E45 PolarHBondContact O-N 3.36Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 3.28Å; E45-Q48 PolarHBondContact O-N 3.03Å; E45-L49 HydrophobicContact CG-CD1 3.93Å; E45-L49 HydrophobicContact CG-CG 4.34Å; E45-L49 WeakPolarHBondContact O-CB 3.49Å; E45-L49 VanDerWaalsContact O-CG 3.27Å; E45-L49 WeakPolarHBondContact O-CG 3.38Å; E45-L49 PolarHBondContact O-N 3.43Å; E45-N96 PolarHBondContact OE1-ND2 3.32Å
46	L	96	Very high	94.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-44.4	175.8	-85.9	170.2	0	0	0	112.5	Q42 R43 D44 Q48 L49 Y50 M54 L58 Y59 P88 I91 L92	Q42-L46 PolarHBondContact O-N 2.91Å; Q42-L46 VanDerWaalsContact O-N 3.08Å; R43-L46 PolarHBondContact O-N 2.92Å; D44-L46 PolarHBondContact O-N 3.12Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-Q48 PolarHBondContact O-N 3.28Å; L46-L49 PolarHBondContact O-N 3.32Å; L46-Y50 HydrophobicContact CD2-CD2 4.01Å; L46-Y50 HydrophobicContact CD2-CE2 3.96Å; L46-Y50 WeakPolarHBondContact O-CB 3.48Å; L46-Y50 PolarHBondContact O-N 3.2Å; L46-M54 HydrophobicContact CD1-CG 4.5Å; L46-L58 HydrophobicContact CD1-CD2 4.49Å; L46-Y59 HydrophobicContact CD1-CE1 3.78Å; L46-P88 HydrophobicContact CD2-CB 3.72Å; L46-I91 HydrophobicContact CD2-CB 3.73Å; L46-I91 HydrophobicContact CD2-CG1 3.94Å; L46-I91 HydrophobicContact CD2-CG2 3.95Å; L46-I91 HydrophobicContact CG-CG2 4.32Å; L46-L92 HydrophobicContact CD1-CD1 4.34Å; L46-L92 HydrophobicContact CD1-CD2 3.64Å; L46-L92 HydrophobicContact CD1-CG 3.89Å
47	A	95.6	Very high	95	Very high	22 Å²	22	59.8 Å²	59.8	18%	0.182	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-38.4	179.2	0	0	0	0	0	111.9	R43 D44 E45 G51 F52	R43-A47 WeakPolarHBondContact O-CB 3.2Å; R43-A47 PolarHBondContact O-N 3.48Å; D44-A47 PolarHBondContact O-N 2.87Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 3.28Å; A47-G51 WeakPolarHBondContact O-CA 3.42Å; A47-G51 PolarHBondContact O-N 2.87Å; A47-F52 WeakPolarHBondContact CA-O 3.07Å
48	Q	96	Very high	95.3	Very high	165 Å²	165	51.1 Å²	51.1	77%	0.771	28%	0.279	S	S	*	.	H	α-helix	trans	-69.1	-45.2	176.5	-173.8	179.5	6.3	0	0	112.2	D44 E45 L46	D44-Q48 WeakPolarHBondContact O-CB 3.44Å; D44-Q48 PolarHBondContact O-N 3.29Å; E45-Q48 PolarHBondContact O-N 3.03Å; L46-Q48 VanDerWaalsContact C-N 3.31Å; L46-Q48 PolarHBondContact O-N 3.28Å
49	L	95.7	Very high	95.6	Very high	45 Å²	45	51.3 Å²	51.3	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-35.9	-177	-69.4	179	0	0	0	113	E45 L46 I91 F106	E45-L49 HydrophobicContact CG-CD1 3.93Å; E45-L49 HydrophobicContact CG-CG 4.34Å; E45-L49 WeakPolarHBondContact O-CB 3.49Å; E45-L49 VanDerWaalsContact O-CG 3.27Å; E45-L49 WeakPolarHBondContact O-CG 3.38Å; E45-L49 PolarHBondContact O-N 3.43Å; L46-L49 PolarHBondContact O-N 3.32Å; L49-I91 HydrophobicContact CD1-CD1 4.31Å; L49-I91 HydrophobicContact CD1-CG1 4.5Å; L49-I91 HydrophobicContact CD1-CG2 3.81Å; L49-F106 HydrophobicContact CB-CD2 4.17Å; L49-F106 HydrophobicContact CB-CE2 4.49Å; L49-F106 HydrophobicContact CB-CG 4.33Å; L49-F106 HydrophobicContact CD1-CE1 4.22Å; L49-F106 HydrophobicContact CD1-CE2 4.34Å; L49-F106 HydrophobicContact CD1-CZ 4.07Å; L49-F106 HydrophobicContact CD2-CD2 4Å; L49-F106 HydrophobicContact CD2-CE2 3.57Å; L49-F106 HydrophobicContact CD2-CZ 4.03Å; L49-F106 HydrophobicContact CG-CE2 4.34Å
50	Y	96.1	Very high	95.9	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-102	-9.7	-178.3	-78.6	-74.1	0	0	0	114.3	L46 F52 M54 P88 I91 F106 H107	L46-Y50 HydrophobicContact CD2-CD2 4.01Å; L46-Y50 HydrophobicContact CD2-CE2 3.96Å; L46-Y50 WeakPolarHBondContact O-CB 3.48Å; L46-Y50 PolarHBondContact O-N 3.2Å; Y50-F52 WeakPolarHBondContact O-CD2 3.25Å; Y50-F52 VanDerWaalsContact O-CE2 3.3Å; Y50-F52 WeakPolarHBondContact O-CE2 3.3Å; Y50-F52 PolarHBondContact O-N 3.42Å; Y50-M54 HydrophobicContact CD2-CE 3.83Å; Y50-M54 HydrophobicContact CG-CE 3.89Å; Y50-P88 HydrophobicContact CE2-CB 3.98Å; Y50-I91 HydrophobicContact CE2-CG1 4.05Å; Y50-F106 HydrophobicContact CD1-CB 4.27Å; Y50-F106 HydrophobicContact CE1-CB 3.98Å; Y50-F106 WeakPolarHBondContact CE1-O 3.46Å; Y50-H107 PolarHBondContact O-CE1 2.9Å
51	G	95.8	Very high	96.2	Very high	43 Å²	43	46.7 Å²	46.7	44%	0.443	24%	0.237	S	C	.	.	S	Bend	trans	63.8	16.5	-174.2	0	0	0	0	0	114.6	A47 L329	A47-G51 WeakPolarHBondContact O-CA 3.42Å; A47-G51 PolarHBondContact O-N 2.87Å; G51-L329 WeakPolarHBondContact O-CD2 3.47Å
52	F	92.5	Very high	96.5	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	20%	0.201	C	C	.	.	S	Bend	trans	-134.2	148.1	179	-48.2	-63.2	0	0	0	111.6	A47 Y50 M54 P140 L329 F330 I333	A47-F52 WeakPolarHBondContact CA-O 3.07Å; Y50-F52 WeakPolarHBondContact O-CD2 3.25Å; Y50-F52 VanDerWaalsContact O-CE2 3.3Å; Y50-F52 WeakPolarHBondContact O-CE2 3.3Å; Y50-F52 PolarHBondContact O-N 3.42Å; F52-M54 HydrophobicContact CB-CE 4.47Å; F52-P140 HydrophobicContact CD1-CB 4.06Å; F52-P140 HydrophobicContact CE1-CB 3.65Å; F52-L329 HydrophobicContact CD1-CD2 3.79Å; F52-L329 HydrophobicContact CE1-CD2 3.28Å; F52-L329 HydrophobicContact CE1-CG 4.02Å; F52-L329 HydrophobicContact CE2-CD2 4.45Å; F52-L329 HydrophobicContact CZ-CD2 3.65Å; F52-L329 HydrophobicContact CZ-CG 4.09Å; F52-F330 HydrophobicContact CE1-CD1 4.33Å; F52-F330 AromaticContact CE1-CE1 3.74Å; F52-F330 HydrophobicContact CE1-CE1 3.74Å; F52-F330 HydrophobicContact CZ-CD1 4.26Å; F52-F330 AromaticContact CZ-CE1 3.82Å; F52-F330 HydrophobicContact CZ-CE1 3.82Å; F52-I333 HydrophobicContact CE2-CD1 4.14Å; F52-I333 HydrophobicContact CZ-CD1 3.63Å
53	H	93.9	Very high	96.6	Very high	139 Å²	139	36.8 Å²	36.8	64%	0.644	19%	0.19	S	C	*	.	P	Polyproline II helix	trans	-74.4	135.3	163.1	-61.8	90	0	0	0	110.3	R137 L143	H53-R137 PolarHBondContact O-NH2 3.08Å; H53-R137 VanDerWaalsContact O-NH2 3.14Å; H53-L143 HydrophobicContact CB-CD2 4.27Å
54	M	96.7	Very high	96.7	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.044	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-88.1	143.6	170.9	-57.6	-60.5	154.8	0	0	110.1	L46 Y50 F52 L58 Y59 P88 Q120 R137	L46-M54 HydrophobicContact CD1-CG 4.5Å; Y50-M54 HydrophobicContact CD2-CE 3.83Å; Y50-M54 HydrophobicContact CG-CE 3.89Å; F52-M54 HydrophobicContact CB-CE 4.47Å; M54-L58 HydrophobicContact CB-CB 4.49Å; M54-L58 HydrophobicContact CB-CD1 4.31Å; M54-L58 HydrophobicContact CB-CD2 4.14Å; M54-L58 HydrophobicContact CG-CD1 4.27Å; M54-L58 HydrophobicContact CG-CD2 4.4Å; M54-L58 HydrophobicContact SD-CD1 4.2Å; M54-Y59 HydrophobicContact CB-CE1 4.38Å; M54-Y59 HydrophobicContact CB-CE2 4.23Å; M54-P88 HydrophobicContact CE-CB 4.49Å; M54-P88 HydrophobicContact SD-CB 4.48Å; M54-Q120 VanDerWaalsContact CE-NE2 3.34Å; M54-R137 PolarHBondContact SD-NH2 3.28Å
55	P	97.4	Very high	96.9	Very high	12 Å²	12	29.7 Å²	29.7	8%	0.078	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-74.3	158.1	178.2	35.3	-39.1	0	0	0	111.8	D57 L58 Y135 L143 P144	P55-D57 WeakPolarHBondContact CB-OD1 3.4Å; P55-D57 WeakPolarHBondContact CG-OD1 3.39Å; P55-D57 PolarHBondContact O-N 3.39Å; P55-L58 WeakPolarHBondContact O-CB 3.27Å; P55-L58 PolarHBondContact O-N 3.33Å; P55-L58 VanDerWaalsContact O-N 3.13Å; P55-Y135 HydrophobicContact CG-CD1 4.45Å; P55-Y135 HydrophobicContact CG-CE1 3.86Å; P55-Y135 HydrophobicContact CG-CE2 3.94Å; P55-L143 HydrophobicContact CB-CD2 4.25Å; P55-P144 HydrophobicContact CG-CG 4.06Å
56	E	97.6	Very high	97	Very high	72 Å²	72	30 Å²	30	34%	0.336	16%	0.156	S	C	.	.	H	α-helix	trans	-61.5	-30.5	-176.5	-71.2	-57.9	133	0	0	113.5	M33 R43 L58 Y59 H60	M33-E56 HydrophobicContact CE-CB 4.16Å; R43-E56 IonicContact CZ-OE1 3.92Å; R43-E56 IonicContact CZ-OE2 2.77Å; R43-E56 IonicContact NH1-OE1 3.89Å; R43-E56 PolarHBondContact NH1-OE1 2.58Å; R43-E56 IonicContact NH1-OE2 2.83Å; R43-E56 PolarHBondContact NH1-OE2 2.98Å; R43-E56 IonicContact NH2-OE2 2.97Å; R43-E56 PolarHBondContact NH2-OE2 3.16Å; E56-L58 PolarHBondContact O-N 2.6Å; E56-Y59 PolarHBondContact O-N 3.5Å; E56-Y59 VanDerWaalsContact O-N 3.16Å; E56-H60 PolarHBondContact O-CD2 3.34Å; E56-H60 PolarHBondContact O-N 3.16Å
57	D	98.4	Very high	97	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.043	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-30.2	177.8	64.7	-53.8	0	0	0	112.2	P55 F61 Y135 N164 I165 F166 F206	P55-D57 WeakPolarHBondContact CB-OD1 3.4Å; P55-D57 WeakPolarHBondContact CG-OD1 3.39Å; P55-D57 PolarHBondContact O-N 3.39Å; D57-F61 WeakPolarHBondContact O-CB 3.38Å; D57-F61 PolarHBondContact O-N 3.36Å; D57-Y135 PolarHBondContact OD1-OH 3.45Å; D57-Y135 PolarHBondContact OD2-OH 2.64Å; D57-N164 HydrophobicContact CB-CB 3.92Å; D57-N164 WeakPolarHBondContact OD2-CA 3.43Å; D57-N164 WeakPolarHBondContact OD2-CB 3.47Å; D57-I165 HydrophobicContact CB-CG2 4.22Å; D57-I165 PolarHBondContact OD2-N 3.32Å; D57-F166 HydrophobicContact CB-CD2 4.43Å; D57-F206 VanDerWaalsContact CA-CZ 3.41Å; D57-F206 HydrophobicContact CB-CD1 4.28Å; D57-F206 HydrophobicContact CB-CD2 4.48Å; D57-F206 HydrophobicContact CB-CE1 3.68Å; D57-F206 HydrophobicContact CB-CE2 3.89Å; D57-F206 HydrophobicContact CB-CZ 3.44Å; D57-F206 VanDerWaalsContact CB-CZ 3.44Å
58	L	98.6	Very high	97.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-49.6	173.3	178.4	139.9	0	0	0	111.2	L46 M54 P55 E56 F61 W62 P88 F89 L92 Y135	L46-L58 HydrophobicContact CD1-CD2 4.49Å; M54-L58 HydrophobicContact CB-CB 4.49Å; M54-L58 HydrophobicContact CB-CD1 4.31Å; M54-L58 HydrophobicContact CB-CD2 4.14Å; M54-L58 HydrophobicContact CG-CD1 4.27Å; M54-L58 HydrophobicContact CG-CD2 4.4Å; M54-L58 HydrophobicContact SD-CD1 4.2Å; P55-L58 WeakPolarHBondContact O-CB 3.27Å; P55-L58 PolarHBondContact O-N 3.33Å; P55-L58 VanDerWaalsContact O-N 3.13Å; E56-L58 PolarHBondContact O-N 2.6Å; L58-F61 PolarHBondContact O-N 2.76Å; L58-W62 PolarHBondContact O-N 3.41Å; L58-P88 HydrophobicContact CD1-CB 3.98Å; L58-P88 HydrophobicContact CD1-CG 3.62Å; L58-F89 HydrophobicContact CD1-CZ 4.24Å; L58-F89 HydrophobicContact CD2-CE1 4.4Å; L58-F89 HydrophobicContact CG-CE1 3.91Å; L58-F89 HydrophobicContact CG-CZ 3.86Å; L58-F89 WeakPolarHBondContact O-CE1 3.46Å; L58-L92 HydrophobicContact CD2-CD1 3.94Å; L58-Y135 HydrophobicContact CB-CE2 4.11Å; L58-Y135 HydrophobicContact CD1-CE2 3.77Å; L58-Y135 PolarHBondContact N-OH 3.39Å
59	Y	98.4	Very high	97.1	Very high	9 Å²	9	29.9 Å²	29.9	4%	0.035	16%	0.157	C	C	.	.	H	α-helix	trans	-70.2	-38.3	-177.2	-53.6	-59.9	0	0	0	111.9	S36 V38 R43 L46 M54 E56 W62 D63 L92	S36-Y59 VanDerWaalsContact OG-CB 3.31Å; S36-Y59 WeakPolarHBondContact OG-CB 3.32Å; S36-Y59 PolarHBondContact OG-O 2.85Å; V38-Y59 HydrophobicContact CB-CD1 4.06Å; V38-Y59 HydrophobicContact CB-CG 4.38Å; V38-Y59 HydrophobicContact CG1-CD1 3.88Å; V38-Y59 HydrophobicContact CG1-CE1 4.28Å; V38-Y59 HydrophobicContact CG2-CD1 4.17Å; R43-Y59 HydrophobicContact CB-CE1 4.44Å; R43-Y59 HydrophobicContact CG-CD1 4.37Å; R43-Y59 HydrophobicContact CG-CE1 3.81Å; R43-Y59 HydrophobicContact CG-CE2 4.1Å; L46-Y59 HydrophobicContact CD1-CE1 3.78Å; M54-Y59 HydrophobicContact CB-CE1 4.38Å; M54-Y59 HydrophobicContact CB-CE2 4.23Å; E56-Y59 PolarHBondContact O-N 3.5Å; E56-Y59 VanDerWaalsContact O-N 3.16Å; Y59-W62 WeakPolarHBondContact O-CB 3.38Å; Y59-W62 PolarHBondContact O-N 3.38Å; Y59-D63 PolarHBondContact O-N 3.06Å; Y59-L92 HydrophobicContact CD1-CD1 4.45Å
60	H	98.5	Very high	97.1	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-37.3	173.9	-77.5	-57.2	0	0	0	113.2	L34 S36 E56 W62 D63 F64 F166 L204 F206	L34-H60 PolarHBondContact O-CE1 3.03Å; L34-H60 PolarHBondContact O-NE2 2.72Å; L34-H60 VanDerWaalsContact O-NE2 3.08Å; S36-H60 PolarHBondContact N-CE1 3.31Å; E56-H60 PolarHBondContact O-CD2 3.34Å; E56-H60 PolarHBondContact O-N 3.16Å; H60-W62 VanDerWaalsContact C-N 3.31Å; H60-D63 PolarHBondContact O-N 3.1Å; H60-F64 WeakPolarHBondContact O-CB 3.31Å; H60-F64 PolarHBondContact O-N 3.26Å; H60-F166 HydrophobicContact CB-CE2 4.03Å; H60-F166 HydrophobicContact CB-CZ 4.22Å; H60-L204 HydrophobicContact CB-CD1 3.65Å; H60-F206 HydrophobicContact CB-CE2 4.12Å
61	F	98.7	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-34.9	175.4	-165.2	-99.5	0	0	0	111.4	D57 L58 F64 C65 L85 F89 I165 F166 V169 L197	D57-F61 WeakPolarHBondContact O-CB 3.38Å; D57-F61 PolarHBondContact O-N 3.36Å; L58-F61 PolarHBondContact O-N 2.76Å; F61-F64 HydrophobicContact CD2-CD1 4.29Å; F61-F64 HydrophobicContact CE2-CD1 4.08Å; F61-F64 HydrophobicContact CE2-CE1 4.4Å; F61-F64 WeakPolarHBondContact O-CB 3.45Å; F61-F64 PolarHBondContact O-N 3.44Å; F61-C65 VanDerWaalsContact CE1-SG 3.57Å; F61-C65 WeakPolarHBondContact O-CB 3.45Å; F61-C65 PolarHBondContact O-N 3.42Å; F61-C65 PolarHBondContact O-SG 3.17Å; F61-L85 HydrophobicContact CD1-CD2 4.03Å; F61-L85 HydrophobicContact CE1-CD1 4.07Å; F61-L85 HydrophobicContact CE1-CD2 4.02Å; F61-L85 HydrophobicContact CE1-CG 4.14Å; F61-F89 HydrophobicContact CD1-CZ 4.07Å; F61-I165 HydrophobicContact CB-CD1 4.43Å; F61-I165 HydrophobicContact CB-CG2 3.46Å; F61-I165 VanDerWaalsContact CB-CG2 3.46Å; F61-I165 HydrophobicContact CD1-CD1 3.49Å; F61-I165 VanDerWaalsContact CD1-CD1 3.49Å; F61-I165 HydrophobicContact CD1-CG1 4.11Å; F61-I165 HydrophobicContact CD1-CG2 4.31Å; F61-I165 HydrophobicContact CD2-CG1 4.43Å; F61-I165 HydrophobicContact CD2-CG2 3.91Å; F61-I165 HydrophobicContact CE1-CD1 3.85Å; F61-I165 HydrophobicContact CE1-CG1 4.3Å; F61-I165 HydrophobicContact CG-CD1 3.94Å; F61-I165 HydrophobicContact CG-CG1 4.18Å; F61-I165 HydrophobicContact CG-CG2 3.64Å; F61-F166 HydrophobicContact CB-CD2 4.48Å; F61-F166 HydrophobicContact CB-CE2 3.86Å; F61-F166 HydrophobicContact CB-CZ 4.05Å; F61-F166 AromaticContact CD2-CD1 3.92Å; F61-F166 HydrophobicContact CD2-CD1 3.92Å; F61-F166 HydrophobicContact CD2-CD2 4.12Å; F61-F166 AromaticContact CD2-CE1 3.8Å; F61-F166 HydrophobicContact CD2-CE1 3.8Å; F61-F166 HydrophobicContact CD2-CE2 4.01Å; F61-F166 HydrophobicContact CD2-CG 4.07Å; F61-F166 AromaticContact CD2-CZ 3.85Å; F61-F166 HydrophobicContact CD2-CZ 3.85Å; F61-F166 HydrophobicContact CE2-CD1 4.36Å; F61-F166 HydrophobicContact CE2-CE1 4.47Å; F61-F166 HydrophobicContact CG-CE2 4.46Å; F61-F166 HydrophobicContact CG-CZ 4.45Å; F61-V169 HydrophobicContact CE1-CG2 4.4Å; F61-V169 HydrophobicContact CE2-CB 4.32Å; F61-V169 HydrophobicContact CE2-CG1 4.47Å; F61-V169 HydrophobicContact CE2-CG2 4.09Å; F61-V169 HydrophobicContact CZ-CB 4.25Å; F61-V169 HydrophobicContact CZ-CG1 4.22Å; F61-V169 HydrophobicContact CZ-CG2 3.68Å; F61-L197 HydrophobicContact CE2-CD2 4Å
62	W	98.5	Very high	97.1	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.045	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-46.5	169.8	179.9	-118.1	0	0	0	112.4	L58 Y59 H60 F64 C65 K66 P73 L85 F89 L92 A93	L58-W62 PolarHBondContact O-N 3.41Å; Y59-W62 WeakPolarHBondContact O-CB 3.38Å; Y59-W62 PolarHBondContact O-N 3.38Å; H60-W62 VanDerWaalsContact C-N 3.31Å; W62-F64 VanDerWaalsContact C-N 3.34Å; W62-F64 PolarHBondContact O-N 3.21Å; W62-C65 PolarHBondContact O-N 2.9Å; W62-K66 VanDerWaalsContact CD1-CE 3.46Å; W62-K66 HydrophobicContact CD2-CG 4.49Å; W62-K66 HydrophobicContact CZ2-CD 4.39Å; W62-K66 HydrophobicContact CZ2-CG 4.36Å; W62-K66 PolarHBondContact O-N 2.93Å; W62-P73 HydrophobicContact CE3-CB 4.14Å; W62-P73 HydrophobicContact CH2-CB 3.59Å; W62-P73 HydrophobicContact CH2-CG 3.92Å; W62-P73 HydrophobicContact CZ2-CB 4.15Å; W62-P73 HydrophobicContact CZ2-CG 4.2Å; W62-P73 HydrophobicContact CZ3-CB 3.58Å; W62-P73 HydrophobicContact CZ3-CG 4.42Å; W62-L85 HydrophobicContact CE3-CD2 4.22Å; W62-F89 HydrophobicContact CB-CD1 4.22Å; W62-F89 HydrophobicContact CB-CE1 3.96Å; W62-F89 HydrophobicContact CD2-CD1 4.36Å; W62-F89 HydrophobicContact CE3-CB 4.49Å; W62-F89 AromaticContact CE3-CD1 3.68Å; W62-F89 HydrophobicContact CE3-CD1 3.68Å; W62-F89 HydrophobicContact CE3-CE1 4.39Å; W62-F89 HydrophobicContact CE3-CG 4.49Å; W62-F89 HydrophobicContact CZ3-CB 4.4Å; W62-F89 HydrophobicContact CZ3-CD1 4.39Å; W62-L92 HydrophobicContact CB-CD1 3.95Å; W62-L92 HydrophobicContact CD2-CB 4.08Å; W62-L92 HydrophobicContact CD2-CD1 4.14Å; W62-L92 HydrophobicContact CG-CB 4.43Å; W62-L92 HydrophobicContact CG-CD1 3.78Å; W62-L92 HydrophobicContact CZ2-CB 4.06Å; W62-A93 HydrophobicContact CH2-CB 3.9Å
63	D	98.1	Very high	97.3	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-43.2	176.4	-70.3	-31.2	0	0	0	112.1	S36 R37 Y59 H60 C65 K66 E67	S36-D63 VanDerWaalsContact CA-OD2 3.29Å; S36-D63 WeakPolarHBondContact CA-OD2 3.47Å; S36-D63 VanDerWaalsContact CB-OD2 3.24Å; S36-D63 WeakPolarHBondContact CB-OD2 3.41Å; S36-D63 PolarHBondContact OG-OD2 3.24Å; R37-D63 PolarHBondContact N-OD2 3.27Å; Y59-D63 PolarHBondContact O-N 3.06Å; H60-D63 PolarHBondContact O-N 3.1Å; D63-C65 PolarHBondContact O-N 2.97Å; D63-K66 PolarHBondContact O-N 3.46Å; D63-K66 WeakPolarHBondContact OD1-CE 3.13Å; D63-K66 IonicContact OD1-NZ 2.73Å; D63-K66 PolarHBondContact OD1-NZ 3.27Å; D63-E67 WeakPolarHBondContact O-CG 3.3Å; D63-E67 PolarHBondContact O-N 3.48Å
64	F	98.3	Very high	97.5	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-47.1	173.7	174.2	-103	0	0	0	111.9	H60 F61 W62 K66 E67 L68 F166 L193 K196 L197 Q200	H60-F64 WeakPolarHBondContact O-CB 3.31Å; H60-F64 PolarHBondContact O-N 3.26Å; F61-F64 HydrophobicContact CD2-CD1 4.29Å; F61-F64 HydrophobicContact CE2-CD1 4.08Å; F61-F64 HydrophobicContact CE2-CE1 4.4Å; F61-F64 WeakPolarHBondContact O-CB 3.45Å; F61-F64 PolarHBondContact O-N 3.44Å; W62-F64 VanDerWaalsContact C-N 3.34Å; W62-F64 PolarHBondContact O-N 3.21Å; F64-K66 PolarHBondContact O-N 3.25Å; F64-E67 PolarHBondContact O-N 3.47Å; F64-L68 HydrophobicContact CD1-CD1 3.97Å; F64-L68 HydrophobicContact CE1-CD1 3.36Å; F64-L68 HydrophobicContact CE1-CG 4.17Å; F64-L68 HydrophobicContact CE2-CD1 4.43Å; F64-L68 HydrophobicContact CE2-CG 4.49Å; F64-L68 HydrophobicContact CZ-CD1 3.64Å; F64-L68 HydrophobicContact CZ-CD2 4.36Å; F64-L68 HydrophobicContact CZ-CG 4.15Å; F64-L68 WeakPolarHBondContact O-CG 3.46Å; F64-L68 PolarHBondContact O-N 3.25Å; F64-F166 HydrophobicContact CB-CE1 4.27Å; F64-F166 HydrophobicContact CB-CZ 4.29Å; F64-F166 HydrophobicContact CD1-CE1 4.45Å; F64-F166 HydrophobicContact CG-CE1 4.19Å; F64-L193 HydrophobicContact CE1-CD1 4.31Å; F64-L193 HydrophobicContact CZ-CD1 4.12Å; F64-K196 HydrophobicContact CE2-CB 3.94Å; F64-K196 HydrophobicContact CZ-CB 4.13Å; F64-L197 HydrophobicContact CD1-CD2 4.25Å; F64-L197 HydrophobicContact CE1-CD2 3.46Å; F64-L197 VanDerWaalsContact CE1-CD2 3.46Å; F64-L197 HydrophobicContact CE1-CG 4.04Å; F64-L197 HydrophobicContact CZ-CD2 3.65Å; F64-L197 HydrophobicContact CZ-CG 3.8Å; F64-Q200 HydrophobicContact CB-CG 4.46Å; F64-Q200 HydrophobicContact CD2-CB 4.02Å; F64-Q200 HydrophobicContact CD2-CG 3.86Å; F64-Q200 HydrophobicContact CE2-CB 4.23Å; F64-Q200 HydrophobicContact CG-CG 4.46Å
65	C	98.4	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-34.4	177.8	-73.7	0	0	0	0	113.2	F61 W62 D63 E67 L68 S69 P73 A76 L85	F61-C65 VanDerWaalsContact CE1-SG 3.57Å; F61-C65 WeakPolarHBondContact O-CB 3.45Å; F61-C65 PolarHBondContact O-N 3.42Å; F61-C65 PolarHBondContact O-SG 3.17Å; W62-C65 PolarHBondContact O-N 2.9Å; D63-C65 PolarHBondContact O-N 2.97Å; C65-E67 VanDerWaalsContact C-N 3.31Å; C65-E67 PolarHBondContact O-N 2.91Å; C65-L68 PolarHBondContact O-N 3.14Å; C65-S69 PolarHBondContact O-N 3.39Å; C65-P73 HydrophobicContact CB-CB 4.27Å; C65-A76 HydrophobicContact CB-CB 3.84Å; C65-L85 HydrophobicContact CB-CD2 4.12Å
66	K	97.6	Very high	97.5	Very high	62 Å²	62	37.2 Å²	37.2	27%	0.27	20%	0.203	S	C	.	.	H	α-helix	trans	-64.4	-34.5	172	-78.4	-176.8	-62.3	-175.7	0	112.3	W62 D63 F64 S69 P70 P73	W62-K66 VanDerWaalsContact CD1-CE 3.46Å; W62-K66 HydrophobicContact CD2-CG 4.49Å; W62-K66 HydrophobicContact CZ2-CD 4.39Å; W62-K66 HydrophobicContact CZ2-CG 4.36Å; W62-K66 PolarHBondContact O-N 2.93Å; D63-K66 PolarHBondContact O-N 3.46Å; D63-K66 WeakPolarHBondContact OD1-CE 3.13Å; D63-K66 IonicContact OD1-NZ 2.73Å; D63-K66 PolarHBondContact OD1-NZ 3.27Å; F64-K66 PolarHBondContact O-N 3.25Å; K66-S69 CarbonylContact O-C 3.54Å; K66-P70 VanDerWaalsContact O-CA 3.25Å; K66-P70 WeakPolarHBondContact O-CA 3.39Å; K66-P70 WeakPolarHBondContact O-CD 3.45Å; K66-P70 WeakPolarHBondContact O-CG 3.47Å; K66-P73 HydrophobicContact CB-CG 4.39Å; K66-P73 HydrophobicContact CG-CB 3.86Å; K66-P73 HydrophobicContact CG-CG 3.59Å
67	E	96.9	Very high	97.5	Very high	100 Å²	100	33.8 Å²	33.8	47%	0.467	19%	0.187	S	C	.	.	H	α-helix	trans	-72.8	-33.7	175.3	-70.6	179.8	172.5	0	0	112.2	R37 D63 F64 C65	R37-E67 IonicContact CZ-OE1 3.33Å; R37-E67 IonicContact NH1-OE1 3.37Å; R37-E67 PolarHBondContact NH1-OE1 2.73Å; R37-E67 IonicContact NH2-OE1 3.48Å; R37-E67 PolarHBondContact NH2-OE1 3.04Å; D63-E67 WeakPolarHBondContact O-CG 3.3Å; D63-E67 PolarHBondContact O-N 3.48Å; F64-E67 PolarHBondContact O-N 3.47Å; C65-E67 VanDerWaalsContact C-N 3.31Å; C65-E67 PolarHBondContact O-N 2.91Å
68	L	96.6	Very high	97.4	Very high	50 Å²	50	38 Å²	38	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-71.4	-41.4	175.2	-70	-177.6	0	0	0	113.1	F64 C65 A76 V77 L193 K196	F64-L68 HydrophobicContact CD1-CD1 3.97Å; F64-L68 HydrophobicContact CE1-CD1 3.36Å; F64-L68 HydrophobicContact CE1-CG 4.17Å; F64-L68 HydrophobicContact CE2-CD1 4.43Å; F64-L68 HydrophobicContact CE2-CG 4.49Å; F64-L68 HydrophobicContact CZ-CD1 3.64Å; F64-L68 HydrophobicContact CZ-CD2 4.36Å; F64-L68 HydrophobicContact CZ-CG 4.15Å; F64-L68 WeakPolarHBondContact O-CG 3.46Å; F64-L68 PolarHBondContact O-N 3.25Å; C65-L68 PolarHBondContact O-N 3.14Å; L68-A76 HydrophobicContact CB-CB 4.13Å; L68-V77 HydrophobicContact CD1-CG1 4.26Å; L68-L193 HydrophobicContact CD1-CD1 3.83Å; L68-K196 HydrophobicContact CD2-CD 3.63Å
69	S	96.7	Very high	97.2	Very high	34 Å²	34	45.4 Å²	45.4	24%	0.238	25%	0.245	C	C	.	.			trans	-147.1	85.6	-174.6	179.2	0	0	0	0	109.5	C65 K66 D71 N72 P73	C65-S69 PolarHBondContact O-N 3.39Å; K66-S69 CarbonylContact O-C 3.54Å; S69-D71 VanDerWaalsContact C-N 3.29Å; S69-D71 PolarHBondContact O-N 3.01Å; S69-N72 WeakPolarHBondContact CB-O 3.18Å; S69-N72 CarbonylContact O-C 3.47Å; S69-N72 VanDerWaalsContact O-C 3.27Å; S69-N72 PolarHBondContact O-N 3.35Å; S69-N72 PolarHBondContact OG-O 2.99Å; S69-P73 WeakPolarHBondContact O-CA 3.31Å; S69-P73 WeakPolarHBondContact O-CD 3.46Å; S69-P73 WeakPolarHBondContact O-CG 3.07Å; S69-P73 VanDerWaalsContact O-N 3.13Å
70	P	94.9	Very high	97	Very high	95 Å²	95	46.9 Å²	46.9	62%	0.617	26%	0.255	S	S	*	.	S	Bend	trans	-59.1	-37.7	-176.2	-25.5	33.9	0	0	0	113.7	K66	K66-P70 VanDerWaalsContact O-CA 3.25Å; K66-P70 WeakPolarHBondContact O-CA 3.39Å; K66-P70 WeakPolarHBondContact O-CD 3.45Å; K66-P70 WeakPolarHBondContact O-CG 3.47Å
71	D	95.1	Very high	96.8	Very high	166 Å²	166	46.8 Å²	46.8	89%	0.888	25%	0.254	S	S	*	.	S	Bend	trans	-80.9	-24.9	-176.2	-59.9	-40.8	0	0	0	113	S69	S69-D71 VanDerWaalsContact C-N 3.29Å; S69-D71 PolarHBondContact O-N 3.01Å
72	N	96.3	Very high	96.7	Very high	90 Å²	90	48.5 Å²	48.5	48%	0.481	27%	0.272	S	S	.	.			trans	-146	76.7	178.2	-178.9	15.6	0	0	0	111.1	S69 C74 G75 A76	S69-N72 WeakPolarHBondContact CB-O 3.18Å; S69-N72 CarbonylContact O-C 3.47Å; S69-N72 VanDerWaalsContact O-C 3.27Å; S69-N72 PolarHBondContact O-N 3.35Å; S69-N72 PolarHBondContact OG-O 2.99Å; N72-C74 VanDerWaalsContact C-N 3.32Å; N72-C74 PolarHBondContact O-N 3.29Å; N72-G75 PolarHBondContact O-N 2.95Å; N72-G75 PolarHBondContact OD1-N 3.3Å; N72-G75 VanDerWaalsContact OD1-N 3.12Å; N72-A76 PolarHBondContact O-N 3.1Å
73	P	97.4	Very high	96.7	Very high	18 Å²	18	48 Å²	48	12%	0.117	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-66.6	-33.6	-178	-20.1	32.2	0	0	0	112.3	W62 C65 K66 S69 G75 A76	W62-P73 HydrophobicContact CE3-CB 4.14Å; W62-P73 HydrophobicContact CH2-CB 3.59Å; W62-P73 HydrophobicContact CH2-CG 3.92Å; W62-P73 HydrophobicContact CZ2-CB 4.15Å; W62-P73 HydrophobicContact CZ2-CG 4.2Å; W62-P73 HydrophobicContact CZ3-CB 3.58Å; W62-P73 HydrophobicContact CZ3-CG 4.42Å; C65-P73 HydrophobicContact CB-CB 4.27Å; K66-P73 HydrophobicContact CB-CG 4.39Å; K66-P73 HydrophobicContact CG-CB 3.86Å; K66-P73 HydrophobicContact CG-CG 3.59Å; S69-P73 WeakPolarHBondContact O-CA 3.31Å; S69-P73 WeakPolarHBondContact O-CD 3.46Å; S69-P73 WeakPolarHBondContact O-CG 3.07Å; S69-P73 VanDerWaalsContact O-N 3.13Å; P73-G75 PolarHBondContact O-N 3.13Å; P73-A76 WeakPolarHBondContact O-CB 3.38Å; P73-A76 PolarHBondContact O-N 3.01Å; P73-A76 VanDerWaalsContact O-N 3.1Å
74	C	97.7	Very high	96.7	Very high	10 Å²	10	49.4 Å²	49.4	7%	0.068	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63.9	-30.7	178.4	-64.7	0	0	0	0	112.9	N72 L85	N72-C74 VanDerWaalsContact C-N 3.32Å; N72-C74 PolarHBondContact O-N 3.29Å; C74-L85 HydrophobicContact CB-CB 4.39Å; C74-L85 PolarHBondContact O-N 2.97Å
75	G	97.6	Very high	96.7	Very high	12 Å²	12	49.1 Å²	49.1	12%	0.124	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-89.6	1.5	175.7	0	0	0	0	0	115.1	N72 P73 V77 K78	N72-G75 PolarHBondContact O-N 2.95Å; N72-G75 PolarHBondContact OD1-N 3.3Å; N72-G75 VanDerWaalsContact OD1-N 3.12Å; P73-G75 PolarHBondContact O-N 3.13Å; G75-V77 PolarHBondContact O-N 3.25Å; G75-K78 VanDerWaalsContact O-CB 3.31Å; G75-K78 WeakPolarHBondContact O-CB 3.47Å; G75-K78 PolarHBondContact O-N 3.48Å
76	A	97.7	Very high	96.7	Very high	21 Å²	21	49.1 Å²	49.1	17%	0.174	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.9	-166.5	0	0	0	0	0	115	C65 L68 N72 P73	C65-A76 HydrophobicContact CB-CB 3.84Å; L68-A76 HydrophobicContact CB-CB 4.13Å; N72-A76 PolarHBondContact O-N 3.1Å; P73-A76 WeakPolarHBondContact O-CB 3.38Å; P73-A76 PolarHBondContact O-N 3.01Å; P73-A76 VanDerWaalsContact O-N 3.1Å
77	V	97	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	11.2	-180	-62.3	0	0	0	0	113.2	L68 G75 L81 L83 L85 L193	L68-V77 HydrophobicContact CD1-CG1 4.26Å; G75-V77 PolarHBondContact O-N 3.25Å; V77-L81 HydrophobicContact CB-CD1 4.21Å; V77-L81 HydrophobicContact CB-CG 4.45Å; V77-L81 WeakPolarHBondContact O-CA 3.49Å; V77-L81 WeakPolarHBondContact O-CB 3.24Å; V77-L81 PolarHBondContact O-N 2.99Å; V77-L83 CarbonylContact C-O 3.53Å; V77-L83 HydrophobicContact CG2-CB 4.17Å; V77-L85 HydrophobicContact CG2-CD1 4.03Å; V77-L193 HydrophobicContact CG1-CD1 4.22Å; V77-L193 HydrophobicContact CG1-CD2 4.11Å
78	K	96.4	Very high	96.8	Very high	98 Å²	98	41.4 Å²	41.4	43%	0.426	24%	0.24	S	C	.	.	H	α-helix	trans	-68.2	-49.4	-174.8	-172.7	174	-179.3	167.7	0	112.4	G75 G82 L83 Q84	G75-K78 VanDerWaalsContact O-CB 3.31Å; G75-K78 WeakPolarHBondContact O-CB 3.47Å; G75-K78 PolarHBondContact O-N 3.48Å; K78-G82 WeakPolarHBondContact O-CA 3.29Å; K78-G82 PolarHBondContact O-N 2.86Å; K78-L83 WeakPolarHBondContact CA-O 3.2Å; K78-L83 PolarHBondContact N-O 3.26Å; K78-L83 VanDerWaalsContact N-O 3.13Å; K78-Q84 HydrophobicContact CD-CB 4.44Å; K78-Q84 VanDerWaalsContact NZ-OE1 3.11Å
79	D	93.3	Very high	96.8	Very high	155 Å²	155	39 Å²	39	83%	0.829	23%	0.228	S	C	*	.	H	α-helix	trans	-68.9	-40.7	-177	-62.1	-20.1	0	0	0	111
80	T	94.1	Very high	96.8	Very high	39 Å²	39	38.3 Å²	38.3	24%	0.239	22%	0.222	C	C	.	.	H	α-helix	trans	-75	-43.8	-178	-50.2	0	0	0	0	112.6	K176 A189 L190 L193	T80-K176 WeakPolarHBondContact O-CE 3.33Å; T80-K176 PolarHBondContact O-NZ 2.89Å; T80-A189 HydrophobicContact CG2-CB 4.45Å; T80-L190 HydrophobicContact CG2-CD2 3.72Å; T80-L190 HydrophobicContact CG2-CG 4.18Å; T80-L193 HydrophobicContact CG2-CB 4.41Å; T80-L193 HydrophobicContact CG2-CD2 3.74Å
81	L	95.9	Very high	96.9	Very high	4 Å²	4	34 Å²	34	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-111.7	-12.9	-171.9	-61.5	-176.1	0	0	0	114.5	V77 L83 V169 H172 L173 K176 L190 L193	V77-L81 HydrophobicContact CB-CD1 4.21Å; V77-L81 HydrophobicContact CB-CG 4.45Å; V77-L81 WeakPolarHBondContact O-CA 3.49Å; V77-L81 WeakPolarHBondContact O-CB 3.24Å; V77-L81 PolarHBondContact O-N 2.99Å; L81-L83 HydrophobicContact CB-CB 4.31Å; L81-L83 HydrophobicContact CB-CD1 4.28Å; L81-L83 HydrophobicContact CB-CG 4.12Å; L81-L83 HydrophobicContact CD1-CD1 4.5Å; L81-V169 HydrophobicContact CD1-CG1 3.51Å; L81-H172 PolarHBondContact O-NE2 3.44Å; L81-L173 HydrophobicContact CD1-CB 4.41Å; L81-L173 HydrophobicContact CD2-CB 3.85Å; L81-L173 HydrophobicContact CD2-CD1 4.21Å; L81-L173 HydrophobicContact CD2-CG 3.95Å; L81-K176 VanDerWaalsContact CA-NZ 3.32Å; L81-K176 HydrophobicContact CD2-CD 4.22Å; L81-K176 PolarHBondContact O-NZ 3.39Å; L81-L190 HydrophobicContact CD2-CD2 3.62Å; L81-L193 HydrophobicContact CD1-CD2 3.72Å; L81-L193 HydrophobicContact CD2-CD2 4.21Å; L81-L193 HydrophobicContact CG-CD2 3.75Å
82	G	96.3	Very high	96.9	Very high	36 Å²	36	26.6 Å²	26.6	37%	0.371	15%	0.153	S	C	.	.	S	Bend	trans	69.5	22.7	-170.6	0	0	0	0	0	112.2	K78 G125	K78-G82 WeakPolarHBondContact O-CA 3.29Å; K78-G82 PolarHBondContact O-N 2.86Å; G82-G125 WeakPolarHBondContact O-CA 3.43Å
83	L	98.3	Very high	96.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.153	C	C	.	.			trans	-115.3	138.3	-179.3	-64.3	-179	0	0	0	110.4	V77 K78 L81 K124 M133 H172	V77-L83 CarbonylContact C-O 3.53Å; V77-L83 HydrophobicContact CG2-CB 4.17Å; K78-L83 WeakPolarHBondContact CA-O 3.2Å; K78-L83 PolarHBondContact N-O 3.26Å; K78-L83 VanDerWaalsContact N-O 3.13Å; L81-L83 HydrophobicContact CB-CB 4.31Å; L81-L83 HydrophobicContact CB-CD1 4.28Å; L81-L83 HydrophobicContact CB-CG 4.12Å; L81-L83 HydrophobicContact CD1-CD1 4.5Å; L83-K124 CarbonylContact C-O 3.57Å; L83-K124 WeakPolarHBondContact CA-O 3.36Å; L83-M133 HydrophobicContact CD1-CE 4.33Å; L83-H172 HydrophobicContact CD1-CB 4.38Å; L83-H172 VanDerWaalsContact CD1-CD2 3.44Å; L83-H172 WeakPolarHBondContact CD1-CD2 3.42Å
84	Q	98.4	Very high	96.6	Very high	40 Å²	40	25.1 Å²	25.1	19%	0.187	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.9	176.1	176.8	176.6	-15.6	0	0	109	K78 V86 L123 K124	K78-Q84 HydrophobicContact CD-CB 4.44Å; K78-Q84 VanDerWaalsContact NZ-OE1 3.11Å; Q84-V86 HydrophobicContact CG-CG1 4.26Å; Q84-L123 CarbonylContact O-C 3.27Å; Q84-L123 WeakPolarHBondContact O-CA 3.39Å; Q84-K124 HydrophobicContact CB-CG 3.87Å; Q84-K124 VanDerWaalsContact CD-CE 3.44Å; Q84-K124 HydrophobicContact CG-CG 4.47Å; Q84-K124 PolarHBondContact N-O 3.09Å; Q84-K124 PolarHBondContact O-N 3.25Å
85	L	98.7	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.3	173.6	-69.4	65.2	0	0	0	108.8	F61 W62 C65 C74 V77 F89 L123	F61-L85 HydrophobicContact CD1-CD2 4.03Å; F61-L85 HydrophobicContact CE1-CD1 4.07Å; F61-L85 HydrophobicContact CE1-CD2 4.02Å; F61-L85 HydrophobicContact CE1-CG 4.14Å; W62-L85 HydrophobicContact CE3-CD2 4.22Å; C65-L85 HydrophobicContact CB-CD2 4.12Å; C74-L85 HydrophobicContact CB-CB 4.39Å; C74-L85 PolarHBondContact O-N 2.97Å; V77-L85 HydrophobicContact CG2-CD1 4.03Å; L85-F89 HydrophobicContact CB-CB 3.75Å; L85-F89 HydrophobicContact CB-CD2 3.62Å; L85-F89 HydrophobicContact CB-CE2 4.31Å; L85-F89 HydrophobicContact CB-CG 3.74Å; L85-F89 HydrophobicContact CD2-CB 4.41Å; L85-F89 HydrophobicContact CD2-CD1 3.78Å; L85-F89 HydrophobicContact CD2-CD2 3.99Å; L85-F89 HydrophobicContact CD2-CE1 3.92Å; L85-F89 HydrophobicContact CD2-CE2 4.1Å; L85-F89 HydrophobicContact CD2-CG 3.81Å; L85-F89 HydrophobicContact CD2-CZ 4.08Å; L85-F89 HydrophobicContact CG-CD2 3.9Å; L85-F89 HydrophobicContact CG-CE2 4.09Å; L85-F89 HydrophobicContact CG-CG 4.14Å; L85-L123 HydrophobicContact CB-CD2 4.47Å; L85-L123 HydrophobicContact CD1-CD2 3.89Å; L85-L123 HydrophobicContact CG-CD2 3.89Å
86	V	98.3	Very high	95.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.172	C	C	.	.			trans	-146.9	178.4	-175.4	-68.9	0	0	0	0	110.8	Q84 P88 F89 D90 W110 T121 I122 K124	Q84-V86 HydrophobicContact CG-CG1 4.26Å; V86-P88 WeakPolarHBondContact O-CD 3.19Å; V86-F89 PolarHBondContact O-N 2.98Å; V86-D90 VanDerWaalsContact CA-OD2 3.3Å; V86-D90 WeakPolarHBondContact CA-OD2 3.37Å; V86-W110 HydrophobicContact CB-CD2 4.14Å; V86-W110 HydrophobicContact CB-CG 3.94Å; V86-W110 HydrophobicContact CG1-CD2 4.25Å; V86-W110 HydrophobicContact CG1-CZ2 4.09Å; V86-W110 HydrophobicContact CG2-CB 4.36Å; V86-W110 HydrophobicContact CG2-CD2 4.34Å; V86-W110 HydrophobicContact CG2-CG 4.01Å; V86-T121 HydrophobicContact CG2-CG2 3.98Å; V86-I122 PolarHBondContact N-O 3.49Å; V86-K124 HydrophobicContact CG1-CB 4.3Å; V86-K124 HydrophobicContact CG1-CD 3.83Å; V86-K124 HydrophobicContact CG1-CG 3.72Å; V86-K124 HydrophobicContact CG2-CB 4.13Å; V86-K124 HydrophobicContact CG2-CG 4.44Å
87	G	97.4	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-117.6	173.4	0	0	0	0	0	110.4	F89 D90	G87-F89 PolarHBondContact O-N 3.44Å; G87-F89 VanDerWaalsContact O-N 3.14Å; G87-D90 PolarHBondContact N-OD2 3.05Å; G87-D90 WeakPolarHBondContact O-CB 3.42Å; G87-D90 PolarHBondContact O-N 3.3Å
88	P	97.8	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-25.9	176.7	25.5	-34.5	0	0	0	113.2	L46 Y50 M54 L58 V86 I91 L92 I122	L46-P88 HydrophobicContact CD2-CB 3.72Å; Y50-P88 HydrophobicContact CE2-CB 3.98Å; M54-P88 HydrophobicContact CE-CB 4.49Å; M54-P88 HydrophobicContact SD-CB 4.48Å; L58-P88 HydrophobicContact CD1-CB 3.98Å; L58-P88 HydrophobicContact CD1-CG 3.62Å; V86-P88 WeakPolarHBondContact O-CD 3.19Å; P88-I91 WeakPolarHBondContact O-CB 3.36Å; P88-I91 PolarHBondContact O-N 2.85Å; P88-L92 PolarHBondContact O-N 2.91Å; P88-L92 VanDerWaalsContact O-N 3.16Å; P88-I122 HydrophobicContact CG-CG2 3.78Å
89	F	98.3	Very high	93.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.4	-28.7	174.5	-65.7	-66.8	0	0	0	113.4	L58 F61 W62 L85 V86 G87 I91 L92 A93 I122 I165	L58-F89 HydrophobicContact CD1-CZ 4.24Å; L58-F89 HydrophobicContact CD2-CE1 4.4Å; L58-F89 HydrophobicContact CG-CE1 3.91Å; L58-F89 HydrophobicContact CG-CZ 3.86Å; L58-F89 WeakPolarHBondContact O-CE1 3.46Å; F61-F89 HydrophobicContact CD1-CZ 4.07Å; W62-F89 HydrophobicContact CB-CD1 4.22Å; W62-F89 HydrophobicContact CB-CE1 3.96Å; W62-F89 HydrophobicContact CD2-CD1 4.36Å; W62-F89 HydrophobicContact CE3-CB 4.49Å; W62-F89 AromaticContact CE3-CD1 3.68Å; W62-F89 HydrophobicContact CE3-CD1 3.68Å; W62-F89 HydrophobicContact CE3-CE1 4.39Å; W62-F89 HydrophobicContact CE3-CG 4.49Å; W62-F89 HydrophobicContact CZ3-CB 4.4Å; W62-F89 HydrophobicContact CZ3-CD1 4.39Å; L85-F89 HydrophobicContact CB-CB 3.75Å; L85-F89 HydrophobicContact CB-CD2 3.62Å; L85-F89 HydrophobicContact CB-CE2 4.31Å; L85-F89 HydrophobicContact CB-CG 3.74Å; L85-F89 HydrophobicContact CD2-CB 4.41Å; L85-F89 HydrophobicContact CD2-CD1 3.78Å; L85-F89 HydrophobicContact CD2-CD2 3.99Å; L85-F89 HydrophobicContact CD2-CE1 3.92Å; L85-F89 HydrophobicContact CD2-CE2 4.1Å; L85-F89 HydrophobicContact CD2-CG 3.81Å; L85-F89 HydrophobicContact CD2-CZ 4.08Å; L85-F89 HydrophobicContact CG-CD2 3.9Å; L85-F89 HydrophobicContact CG-CE2 4.09Å; L85-F89 HydrophobicContact CG-CG 4.14Å; V86-F89 PolarHBondContact O-N 2.98Å; G87-F89 PolarHBondContact O-N 3.44Å; G87-F89 VanDerWaalsContact O-N 3.14Å; F89-I91 PolarHBondContact O-N 3.08Å; F89-L92 HydrophobicContact CD1-CD1 4.06Å; F89-L92 PolarHBondContact O-N 3.46Å; F89-A93 WeakPolarHBondContact O-CB 3.4Å; F89-A93 PolarHBondContact O-N 3.07Å; F89-I122 HydrophobicContact CD2-CB 4.4Å; F89-I122 WeakPolarHBondContact CD2-O 3.42Å; F89-I122 HydrophobicContact CE2-CB 4.02Å; F89-I165 HydrophobicContact CE2-CD1 3.73Å; F89-I165 HydrophobicContact CZ-CD1 3.73Å
90	D	96.8	Very high	93.2	Very high	20 Å²	20	39 Å²	39	11%	0.107	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-33.8	174.2	-66.3	-41	0	0	0	110.5	V86 G87 A93 G94 A95 H109 W110 L349	V86-D90 VanDerWaalsContact CA-OD2 3.3Å; V86-D90 WeakPolarHBondContact CA-OD2 3.37Å; G87-D90 PolarHBondContact N-OD2 3.05Å; G87-D90 WeakPolarHBondContact O-CB 3.42Å; G87-D90 PolarHBondContact O-N 3.3Å; D90-A93 PolarHBondContact O-N 2.92Å; D90-G94 PolarHBondContact O-N 3.18Å; D90-A95 HydrophobicContact CB-CB 4.16Å; D90-A95 WeakPolarHBondContact O-CB 3.47Å; D90-A95 PolarHBondContact O-N 3.31Å; D90-H109 IonicContact OD2-CE1 3.1Å; D90-H109 IonicContact OD2-NE2 2.72Å; D90-H109 PolarHBondContact OD2-NE2 3.13Å; D90-W110 PolarHBondContact OD2-NE1 2.72Å; D90-L349 HydrophobicContact CB-CD1 4.06Å
91	I	95.8	Very high	92.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-45.2	173.2	-45.3	-54.4	0	0	0	111.1	L46 L49 Y50 P88 F89 A93 G94 N96 F106 L349	L46-I91 HydrophobicContact CD2-CB 3.73Å; L46-I91 HydrophobicContact CD2-CG1 3.94Å; L46-I91 HydrophobicContact CD2-CG2 3.95Å; L46-I91 HydrophobicContact CG-CG2 4.32Å; L49-I91 HydrophobicContact CD1-CD1 4.31Å; L49-I91 HydrophobicContact CD1-CG1 4.5Å; L49-I91 HydrophobicContact CD1-CG2 3.81Å; Y50-I91 HydrophobicContact CE2-CG1 4.05Å; P88-I91 WeakPolarHBondContact O-CB 3.36Å; P88-I91 PolarHBondContact O-N 2.85Å; F89-I91 PolarHBondContact O-N 3.08Å; I91-A93 PolarHBondContact O-N 3.2Å; I91-G94 WeakPolarHBondContact O-CA 3.49Å; I91-G94 PolarHBondContact O-N 3Å; I91-N96 HydrophobicContact CD1-CB 3.74Å; I91-F106 HydrophobicContact CD1-CD1 3.67Å; I91-F106 HydrophobicContact CD1-CE1 3.39Å; I91-F106 HydrophobicContact CD1-CZ 4.48Å; I91-L349 HydrophobicContact CD1-CD1 4.38Å
92	L	96.2	Very high	92	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-29.6	175.6	-68.8	178.4	0	0	0	112.6	V38 Q42 L46 L58 Y59 W62 P88 F89 G94	V38-L92 HydrophobicContact CG1-CD2 3.88Å; Q42-L92 HydrophobicContact CB-CD2 4.31Å; L46-L92 HydrophobicContact CD1-CD1 4.34Å; L46-L92 HydrophobicContact CD1-CD2 3.64Å; L46-L92 HydrophobicContact CD1-CG 3.89Å; L58-L92 HydrophobicContact CD2-CD1 3.94Å; Y59-L92 HydrophobicContact CD1-CD1 4.45Å; W62-L92 HydrophobicContact CB-CD1 3.95Å; W62-L92 HydrophobicContact CD2-CB 4.08Å; W62-L92 HydrophobicContact CD2-CD1 4.14Å; W62-L92 HydrophobicContact CG-CB 4.43Å; W62-L92 HydrophobicContact CG-CD1 3.78Å; W62-L92 HydrophobicContact CZ2-CB 4.06Å; P88-L92 PolarHBondContact O-N 2.91Å; P88-L92 VanDerWaalsContact O-N 3.16Å; F89-L92 HydrophobicContact CD1-CD1 4.06Å; F89-L92 PolarHBondContact O-N 3.46Å; L92-G94 VanDerWaalsContact C-N 3.26Å
93	A	95.2	Very high	91.5	Very high	56 Å²	56	49.9 Å²	49.9	46%	0.463	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.1	171.9	0	0	0	0	0	113.7	W62 F89 D90 I91	W62-A93 HydrophobicContact CH2-CB 3.9Å; F89-A93 WeakPolarHBondContact O-CB 3.4Å; F89-A93 PolarHBondContact O-N 3.07Å; D90-A93 PolarHBondContact O-N 2.92Å; I91-A93 PolarHBondContact O-N 3.2Å
94	G	92.4	Very high	91.1	Very high	22 Å²	22	50.9 Å²	50.9	23%	0.227	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	15.9	178.9	0	0	0	0	0	114.9	D90 I91 L92 N96 R97	D90-G94 PolarHBondContact O-N 3.18Å; I91-G94 WeakPolarHBondContact O-CA 3.49Å; I91-G94 PolarHBondContact O-N 3Å; L92-G94 VanDerWaalsContact C-N 3.26Å; G94-N96 PolarHBondContact O-N 3.16Å; G94-R97 WeakPolarHBondContact O-CB 3.27Å; G94-R97 PolarHBondContact O-N 2.98Å
95	A	89.9	Confident	90.9	Very high	44 Å²	44	51.2 Å²	51.2	36%	0.364	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21.6	-177.6	0	0	0	0	0	113.2	D90 R97 L349	D90-A95 HydrophobicContact CB-CB 4.16Å; D90-A95 WeakPolarHBondContact O-CB 3.47Å; D90-A95 PolarHBondContact O-N 3.31Å; A95-R97 VanDerWaalsContact C-N 3.29Å; A95-R97 PolarHBondContact O-N 3.36Å; A95-L349 HydrophobicContact CB-CD1 3.84Å
96	N	87.8	Confident	90.8	Very high	22 Å²	22	52.4 Å²	52.4	12%	0.118	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-77	-7.7	177.2	68.1	-43.6	0	0	0	114.5	E45 I91 G94 P99 F106	E45-N96 PolarHBondContact OE1-ND2 3.32Å; I91-N96 HydrophobicContact CD1-CB 3.74Å; G94-N96 PolarHBondContact O-N 3.16Å; N96-P99 WeakPolarHBondContact O-CD 3.36Å; N96-F106 HydrophobicContact CB-CE1 4.02Å; N96-F106 HydrophobicContact CB-CZ 4.13Å
97	R	86.7	Confident	90.7	Very high	174 Å²	174	54.1 Å²	54.1	66%	0.657	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-77.9	-28.6	-176.7	-64.8	-179.8	178.6	-172.1	-2.1	113.8	G94 A95	G94-R97 WeakPolarHBondContact O-CB 3.27Å; G94-R97 PolarHBondContact O-N 2.98Å; A95-R97 VanDerWaalsContact C-N 3.29Å; A95-R97 PolarHBondContact O-N 3.36Å
98	N	80.4	Confident	90.6	Very high	154 Å²	154	54.8 Å²	54.8	82%	0.824	29%	0.294	S	S	*	.	S	Bend	trans	-137	62.8	176.9	-69.8	-47.7	0	0	0	109.7
99	P	80.3	Confident	90.6	Very high	43 Å²	43	55.1 Å²	55.1	28%	0.279	30%	0.295	S	S	.	.			trans	-70.5	144.7	-177.5	33.1	-33.9	0	0	0	109.4	N96 N101 P104 L349	N96-P99 WeakPolarHBondContact O-CD 3.36Å; P99-N101 VanDerWaalsContact C-N 3.3Å; P99-N101 VanDerWaalsContact CB-O 3.3Å; P99-N101 WeakPolarHBondContact CB-O 3.33Å; P99-N101 VanDerWaalsContact CG-O 3.32Å; P99-N101 WeakPolarHBondContact CG-O 3.47Å; P99-P104 HydrophobicContact CB-CG 4.45Å; P99-L349 HydrophobicContact CB-CD2 4.26Å
100	K	82.9	Confident	90.5	Very high	150 Å²	150	56.5 Å²	56.5	65%	0.652	30%	0.301	S	S	*	.	S	Bend	trans	-70.8	-34	171.7	-69.3	-176.2	179.9	177.2	0	110.9	L349	K100-L349 PolarHBondContact N-O 2.65Å
101	N	83.5	Confident	90.6	Very high	27 Å²	27	56.2 Å²	56.2	14%	0.144	30%	0.298	C	S	.	.	S	Bend	trans	-79	120.2	169.4	-175.4	-10.7	0	0	0	109.7	P99 Q103 P104 Q348 A351	P99-N101 VanDerWaalsContact C-N 3.3Å; P99-N101 VanDerWaalsContact CB-O 3.3Å; P99-N101 WeakPolarHBondContact CB-O 3.33Å; P99-N101 VanDerWaalsContact CG-O 3.32Å; P99-N101 WeakPolarHBondContact CG-O 3.47Å; N101-Q103 VanDerWaalsContact C-N 3.26Å; N101-Q103 PolarHBondContact O-N 2.93Å; N101-Q103 PolarHBondContact OD1-N 3.15Å; N101-Q103 PolarHBondContact OD1-O 3.27Å; N101-P104 HydrophobicContact CB-CB 4.45Å; N101-P104 WeakPolarHBondContact O-CD 3.34Å; N101-Q348 WeakPolarHBondContact CB-O 3.38Å; N101-Q348 PolarHBondContact ND2-O 3.14Å; N101-Q348 VanDerWaalsContact ND2-O 3.17Å; N101-A351 WeakPolarHBondContact CB-O 3.44Å
102	P	80.4	Confident	90.7	Very high	113 Å²	113	56.8 Å²	56.8	73%	0.734	30%	0.3	S	S	*	.	S	Bend	trans	-71	-17.8	-178.7	28.7	-35.4	0	0	0	114.1
103	Q	85.6	Confident	90.8	Very high	167 Å²	167	57.1 Å²	57.1	78%	0.78	30%	0.301	S	S	*	.	S	Bend	trans	-138.3	66.4	-178.3	-69.3	-77.7	-10.8	0	0	109.4	N101 N105	N101-Q103 VanDerWaalsContact C-N 3.26Å; N101-Q103 PolarHBondContact O-N 2.93Å; N101-Q103 PolarHBondContact OD1-N 3.15Å; N101-Q103 PolarHBondContact OD1-O 3.27Å; Q103-N105 PolarHBondContact O-N 2.94Å
104	P	91.3	Very high	90.9	Very high	23 Å²	23	56.4 Å²	56.4	15%	0.149	29%	0.287	C	S	.	.			trans	-68.3	130.7	-177.2	29.2	-32.6	0	0	0	110.5	P99 N101 F106 Q348 L349	P99-P104 HydrophobicContact CB-CG 4.45Å; N101-P104 HydrophobicContact CB-CB 4.45Å; N101-P104 WeakPolarHBondContact O-CD 3.34Å; P104-F106 HydrophobicContact CB-CZ 4.43Å; P104-F106 HydrophobicContact CG-CE1 4.37Å; P104-F106 HydrophobicContact CG-CE2 3.94Å; P104-F106 HydrophobicContact CG-CZ 3.73Å; P104-F106 PolarHBondContact O-N 3.39Å; P104-Q348 HydrophobicContact CB-CB 4.42Å; P104-L349 HydrophobicContact CB-CD2 3.83Å; P104-L349 HydrophobicContact CG-CD2 4.05Å
105	N	93.7	Very high	91.2	Very high	46 Å²	46	55.4 Å²	55.4	25%	0.246	28%	0.276	C	S	.	.			trans	-87.1	99.8	168.5	-172.4	-28.1	0	0	0	109.2	Q103 H107 L108 H109 S336	Q103-N105 PolarHBondContact O-N 2.94Å; N105-H107 PolarHBondContact O-N 3.38Å; N105-H107 WeakPolarHBondContact OD1-CB 3.46Å; N105-H107 PolarHBondContact OD1-N 2.87Å; N105-L108 HydrophobicContact CB-CB 4.32Å; N105-L108 HydrophobicContact CB-CD1 4.25Å; N105-L108 HydrophobicContact CB-CG 4.12Å; N105-L108 PolarHBondContact O-N 3.42Å; N105-H109 PolarHBondContact O-N 3.04Å; N105-H109 VanDerWaalsContact O-N 3.15Å; N105-S336 PolarHBondContact ND2-OG 3.33Å
106	F	95.2	Very high	91.7	Very high	26 Å²	26	53.3 Å²	53.3	11%	0.114	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.4	-177.6	-65.1	-79.2	0	0	0	113.4	L49 Y50 I91 N96 P104 L108 H109 L349	L49-F106 HydrophobicContact CB-CD2 4.17Å; L49-F106 HydrophobicContact CB-CE2 4.49Å; L49-F106 HydrophobicContact CB-CG 4.33Å; L49-F106 HydrophobicContact CD1-CE1 4.22Å; L49-F106 HydrophobicContact CD1-CE2 4.34Å; L49-F106 HydrophobicContact CD1-CZ 4.07Å; L49-F106 HydrophobicContact CD2-CD2 4Å; L49-F106 HydrophobicContact CD2-CE2 3.57Å; L49-F106 HydrophobicContact CD2-CZ 4.03Å; L49-F106 HydrophobicContact CG-CE2 4.34Å; Y50-F106 HydrophobicContact CD1-CB 4.27Å; Y50-F106 HydrophobicContact CE1-CB 3.98Å; Y50-F106 WeakPolarHBondContact CE1-O 3.46Å; I91-F106 HydrophobicContact CD1-CD1 3.67Å; I91-F106 HydrophobicContact CD1-CE1 3.39Å; I91-F106 HydrophobicContact CD1-CZ 4.48Å; N96-F106 HydrophobicContact CB-CE1 4.02Å; N96-F106 HydrophobicContact CB-CZ 4.13Å; P104-F106 HydrophobicContact CB-CZ 4.43Å; P104-F106 HydrophobicContact CG-CE1 4.37Å; P104-F106 HydrophobicContact CG-CE2 3.94Å; P104-F106 HydrophobicContact CG-CZ 3.73Å; P104-F106 PolarHBondContact O-N 3.39Å; F106-L108 VanDerWaalsContact C-N 3.25Å; F106-L108 PolarHBondContact O-N 2.86Å; F106-H109 WeakPolarHBondContact O-CB 3.33Å; F106-H109 PolarHBondContact O-N 2.85Å; F106-L349 HydrophobicContact CD1-CD2 4.45Å; F106-L349 HydrophobicContact CE1-CD2 3.74Å; F106-L349 HydrophobicContact CZ-CD2 4.34Å
107	H	96.5	Very high	92.2	Very high	35 Å²	35	52.4 Å²	52.4	16%	0.162	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22	175.2	-62.3	-76.6	0	0	0	113.4	Y50 N105 R111 I333	Y50-H107 PolarHBondContact O-CE1 2.9Å; N105-H107 PolarHBondContact O-N 3.38Å; N105-H107 WeakPolarHBondContact OD1-CB 3.46Å; N105-H107 PolarHBondContact OD1-N 2.87Å; H107-R111 PolarHBondContact O-NE 3.34Å; H107-R111 PolarHBondContact O-NH2 2.81Å; H107-I333 HydrophobicContact CB-CD1 4.39Å; H107-I333 HydrophobicContact CB-CG1 3.82Å; H107-I333 HydrophobicContact CB-CG2 4.32Å; H107-I333 VanDerWaalsContact ND1-CD1 3.3Å; H107-I333 WeakPolarHBondContact ND1-CD1 3.42Å; H107-I333 WeakPolarHBondContact ND1-CG1 3.49Å
108	L	96.4	Very high	92.8	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.073	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-12.3	174.3	-55.6	-172	0	0	0	112.5	N105 F106 W110 R111 H337 Q348	N105-L108 HydrophobicContact CB-CB 4.32Å; N105-L108 HydrophobicContact CB-CD1 4.25Å; N105-L108 HydrophobicContact CB-CG 4.12Å; N105-L108 PolarHBondContact O-N 3.42Å; F106-L108 VanDerWaalsContact C-N 3.25Å; F106-L108 PolarHBondContact O-N 2.86Å; L108-W110 PolarHBondContact O-N 3.07Å; L108-W110 VanDerWaalsContact O-N 3.12Å; L108-R111 PolarHBondContact O-N 3.12Å; L108-R111 VanDerWaalsContact O-N 3.07Å; L108-H337 HydrophobicContact CD2-CB 3.86Å; L108-Q348 HydrophobicContact CB-CG 4.01Å
109	H	96.4	Very high	93.6	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.037	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	112.4	177	-174.5	51.6	0	0	0	110.2	D90 N105 F106 R111 D347 Q348	D90-H109 IonicContact OD2-CE1 3.1Å; D90-H109 IonicContact OD2-NE2 2.72Å; D90-H109 PolarHBondContact OD2-NE2 3.13Å; N105-H109 PolarHBondContact O-N 3.04Å; N105-H109 VanDerWaalsContact O-N 3.15Å; F106-H109 WeakPolarHBondContact O-CB 3.33Å; F106-H109 PolarHBondContact O-N 2.85Å; H109-R111 PolarHBondContact O-N 3.39Å; H109-D347 IonicContact CE1-OD1 3.06Å; H109-D347 PolarHBondContact CE1-OD1 3.42Å; H109-D347 IonicContact ND1-OD1 3.69Å; H109-D347 PolarHBondContact ND1-OD1 2.92Å; H109-Q348 HydrophobicContact CB-CB 3.92Å; H109-Q348 HydrophobicContact CB-CG 4.03Å; H109-Q348 PolarHBondContact ND1-N 3.33Å
110	W	97.4	Very high	94.5	Very high	29 Å²	29	35.3 Å²	35.3	11%	0.11	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	23.2	-172.8	-59	106.6	0	0	0	115.3	V86 D90 L108 Y112 T121 K124 L346 D347	V86-W110 HydrophobicContact CB-CD2 4.14Å; V86-W110 HydrophobicContact CB-CG 3.94Å; V86-W110 HydrophobicContact CG1-CD2 4.25Å; V86-W110 HydrophobicContact CG1-CZ2 4.09Å; V86-W110 HydrophobicContact CG2-CB 4.36Å; V86-W110 HydrophobicContact CG2-CD2 4.34Å; V86-W110 HydrophobicContact CG2-CG 4.01Å; D90-W110 PolarHBondContact OD2-NE1 2.72Å; L108-W110 PolarHBondContact O-N 3.07Å; L108-W110 VanDerWaalsContact O-N 3.12Å; W110-Y112 WeakPolarHBondContact O-CD2 3.07Å; W110-Y112 PolarHBondContact O-N 3.44Å; W110-T121 HydrophobicContact CB-CG2 4.04Å; W110-T121 WeakPolarHBondContact O-CB 3.29Å; W110-T121 PolarHBondContact O-OG1 3.12Å; W110-K124 HydrophobicContact CE3-CD 4.31Å; W110-K124 HydrophobicContact CH2-CD 3.8Å; W110-K124 HydrophobicContact CZ2-CD 4.31Å; W110-K124 HydrophobicContact CZ3-CD 3.77Å; W110-L346 HydrophobicContact CE3-CB 4.07Å; W110-L346 PolarHBondContact N-O 2.97Å; W110-D347 HydrophobicContact CH2-CB 4.02Å; W110-D347 HydrophobicContact CZ2-CB 3.72Å
111	R	98.1	Very high	95.3	Very high	14 Å²	14	28.4 Å²	28.4	5%	0.053	14%	0.144	C	C	.	.			trans	-80.6	111.4	171.3	-177	168.6	-67.4	-74.1	-8.7	109.8	H107 L108 H109 D115 P116 F119 H337 L346	H107-R111 PolarHBondContact O-NE 3.34Å; H107-R111 PolarHBondContact O-NH2 2.81Å; L108-R111 PolarHBondContact O-N 3.12Å; L108-R111 VanDerWaalsContact O-N 3.07Å; H109-R111 PolarHBondContact O-N 3.39Å; R111-D115 HydrophobicContact CG-CB 3.89Å; R111-D115 PolarHBondContact NH1-O 2.74Å; R111-P116 PolarHBondContact NH1-O 3.44Å; R111-F119 PolarHBondContact NH1-O 3Å; R111-F119 PolarHBondContact NH2-O 2.86Å; R111-F119 VanDerWaalsContact NH2-O 3.16Å; R111-H337 VanDerWaalsContact CD-CG 3.49Å; R111-H337 WeakPolarHBondContact CD-ND1 3.41Å; R111-L346 WeakPolarHBondContact O-CD2 3.34Å
112	Y	98.3	Very high	96	Very high	14 Å²	14	27.1 Å²	27.1	6%	0.055	14%	0.137	C	C	.	.			trans	-77.1	162.9	177.7	-71.6	-99.6	0	0	0	111.6	W110 Y114 D115 T121 Q130 H132 A152 H337 L346	W110-Y112 WeakPolarHBondContact O-CD2 3.07Å; W110-Y112 PolarHBondContact O-N 3.44Å; Y112-Y114 PolarHBondContact O-N 3.46Å; Y112-Y114 VanDerWaalsContact O-N 3.09Å; Y112-D115 PolarHBondContact N-OD2 3.03Å; Y112-D115 WeakPolarHBondContact O-CB 3.39Å; Y112-D115 PolarHBondContact O-N 3.31Å; Y112-T121 HydrophobicContact CE2-CG2 4.1Å; Y112-Q130 HydrophobicContact CD1-CB 3.86Å; Y112-Q130 HydrophobicContact CD1-CG 4.28Å; Y112-Q130 HydrophobicContact CE1-CB 3.65Å; Y112-Q130 HydrophobicContact CE1-CG 3.97Å; Y112-H132 AromaticContact CD1-ND1 3.78Å; Y112-H132 HydrophobicContact CD2-CB 4.08Å; Y112-H132 AromaticContact CD2-CD2 3.58Å; Y112-H132 AromaticContact CD2-CE1 3.59Å; Y112-H132 AromaticContact CD2-CG 3.42Å; Y112-H132 VanDerWaalsContact CD2-CG 3.42Å; Y112-H132 AromaticContact CD2-ND1 3.44Å; Y112-H132 WeakPolarHBondContact CD2-ND1 3.26Å; Y112-H132 AromaticContact CD2-NE2 3.72Å; Y112-H132 AromaticContact CE1-ND1 3.96Å; Y112-H132 HydrophobicContact CE2-CB 3.52Å; Y112-H132 AromaticContact CE2-CD2 3.92Å; Y112-H132 AromaticContact CE2-CG 3.39Å; Y112-H132 AromaticContact CE2-ND1 3.64Å; Y112-H132 AromaticContact CG-CE1 3.46Å; Y112-H132 VanDerWaalsContact CG-CE1 3.46Å; Y112-H132 AromaticContact CG-ND1 3.52Å; Y112-H132 AromaticContact CG-NE2 3.97Å; Y112-H132 AromaticContact CZ-CG 3.94Å; Y112-H132 AromaticContact CZ-ND1 3.89Å; Y112-A152 HydrophobicContact CD1-CB 3.92Å; Y112-A152 HydrophobicContact CG-CB 4.31Å; Y112-H337 PolarHBondContact O-CE1 3.34Å; Y112-H337 VanDerWaalsContact O-CE1 3.3Å; Y112-H337 PolarHBondContact O-NE2 3.47Å; Y112-L346 HydrophobicContact CD1-CD1 3.39Å; Y112-L346 HydrophobicContact CD2-CD1 3.92Å; Y112-L346 HydrophobicContact CE1-CD1 3.46Å; Y112-L346 VanDerWaalsContact CE1-CD1 3.46Å; Y112-L346 HydrophobicContact CE2-CD1 3.98Å; Y112-L346 HydrophobicContact CG-CD1 3.63Å
113	F	98.3	Very high	96.9	Very high	18 Å²	18	21.8 Å²	21.8	8%	0.079	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-40.7	-176.2	-172.3	-89.5	0	0	0	113.4	G306 R341 H343	F113-G306 VanDerWaalsContact CZ-O 3.31Å; F113-G306 WeakPolarHBondContact CZ-O 3.09Å; F113-R341 HydrophobicContact CD2-CG 3.69Å; F113-R341 HydrophobicContact CE2-CG 3.76Å; F113-R341 HydrophobicContact CG-CG 4.4Å; F113-R341 PolarHBondContact O-NE 3.01Å; F113-R341 PolarHBondContact O-NH2 2.97Å; F113-H343 AromaticContact CD1-CE1 3.85Å; F113-H343 AromaticContact CD2-CD2 3.83Å; F113-H343 AromaticContact CD2-CE1 3.46Å; F113-H343 VanDerWaalsContact CD2-CE1 3.46Å; F113-H343 WeakPolarHBondContact CD2-CE1 3.4Å; F113-H343 AromaticContact CD2-NE2 3.34Å; F113-H343 VanDerWaalsContact CD2-NE2 3.34Å; F113-H343 WeakPolarHBondContact CD2-NE2 3.3Å; F113-H343 AromaticContact CE2-NE2 3.5Å; F113-H343 AromaticContact CG-CE1 3.36Å; F113-H343 WeakPolarHBondContact CG-CE1 3.33Å; F113-H343 AromaticContact CG-ND1 3.94Å; F113-H343 AromaticContact CG-NE2 3.73Å
114	Y	98.3	Very high	97.4	Very high	41 Å²	41	15 Å²	15	16%	0.161	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	8.9	-177.4	-68.6	-66.3	0	0	0	114.5	Y112 P116 A152 C156 C304	Y112-Y114 PolarHBondContact O-N 3.46Å; Y112-Y114 VanDerWaalsContact O-N 3.09Å; Y114-P116 WeakPolarHBondContact O-CD 3.45Å; Y114-A152 HydrophobicContact CD2-CB 4.42Å; Y114-A152 VanDerWaalsContact CD2-O 3.32Å; Y114-A152 WeakPolarHBondContact CD2-O 3.47Å; Y114-A152 VanDerWaalsContact CE2-O 3.26Å; Y114-A152 WeakPolarHBondContact CE2-O 3.3Å; Y114-C156 HydrophobicContact CD1-CB 3.54Å; Y114-C156 HydrophobicContact CE1-CB 4.16Å; Y114-C156 HydrophobicContact CG-CB 3.78Å; Y114-C304 VanDerWaalsContact CE1-O 3.23Å; Y114-C304 WeakPolarHBondContact CE1-O 3.36Å
115	D	98.8	Very high	97.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.068	C	C	.	.			trans	-78.2	108.8	-179.6	-67.6	-1.1	0	0	0	109.8	R111 Y112 F119 T121 H132 F303 H337	R111-D115 HydrophobicContact CG-CB 3.89Å; R111-D115 PolarHBondContact NH1-O 2.74Å; Y112-D115 PolarHBondContact N-OD2 3.03Å; Y112-D115 WeakPolarHBondContact O-CB 3.39Å; Y112-D115 PolarHBondContact O-N 3.31Å; D115-F119 HydrophobicContact CB-CB 4.39Å; D115-F119 HydrophobicContact CB-CD1 4.05Å; D115-T121 PolarHBondContact OD2-OG1 3.08Å; D115-T121 VanDerWaalsContact OD2-OG1 3.11Å; D115-H132 IonicContact OD1-CE1 2.73Å; D115-H132 IonicContact OD1-NE2 2.92Å; D115-H132 PolarHBondContact OD1-NE2 3.47Å; D115-H132 IonicContact OD2-NE2 3.27Å; D115-F303 WeakPolarHBondContact O-CZ 3.39Å; D115-H337 PolarHBondContact O-CE1 3.06Å
116	P	98.8	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.			trans	-69.5	163.7	174.2	38.3	-40.8	0	0	0	109.3	R111 Y114 E118 F119 Y136 I158 I300 F303	R111-P116 PolarHBondContact NH1-O 3.44Å; Y114-P116 WeakPolarHBondContact O-CD 3.45Å; P116-E118 VanDerWaalsContact CB-OE2 3.3Å; P116-E118 WeakPolarHBondContact CB-OE2 3.03Å; P116-E118 PolarHBondContact O-N 2.75Å; P116-F119 HydrophobicContact CG-CB 4.08Å; P116-F119 WeakPolarHBondContact O-CB 3.22Å; P116-F119 PolarHBondContact O-N 2.93Å; P116-Y136 HydrophobicContact CG-CE2 4.37Å; P116-I158 HydrophobicContact CG-CD1 4.11Å; P116-I300 HydrophobicContact CB-CD1 4.13Å; P116-F303 HydrophobicContact CB-CE1 4.16Å
117	P	98.7	Very high	97.6	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.019	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-29.8	-178.4	-29.6	37.8	0	0	0	115.1	F119 Y322 F330 I333 L334	P117-F119 PolarHBondContact O-N 3.35Å; P117-Y322 WeakPolarHBondContact CD-OH 3.31Å; P117-Y322 HydrophobicContact CG-CE2 3.98Å; P117-F330 HydrophobicContact CB-CB 3.61Å; P117-F330 HydrophobicContact CB-CD1 3.96Å; P117-F330 HydrophobicContact CB-CG 3.82Å; P117-F330 WeakPolarHBondContact CB-O 3.45Å; P117-F330 HydrophobicContact CG-CB 4.4Å; P117-F330 WeakPolarHBondContact CG-O 3.42Å; P117-I333 HydrophobicContact CB-CB 4.28Å; P117-I333 HydrophobicContact CB-CG2 4.1Å; P117-I333 HydrophobicContact CG-CG2 4.46Å; P117-L334 HydrophobicContact CG-CB 3.82Å; P117-L334 HydrophobicContact CG-CD1 4.31Å
118	E	98.9	Very high	97.5	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.009	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.2	176.7	-65.5	69	-152.5	0	0	112.6	P116 Y136 R137 Y296 Y322 F330	P116-E118 VanDerWaalsContact CB-OE2 3.3Å; P116-E118 WeakPolarHBondContact CB-OE2 3.03Å; P116-E118 PolarHBondContact O-N 2.75Å; E118-Y136 HydrophobicContact CB-CD1 4.21Å; E118-Y136 HydrophobicContact CB-CD2 4.25Å; E118-Y136 HydrophobicContact CB-CE1 3.84Å; E118-Y136 HydrophobicContact CB-CE2 3.89Å; E118-Y136 HydrophobicContact CB-CG 4.4Å; E118-Y136 HydrophobicContact CG-CE1 4.12Å; E118-Y136 CarbonylContact O-C 3.3Å; E118-Y136 WeakPolarHBondContact O-CA 3.07Å; E118-R137 WeakPolarHBondContact CB-O 3.17Å; E118-R137 WeakPolarHBondContact CG-O 3.2Å; E118-R137 PolarHBondContact O-N 3.26Å; E118-Y296 PolarHBondContact OE1-OH 2.75Å; E118-Y322 VanDerWaalsContact CD-OH 3.31Å; E118-Y322 WeakPolarHBondContact OE1-CE1 3.39Å; E118-Y322 VanDerWaalsContact OE1-CZ 3.23Å; E118-Y322 PolarHBondContact OE1-OH 3.38Å; E118-Y322 PolarHBondContact OE2-OH 3.05Å; E118-F330 HydrophobicContact CG-CD2 4.36Å; E118-F330 HydrophobicContact CG-CE2 3.87Å; E118-F330 HydrophobicContact CG-CZ 4.36Å
119	F	98.8	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.6	-174.3	-166.8	-81.7	0	0	0	110.6	R111 D115 P116 P117 H132 G134 Y135 Y136 I158	R111-F119 PolarHBondContact NH1-O 3Å; R111-F119 PolarHBondContact NH2-O 2.86Å; R111-F119 VanDerWaalsContact NH2-O 3.16Å; D115-F119 HydrophobicContact CB-CB 4.39Å; D115-F119 HydrophobicContact CB-CD1 4.05Å; P116-F119 HydrophobicContact CG-CB 4.08Å; P116-F119 WeakPolarHBondContact O-CB 3.22Å; P116-F119 PolarHBondContact O-N 2.93Å; P117-F119 PolarHBondContact O-N 3.35Å; F119-H132 AromaticContact CE1-CD2 3.53Å; F119-H132 AromaticContact CE1-NE2 3.65Å; F119-H132 AromaticContact CZ-CD2 3.85Å; F119-H132 AromaticContact CZ-NE2 3.97Å; F119-G134 VanDerWaalsContact CZ-CA 3.45Å; F119-Y135 WeakPolarHBondContact CA-O 3.34Å; F119-Y136 HydrophobicContact CB-CD2 4.46Å; F119-Y136 HydrophobicContact CD2-CD2 4.17Å; F119-I158 HydrophobicContact CD2-CD1 4.14Å; F119-I158 HydrophobicContact CD2-CG2 4.25Å; F119-I158 HydrophobicContact CE2-CG2 4.08Å
120	Q	98.6	Very high	97.4	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.051	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	109.2	175.6	-178	-174	29.3	0	0	110	M54 G134 Y135	M54-Q120 VanDerWaalsContact CE-NE2 3.34Å; Q120-G134 CarbonylContact O-C 3.58Å; Q120-G134 WeakPolarHBondContact O-CA 3.13Å; Q120-Y135 PolarHBondContact N-O 3.5Å; Q120-Y135 PolarHBondContact O-N 2.89Å
121	T	98.8	Very high	97.4	Very high	5 Å²	5	25 Å²	25	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	134.5	177.7	-58.8	0	0	0	0	112.1	V86 W110 Y112 D115 H132	V86-T121 HydrophobicContact CG2-CG2 3.98Å; W110-T121 HydrophobicContact CB-CG2 4.04Å; W110-T121 WeakPolarHBondContact O-CB 3.29Å; W110-T121 PolarHBondContact O-OG1 3.12Å; Y112-T121 HydrophobicContact CE2-CG2 4.1Å; D115-T121 PolarHBondContact OD2-OG1 3.08Å; D115-T121 VanDerWaalsContact OD2-OG1 3.11Å; T121-H132 HydrophobicContact CG2-CB 4.16Å
122	I	98.8	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	-19.6	177.3	65.4	-171.4	0	0	0	112.6	V86 P88 F89 M133 Y135 V147 I165	V86-I122 PolarHBondContact N-O 3.49Å; P88-I122 HydrophobicContact CG-CG2 3.78Å; F89-I122 HydrophobicContact CD2-CB 4.4Å; F89-I122 WeakPolarHBondContact CD2-O 3.42Å; F89-I122 HydrophobicContact CE2-CB 4.02Å; I122-M133 PolarHBondContact N-O 3.31Å; I122-Y135 HydrophobicContact CD1-CD1 4.24Å; I122-Y135 HydrophobicContact CD1-CD2 3.65Å; I122-Y135 HydrophobicContact CD1-CE1 4.11Å; I122-Y135 HydrophobicContact CD1-CE2 3.47Å; I122-Y135 VanDerWaalsContact CD1-CE2 3.47Å; I122-Y135 HydrophobicContact CD1-CG 4.02Å; I122-Y135 HydrophobicContact CG2-CD2 3.6Å; I122-Y135 HydrophobicContact CG2-CE2 3.91Å; I122-V147 HydrophobicContact CD1-CG1 4.46Å; I122-V147 HydrophobicContact CD1-CG2 4.49Å; I122-I165 HydrophobicContact CD1-CB 4.38Å; I122-I165 HydrophobicContact CD1-CD1 3.83Å; I122-I165 HydrophobicContact CD1-CG1 4.16Å; I122-I165 HydrophobicContact CG1-CD1 4.21Å
123	L	98.8	Very high	97.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.8	176.7	-67.4	162.9	0	0	0	109.3	Q84 L85 H132 M133 I165 V169	Q84-L123 CarbonylContact O-C 3.27Å; Q84-L123 WeakPolarHBondContact O-CA 3.39Å; L85-L123 HydrophobicContact CB-CD2 4.47Å; L85-L123 HydrophobicContact CD1-CD2 3.89Å; L85-L123 HydrophobicContact CG-CD2 3.89Å; L123-H132 CarbonylContact O-C 3.35Å; L123-H132 VanDerWaalsContact O-CA 3.24Å; L123-H132 WeakPolarHBondContact O-CA 3.42Å; L123-H132 VanDerWaalsContact O-CB 3.29Å; L123-H132 WeakPolarHBondContact O-CB 3.27Å; L123-M133 HydrophobicContact CB-CB 4.21Å; L123-M133 HydrophobicContact CD1-CB 4.35Å; L123-M133 HydrophobicContact CD1-SD 4.05Å; L123-M133 PolarHBondContact N-O 3.44Å; L123-M133 PolarHBondContact O-N 3.46Å; L123-I165 HydrophobicContact CD1-CD1 4.09Å; L123-I165 HydrophobicContact CD1-CG1 4.05Å; L123-I165 HydrophobicContact CG-CD1 4.27Å; L123-V169 HydrophobicContact CD1-CG2 3.63Å
124	K	97.7	Very high	97.5	Very high	26 Å²	26	22.8 Å²	22.8	11%	0.113	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.1	166.8	75	170.4	-171.6	170.8	0	110.7	L83 Q84 V86 W110 E127	L83-K124 CarbonylContact C-O 3.57Å; L83-K124 WeakPolarHBondContact CA-O 3.36Å; Q84-K124 HydrophobicContact CB-CG 3.87Å; Q84-K124 VanDerWaalsContact CD-CE 3.44Å; Q84-K124 HydrophobicContact CG-CG 4.47Å; Q84-K124 PolarHBondContact N-O 3.09Å; Q84-K124 PolarHBondContact O-N 3.25Å; V86-K124 HydrophobicContact CG1-CB 4.3Å; V86-K124 HydrophobicContact CG1-CD 3.83Å; V86-K124 HydrophobicContact CG1-CG 3.72Å; V86-K124 HydrophobicContact CG2-CB 4.13Å; V86-K124 HydrophobicContact CG2-CG 4.44Å; W110-K124 HydrophobicContact CE3-CD 4.31Å; W110-K124 HydrophobicContact CH2-CD 3.8Å; W110-K124 HydrophobicContact CZ2-CD 4.31Å; W110-K124 HydrophobicContact CZ3-CD 3.77Å; K124-E127 IonicContact NZ-OE1 3.44Å
125	G	96.9	Very high	97.5	Very high	11 Å²	11	20.9 Å²	20.9	11%	0.113	11%	0.113	C	C	.	.			trans	-117.9	-138.6	177.6	0	0	0	0	0	112.6	G82 E127 H131	G82-G125 WeakPolarHBondContact O-CA 3.43Å; G125-E127 PolarHBondContact O-N 2.97Å; G125-H131 WeakPolarHBondContact CA-O 3.34Å; G125-H131 PolarHBondContact N-O 3.17Å
126	S	94.2	Very high	97.5	Very high	54 Å²	54	20.9 Å²	20.9	38%	0.378	11%	0.113	S	C	.	.			trans	-57.6	123.3	177.7	164.8	0	0	0	0	112.6	D128 Q130 H131	S126-D128 VanDerWaalsContact C-N 3.31Å; S126-D128 PolarHBondContact O-N 2.81Å; S126-D128 PolarHBondContact OG-N 3.44Å; S126-Q130 WeakPolarHBondContact O-CA 2.96Å; S126-Q130 PolarHBondContact O-N 3.25Å; S126-H131 PolarHBondContact O-N 3.25Å
127	E	92.4	Very high	97.5	Very high	139 Å²	139	21 Å²	21	65%	0.65	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.9	176.1	-63.1	-176.9	173.6	0	0	112.5	K124 G125 S129 Q130 K153	K124-E127 IonicContact NZ-OE1 3.44Å; G125-E127 PolarHBondContact O-N 2.97Å; E127-S129 VanDerWaalsContact C-N 3.3Å; E127-S129 PolarHBondContact O-N 3.01Å; E127-Q130 PolarHBondContact O-N 3.31Å; E127-K153 PolarHBondContact O-NZ 3.09Å
128	D	93.4	Very high	97.5	Very high	140 Å²	140	21.5 Å²	21.5	75%	0.749	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.2	178.9	-64	-30.1	0	0	0	112.5	S126 K153	S126-D128 VanDerWaalsContact C-N 3.31Å; S126-D128 PolarHBondContact O-N 2.81Å; S126-D128 PolarHBondContact OG-N 3.44Å; D128-K153 WeakPolarHBondContact O-CD 3.44Å; D128-K153 PolarHBondContact O-NZ 3.16Å
129	S	94.3	Very high	97.5	Very high	20 Å²	20	22.4 Å²	22.4	14%	0.14	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-3	176.8	64.5	0	0	0	0	113.5	E127 H131 H151 A152 K153	E127-S129 VanDerWaalsContact C-N 3.3Å; E127-S129 PolarHBondContact O-N 3.01Å; S129-H131 PolarHBondContact O-N 3.01Å; S129-H151 CarbonylContact O-C 3.48Å; S129-H151 WeakPolarHBondContact O-CA 3.5Å; S129-H151 PolarHBondContact OG-ND1 3.36Å; S129-H151 VanDerWaalsContact OG-ND1 3.08Å; S129-A152 PolarHBondContact O-N 2.74Å; S129-K153 PolarHBondContact O-N 2.86Å
130	Q	96.4	Very high	97.4	Very high	16 Å²	16	23 Å²	23	8%	0.075	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	45.8	-166.6	-71.9	-175.6	-17.3	0	0	111.3	Y112 S126 E127 H132 A152 K153 H343	Y112-Q130 HydrophobicContact CD1-CB 3.86Å; Y112-Q130 HydrophobicContact CD1-CG 4.28Å; Y112-Q130 HydrophobicContact CE1-CB 3.65Å; Y112-Q130 HydrophobicContact CE1-CG 3.97Å; S126-Q130 WeakPolarHBondContact O-CA 2.96Å; S126-Q130 PolarHBondContact O-N 3.25Å; E127-Q130 PolarHBondContact O-N 3.31Å; Q130-H132 PolarHBondContact O-ND1 2.97Å; Q130-A152 HydrophobicContact CB-CB 3.89Å; Q130-A152 PolarHBondContact O-N 2.9Å; Q130-K153 HydrophobicContact CB-CD 4.5Å; Q130-K153 HydrophobicContact CB-CG 4.25Å; Q130-K153 HydrophobicContact CG-CD 3.93Å; Q130-K153 HydrophobicContact CG-CG 3.94Å; Q130-H343 PolarHBondContact NE2-O 3.08Å
131	H	98	Very high	97.2	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.046	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.8	175.6	176.8	-141	0	0	0	109.4	G125 S126 S129 E149 N150 H151 H172	G125-H131 WeakPolarHBondContact CA-O 3.34Å; G125-H131 PolarHBondContact N-O 3.17Å; S126-H131 PolarHBondContact O-N 3.25Å; S129-H131 PolarHBondContact O-N 3.01Å; H131-E149 IonicContact CE1-OE1 3.56Å; H131-E149 WeakPolarHBondContact NE2-CG 3.37Å; H131-E149 IonicContact NE2-OE1 2.9Å; H131-E149 PolarHBondContact NE2-OE1 3.2Å; H131-N150 WeakPolarHBondContact CA-O 3.31Å; H131-H151 AromaticContact CD2-CE1 3.5Å; H131-H151 PolarHBondContact CD2-CE1 2.95Å; H131-H151 VanDerWaalsContact CD2-CE1 3.5Å; H131-H151 AromaticContact CD2-ND1 3.93Å; H131-H151 AromaticContact CD2-NE2 3.82Å; H131-H151 AromaticContact CG-CE1 3.61Å; H131-H151 AromaticContact CG-ND1 3.92Å; H131-H172 AromaticContact CE1-CE1 3.57Å; H131-H172 AromaticContact CE1-ND1 3.7Å
132	H	98.8	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	163.1	175.4	61.9	-80.9	0	0	0	110.6	Y112 D115 F119 T121 L123 Q130 N150	Y112-H132 AromaticContact CD1-ND1 3.78Å; Y112-H132 HydrophobicContact CD2-CB 4.08Å; Y112-H132 AromaticContact CD2-CD2 3.58Å; Y112-H132 AromaticContact CD2-CE1 3.59Å; Y112-H132 AromaticContact CD2-CG 3.42Å; Y112-H132 VanDerWaalsContact CD2-CG 3.42Å; Y112-H132 AromaticContact CD2-ND1 3.44Å; Y112-H132 WeakPolarHBondContact CD2-ND1 3.26Å; Y112-H132 AromaticContact CD2-NE2 3.72Å; Y112-H132 AromaticContact CE1-ND1 3.96Å; Y112-H132 HydrophobicContact CE2-CB 3.52Å; Y112-H132 AromaticContact CE2-CD2 3.92Å; Y112-H132 AromaticContact CE2-CG 3.39Å; Y112-H132 AromaticContact CE2-ND1 3.64Å; Y112-H132 AromaticContact CG-CE1 3.46Å; Y112-H132 VanDerWaalsContact CG-CE1 3.46Å; Y112-H132 AromaticContact CG-ND1 3.52Å; Y112-H132 AromaticContact CG-NE2 3.97Å; Y112-H132 AromaticContact CZ-CG 3.94Å; Y112-H132 AromaticContact CZ-ND1 3.89Å; D115-H132 IonicContact OD1-CE1 2.73Å; D115-H132 IonicContact OD1-NE2 2.92Å; D115-H132 PolarHBondContact OD1-NE2 3.47Å; D115-H132 IonicContact OD2-NE2 3.27Å; F119-H132 AromaticContact CE1-CD2 3.53Å; F119-H132 AromaticContact CE1-NE2 3.65Å; F119-H132 AromaticContact CZ-CD2 3.85Å; F119-H132 AromaticContact CZ-NE2 3.97Å; T121-H132 HydrophobicContact CG2-CB 4.16Å; L123-H132 CarbonylContact O-C 3.35Å; L123-H132 VanDerWaalsContact O-CA 3.24Å; L123-H132 WeakPolarHBondContact O-CA 3.42Å; L123-H132 VanDerWaalsContact O-CB 3.29Å; L123-H132 WeakPolarHBondContact O-CB 3.27Å; Q130-H132 PolarHBondContact O-ND1 2.97Å; H132-N150 PolarHBondContact CE1-OD1 3.45Å; H132-N150 PolarHBondContact N-O 3.14Å; H132-N150 PolarHBondContact ND1-O 3.06Å; H132-N150 PolarHBondContact O-N 2.82Å
133	M	98.9	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.5	175.1	-54.6	171.5	-172.6	0	0	110.5	L83 I122 L123 V147 G148 E149 A168 H172	L83-M133 HydrophobicContact CD1-CE 4.33Å; I122-M133 PolarHBondContact N-O 3.31Å; L123-M133 HydrophobicContact CB-CB 4.21Å; L123-M133 HydrophobicContact CD1-CB 4.35Å; L123-M133 HydrophobicContact CD1-SD 4.05Å; L123-M133 PolarHBondContact N-O 3.44Å; L123-M133 PolarHBondContact O-N 3.46Å; M133-V147 HydrophobicContact CB-CG1 4.1Å; M133-G148 CarbonylContact C-O 3.54Å; M133-G148 WeakPolarHBondContact CA-O 3.38Å; M133-G148 WeakPolarHBondContact CB-O 3.38Å; M133-E149 WeakPolarHBondContact CE-OE1 3.16Å; M133-E149 HydrophobicContact CG-CB 4.18Å; M133-E149 HydrophobicContact CG-CG 4.44Å; M133-A168 HydrophobicContact SD-CB 4.15Å; M133-H172 HydrophobicContact CE-CB 3.73Å
134	G	98.9	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	156	-174.3	0	0	0	0	0	113	F119 Q120 V147 G148	F119-G134 VanDerWaalsContact CZ-CA 3.45Å; Q120-G134 CarbonylContact O-C 3.58Å; Q120-G134 WeakPolarHBondContact O-CA 3.13Å; G134-V147 CarbonylContact O-C 3.53Å; G134-V147 WeakPolarHBondContact O-CA 3.37Å; G134-G148 PolarHBondContact N-O 3.01Å; G134-G148 PolarHBondContact O-N 3.31Å
135	Y	98.9	Very high	97.1	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.4	170.7	-77.2	-55	0	0	0	110.4	P55 D57 L58 F119 Q120 I122 P144 V147	P55-Y135 HydrophobicContact CG-CD1 4.45Å; P55-Y135 HydrophobicContact CG-CE1 3.86Å; P55-Y135 HydrophobicContact CG-CE2 3.94Å; D57-Y135 PolarHBondContact OD1-OH 3.45Å; D57-Y135 PolarHBondContact OD2-OH 2.64Å; L58-Y135 HydrophobicContact CB-CE2 4.11Å; L58-Y135 HydrophobicContact CD1-CE2 3.77Å; L58-Y135 PolarHBondContact N-OH 3.39Å; F119-Y135 WeakPolarHBondContact CA-O 3.34Å; Q120-Y135 PolarHBondContact N-O 3.5Å; Q120-Y135 PolarHBondContact O-N 2.89Å; I122-Y135 HydrophobicContact CD1-CD1 4.24Å; I122-Y135 HydrophobicContact CD1-CD2 3.65Å; I122-Y135 HydrophobicContact CD1-CE1 4.11Å; I122-Y135 HydrophobicContact CD1-CE2 3.47Å; I122-Y135 VanDerWaalsContact CD1-CE2 3.47Å; I122-Y135 HydrophobicContact CD1-CG 4.02Å; I122-Y135 HydrophobicContact CG2-CD2 3.6Å; I122-Y135 HydrophobicContact CG2-CE2 3.91Å; Y135-P144 HydrophobicContact CD1-CB 3.5Å; Y135-P144 VanDerWaalsContact CD1-CB 3.5Å; Y135-P144 HydrophobicContact CD1-CG 3.61Å; Y135-P144 HydrophobicContact CD2-CG 4.23Å; Y135-P144 HydrophobicContact CE1-CB 4.39Å; Y135-P144 HydrophobicContact CE1-CG 4.39Å; Y135-P144 HydrophobicContact CG-CB 3.83Å; Y135-P144 HydrophobicContact CG-CG 3.53Å; Y135-V147 HydrophobicContact CD1-CG2 3.66Å; Y135-V147 HydrophobicContact CE1-CG2 3.55Å
136	Y	98.9	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.7	175	-164.2	-78.6	0	0	0	110.5	P116 E118 F119 P144 S145 F146 I158 A230 G231	P116-Y136 HydrophobicContact CG-CE2 4.37Å; E118-Y136 HydrophobicContact CB-CD1 4.21Å; E118-Y136 HydrophobicContact CB-CD2 4.25Å; E118-Y136 HydrophobicContact CB-CE1 3.84Å; E118-Y136 HydrophobicContact CB-CE2 3.89Å; E118-Y136 HydrophobicContact CB-CG 4.4Å; E118-Y136 HydrophobicContact CG-CE1 4.12Å; E118-Y136 CarbonylContact O-C 3.3Å; E118-Y136 WeakPolarHBondContact O-CA 3.07Å; F119-Y136 HydrophobicContact CB-CD2 4.46Å; F119-Y136 HydrophobicContact CD2-CD2 4.17Å; Y136-P144 CarbonylContact O-C 3.54Å; Y136-P144 WeakPolarHBondContact O-CA 3.33Å; Y136-S145 PolarHBondContact O-N 3.25Å; Y136-F146 VanDerWaalsContact CB-CZ 3.44Å; Y136-F146 AromaticContact CD1-CE1 3.73Å; Y136-F146 HydrophobicContact CD1-CE1 3.73Å; Y136-F146 HydrophobicContact CD1-CE2 4.38Å; Y136-F146 AromaticContact CD1-CZ 3.55Å; Y136-F146 HydrophobicContact CD1-CZ 3.55Å; Y136-F146 HydrophobicContact CD2-CE2 4.06Å; Y136-F146 AromaticContact CD2-CZ 3.78Å; Y136-F146 HydrophobicContact CD2-CZ 3.78Å; Y136-F146 HydrophobicContact CE1-CE1 4.45Å; Y136-F146 HydrophobicContact CE1-CZ 4.23Å; Y136-F146 HydrophobicContact CE2-CZ 4.41Å; Y136-F146 AromaticContact CG-CE1 3.9Å; Y136-F146 HydrophobicContact CG-CE1 3.9Å; Y136-F146 AromaticContact CG-CE2 3.7Å; Y136-F146 HydrophobicContact CG-CE2 3.7Å; Y136-F146 AromaticContact CG-CZ 3.29Å; Y136-F146 HydrophobicContact CG-CZ 3.29Å; Y136-F146 PolarHBondContact N-O 3.13Å; Y136-I158 HydrophobicContact CD2-CD1 4.4Å; Y136-I158 HydrophobicContact CE2-CD1 4.07Å; Y136-A230 HydrophobicContact CD2-CB 4.22Å; Y136-A230 HydrophobicContact CE2-CB 3.64Å; Y136-G231 PolarHBondContact OH-O 2.75Å
137	R	98.7	Very high	97.4	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.011	19%	0.188	C	C	.	.			trans	-111.9	122.5	178.7	-70.1	-179	-177.1	84.9	-6.4	110.4	H53 M54 E118 S139 T142 P144 F330	H53-R137 PolarHBondContact O-NH2 3.08Å; H53-R137 VanDerWaalsContact O-NH2 3.14Å; M54-R137 PolarHBondContact SD-NH2 3.28Å; E118-R137 WeakPolarHBondContact CB-O 3.17Å; E118-R137 WeakPolarHBondContact CG-O 3.2Å; E118-R137 PolarHBondContact O-N 3.26Å; R137-S139 PolarHBondContact O-N 3.28Å; R137-T142 WeakPolarHBondContact CD-O 3.19Å; R137-P144 HydrophobicContact CG-CB 4.29Å; R137-P144 HydrophobicContact CG-CG 3.96Å; R137-F330 HydrophobicContact CB-CZ 4.1Å; R137-F330 WeakPolarHBondContact O-CZ 3.47Å
138	D	98.4	Very high	97.7	Very high	14 Å²	14	27.9 Å²	27.9	8%	0.075	16%	0.157	C	C	.	.	S	Bend	trans	-69.6	-23.5	174.3	-72.9	-44.2	0	0	0	112.5	S145 R218 V233 R327	D138-S145 PolarHBondContact OD2-OG 3.34Å; D138-R218 IonicContact OD1-CZ 2.74Å; D138-R218 IonicContact OD1-NE 3.88Å; D138-R218 PolarHBondContact OD1-NE 3.43Å; D138-R218 IonicContact OD1-NH2 3.96Å; D138-R218 PolarHBondContact OD1-NH2 2.88Å; D138-R218 WeakPolarHBondContact OD2-CG 3.45Å; D138-R218 IonicContact OD2-CZ 2.81Å; D138-R218 IonicContact OD2-NE 3.73Å; D138-R218 PolarHBondContact OD2-NE 3.33Å; D138-R218 IonicContact OD2-NH2 3.97Å; D138-V233 HydrophobicContact CB-CB 4.25Å; D138-R327 PolarHBondContact O-NE 2.81Å; D138-R327 PolarHBondContact O-NH1 2.87Å; D138-R327 VanDerWaalsContact O-NH1 3.14Å
139	S	97.8	Very high	97.9	Very high	21 Å²	21	21.5 Å²	21.5	15%	0.147	12%	0.123	C	C	.	.	S	Bend	trans	-145.5	144.8	176.5	-179.1	0	0	0	0	110.5	R137 D141 T142	R137-S139 PolarHBondContact O-N 3.28Å; S139-D141 PolarHBondContact O-N 3.41Å; S139-T142 PolarHBondContact N-OG1 3.42Å; S139-T142 PolarHBondContact O-N 2.86Å; S139-T142 PolarHBondContact O-OG1 2.73Å
140	P	97.1	Very high	98.2	Very high	11 Å²	11	20.7 Å²	20.7	7%	0.071	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.4	175	24.7	-37	0	0	0	113.2	F52 T142 R327 L329 F330	F52-P140 HydrophobicContact CD1-CB 4.06Å; F52-P140 HydrophobicContact CE1-CB 3.65Å; P140-T142 VanDerWaalsContact C-N 3.25Å; P140-T142 PolarHBondContact O-N 2.99Å; P140-R327 HydrophobicContact CG-CB 4.19Å; P140-L329 HydrophobicContact CB-CB 4.19Å; P140-L329 HydrophobicContact CB-CD2 4.27Å; P140-F330 HydrophobicContact CB-CD1 4.48Å; P140-F330 HydrophobicContact CB-CE1 4.18Å; P140-F330 HydrophobicContact CB-CZ 4.46Å
141	D	95.6	Very high	98.2	Very high	135 Å²	135	21.9 Å²	21.9	72%	0.722	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.1	-175.9	-56	-40.9	0	0	0	113.8	S139	S139-D141 PolarHBondContact O-N 3.41Å
142	T	96.3	Very high	98.2	Very high	65 Å²	65	21.5 Å²	21.5	40%	0.399	12%	0.121	S	C	.	.	S	Bend	trans	-117.4	149.9	-175.9	58.5	0	0	0	0	111.5	R137 S139 P140	R137-T142 WeakPolarHBondContact CD-O 3.19Å; S139-T142 PolarHBondContact N-OG1 3.42Å; S139-T142 PolarHBondContact O-N 2.86Å; S139-T142 PolarHBondContact O-OG1 2.73Å; P140-T142 VanDerWaalsContact C-N 3.25Å; P140-T142 PolarHBondContact O-N 2.99Å
143	L	97.9	Very high	98	Very high	97 Å²	97	27.2 Å²	27.2	51%	0.508	15%	0.146	S	C	.	.			trans	-62.7	157	170.3	-68.5	179.1	0	0	0	110.9	H53 P55 S145	H53-L143 HydrophobicContact CB-CD2 4.27Å; P55-L143 HydrophobicContact CB-CD2 4.25Å; L143-S145 PolarHBondContact O-N 2.96Å
144	P	98.5	Very high	97.9	Very high	21 Å²	21	35 Å²	35	14%	0.136	18%	0.18	C	C	.	.			trans	-52.3	136.7	176.1	-27.9	37.2	0	0	0	112.7	P55 Y135 Y136 R137	P55-P144 HydrophobicContact CG-CG 4.06Å; Y135-P144 HydrophobicContact CD1-CB 3.5Å; Y135-P144 VanDerWaalsContact CD1-CB 3.5Å; Y135-P144 HydrophobicContact CD1-CG 3.61Å; Y135-P144 HydrophobicContact CD2-CG 4.23Å; Y135-P144 HydrophobicContact CE1-CB 4.39Å; Y135-P144 HydrophobicContact CE1-CG 4.39Å; Y135-P144 HydrophobicContact CG-CB 3.83Å; Y135-P144 HydrophobicContact CG-CG 3.53Å; Y136-P144 CarbonylContact O-C 3.54Å; Y136-P144 WeakPolarHBondContact O-CA 3.33Å; R137-P144 HydrophobicContact CG-CB 4.29Å; R137-P144 HydrophobicContact CG-CG 3.96Å
145	S	98.3	Very high	97.8	Very high	31 Å²	31	36 Å²	36	22%	0.217	19%	0.19	C	C	.	.	S	Bend	trans	-80.7	-28.3	175.1	-69.5	0	0	0	0	112.4	Y136 D138 L143	Y136-S145 PolarHBondContact O-N 3.25Å; D138-S145 PolarHBondContact OD2-OG 3.34Å; L143-S145 PolarHBondContact O-N 2.96Å
146	F	98.8	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	172.1	175.9	57.4	-91.8	0	0	0	112	Y136 I158 Q160 G162 M215 A230	Y136-F146 VanDerWaalsContact CB-CZ 3.44Å; Y136-F146 AromaticContact CD1-CE1 3.73Å; Y136-F146 HydrophobicContact CD1-CE1 3.73Å; Y136-F146 HydrophobicContact CD1-CE2 4.38Å; Y136-F146 AromaticContact CD1-CZ 3.55Å; Y136-F146 HydrophobicContact CD1-CZ 3.55Å; Y136-F146 HydrophobicContact CD2-CE2 4.06Å; Y136-F146 AromaticContact CD2-CZ 3.78Å; Y136-F146 HydrophobicContact CD2-CZ 3.78Å; Y136-F146 HydrophobicContact CE1-CE1 4.45Å; Y136-F146 HydrophobicContact CE1-CZ 4.23Å; Y136-F146 HydrophobicContact CE2-CZ 4.41Å; Y136-F146 AromaticContact CG-CE1 3.9Å; Y136-F146 HydrophobicContact CG-CE1 3.9Å; Y136-F146 AromaticContact CG-CE2 3.7Å; Y136-F146 HydrophobicContact CG-CE2 3.7Å; Y136-F146 AromaticContact CG-CZ 3.29Å; Y136-F146 HydrophobicContact CG-CZ 3.29Å; Y136-F146 PolarHBondContact N-O 3.13Å; F146-I158 HydrophobicContact CE2-CG2 4.4Å; F146-Q160 HydrophobicContact CD1-CG 4.4Å; F146-Q160 HydrophobicContact CD2-CB 4.15Å; F146-Q160 HydrophobicContact CD2-CG 3.77Å; F146-Q160 HydrophobicContact CE1-CG 4.34Å; F146-Q160 HydrophobicContact CE2-CB 4.5Å; F146-Q160 HydrophobicContact CE2-CG 3.7Å; F146-Q160 HydrophobicContact CG-CG 4.15Å; F146-Q160 HydrophobicContact CZ-CG 4Å; F146-G162 WeakPolarHBondContact CB-O 3.29Å; F146-M215 HydrophobicContact CB-CE 3.75Å; F146-M215 HydrophobicContact CB-CG 4.34Å; F146-M215 HydrophobicContact CB-SD 4.43Å; F146-M215 HydrophobicContact CG-CE 4.4Å; F146-A230 HydrophobicContact CZ-CB 4.03Å
147	V	98.9	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126	163.6	-178.9	0	0	0	0	108.8	I122 M133 G134 Y135 M161 G162 A168	I122-V147 HydrophobicContact CD1-CG1 4.46Å; I122-V147 HydrophobicContact CD1-CG2 4.49Å; M133-V147 HydrophobicContact CB-CG1 4.1Å; G134-V147 CarbonylContact O-C 3.53Å; G134-V147 WeakPolarHBondContact O-CA 3.37Å; Y135-V147 HydrophobicContact CD1-CG2 3.66Å; Y135-V147 HydrophobicContact CE1-CG2 3.55Å; V147-M161 WeakPolarHBondContact O-CA 3.24Å; V147-M161 PolarHBondContact O-N 3.12Å; V147-G162 PolarHBondContact N-O 2.68Å; V147-A168 HydrophobicContact CB-CB 3.89Å; V147-A168 HydrophobicContact CG1-CB 3.55Å; V147-A168 HydrophobicContact CG2-CB 4.42Å
148	G	98.8	Very high	97.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.3	177.2	0	0	0	0	0	112.2	M133 G134 T159	M133-G148 CarbonylContact C-O 3.54Å; M133-G148 WeakPolarHBondContact CA-O 3.38Å; M133-G148 WeakPolarHBondContact CB-O 3.38Å; G134-G148 PolarHBondContact N-O 3.01Å; G134-G148 PolarHBondContact O-N 3.31Å; G148-T159 CarbonylContact C-O 3.48Å; G148-T159 VanDerWaalsContact CA-O 3.27Å; G148-T159 WeakPolarHBondContact CA-O 3.39Å
149	E	98.8	Very high	97.8	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.2	174.7	173.6	-177.8	-98.9	0	0	109.7	H131 M133 I158 T159 M161 R175	H131-E149 IonicContact CE1-OE1 3.56Å; H131-E149 WeakPolarHBondContact NE2-CG 3.37Å; H131-E149 IonicContact NE2-OE1 2.9Å; H131-E149 PolarHBondContact NE2-OE1 3.2Å; M133-E149 WeakPolarHBondContact CE-OE1 3.16Å; M133-E149 HydrophobicContact CG-CB 4.18Å; M133-E149 HydrophobicContact CG-CG 4.44Å; E149-I158 WeakPolarHBondContact O-CA 3.35Å; E149-T159 PolarHBondContact N-O 3.19Å; E149-T159 PolarHBondContact O-N 3.39Å; E149-M161 HydrophobicContact CB-CG 3.64Å; E149-R175 IonicContact OE1-CZ 3.72Å; E149-R175 IonicContact OE1-NH1 3.69Å; E149-R175 IonicContact OE1-NH2 3.46Å; E149-R175 PolarHBondContact OE1-NH2 3.25Å; E149-R175 IonicContact OE2-CZ 3.49Å; E149-R175 VanDerWaalsContact OE2-CZ 3.27Å; E149-R175 IonicContact OE2-NH1 2.7Å; E149-R175 PolarHBondContact OE2-NH1 3.17Å; E149-R175 IonicContact OE2-NH2 2.81Å; E149-R175 PolarHBondContact OE2-NH2 3.08Å
150	N	98.7	Very high	97.8	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.8	172.7	176.8	-98.1	0	0	0	111.8	H131 H132 A152 G155 N157	H131-N150 WeakPolarHBondContact CA-O 3.31Å; H132-N150 PolarHBondContact CE1-OD1 3.45Å; H132-N150 PolarHBondContact N-O 3.14Å; H132-N150 PolarHBondContact ND1-O 3.06Å; H132-N150 PolarHBondContact O-N 2.82Å; N150-A152 WeakPolarHBondContact OD1-CA 3.33Å; N150-A152 PolarHBondContact OD1-N 2.89Å; N150-G155 PolarHBondContact ND2-O 3.29Å; N150-N157 PolarHBondContact ND2-O 3.25Å
151	H	98.2	Very high	97.9	Very high	41 Å²	41	43 Å²	43	19%	0.19	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	94.8	168.3	-64.9	-94.2	0	0	0	108.4	S129 H131 K153 K154 G155	S129-H151 CarbonylContact O-C 3.48Å; S129-H151 WeakPolarHBondContact O-CA 3.5Å; S129-H151 PolarHBondContact OG-ND1 3.36Å; S129-H151 VanDerWaalsContact OG-ND1 3.08Å; H131-H151 AromaticContact CD2-CE1 3.5Å; H131-H151 PolarHBondContact CD2-CE1 2.95Å; H131-H151 VanDerWaalsContact CD2-CE1 3.5Å; H131-H151 AromaticContact CD2-ND1 3.93Å; H131-H151 AromaticContact CD2-NE2 3.82Å; H131-H151 AromaticContact CG-CE1 3.61Å; H131-H151 AromaticContact CG-ND1 3.92Å; H151-K153 PolarHBondContact O-N 3.42Å; H151-K153 VanDerWaalsContact O-N 3.1Å; H151-K154 HydrophobicContact CB-CB 4.02Å; H151-K154 HydrophobicContact CB-CD 3.82Å; H151-K154 HydrophobicContact CB-CG 3.93Å; H151-K154 WeakPolarHBondContact O-CA 3.44Å; H151-K154 WeakPolarHBondContact O-CB 3.34Å; H151-K154 PolarHBondContact O-N 2.87Å; H151-G155 PolarHBondContact O-N 3.16Å
152	A	96.8	Very high	98	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.7	-166.5	0	0	0	0	0	113.7	Y112 Y114 S129 Q130 N150 K154	Y112-A152 HydrophobicContact CD1-CB 3.92Å; Y112-A152 HydrophobicContact CG-CB 4.31Å; Y114-A152 HydrophobicContact CD2-CB 4.42Å; Y114-A152 VanDerWaalsContact CD2-O 3.32Å; Y114-A152 WeakPolarHBondContact CD2-O 3.47Å; Y114-A152 VanDerWaalsContact CE2-O 3.26Å; Y114-A152 WeakPolarHBondContact CE2-O 3.3Å; S129-A152 PolarHBondContact O-N 2.74Å; Q130-A152 HydrophobicContact CB-CB 3.89Å; Q130-A152 PolarHBondContact O-N 2.9Å; N150-A152 WeakPolarHBondContact OD1-CA 3.33Å; N150-A152 PolarHBondContact OD1-N 2.89Å; A152-K154 VanDerWaalsContact C-N 3.32Å
153	K	96.1	Very high	98.1	Very high	120 Å²	120	35.6 Å²	35.6	52%	0.522	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.8	172.9	-77	173.5	172.4	170.8	0	114	E127 D128 S129 Q130 H151	E127-K153 PolarHBondContact O-NZ 3.09Å; D128-K153 WeakPolarHBondContact O-CD 3.44Å; D128-K153 PolarHBondContact O-NZ 3.16Å; S129-K153 PolarHBondContact O-N 2.86Å; Q130-K153 HydrophobicContact CB-CD 4.5Å; Q130-K153 HydrophobicContact CB-CG 4.25Å; Q130-K153 HydrophobicContact CG-CD 3.93Å; Q130-K153 HydrophobicContact CG-CG 3.94Å; H151-K153 PolarHBondContact O-N 3.42Å; H151-K153 VanDerWaalsContact O-N 3.1Å
154	K	96.7	Very high	98.1	Very high	164 Å²	164	31.1 Å²	31.1	71%	0.713	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-26.5	177.6	-62.8	-176.2	-177.8	171.9	0	112.6	H151 A152	H151-K154 HydrophobicContact CB-CB 4.02Å; H151-K154 HydrophobicContact CB-CD 3.82Å; H151-K154 HydrophobicContact CB-CG 3.93Å; H151-K154 WeakPolarHBondContact O-CA 3.44Å; H151-K154 WeakPolarHBondContact O-CB 3.34Å; H151-K154 PolarHBondContact O-N 2.87Å; A152-K154 VanDerWaalsContact C-N 3.32Å
155	G	96.6	Very high	98.2	Very high	22 Å²	22	30.1 Å²	30.1	23%	0.227	16%	0.156	C	C	.	.			trans	147.2	-165.5	177	0	0	0	0	0	112.9	N150 H151	N150-G155 PolarHBondContact ND2-O 3.29Å; H151-G155 PolarHBondContact O-N 3.16Å
156	C	98.3	Very high	98.2	Very high	20 Å²	20	28.7 Å²	28.7	14%	0.135	15%	0.146	C	C	.	.	S	Bend	trans	-91.9	1.9	-171.2	61.1	0	0	0	0	115.4	Y114 I158 H228 C304	Y114-C156 HydrophobicContact CD1-CB 3.54Å; Y114-C156 HydrophobicContact CE1-CB 4.16Å; Y114-C156 HydrophobicContact CG-CB 3.78Å; C156-I158 PolarHBondContact O-N 2.96Å; C156-H228 WeakPolarHBondContact O-CA 3.09Å; C156-H228 WeakPolarHBondContact O-CB 3.42Å; C156-C304 HydrophobicContact CB-CB 3.91Å
157	N	98.7	Very high	98.2	Very high	90 Å²	90	28.7 Å²	28.7	48%	0.481	15%	0.146	S	C	.	.			trans	-66.5	130.6	-176	-176.8	-95.5	0	0	0	112	N150 T159 H228	N150-N157 PolarHBondContact ND2-O 3.25Å; N157-T159 PolarHBondContact OD1-OG1 3.04Å; N157-H228 WeakPolarHBondContact CA-O 3.18Å
158	I	98.8	Very high	98.2	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	15%	0.146	C	C	.	.			trans	-110.7	113.6	176.5	-60.4	168.8	0	0	0	108.2	P116 F119 Y136 F146 E149 C156 H228 A230	P116-I158 HydrophobicContact CG-CD1 4.11Å; F119-I158 HydrophobicContact CD2-CD1 4.14Å; F119-I158 HydrophobicContact CD2-CG2 4.25Å; F119-I158 HydrophobicContact CE2-CG2 4.08Å; Y136-I158 HydrophobicContact CD2-CD1 4.4Å; Y136-I158 HydrophobicContact CE2-CD1 4.07Å; F146-I158 HydrophobicContact CE2-CG2 4.4Å; E149-I158 WeakPolarHBondContact O-CA 3.35Å; C156-I158 PolarHBondContact O-N 2.96Å; I158-H228 HydrophobicContact CD1-CB 4.09Å; I158-H228 HydrophobicContact CG1-CB 4.25Å; I158-H228 PolarHBondContact N-O 2.73Å; I158-A230 HydrophobicContact CB-CB 4.05Å; I158-A230 HydrophobicContact CD1-CB 4.36Å; I158-A230 HydrophobicContact CG2-CB 4.2Å
159	T	98.4	Very high	98.2	Very high	50 Å²	50	28.7 Å²	28.7	31%	0.307	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.8	177	-67	0	0	0	0	110.3	G148 E149 N157 M161	G148-T159 CarbonylContact C-O 3.48Å; G148-T159 VanDerWaalsContact CA-O 3.27Å; G148-T159 WeakPolarHBondContact CA-O 3.39Å; E149-T159 PolarHBondContact N-O 3.19Å; E149-T159 PolarHBondContact O-N 3.39Å; N157-T159 PolarHBondContact OD1-OG1 3.04Å; T159-M161 HydrophobicContact CG2-SD 4.24Å
160	Q	98.4	Very high	98.2	Very high	28 Å²	28	29.5 Å²	29.5	13%	0.131	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.6	179.3	-57.6	-175.3	4.3	0	0	111.7	F146 M215	F146-Q160 HydrophobicContact CD1-CG 4.4Å; F146-Q160 HydrophobicContact CD2-CB 4.15Å; F146-Q160 HydrophobicContact CD2-CG 3.77Å; F146-Q160 HydrophobicContact CE1-CG 4.34Å; F146-Q160 HydrophobicContact CE2-CB 4.5Å; F146-Q160 HydrophobicContact CE2-CG 3.7Å; F146-Q160 HydrophobicContact CG-CG 4.15Å; F146-Q160 HydrophobicContact CZ-CG 4Å; Q160-M215 HydrophobicContact CB-CE 3.69Å; Q160-M215 HydrophobicContact CG-CE 4.44Å; Q160-M215 VanDerWaalsContact OE1-CE 3.24Å
161	M	98	Very high	98.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.154	C	C	.	.			trans	-126.8	49.9	-170	-65.3	-65.2	-78.8	0	0	111.8	V147 E149 T159 A168 L171 R175	V147-M161 WeakPolarHBondContact O-CA 3.24Å; V147-M161 PolarHBondContact O-N 3.12Å; E149-M161 HydrophobicContact CB-CG 3.64Å; T159-M161 HydrophobicContact CG2-SD 4.24Å; M161-A168 HydrophobicContact CB-CB 3.99Å; M161-A168 WeakPolarHBondContact O-CA 3.49Å; M161-A168 WeakPolarHBondContact O-CB 3.37Å; M161-A168 PolarHBondContact O-N 2.94Å; M161-L171 HydrophobicContact CB-CD1 4.47Å; M161-L171 HydrophobicContact CE-CB 3.69Å; M161-R175 VanDerWaalsContact CE-NH2 3.34Å; M161-R175 PolarHBondContact SD-NH2 3.48Å
162	G	98.4	Very high	98.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.			trans	80.9	173.1	-176	0	0	0	0	0	113.6	F146 V147 E209 Q210 M215	F146-G162 WeakPolarHBondContact CB-O 3.29Å; V147-G162 PolarHBondContact N-O 2.68Å; G162-E209 WeakPolarHBondContact CA-O 3.48Å; G162-Q210 WeakPolarHBondContact CA-O 3.3Å; G162-Q210 PolarHBondContact N-O 3.48Å; G162-Q210 VanDerWaalsContact N-O 3.11Å; G162-M215 VanDerWaalsContact C-SD 3.59Å
163	D	98.3	Very high	98.2	Very high	45 Å²	45	29.6 Å²	29.6	24%	0.241	15%	0.15	C	C	.	.	S	Bend	trans	-94.4	4.3	-174.7	65.3	0.8	0	0	0	114.8	T212 S214 M215	D163-T212 HydrophobicContact CB-CG2 4.16Å; D163-T212 WeakPolarHBondContact OD1-CG2 2.96Å; D163-T212 VanDerWaalsContact OD2-CB 3.25Å; D163-T212 WeakPolarHBondContact OD2-CB 3.35Å; D163-T212 WeakPolarHBondContact OD2-CG2 3.48Å; D163-T212 PolarHBondContact OD2-OG1 2.78Å; D163-S214 PolarHBondContact OD2-OG 3.06Å; D163-M215 HydrophobicContact CB-CG 3.98Å; D163-M215 HydrophobicContact CB-SD 3.97Å
164	N	98.8	Very high	98.2	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	-152.1	162.3	-179.8	64.5	81.8	0	0	0	110.8	D57 F166 A167 A168 F206 S207	D57-N164 HydrophobicContact CB-CB 3.92Å; D57-N164 WeakPolarHBondContact OD2-CA 3.43Å; D57-N164 WeakPolarHBondContact OD2-CB 3.47Å; N164-F166 VanDerWaalsContact C-N 3.35Å; N164-F166 PolarHBondContact O-N 2.92Å; N164-F166 WeakPolarHBondContact OD1-CB 3.2Å; N164-F166 PolarHBondContact OD1-N 3.05Å; N164-F166 VanDerWaalsContact OD1-N 3.16Å; N164-A167 WeakPolarHBondContact O-CB 3.37Å; N164-A167 PolarHBondContact O-N 2.79Å; N164-A167 PolarHBondContact OD1-N 2.99Å; N164-A168 PolarHBondContact O-N 3.41Å; N164-F206 HydrophobicContact CB-CD1 4.43Å; N164-S207 PolarHBondContact ND2-O 3Å
165	I	98.8	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.4	-32	-176.4	-170.1	172.2	0	0	0	113.3	D57 F61 F89 I122 L123 A167 A168 V169	D57-I165 HydrophobicContact CB-CG2 4.22Å; D57-I165 PolarHBondContact OD2-N 3.32Å; F61-I165 HydrophobicContact CB-CD1 4.43Å; F61-I165 HydrophobicContact CB-CG2 3.46Å; F61-I165 VanDerWaalsContact CB-CG2 3.46Å; F61-I165 HydrophobicContact CD1-CD1 3.49Å; F61-I165 VanDerWaalsContact CD1-CD1 3.49Å; F61-I165 HydrophobicContact CD1-CG1 4.11Å; F61-I165 HydrophobicContact CD1-CG2 4.31Å; F61-I165 HydrophobicContact CD2-CG1 4.43Å; F61-I165 HydrophobicContact CD2-CG2 3.91Å; F61-I165 HydrophobicContact CE1-CD1 3.85Å; F61-I165 HydrophobicContact CE1-CG1 4.3Å; F61-I165 HydrophobicContact CG-CD1 3.94Å; F61-I165 HydrophobicContact CG-CG1 4.18Å; F61-I165 HydrophobicContact CG-CG2 3.64Å; F89-I165 HydrophobicContact CE2-CD1 3.73Å; F89-I165 HydrophobicContact CZ-CD1 3.73Å; I122-I165 HydrophobicContact CD1-CB 4.38Å; I122-I165 HydrophobicContact CD1-CD1 3.83Å; I122-I165 HydrophobicContact CD1-CG1 4.16Å; I122-I165 HydrophobicContact CG1-CD1 4.21Å; L123-I165 HydrophobicContact CD1-CD1 4.09Å; L123-I165 HydrophobicContact CD1-CG1 4.05Å; L123-I165 HydrophobicContact CG-CD1 4.27Å; I165-A167 PolarHBondContact O-N 3.47Å; I165-A168 PolarHBondContact O-N 3.11Å; I165-V169 HydrophobicContact CG1-CG2 4.19Å; I165-V169 WeakPolarHBondContact O-CG2 3.35Å; I165-V169 PolarHBondContact O-N 2.88Å
166	F	98.8	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-44.9	175.7	-72	-94.3	0	0	0	110.8	D57 H60 F61 F64 N164 A168 Y170 L197 Q200 A201 L204 F206 L208	D57-F166 HydrophobicContact CB-CD2 4.43Å; H60-F166 HydrophobicContact CB-CE2 4.03Å; H60-F166 HydrophobicContact CB-CZ 4.22Å; F61-F166 HydrophobicContact CB-CD2 4.48Å; F61-F166 HydrophobicContact CB-CE2 3.86Å; F61-F166 HydrophobicContact CB-CZ 4.05Å; F61-F166 AromaticContact CD2-CD1 3.92Å; F61-F166 HydrophobicContact CD2-CD1 3.92Å; F61-F166 HydrophobicContact CD2-CD2 4.12Å; F61-F166 AromaticContact CD2-CE1 3.8Å; F61-F166 HydrophobicContact CD2-CE1 3.8Å; F61-F166 HydrophobicContact CD2-CE2 4.01Å; F61-F166 HydrophobicContact CD2-CG 4.07Å; F61-F166 AromaticContact CD2-CZ 3.85Å; F61-F166 HydrophobicContact CD2-CZ 3.85Å; F61-F166 HydrophobicContact CE2-CD1 4.36Å; F61-F166 HydrophobicContact CE2-CE1 4.47Å; F61-F166 HydrophobicContact CG-CE2 4.46Å; F61-F166 HydrophobicContact CG-CZ 4.45Å; F64-F166 HydrophobicContact CB-CE1 4.27Å; F64-F166 HydrophobicContact CB-CZ 4.29Å; F64-F166 HydrophobicContact CD1-CE1 4.45Å; F64-F166 HydrophobicContact CG-CE1 4.19Å; N164-F166 VanDerWaalsContact C-N 3.35Å; N164-F166 PolarHBondContact O-N 2.92Å; N164-F166 WeakPolarHBondContact OD1-CB 3.2Å; N164-F166 PolarHBondContact OD1-N 3.05Å; N164-F166 VanDerWaalsContact OD1-N 3.16Å; F166-A168 PolarHBondContact O-N 2.86Å; F166-Y170 WeakPolarHBondContact O-CB 3.47Å; F166-Y170 PolarHBondContact O-N 2.79Å; F166-L197 HydrophobicContact CD1-CD2 4.02Å; F166-Q200 HydrophobicContact CE1-CB 4.14Å; F166-Q200 HydrophobicContact CE1-CG 3.71Å; F166-Q200 HydrophobicContact CZ-CG 4.06Å; F166-A201 HydrophobicContact CB-CB 4.34Å; F166-A201 HydrophobicContact CD1-CB 4.49Å; F166-L204 HydrophobicContact CE2-CD1 4.37Å; F166-L204 HydrophobicContact CZ-CD1 4.09Å; F166-F206 AromaticContact CD2-CD2 3.63Å; F166-F206 HydrophobicContact CD2-CD2 3.63Å; F166-F206 HydrophobicContact CD2-CE2 4.01Å; F166-F206 HydrophobicContact CD2-CG 4.38Å; F166-F206 AromaticContact CE2-CD2 3.81Å; F166-F206 HydrophobicContact CE2-CD2 3.81Å; F166-F206 AromaticContact CE2-CE2 3.79Å; F166-F206 HydrophobicContact CE2-CE2 3.79Å; F166-F206 HydrophobicContact CG-CD2 4.38Å; F166-L208 HydrophobicContact CB-CD2 4.02Å
167	A	98.8	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.6	-47.4	174.3	0	0	0	0	0	111.5	N164 I165 V169 Y170 L171 S207	N164-A167 WeakPolarHBondContact O-CB 3.37Å; N164-A167 PolarHBondContact O-N 2.79Å; N164-A167 PolarHBondContact OD1-N 2.99Å; I165-A167 PolarHBondContact O-N 3.47Å; A167-V169 PolarHBondContact O-N 2.98Å; A167-Y170 PolarHBondContact O-N 2.89Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 WeakPolarHBondContact O-CD1 3.34Å; A167-L171 WeakPolarHBondContact O-CG 3.47Å; A167-L171 PolarHBondContact O-N 3.27Å; A167-S207 WeakPolarHBondContact CB-O 3.39Å
168	A	98.8	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-48.5	-178	0	0	0	0	0	112.3	M133 V147 M161 N164 I165 F166 L171 H172	M133-A168 HydrophobicContact SD-CB 4.15Å; V147-A168 HydrophobicContact CB-CB 3.89Å; V147-A168 HydrophobicContact CG1-CB 3.55Å; V147-A168 HydrophobicContact CG2-CB 4.42Å; M161-A168 HydrophobicContact CB-CB 3.99Å; M161-A168 WeakPolarHBondContact O-CA 3.49Å; M161-A168 WeakPolarHBondContact O-CB 3.37Å; M161-A168 PolarHBondContact O-N 2.94Å; N164-A168 PolarHBondContact O-N 3.41Å; I165-A168 PolarHBondContact O-N 3.11Å; F166-A168 PolarHBondContact O-N 2.86Å; A168-L171 PolarHBondContact O-N 3.31Å; A168-H172 PolarHBondContact O-N 3.5Å
169	V	98.8	Very high	96.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-39.9	179	175	0	0	0	0	111.2	F61 L81 L123 I165 A167 H172 L173 L197	F61-V169 HydrophobicContact CE1-CG2 4.4Å; F61-V169 HydrophobicContact CE2-CB 4.32Å; F61-V169 HydrophobicContact CE2-CG1 4.47Å; F61-V169 HydrophobicContact CE2-CG2 4.09Å; F61-V169 HydrophobicContact CZ-CB 4.25Å; F61-V169 HydrophobicContact CZ-CG1 4.22Å; F61-V169 HydrophobicContact CZ-CG2 3.68Å; L81-V169 HydrophobicContact CD1-CG1 3.51Å; L123-V169 HydrophobicContact CD1-CG2 3.63Å; I165-V169 HydrophobicContact CG1-CG2 4.19Å; I165-V169 WeakPolarHBondContact O-CG2 3.35Å; I165-V169 PolarHBondContact O-N 2.88Å; A167-V169 PolarHBondContact O-N 2.98Å; V169-H172 PolarHBondContact O-N 3.15Å; V169-L173 WeakPolarHBondContact O-CB 3.36Å; V169-L173 PolarHBondContact O-N 2.68Å; V169-L197 HydrophobicContact CG1-CD1 3.94Å; V169-L197 HydrophobicContact CG1-CD2 4.44Å
170	Y	98.6	Very high	95.1	Very high	23 Å²	23	37.1 Å²	37.1	9%	0.09	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-43.9	175.5	169.1	-101.8	0	0	0	112.3	F166 A167 H172 L173 L174 E194 R198 L208	F166-Y170 WeakPolarHBondContact O-CB 3.47Å; F166-Y170 PolarHBondContact O-N 2.79Å; A167-Y170 PolarHBondContact O-N 2.89Å; Y170-H172 VanDerWaalsContact C-N 3.34Å; Y170-H172 PolarHBondContact O-N 2.74Å; Y170-L173 WeakPolarHBondContact O-CB 3.46Å; Y170-L173 PolarHBondContact O-N 2.84Å; Y170-L174 HydrophobicContact CD1-CD1 4.29Å; Y170-L174 HydrophobicContact CE1-CD1 3.59Å; Y170-L174 HydrophobicContact CE1-CG 4.16Å; Y170-L174 HydrophobicContact CE2-CD1 4.28Å; Y170-L174 HydrophobicContact CE2-CD2 4.05Å; Y170-L174 HydrophobicContact CE2-CG 4.09Å; Y170-L174 WeakPolarHBondContact O-CG 3.5Å; Y170-L174 PolarHBondContact O-N 3.5Å; Y170-E194 HydrophobicContact CD2-CG 4.43Å; Y170-E194 HydrophobicContact CE2-CG 4.11Å; Y170-R198 HydrophobicContact CE2-CG 4.2Å; Y170-R198 VanDerWaalsContact CE2-CZ 3.48Å; Y170-R198 PolarHBondContact OH-NH1 3.49Å; Y170-R198 PolarHBondContact OH-NH2 2.81Å; Y170-L208 HydrophobicContact CD1-CB 3.75Å; Y170-L208 HydrophobicContact CD1-CD1 4.2Å; Y170-L208 HydrophobicContact CD1-CD2 4.38Å; Y170-L208 HydrophobicContact CD1-CG 4.34Å; Y170-L208 HydrophobicContact CD2-CD1 4.18Å; Y170-L208 HydrophobicContact CE1-CB 3.94Å; Y170-L208 HydrophobicContact CE1-CD1 4.4Å; Y170-L208 HydrophobicContact CE2-CD1 4.41Å; Y170-L208 HydrophobicContact CG-CB 4.37Å; Y170-L208 HydrophobicContact CG-CD1 4.06Å; Y170-L208 HydrophobicContact CG-CD2 4.26Å; Y170-L208 HydrophobicContact CG-CG 4.48Å
171	L	98.4	Very high	93.4	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-38.8	177.5	-69.3	162.3	0	0	0	111.9	M161 A167 A168 L174 R175 Q210	M161-L171 HydrophobicContact CB-CD1 4.47Å; M161-L171 HydrophobicContact CE-CB 3.69Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 WeakPolarHBondContact O-CD1 3.34Å; A167-L171 WeakPolarHBondContact O-CG 3.47Å; A167-L171 PolarHBondContact O-N 3.27Å; A168-L171 PolarHBondContact O-N 3.31Å; L171-L174 PolarHBondContact O-N 3.24Å; L171-R175 PolarHBondContact O-N 2.98Å; L171-Q210 HydrophobicContact CD1-CB 3.86Å; L171-Q210 HydrophobicContact CD1-CG 4.08Å; L171-Q210 HydrophobicContact CD2-CB 3.9Å
172	H	97.9	Very high	91.7	Very high	24 Å²	24	46.3 Å²	46.3	11%	0.111	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-43.3	172.2	-177.3	76.4	0	0	0	112	L81 L83 H131 M133 A168 V169 Y170 L174 R175 K176	L81-H172 PolarHBondContact O-NE2 3.44Å; L83-H172 HydrophobicContact CD1-CB 4.38Å; L83-H172 VanDerWaalsContact CD1-CD2 3.44Å; L83-H172 WeakPolarHBondContact CD1-CD2 3.42Å; H131-H172 AromaticContact CE1-CE1 3.57Å; H131-H172 AromaticContact CE1-ND1 3.7Å; M133-H172 HydrophobicContact CE-CB 3.73Å; A168-H172 PolarHBondContact O-N 3.5Å; V169-H172 PolarHBondContact O-N 3.15Å; Y170-H172 VanDerWaalsContact C-N 3.34Å; Y170-H172 PolarHBondContact O-N 2.74Å; H172-L174 PolarHBondContact O-N 2.88Å; H172-R175 WeakPolarHBondContact O-CB 3.41Å; H172-R175 PolarHBondContact O-N 3.22Å; H172-K176 WeakPolarHBondContact O-CB 3.42Å; H172-K176 PolarHBondContact O-N 3.17Å
173	L	97.3	Very high	90.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57	-48	174.1	-177.9	159.3	0	0	0	111	L81 V169 Y170 R175 K176 K177 L190 L193 E194 L197	L81-L173 HydrophobicContact CD1-CB 4.41Å; L81-L173 HydrophobicContact CD2-CB 3.85Å; L81-L173 HydrophobicContact CD2-CD1 4.21Å; L81-L173 HydrophobicContact CD2-CG 3.95Å; V169-L173 WeakPolarHBondContact O-CB 3.36Å; V169-L173 PolarHBondContact O-N 2.68Å; Y170-L173 WeakPolarHBondContact O-CB 3.46Å; Y170-L173 PolarHBondContact O-N 2.84Å; L173-R175 VanDerWaalsContact C-N 3.3Å; L173-R175 PolarHBondContact O-N 3.24Å; L173-K176 PolarHBondContact O-N 3Å; L173-K177 HydrophobicContact CD2-CD 3.6Å; L173-K177 HydrophobicContact CD2-CG 4.08Å; L173-K177 PolarHBondContact O-N 2.96Å; L173-L190 HydrophobicContact CG-CD2 4.1Å; L173-L193 HydrophobicContact CD1-CB 4.23Å; L173-L193 HydrophobicContact CD1-CD2 4.1Å; L173-L193 HydrophobicContact CD1-CG 3.97Å; L173-E194 HydrophobicContact CD1-CB 4.06Å; L173-E194 HydrophobicContact CD2-CB 3.9Å; L173-E194 HydrophobicContact CD2-CG 4.02Å; L173-L197 HydrophobicContact CD1-CD1 3.96Å
174	L	95.8	Very high	89.4	Confident	47 Å²	47	61.2 Å²	61.2	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-39.4	177.7	-69.6	-173.8	0	0	0	112.4	Y170 L171 H172 K177 K178	Y170-L174 HydrophobicContact CD1-CD1 4.29Å; Y170-L174 HydrophobicContact CE1-CD1 3.59Å; Y170-L174 HydrophobicContact CE1-CG 4.16Å; Y170-L174 HydrophobicContact CE2-CD1 4.28Å; Y170-L174 HydrophobicContact CE2-CD2 4.05Å; Y170-L174 HydrophobicContact CE2-CG 4.09Å; Y170-L174 WeakPolarHBondContact O-CG 3.5Å; Y170-L174 PolarHBondContact O-N 3.5Å; L171-L174 PolarHBondContact O-N 3.24Å; H172-L174 PolarHBondContact O-N 2.88Å; L174-K177 PolarHBondContact O-N 3.2Å; L174-K178 WeakPolarHBondContact O-CG 3.23Å; L174-K178 PolarHBondContact O-N 3.35Å
175	R	94.6	Very high	88.5	Confident	81 Å²	81	64.5 Å²	64.5	31%	0.306	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-47.4	175.2	-164.5	-173.4	-55.5	-176.6	6.8	110.5	E149 M161 L171 H172 L173 K177 K178 E179	E149-R175 IonicContact OE1-CZ 3.72Å; E149-R175 IonicContact OE1-NH1 3.69Å; E149-R175 IonicContact OE1-NH2 3.46Å; E149-R175 PolarHBondContact OE1-NH2 3.25Å; E149-R175 IonicContact OE2-CZ 3.49Å; E149-R175 VanDerWaalsContact OE2-CZ 3.27Å; E149-R175 IonicContact OE2-NH1 2.7Å; E149-R175 PolarHBondContact OE2-NH1 3.17Å; E149-R175 IonicContact OE2-NH2 2.81Å; E149-R175 PolarHBondContact OE2-NH2 3.08Å; M161-R175 VanDerWaalsContact CE-NH2 3.34Å; M161-R175 PolarHBondContact SD-NH2 3.48Å; L171-R175 PolarHBondContact O-N 2.98Å; H172-R175 WeakPolarHBondContact O-CB 3.41Å; H172-R175 PolarHBondContact O-N 3.22Å; L173-R175 VanDerWaalsContact C-N 3.3Å; L173-R175 PolarHBondContact O-N 3.24Å; R175-K177 VanDerWaalsContact C-N 3.3Å; R175-K177 PolarHBondContact O-N 3.37Å; R175-K178 WeakPolarHBondContact O-CB 3.36Å; R175-K178 PolarHBondContact O-N 2.93Å; R175-E179 WeakPolarHBondContact CG-OE1 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.41Å; R175-E179 PolarHBondContact O-N 3.37Å
176	K	91.8	Very high	87.7	Confident	51 Å²	51	69.2 Å²	69.2	22%	0.222	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-34.1	177.5	-166.7	171.3	-173.5	173.9	0	113	T80 L81 H172 L173	T80-K176 WeakPolarHBondContact O-CE 3.33Å; T80-K176 PolarHBondContact O-NZ 2.89Å; L81-K176 VanDerWaalsContact CA-NZ 3.32Å; L81-K176 HydrophobicContact CD2-CD 4.22Å; L81-K176 PolarHBondContact O-NZ 3.39Å; H172-K176 WeakPolarHBondContact O-CB 3.42Å; H172-K176 PolarHBondContact O-N 3.17Å; L173-K176 PolarHBondContact O-N 3Å
177	K	91.4	Very high	87.1	Confident	70 Å²	70	73.8 Å²	73.8	30%	0.304	35%	0.354	S	S	.	.	H	α-helix	trans	-64.6	-38.7	172.2	-76.3	-176.5	68.4	159.1	0	112.1	L173 L174 R175 L190 E194	L173-K177 HydrophobicContact CD2-CD 3.6Å; L173-K177 HydrophobicContact CD2-CG 4.08Å; L173-K177 PolarHBondContact O-N 2.96Å; L174-K177 PolarHBondContact O-N 3.2Å; R175-K177 VanDerWaalsContact C-N 3.3Å; R175-K177 PolarHBondContact O-N 3.37Å; K177-L190 HydrophobicContact CD-CB 4.49Å; K177-L190 HydrophobicContact CG-CB 4.29Å; K177-L190 HydrophobicContact CG-CD1 3.93Å; K177-E194 WeakPolarHBondContact CD-OE2 3.16Å; K177-E194 IonicContact NZ-OE2 2.81Å; K177-E194 PolarHBondContact NZ-OE2 2.87Å
178	K	89.3	Confident	86.8	Confident	180 Å²	180	78.5 Å²	78.5	78%	0.783	38%	0.376	S	S	*	.	H	α-helix	trans	-73.9	-32.7	178.9	-69.1	176.7	-178	-179.7	0	113.6	L174 R175 R180	L174-K178 WeakPolarHBondContact O-CG 3.23Å; L174-K178 PolarHBondContact O-N 3.35Å; R175-K178 WeakPolarHBondContact O-CB 3.36Å; R175-K178 PolarHBondContact O-N 2.93Å; K178-R180 VanDerWaalsContact C-N 3.28Å; K178-R180 PolarHBondContact O-N 3.41Å
179	E	84.8	Confident	86.4	Confident	145 Å²	145	80.4 Å²	80.4	68%	0.678	39%	0.392	S	S	*	.	S	Bend	trans	-78.8	-8.3	-178	-69.9	171.6	176	0	0	113.4	R175	R175-E179 WeakPolarHBondContact CG-OE1 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.41Å; R175-E179 PolarHBondContact O-N 3.37Å
180	R	71.5	Confident	86.2	Confident	56 Å²	56	80.6 Å²	80.6	21%	0.211	39%	0.393	C	S	.	.			trans	-94.8	141.6	-172.8	-97.4	178.4	79	-118	-8.9	114.4	K178 K183 E186	K178-R180 VanDerWaalsContact C-N 3.28Å; K178-R180 PolarHBondContact O-N 3.41Å; R180-K183 PolarHBondContact NH2-O 3.06Å; R180-E186 VanDerWaalsContact CZ-CB 3.49Å; R180-E186 IonicContact CZ-OE2 2.99Å; R180-E186 VanDerWaalsContact CZ-OE2 3.23Å; R180-E186 IonicContact NE-OE2 3.3Å; R180-E186 PolarHBondContact NE-OE2 2.98Å; R180-E186 IonicContact NH2-OE2 3.9Å; R180-E186 PolarHBondContact NH2-OE2 3.11Å
181	N	62.2	Low	86	Confident	178 Å²	178	84 Å²	84	95%	0.952	41%	0.41	S	S	*	.			trans	-116	32.7	161.3	-68.7	-22.9	0	0	0	110.8
182	G	63.5	Low	85.9	Confident	43 Å²	43	85.7 Å²	85.7	44%	0.443	42%	0.423	S	S	.	.			trans	-88	-179.3	-159.1	0	0	0	0	0	117.3
183	K	67.9	Low	85.9	Confident	168 Å²	168	85 Å²	85	73%	0.73	42%	0.421	S	S	*	.			trans	-72.4	150.7	-179	-63.5	172.4	-178.5	172	0	112	R180 A185 E186 E187	R180-K183 PolarHBondContact NH2-O 3.06Å; K183-A185 PolarHBondContact O-N 2.91Å; K183-E186 PolarHBondContact O-N 3.22Å; K183-E187 PolarHBondContact O-N 2.97Å
184	R	79.7	Confident	85.9	Confident	190 Å²	190	86.2 Å²	86.2	72%	0.717	43%	0.426	S	S	*	.	H	α-helix	trans	-52.1	-42.4	-177.8	-174.7	175.8	173.6	153	4.4	115.1	E186 E187 E188	R184-E186 VanDerWaalsContact C-N 3.35Å; R184-E186 PolarHBondContact O-N 2.9Å; R184-E187 WeakPolarHBondContact O-CB 3.4Å; R184-E187 PolarHBondContact O-N 3.29Å; R184-E187 VanDerWaalsContact O-N 3.09Å; R184-E188 WeakPolarHBondContact CG-OE1 3.42Å; R184-E188 IonicContact CZ-OE1 3.73Å; R184-E188 IonicContact NE-OE1 3.53Å; R184-E188 PolarHBondContact NE-OE1 3.07Å; R184-E188 IonicContact NH2-OE1 3.32Å; R184-E188 PolarHBondContact O-N 3.44Å
185	A	79.9	Confident	86	Confident	73 Å²	73	86.8 Å²	86.8	60%	0.603	43%	0.434	S	S	*	.	H	α-helix	trans	-64	-35.9	-177.1	0	0	0	0	0	113.9	K183 E187 A189	K183-A185 PolarHBondContact O-N 2.91Å; A185-E187 VanDerWaalsContact C-N 3.34Å; A185-A189 PolarHBondContact O-N 3.22Å; A185-A189 VanDerWaalsContact O-N 3.09Å
186	E	82.6	Confident	86.2	Confident	99 Å²	99	87.7 Å²	87.7	46%	0.463	44%	0.44	S	S	.	.	H	α-helix	trans	-72.5	-28.6	175.1	-77.1	167.3	-162.5	0	0	111.9	R180 K183 R184 L190	R180-E186 VanDerWaalsContact CZ-CB 3.49Å; R180-E186 IonicContact CZ-OE2 2.99Å; R180-E186 VanDerWaalsContact CZ-OE2 3.23Å; R180-E186 IonicContact NE-OE2 3.3Å; R180-E186 PolarHBondContact NE-OE2 2.98Å; R180-E186 IonicContact NH2-OE2 3.9Å; R180-E186 PolarHBondContact NH2-OE2 3.11Å; K183-E186 PolarHBondContact O-N 3.22Å; R184-E186 VanDerWaalsContact C-N 3.35Å; R184-E186 PolarHBondContact O-N 2.9Å; E186-L190 WeakPolarHBondContact O-CG 3.36Å; E186-L190 PolarHBondContact O-N 3.17Å; E186-L190 VanDerWaalsContact O-N 3.08Å
187	E	86	Confident	86.5	Confident	97 Å²	97	85.3 Å²	85.3	45%	0.453	43%	0.43	S	S	.	.	H	α-helix	trans	-68.2	-48.1	173.3	-175.7	174	-158.2	0	0	110.6	K183 R184 A185 A189 L190 E191	K183-E187 PolarHBondContact O-N 2.97Å; R184-E187 WeakPolarHBondContact O-CB 3.4Å; R184-E187 PolarHBondContact O-N 3.29Å; R184-E187 VanDerWaalsContact O-N 3.09Å; A185-E187 VanDerWaalsContact C-N 3.34Å; E187-A189 VanDerWaalsContact C-N 3.27Å; E187-A189 PolarHBondContact O-N 3.34Å; E187-L190 PolarHBondContact O-N 2.92Å; E187-L190 VanDerWaalsContact O-N 3.12Å; E187-E191 WeakPolarHBondContact O-CG 3.13Å; E187-E191 PolarHBondContact O-N 3.21Å
188	E	91.1	Very high	86.8	Confident	99 Å²	99	86.5 Å²	86.5	46%	0.463	43%	0.432	S	S	.	.	H	α-helix	trans	-57.8	-39.6	174.6	-69.1	171.7	-175.8	0	0	111.6	R184 E191 S192	R184-E188 WeakPolarHBondContact CG-OE1 3.42Å; R184-E188 IonicContact CZ-OE1 3.73Å; R184-E188 IonicContact NE-OE1 3.53Å; R184-E188 PolarHBondContact NE-OE1 3.07Å; R184-E188 IonicContact NH2-OE1 3.32Å; R184-E188 PolarHBondContact O-N 3.44Å; E188-E191 PolarHBondContact O-N 2.99Å; E188-S192 WeakPolarHBondContact O-CB 3.15Å; E188-S192 PolarHBondContact O-N 3.34Å
189	A	92.1	Very high	87.2	Confident	39 Å²	39	81.9 Å²	81.9	32%	0.322	42%	0.417	S	S	.	.	H	α-helix	trans	-65.3	-42.4	175.3	0	0	0	0	0	113.2	T80 A185 E187 L193	T80-A189 HydrophobicContact CG2-CB 4.45Å; A185-A189 PolarHBondContact O-N 3.22Å; A185-A189 VanDerWaalsContact O-N 3.09Å; E187-A189 VanDerWaalsContact C-N 3.27Å; E187-A189 PolarHBondContact O-N 3.34Å; A189-L193 WeakPolarHBondContact O-CB 3.37Å; A189-L193 PolarHBondContact O-N 3.21Å
190	L	93.6	Very high	87.8	Confident	4 Å²	4	77 Å²	77	2%	0.021	39%	0.394	C	S	.	.	H	α-helix	trans	-66.2	-41.8	176	-77.2	170.1	0	0	0	111.8	T80 L81 L173 K177 E186 E187 L193 E194	T80-L190 HydrophobicContact CG2-CD2 3.72Å; T80-L190 HydrophobicContact CG2-CG 4.18Å; L81-L190 HydrophobicContact CD2-CD2 3.62Å; L173-L190 HydrophobicContact CG-CD2 4.1Å; K177-L190 HydrophobicContact CD-CB 4.49Å; K177-L190 HydrophobicContact CG-CB 4.29Å; K177-L190 HydrophobicContact CG-CD1 3.93Å; E186-L190 WeakPolarHBondContact O-CG 3.36Å; E186-L190 PolarHBondContact O-N 3.17Å; E186-L190 VanDerWaalsContact O-N 3.08Å; E187-L190 PolarHBondContact O-N 2.92Å; E187-L190 VanDerWaalsContact O-N 3.12Å; L190-L193 PolarHBondContact O-N 3.06Å; L190-E194 VanDerWaalsContact O-CB 3.3Å; L190-E194 WeakPolarHBondContact O-CB 3.4Å; L190-E194 PolarHBondContact O-N 2.84Å
191	E	94.9	Very high	89.1	Confident	96 Å²	96	74.4 Å²	74.4	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-42.6	177.5	-71.3	-178.4	161.8	0	0	111.9	E187 E188 E194 S195	E187-E191 WeakPolarHBondContact O-CG 3.13Å; E187-E191 PolarHBondContact O-N 3.21Å; E188-E191 PolarHBondContact O-N 2.99Å; E191-E194 PolarHBondContact O-N 3.47Å; E191-S195 PolarHBondContact O-N 2.85Å
192	S	96.3	Very high	90.8	Very high	59 Å²	59	73.1 Å²	73.1	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-46.2	175	-173.8	0	0	0	0	111.6	E188 S195 K196	E188-S192 WeakPolarHBondContact O-CB 3.15Å; E188-S192 PolarHBondContact O-N 3.34Å; S192-S195 PolarHBondContact O-N 2.8Å; S192-K196 WeakPolarHBondContact O-CG 3.31Å; S192-K196 PolarHBondContact O-N 2.89Å; S192-K196 VanDerWaalsContact O-N 3.13Å
193	L	97.3	Very high	92.4	Very high	11 Å²	11	74.8 Å²	74.8	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-65.7	-39.7	177.3	-178.7	59.7	0	0	0	111.8	F64 L68 V77 T80 L81 L173 A189 L190 K196 L197	F64-L193 HydrophobicContact CE1-CD1 4.31Å; F64-L193 HydrophobicContact CZ-CD1 4.12Å; L68-L193 HydrophobicContact CD1-CD1 3.83Å; V77-L193 HydrophobicContact CG1-CD1 4.22Å; V77-L193 HydrophobicContact CG1-CD2 4.11Å; T80-L193 HydrophobicContact CG2-CB 4.41Å; T80-L193 HydrophobicContact CG2-CD2 3.74Å; L81-L193 HydrophobicContact CD1-CD2 3.72Å; L81-L193 HydrophobicContact CD2-CD2 4.21Å; L81-L193 HydrophobicContact CG-CD2 3.75Å; L173-L193 HydrophobicContact CD1-CB 4.23Å; L173-L193 HydrophobicContact CD1-CD2 4.1Å; L173-L193 HydrophobicContact CD1-CG 3.97Å; A189-L193 WeakPolarHBondContact O-CB 3.37Å; A189-L193 PolarHBondContact O-N 3.21Å; L190-L193 PolarHBondContact O-N 3.06Å; L193-K196 PolarHBondContact O-N 2.89Å; L193-L197 HydrophobicContact CD1-CD1 4.14Å; L193-L197 HydrophobicContact CD1-CG 4.17Å; L193-L197 HydrophobicContact CG-CD1 3.9Å; L193-L197 HydrophobicContact CG-CG 4.39Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 WeakPolarHBondContact O-CG 3.46Å; L193-L197 PolarHBondContact O-N 2.79Å
194	E	97.7	Very high	93.7	Very high	24 Å²	24	67.3 Å²	67.3	11%	0.112	34%	0.342	C	S	.	.	H	α-helix	trans	-59.6	-47.9	176.5	-171.1	-176.7	161.8	0	0	111.3	Y170 L173 K177 L190 E191 L197 R198	Y170-E194 HydrophobicContact CD2-CG 4.43Å; Y170-E194 HydrophobicContact CE2-CG 4.11Å; L173-E194 HydrophobicContact CD1-CB 4.06Å; L173-E194 HydrophobicContact CD2-CB 3.9Å; L173-E194 HydrophobicContact CD2-CG 4.02Å; K177-E194 WeakPolarHBondContact CD-OE2 3.16Å; K177-E194 IonicContact NZ-OE2 2.81Å; K177-E194 PolarHBondContact NZ-OE2 2.87Å; L190-E194 VanDerWaalsContact O-CB 3.3Å; L190-E194 WeakPolarHBondContact O-CB 3.4Å; L190-E194 PolarHBondContact O-N 2.84Å; E191-E194 PolarHBondContact O-N 3.47Å; E194-L197 PolarHBondContact O-N 2.97Å; E194-R198 WeakPolarHBondContact O-CB 3.36Å; E194-R198 VanDerWaalsContact O-CG 3.31Å; E194-R198 WeakPolarHBondContact O-CG 3.41Å; E194-R198 PolarHBondContact O-N 3.31Å; E194-R198 IonicContact OE1-CZ 3.92Å; E194-R198 IonicContact OE1-NE 3.23Å; E194-R198 PolarHBondContact OE1-NE 2.91Å; E194-R198 IonicContact OE1-NH2 2.72Å; E194-R198 PolarHBondContact OE1-NH2 3.45Å
195	S	98	Very high	94.6	Very high	59 Å²	59	61.4 Å²	61.4	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-52.3	177.4	-168.8	0	0	0	0	110.7	E191 S192 L197 R198 D199	E191-S195 PolarHBondContact O-N 2.85Å; S192-S195 PolarHBondContact O-N 2.8Å; S195-L197 VanDerWaalsContact C-N 3.33Å; S195-L197 PolarHBondContact O-N 3.19Å; S195-R198 PolarHBondContact O-N 2.81Å; S195-R198 VanDerWaalsContact O-N 3.15Å; S195-D199 WeakPolarHBondContact O-CB 3.45Å; S195-D199 PolarHBondContact O-N 3.47Å; S195-D199 PolarHBondContact OG-OD2 3.3Å
196	K	98.1	Very high	95.4	Very high	101 Å²	101	59.7 Å²	59.7	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-41.3	-179.4	-69.2	178.7	-177.2	179.5	0	112.6	F64 L68 S192 L193 Q200	F64-K196 HydrophobicContact CE2-CB 3.94Å; F64-K196 HydrophobicContact CZ-CB 4.13Å; L68-K196 HydrophobicContact CD2-CD 3.63Å; S192-K196 WeakPolarHBondContact O-CG 3.31Å; S192-K196 PolarHBondContact O-N 2.89Å; S192-K196 VanDerWaalsContact O-N 3.13Å; L193-K196 PolarHBondContact O-N 2.89Å; K196-Q200 VanDerWaalsContact O-CB 3.27Å; K196-Q200 WeakPolarHBondContact O-CB 3.45Å; K196-Q200 PolarHBondContact O-N 2.99Å
197	L	97.9	Very high	96.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-43.6	176.5	-81.2	168.6	0	0	0	111.8	F61 F64 F166 V169 L173 L193 E194 S195 A201	F61-L197 HydrophobicContact CE2-CD2 4Å; F64-L197 HydrophobicContact CD1-CD2 4.25Å; F64-L197 HydrophobicContact CE1-CD2 3.46Å; F64-L197 VanDerWaalsContact CE1-CD2 3.46Å; F64-L197 HydrophobicContact CE1-CG 4.04Å; F64-L197 HydrophobicContact CZ-CD2 3.65Å; F64-L197 HydrophobicContact CZ-CG 3.8Å; F166-L197 HydrophobicContact CD1-CD2 4.02Å; V169-L197 HydrophobicContact CG1-CD1 3.94Å; V169-L197 HydrophobicContact CG1-CD2 4.44Å; L173-L197 HydrophobicContact CD1-CD1 3.96Å; L193-L197 HydrophobicContact CD1-CD1 4.14Å; L193-L197 HydrophobicContact CD1-CG 4.17Å; L193-L197 HydrophobicContact CG-CD1 3.9Å; L193-L197 HydrophobicContact CG-CG 4.39Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 WeakPolarHBondContact O-CG 3.46Å; L193-L197 PolarHBondContact O-N 2.79Å; E194-L197 PolarHBondContact O-N 2.97Å; S195-L197 VanDerWaalsContact C-N 3.33Å; S195-L197 PolarHBondContact O-N 3.19Å; L197-A201 VanDerWaalsContact O-CB 3.26Å; L197-A201 WeakPolarHBondContact O-CB 3.41Å; L197-A201 PolarHBondContact O-N 3.09Å
198	R	98.3	Very high	96.8	Very high	95 Å²	95	53.8 Å²	53.8	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-49.3	177.8	-73.7	175.5	179.6	-80.8	8.9	111.7	Y170 E194 S195 Q200 A201 E202 L208	Y170-R198 HydrophobicContact CE2-CG 4.2Å; Y170-R198 VanDerWaalsContact CE2-CZ 3.48Å; Y170-R198 PolarHBondContact OH-NH1 3.49Å; Y170-R198 PolarHBondContact OH-NH2 2.81Å; E194-R198 WeakPolarHBondContact O-CB 3.36Å; E194-R198 VanDerWaalsContact O-CG 3.31Å; E194-R198 WeakPolarHBondContact O-CG 3.41Å; E194-R198 PolarHBondContact O-N 3.31Å; E194-R198 IonicContact OE1-CZ 3.92Å; E194-R198 IonicContact OE1-NE 3.23Å; E194-R198 PolarHBondContact OE1-NE 2.91Å; E194-R198 IonicContact OE1-NH2 2.72Å; E194-R198 PolarHBondContact OE1-NH2 3.45Å; S195-R198 PolarHBondContact O-N 2.81Å; S195-R198 VanDerWaalsContact O-N 3.15Å; R198-Q200 VanDerWaalsContact C-N 3.29Å; R198-Q200 PolarHBondContact O-N 2.72Å; R198-A201 PolarHBondContact O-N 2.96Å; R198-E202 WeakPolarHBondContact O-CB 3.21Å; R198-E202 PolarHBondContact O-N 2.94Å; R198-L208 HydrophobicContact CG-CD1 3.99Å
199	D	98.1	Very high	97.1	Very high	84 Å²	84	54.2 Å²	54.2	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-42.7	-178.7	-62.7	-23.9	0	0	0	110.5	S195 T203	S195-D199 WeakPolarHBondContact O-CB 3.45Å; S195-D199 PolarHBondContact O-N 3.47Å; S195-D199 PolarHBondContact OG-OD2 3.3Å; D199-T203 VanDerWaalsContact O-CB 3.27Å; D199-T203 WeakPolarHBondContact O-CB 3.48Å; D199-T203 PolarHBondContact O-N 3.01Å; D199-T203 PolarHBondContact O-OG1 3.2Å
200	Q	97.8	Very high	97.3	Very high	43 Å²	43	57.4 Å²	57.4	20%	0.201	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-45.1	178.1	-167.9	69.6	-2.1	0	0	112.1	F64 F166 K196 R198 T203 L204	F64-Q200 HydrophobicContact CB-CG 4.46Å; F64-Q200 HydrophobicContact CD2-CB 4.02Å; F64-Q200 HydrophobicContact CD2-CG 3.86Å; F64-Q200 HydrophobicContact CE2-CB 4.23Å; F64-Q200 HydrophobicContact CG-CG 4.46Å; F166-Q200 HydrophobicContact CE1-CB 4.14Å; F166-Q200 HydrophobicContact CE1-CG 3.71Å; F166-Q200 HydrophobicContact CZ-CG 4.06Å; K196-Q200 VanDerWaalsContact O-CB 3.27Å; K196-Q200 WeakPolarHBondContact O-CB 3.45Å; K196-Q200 PolarHBondContact O-N 2.99Å; R198-Q200 VanDerWaalsContact C-N 3.29Å; R198-Q200 PolarHBondContact O-N 2.72Å; Q200-T203 PolarHBondContact O-N 3.38Å; Q200-L204 HydrophobicContact CG-CD1 3.87Å; Q200-L204 WeakPolarHBondContact O-CB 3.49Å; Q200-L204 VanDerWaalsContact O-CG 3.29Å; Q200-L204 WeakPolarHBondContact O-CG 3.49Å; Q200-L204 PolarHBondContact O-N 2.85Å
201	A	97.8	Very high	97.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-42.3	177.8	0	0	0	0	0	111.8	F166 L197 R198 L204 G205 F206 L208	F166-A201 HydrophobicContact CB-CB 4.34Å; F166-A201 HydrophobicContact CD1-CB 4.49Å; L197-A201 VanDerWaalsContact O-CB 3.26Å; L197-A201 WeakPolarHBondContact O-CB 3.41Å; L197-A201 PolarHBondContact O-N 3.09Å; R198-A201 PolarHBondContact O-N 2.96Å; A201-L204 PolarHBondContact O-N 3.19Å; A201-G205 CarbonylContact O-C 3.33Å; A201-G205 PolarHBondContact O-N 3.39Å; A201-F206 HydrophobicContact CB-CB 4.31Å; A201-F206 PolarHBondContact O-N 2.79Å; A201-L208 HydrophobicContact CB-CD1 4.07Å; A201-L208 HydrophobicContact CB-CD2 3.71Å; A201-L208 HydrophobicContact CB-CG 3.91Å
202	E	97.6	Very high	97.6	Very high	151 Å²	151	55.5 Å²	55.5	71%	0.706	30%	0.297	S	S	*	.	H	α-helix	trans	-63.6	-43.8	175.5	-178.4	173.1	-173.8	0	0	111.8	R198 L204 G205	R198-E202 WeakPolarHBondContact O-CB 3.21Å; R198-E202 PolarHBondContact O-N 2.94Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 3.02Å; E202-G205 PolarHBondContact O-N 3.18Å
203	T	97.1	Very high	97.7	Very high	77 Å²	77	60.7 Å²	60.7	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-41.9	178.2	-63.6	0	0	0	0	111.8	L34 D199 Q200	L34-T203 HydrophobicContact CD1-CG2 3.81Å; D199-T203 VanDerWaalsContact O-CB 3.27Å; D199-T203 WeakPolarHBondContact O-CB 3.48Å; D199-T203 PolarHBondContact O-N 3.01Å; D199-T203 PolarHBondContact O-OG1 3.2Å; Q200-T203 PolarHBondContact O-N 3.38Å
204	L	96.9	Very high	97.7	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-86.2	-10.2	-178.9	-63	172.7	0	0	0	113.7	L34 H60 F166 Q200 A201 E202 F206	L34-L204 HydrophobicContact CB-CD2 4.09Å; L34-L204 HydrophobicContact CD1-CD2 4.44Å; H60-L204 HydrophobicContact CB-CD1 3.65Å; F166-L204 HydrophobicContact CE2-CD1 4.37Å; F166-L204 HydrophobicContact CZ-CD1 4.09Å; Q200-L204 HydrophobicContact CG-CD1 3.87Å; Q200-L204 WeakPolarHBondContact O-CB 3.49Å; Q200-L204 VanDerWaalsContact O-CG 3.29Å; Q200-L204 WeakPolarHBondContact O-CG 3.49Å; Q200-L204 PolarHBondContact O-N 2.85Å; A201-L204 PolarHBondContact O-N 3.19Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 3.02Å; L204-F206 HydrophobicContact CB-CD2 3.64Å; L204-F206 HydrophobicContact CB-CE2 3.74Å; L204-F206 HydrophobicContact CB-CG 4.49Å; L204-F206 HydrophobicContact CD1-CD2 4.06Å; L204-F206 HydrophobicContact CD1-CE2 3.8Å; L204-F206 HydrophobicContact CG-CE2 4.4Å
205	G	97.2	Very high	97.8	Very high	66 Å²	66	61.7 Å²	61.7	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	22.9	-178.5	0	0	0	0	0	114.7	A201 E202	A201-G205 CarbonylContact O-C 3.33Å; A201-G205 PolarHBondContact O-N 3.39Å; E202-G205 PolarHBondContact O-N 3.18Å
206	F	98	Very high	97.8	Very high	36 Å²	36	63.9 Å²	63.9	16%	0.158	33%	0.325	C	S	.	.			trans	-83.4	131.5	175.2	-66.7	-52.2	0	0	0	111.6	M33 D57 H60 N164 F166 A201 L204	M33-F206 HydrophobicContact CE-CD1 4.35Å; M33-F206 HydrophobicContact CE-CE1 3.36Å; M33-F206 HydrophobicContact CE-CE2 3.93Å; M33-F206 HydrophobicContact CE-CZ 3.09Å; D57-F206 VanDerWaalsContact CA-CZ 3.41Å; D57-F206 HydrophobicContact CB-CD1 4.28Å; D57-F206 HydrophobicContact CB-CD2 4.48Å; D57-F206 HydrophobicContact CB-CE1 3.68Å; D57-F206 HydrophobicContact CB-CE2 3.89Å; D57-F206 HydrophobicContact CB-CZ 3.44Å; D57-F206 VanDerWaalsContact CB-CZ 3.44Å; H60-F206 HydrophobicContact CB-CE2 4.12Å; N164-F206 HydrophobicContact CB-CD1 4.43Å; F166-F206 AromaticContact CD2-CD2 3.63Å; F166-F206 HydrophobicContact CD2-CD2 3.63Å; F166-F206 HydrophobicContact CD2-CE2 4.01Å; F166-F206 HydrophobicContact CD2-CG 4.38Å; F166-F206 AromaticContact CE2-CD2 3.81Å; F166-F206 HydrophobicContact CE2-CD2 3.81Å; F166-F206 AromaticContact CE2-CE2 3.79Å; F166-F206 HydrophobicContact CE2-CE2 3.79Å; F166-F206 HydrophobicContact CG-CD2 4.38Å; A201-F206 HydrophobicContact CB-CB 4.31Å; A201-F206 PolarHBondContact O-N 2.79Å; L204-F206 HydrophobicContact CB-CD2 3.64Å; L204-F206 HydrophobicContact CB-CE2 3.74Å; L204-F206 HydrophobicContact CB-CG 4.49Å; L204-F206 HydrophobicContact CD1-CD2 4.06Å; L204-F206 HydrophobicContact CD1-CE2 3.8Å; L204-F206 HydrophobicContact CG-CE2 4.4Å
207	S	98.1	Very high	97.8	Very high	39 Å²	39	64.8 Å²	64.8	27%	0.273	33%	0.331	S	S	.	.			trans	-69.9	140.6	173.7	-177.5	0	0	0	0	110.5	N164 A167 E209	N164-S207 PolarHBondContact ND2-O 3Å; A167-S207 WeakPolarHBondContact CB-O 3.39Å; S207-E209 WeakPolarHBondContact OG-CG 3.46Å; S207-E209 PolarHBondContact OG-N 3.5Å
208	L	98.4	Very high	97.8	Very high	33 Å²	33	65.6 Å²	65.6	17%	0.173	33%	0.334	C	S	.	.			trans	-103.8	12.2	171.4	-63.4	-178.8	0	0	0	112.6	F166 Y170 R198 A201	F166-L208 HydrophobicContact CB-CD2 4.02Å; Y170-L208 HydrophobicContact CD1-CB 3.75Å; Y170-L208 HydrophobicContact CD1-CD1 4.2Å; Y170-L208 HydrophobicContact CD1-CD2 4.38Å; Y170-L208 HydrophobicContact CD1-CG 4.34Å; Y170-L208 HydrophobicContact CD2-CD1 4.18Å; Y170-L208 HydrophobicContact CE1-CB 3.94Å; Y170-L208 HydrophobicContact CE1-CD1 4.4Å; Y170-L208 HydrophobicContact CE2-CD1 4.41Å; Y170-L208 HydrophobicContact CG-CB 4.37Å; Y170-L208 HydrophobicContact CG-CD1 4.06Å; Y170-L208 HydrophobicContact CG-CD2 4.26Å; Y170-L208 HydrophobicContact CG-CG 4.48Å; R198-L208 HydrophobicContact CG-CD1 3.99Å; A201-L208 HydrophobicContact CB-CD1 4.07Å; A201-L208 HydrophobicContact CB-CD2 3.71Å; A201-L208 HydrophobicContact CB-CG 3.91Å
209	E	97.5	Very high	97.8	Very high	109 Å²	109	64.1 Å²	64.1	51%	0.509	33%	0.333	S	S	.	.			trans	-71.2	141.9	176.4	-64.1	-179.9	172.6	0	0	111.4	G162 S207 K211 T212	G162-E209 WeakPolarHBondContact CA-O 3.48Å; S207-E209 WeakPolarHBondContact OG-CG 3.46Å; S207-E209 PolarHBondContact OG-N 3.5Å; E209-K211 PolarHBondContact O-N 3.18Å; E209-T212 HydrophobicContact CB-CG2 4.23Å
210	Q	96.3	Very high	97.8	Very high	105 Å²	105	70.4 Å²	70.4	49%	0.491	35%	0.35	S	S	.	.	S	Bend	trans	-63	-30.8	172.2	-175.2	175	2.6	0	0	113.1	G162 L171 M215	G162-Q210 WeakPolarHBondContact CA-O 3.3Å; G162-Q210 PolarHBondContact N-O 3.48Å; G162-Q210 VanDerWaalsContact N-O 3.11Å; L171-Q210 HydrophobicContact CD1-CB 3.86Å; L171-Q210 HydrophobicContact CD1-CG 4.08Å; L171-Q210 HydrophobicContact CD2-CB 3.9Å; Q210-M215 WeakPolarHBondContact O-CE 3.43Å
211	K	97.7	Very high	97.8	Very high	55 Å²	55	75.2 Å²	75.2	24%	0.239	37%	0.371	C	S	.	.	S	Bend	trans	-141.5	91.7	-174.9	-167.6	77.9	-177.8	-169.9	0	111.3	E209 M215 K216 D219	E209-K211 PolarHBondContact O-N 3.18Å; K211-M215 HydrophobicContact CD-CB 3.98Å; K211-M215 HydrophobicContact CD-CE 3.93Å; K211-M215 HydrophobicContact CD-SD 4.42Å; K211-K216 HydrophobicContact CG-CG 3.92Å; K211-K216 VanDerWaalsContact O-CE 3.29Å; K211-K216 WeakPolarHBondContact O-CE 3.45Å; K211-K216 PolarHBondContact O-NZ 3.47Å; K211-D219 WeakPolarHBondContact CE-OD2 3.43Å; K211-D219 IonicContact NZ-OD1 2.98Å; K211-D219 PolarHBondContact NZ-OD1 3.04Å; K211-D219 IonicContact NZ-OD2 2.68Å; K211-D219 PolarHBondContact NZ-OD2 3.43Å
212	T	98.1	Very high	97.8	Very high	5 Å²	5	76.9 Å²	76.9	3%	0.031	38%	0.381	C	S	.	.			trans	-75.6	173.6	-177.1	70.7	0	0	0	0	112.7	D163 E209 S214 M215 K216	D163-T212 HydrophobicContact CB-CG2 4.16Å; D163-T212 WeakPolarHBondContact OD1-CG2 2.96Å; D163-T212 VanDerWaalsContact OD2-CB 3.25Å; D163-T212 WeakPolarHBondContact OD2-CB 3.35Å; D163-T212 WeakPolarHBondContact OD2-CG2 3.48Å; D163-T212 PolarHBondContact OD2-OG1 2.78Å; E209-T212 HydrophobicContact CB-CG2 4.23Å; T212-S214 PolarHBondContact OG1-OG 3.1Å; T212-M215 HydrophobicContact CG2-SD 4.24Å; T212-M215 PolarHBondContact N-SD 3.24Å; T212-M215 VanDerWaalsContact N-SD 3.44Å; T212-M215 PolarHBondContact O-N 3.33Å; T212-M215 WeakPolarHBondContact OG1-CG 3.33Å; T212-K216 WeakPolarHBondContact O-CG 3.48Å; T212-K216 PolarHBondContact O-N 2.88Å; T212-K216 VanDerWaalsContact O-N 3.14Å
213	K	98.1	Very high	97.9	Very high	169 Å²	169	71.4 Å²	71.4	74%	0.735	36%	0.358	S	S	*	.	H	α-helix	trans	-63.3	-40.3	177.3	-68.4	179.7	-177.2	172	0	112.4	K216 Q217	K213-K216 PolarHBondContact O-N 2.9Å; K213-Q217 WeakPolarHBondContact O-CG 3.44Å; K213-Q217 PolarHBondContact O-N 2.77Å
214	S	97.6	Very high	98	Very high	55 Å²	55	68.8 Å²	68.8	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-43.9	177.7	51.1	0	0	0	0	110.9	D163 T212 K216 Q217 R218	D163-S214 PolarHBondContact OD2-OG 3.06Å; T212-S214 PolarHBondContact OG1-OG 3.1Å; S214-K216 VanDerWaalsContact C-N 3.35Å; S214-K216 PolarHBondContact O-N 2.68Å; S214-Q217 WeakPolarHBondContact O-CB 3.47Å; S214-Q217 PolarHBondContact O-N 2.97Å; S214-Q217 VanDerWaalsContact O-N 3.1Å; S214-R218 PolarHBondContact O-N 2.83Å
215	M	98.5	Very high	98	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-60.7	-42.1	175.8	-62.6	167.8	77.7	0	0	112	F146 Q160 G162 D163 Q210 K211 T212 Q217 R218 D219	F146-M215 HydrophobicContact CB-CE 3.75Å; F146-M215 HydrophobicContact CB-CG 4.34Å; F146-M215 HydrophobicContact CB-SD 4.43Å; F146-M215 HydrophobicContact CG-CE 4.4Å; Q160-M215 HydrophobicContact CB-CE 3.69Å; Q160-M215 HydrophobicContact CG-CE 4.44Å; Q160-M215 VanDerWaalsContact OE1-CE 3.24Å; G162-M215 VanDerWaalsContact C-SD 3.59Å; D163-M215 HydrophobicContact CB-CG 3.98Å; D163-M215 HydrophobicContact CB-SD 3.97Å; Q210-M215 WeakPolarHBondContact O-CE 3.43Å; K211-M215 HydrophobicContact CD-CB 3.98Å; K211-M215 HydrophobicContact CD-CE 3.93Å; K211-M215 HydrophobicContact CD-SD 4.42Å; T212-M215 HydrophobicContact CG2-SD 4.24Å; T212-M215 PolarHBondContact N-SD 3.24Å; T212-M215 VanDerWaalsContact N-SD 3.44Å; T212-M215 PolarHBondContact O-N 3.33Å; T212-M215 WeakPolarHBondContact OG1-CG 3.33Å; M215-Q217 VanDerWaalsContact C-N 3.31Å; M215-Q217 PolarHBondContact O-N 3.2Å; M215-R218 WeakPolarHBondContact O-CB 3.48Å; M215-R218 PolarHBondContact O-N 3.45Å; M215-D219 PolarHBondContact O-N 3.21Å
216	K	98.4	Very high	98.1	Very high	105 Å²	105	72.3 Å²	72.3	46%	0.457	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-32.5	175.4	-68.2	169.7	-172.8	164.7	0	112.5	K211 T212 K213 S214 R220	K211-K216 HydrophobicContact CG-CG 3.92Å; K211-K216 VanDerWaalsContact O-CE 3.29Å; K211-K216 WeakPolarHBondContact O-CE 3.45Å; K211-K216 PolarHBondContact O-NZ 3.47Å; T212-K216 WeakPolarHBondContact O-CG 3.48Å; T212-K216 PolarHBondContact O-N 2.88Å; T212-K216 VanDerWaalsContact O-N 3.14Å; K213-K216 PolarHBondContact O-N 2.9Å; S214-K216 VanDerWaalsContact C-N 3.35Å; S214-K216 PolarHBondContact O-N 2.68Å; K216-R220 WeakPolarHBondContact O-CG 3.43Å; K216-R220 PolarHBondContact O-N 3.03Å
217	Q	98.3	Very high	98.1	Very high	119 Å²	119	71.4 Å²	71.4	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-69.8	-38.9	173.3	-71.9	171.7	7.6	0	0	111.3	K213 S214 M215 R220	K213-Q217 WeakPolarHBondContact O-CG 3.44Å; K213-Q217 PolarHBondContact O-N 2.77Å; S214-Q217 WeakPolarHBondContact O-CB 3.47Å; S214-Q217 PolarHBondContact O-N 2.97Å; S214-Q217 VanDerWaalsContact O-N 3.1Å; M215-Q217 VanDerWaalsContact C-N 3.31Å; M215-Q217 PolarHBondContact O-N 3.2Å; Q217-R220 PolarHBondContact O-N 3.02Å
218	R	98.3	Very high	98.2	Very high	18 Å²	18	69.6 Å²	69.6	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-43.6	173.4	-176	-91.9	-178.2	-166.5	0.5	111.3	D138 S214 M215 R220 K221 V222 A230 G231 V233	D138-R218 IonicContact OD1-CZ 2.74Å; D138-R218 IonicContact OD1-NE 3.88Å; D138-R218 PolarHBondContact OD1-NE 3.43Å; D138-R218 IonicContact OD1-NH2 3.96Å; D138-R218 PolarHBondContact OD1-NH2 2.88Å; D138-R218 WeakPolarHBondContact OD2-CG 3.45Å; D138-R218 IonicContact OD2-CZ 2.81Å; D138-R218 IonicContact OD2-NE 3.73Å; D138-R218 PolarHBondContact OD2-NE 3.33Å; D138-R218 IonicContact OD2-NH2 3.97Å; S214-R218 PolarHBondContact O-N 2.83Å; M215-R218 WeakPolarHBondContact O-CB 3.48Å; M215-R218 PolarHBondContact O-N 3.45Å; R218-R220 PolarHBondContact O-N 3.47Å; R218-R220 VanDerWaalsContact O-N 3.16Å; R218-K221 WeakPolarHBondContact O-CA 3.27Å; R218-K221 WeakPolarHBondContact O-CB 3.46Å; R218-K221 PolarHBondContact O-N 3.03Å; R218-V222 PolarHBondContact O-N 3.26Å; R218-A230 PolarHBondContact NH1-O 3.28Å; R218-A230 PolarHBondContact NH2-O 3.21Å; R218-G231 PolarHBondContact NH2-O 3.05Å; R218-V233 HydrophobicContact CG-CG2 4.32Å
219	D	98.1	Very high	98.2	Very high	63 Å²	63	69.5 Å²	69.5	34%	0.337	33%	0.328	S	S	.	.	H	α-helix	trans	-55.3	-33.6	176.3	-70.7	-10.3	0	0	0	113.4	K211 M215 K221 V222	K211-D219 WeakPolarHBondContact CE-OD2 3.43Å; K211-D219 IonicContact NZ-OD1 2.98Å; K211-D219 PolarHBondContact NZ-OD1 3.04Å; K211-D219 IonicContact NZ-OD2 2.68Å; K211-D219 PolarHBondContact NZ-OD2 3.43Å; M215-D219 PolarHBondContact O-N 3.21Å; D219-K221 PolarHBondContact O-N 3.49Å; D219-V222 WeakPolarHBondContact O-CB 3.32Å; D219-V222 PolarHBondContact O-N 2.95Å
220	R	98.1	Very high	98.2	Very high	216 Å²	216	64.4 Å²	64.4	82%	0.815	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.5	176.8	-65.4	171.7	-176.1	-178.6	-1.6	113.4	K216 Q217 R218	K216-R220 WeakPolarHBondContact O-CG 3.43Å; K216-R220 PolarHBondContact O-N 3.03Å; Q217-R220 PolarHBondContact O-N 3.02Å; R218-R220 PolarHBondContact O-N 3.47Å; R218-R220 VanDerWaalsContact O-N 3.16Å
221	K	98.1	Very high	98.3	Very high	144 Å²	144	59.5 Å²	59.5	63%	0.626	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-4.4	176.4	-56.8	-179	-179.4	-179.3	0	112.4	R218 D219 V223 V233	R218-K221 WeakPolarHBondContact O-CA 3.27Å; R218-K221 WeakPolarHBondContact O-CB 3.46Å; R218-K221 PolarHBondContact O-N 3.03Å; D219-K221 PolarHBondContact O-N 3.49Å; K221-V223 PolarHBondContact O-N 3.48Å; K221-V233 HydrophobicContact CB-CG1 3.93Å; K221-V233 HydrophobicContact CB-CG2 4.42Å
222	V	98.6	Very high	98.4	Very high	36 Å²	36	56.9 Å²	56.9	22%	0.218	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122	176.5	173.2	0	0	0	0	108.1	R218 D219 T224 I232 V233	R218-V222 PolarHBondContact O-N 3.26Å; D219-V222 WeakPolarHBondContact O-CB 3.32Å; D219-V222 PolarHBondContact O-N 2.95Å; V222-T224 WeakPolarHBondContact CG1-O 3.06Å; V222-I232 WeakPolarHBondContact CA-O 3.31Å; V222-V233 HydrophobicContact CG2-CG2 4.02Å
223	V	98.6	Very high	98.4	Very high	37 Å²	37	57.6 Å²	57.6	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-29.5	-178.7	-62.5	0	0	0	0	112.3	K221 I232 V234 V236 Y243	K221-V223 PolarHBondContact O-N 3.48Å; V223-I232 HydrophobicContact CG2-CD1 4.19Å; V223-I232 HydrophobicContact CG2-CG1 3.87Å; V223-I232 PolarHBondContact N-O 3.27Å; V223-V234 HydrophobicContact CG1-CG2 4.03Å; V223-V234 HydrophobicContact CG2-CG2 3.93Å; V223-V236 HydrophobicContact CG1-CG2 3.86Å; V223-Y243 HydrophobicContact CB-CD1 3.75Å; V223-Y243 HydrophobicContact CB-CD2 4.02Å; V223-Y243 HydrophobicContact CB-CE1 4.13Å; V223-Y243 HydrophobicContact CB-CE2 4.38Å; V223-Y243 HydrophobicContact CB-CG 3.68Å; V223-Y243 HydrophobicContact CG1-CD1 4.43Å; V223-Y243 HydrophobicContact CG1-CG 4.26Å; V223-Y243 HydrophobicContact CG2-CD1 4.24Å; V223-Y243 HydrophobicContact CG2-CD2 3.55Å; V223-Y243 HydrophobicContact CG2-CE2 3.95Å; V223-Y243 HydrophobicContact CG2-CG 3.72Å
224	T	98.6	Very high	98.4	Very high	21 Å²	21	50 Å²	50	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156.3	173.3	179	0	0	0	0	110.1	V222 T226 G231 I232 Y243 E297	V222-T224 WeakPolarHBondContact CG1-O 3.06Å; T224-T226 HydrophobicContact CG2-CG2 4.04Å; T224-G231 CarbonylContact O-C 3.6Å; T224-G231 WeakPolarHBondContact O-CA 3.25Å; T224-I232 HydrophobicContact CG2-CD1 3.56Å; T224-I232 HydrophobicContact CG2-CG1 3.43Å; T224-I232 VanDerWaalsContact CG2-CG1 3.43Å; T224-I232 PolarHBondContact O-N 2.82Å; T224-Y243 WeakPolarHBondContact CB-OH 3.41Å; T224-Y243 HydrophobicContact CG2-CE2 3.87Å; T224-E297 VanDerWaalsContact CB-OE1 3.27Å; T224-E297 WeakPolarHBondContact CB-OE1 3.29Å; T224-E297 HydrophobicContact CG2-CB 4.02Å; T224-E297 VanDerWaalsContact CG2-CD 3.43Å; T224-E297 HydrophobicContact CG2-CG 3.78Å; T224-E297 VanDerWaalsContact CG2-OE1 3.28Å; T224-E297 WeakPolarHBondContact CG2-OE1 3.49Å; T224-E297 PolarHBondContact OG1-OE1 3.37Å
225	K	98.3	Very high	98.4	Very high	148 Å²	148	51.8 Å²	51.8	64%	0.643	25%	0.253	S	S	*	.			trans	-82.7	-25.7	-177.5	-75.7	-172.6	179.9	177.6	0	114	G229 G231	K225-G229 CarbonylContact O-C 3.32Å; K225-G229 VanDerWaalsContact O-CA 3.29Å; K225-G229 WeakPolarHBondContact O-CA 3.2Å; K225-G229 PolarHBondContact O-N 3.44Å; K225-G231 VanDerWaalsContact O-CA 3.31Å; K225-G231 WeakPolarHBondContact O-CA 3.17Å; K225-G231 PolarHBondContact O-N 2.61Å
226	T	98.7	Very high	98.4	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.025	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	178.9	-167.9	80.1	0	0	0	0	112.8	T224 H228 G229 I232 E297 I300 D301	T224-T226 HydrophobicContact CG2-CG2 4.04Å; T226-H228 VanDerWaalsContact C-N 3.29Å; T226-H228 PolarHBondContact O-N 3.19Å; T226-H228 PolarHBondContact OG1-CD2 3.39Å; T226-H228 PolarHBondContact OG1-CE1 3.34Å; T226-H228 PolarHBondContact OG1-ND1 3.48Å; T226-H228 PolarHBondContact OG1-NE2 2.9Å; T226-H228 VanDerWaalsContact OG1-NE2 3.15Å; T226-G229 PolarHBondContact O-N 3.01Å; T226-G229 VanDerWaalsContact O-N 3.15Å; T226-I232 HydrophobicContact CG2-CD1 4.36Å; T226-I232 HydrophobicContact CG2-CG1 4.14Å; T226-I232 HydrophobicContact CG2-CG2 3.76Å; T226-E297 HydrophobicContact CG2-CG 4.33Å; T226-I300 HydrophobicContact CG2-CB 4.4Å; T226-I300 HydrophobicContact CG2-CG2 3.9Å; T226-I300 WeakPolarHBondContact OG1-CG2 3.46Å; T226-D301 VanDerWaalsContact CA-OD1 3.25Å; T226-D301 WeakPolarHBondContact CA-OD1 3.15Å; T226-D301 WeakPolarHBondContact CB-OD1 3.28Å
227	F	98.8	Very high	98.3	Very high	18 Å²	18	53.2 Å²	53.2	8%	0.079	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30	-177.9	-73.8	5.6	0	0	0	113.9	G229 D250 L253 K254 D301 C304	F227-G229 VanDerWaalsContact C-N 3.3Å; F227-D250 HydrophobicContact CD1-CB 4.37Å; F227-D250 HydrophobicContact CE1-CB 3.88Å; F227-L253 HydrophobicContact CE1-CD2 4.19Å; F227-L253 HydrophobicContact CZ-CB 4Å; F227-L253 HydrophobicContact CZ-CD2 3.72Å; F227-L253 HydrophobicContact CZ-CG 3.78Å; F227-K254 HydrophobicContact CD2-CG 4.36Å; F227-K254 HydrophobicContact CE1-CD 4.44Å; F227-K254 HydrophobicContact CE1-CG 4.07Å; F227-K254 HydrophobicContact CE2-CG 3.66Å; F227-K254 HydrophobicContact CZ-CD 4.31Å; F227-K254 HydrophobicContact CZ-CG 3.49Å; F227-K254 VanDerWaalsContact CZ-CG 3.49Å; F227-D301 HydrophobicContact CD1-CB 4.03Å; F227-D301 VanDerWaalsContact CD1-CG 3.44Å; F227-D301 VanDerWaalsContact CD1-OD1 3.25Å; F227-D301 WeakPolarHBondContact CD1-OD1 3.37Å; F227-D301 HydrophobicContact CD2-CB 3.91Å; F227-D301 WeakPolarHBondContact CD2-O 3.32Å; F227-D301 HydrophobicContact CE1-CB 3.98Å; F227-D301 HydrophobicContact CE2-CB 3.86Å; F227-D301 HydrophobicContact CG-CB 3.99Å; F227-D301 WeakPolarHBondContact CG-OD1 3.47Å; F227-D301 HydrophobicContact CZ-CB 3.9Å; F227-D301 PolarHBondContact N-OD1 2.88Å; F227-C304 HydrophobicContact CB-CB 3.65Å; F227-C304 HydrophobicContact CD2-CB 4.34Å; F227-C304 HydrophobicContact CG-CB 4.49Å
228	H	98.6	Very high	98.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.9	178.2	56.9	49.7	0	0	0	113.2	C156 N157 I158 T226 A230 I300 C304	C156-H228 WeakPolarHBondContact O-CA 3.09Å; C156-H228 WeakPolarHBondContact O-CB 3.42Å; N157-H228 WeakPolarHBondContact CA-O 3.18Å; I158-H228 HydrophobicContact CD1-CB 4.09Å; I158-H228 HydrophobicContact CG1-CB 4.25Å; I158-H228 PolarHBondContact N-O 2.73Å; T226-H228 VanDerWaalsContact C-N 3.29Å; T226-H228 PolarHBondContact O-N 3.19Å; T226-H228 PolarHBondContact OG1-CD2 3.39Å; T226-H228 PolarHBondContact OG1-CE1 3.34Å; T226-H228 PolarHBondContact OG1-ND1 3.48Å; T226-H228 PolarHBondContact OG1-NE2 2.9Å; T226-H228 VanDerWaalsContact OG1-NE2 3.15Å; H228-A230 PolarHBondContact ND1-N 3.14Å; H228-A230 PolarHBondContact O-N 3.32Å; H228-A230 VanDerWaalsContact O-N 3.12Å; H228-I300 VanDerWaalsContact CD2-CG2 3.44Å; H228-I300 WeakPolarHBondContact CD2-CG2 3.4Å; H228-I300 VanDerWaalsContact NE2-CG2 3.28Å; H228-I300 WeakPolarHBondContact NE2-CG2 3.12Å; H228-C304 VanDerWaalsContact CD2-SG 3.53Å
229	G	98.6	Very high	98.1	Very high	31 Å²	31	60.9 Å²	60.9	32%	0.32	31%	0.305	S	S	.	.	S	Bend	trans	77.8	-13.7	174.2	0	0	0	0	0	116	K225 T226 F227 G231	K225-G229 CarbonylContact O-C 3.32Å; K225-G229 VanDerWaalsContact O-CA 3.29Å; K225-G229 WeakPolarHBondContact O-CA 3.2Å; K225-G229 PolarHBondContact O-N 3.44Å; T226-G229 PolarHBondContact O-N 3.01Å; T226-G229 VanDerWaalsContact O-N 3.15Å; F227-G229 VanDerWaalsContact C-N 3.3Å; G229-G231 PolarHBondContact O-N 3.26Å
230	A	98.2	Very high	97.9	Very high	3 Å²	3	64 Å²	64	3%	0.025	32%	0.322	C	S	.	.	S	Bend	trans	-62.6	-26.1	171.7	0	0	0	0	0	113.1	Y136 F146 I158 R218 H228	Y136-A230 HydrophobicContact CD2-CB 4.22Å; Y136-A230 HydrophobicContact CE2-CB 3.64Å; F146-A230 HydrophobicContact CZ-CB 4.03Å; I158-A230 HydrophobicContact CB-CB 4.05Å; I158-A230 HydrophobicContact CD1-CB 4.36Å; I158-A230 HydrophobicContact CG2-CB 4.2Å; R218-A230 PolarHBondContact NH1-O 3.28Å; R218-A230 PolarHBondContact NH2-O 3.21Å; H228-A230 PolarHBondContact ND1-N 3.14Å; H228-A230 PolarHBondContact O-N 3.32Å; H228-A230 VanDerWaalsContact O-N 3.12Å
231	G	98.4	Very high	97.9	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.01	30%	0.299	C	S	.	.			trans	73.6	154.4	-178.1	0	0	0	0	0	115.2	Y136 R218 T224 K225 G229	Y136-G231 PolarHBondContact OH-O 2.75Å; R218-G231 PolarHBondContact NH2-O 3.05Å; T224-G231 CarbonylContact O-C 3.6Å; T224-G231 WeakPolarHBondContact O-CA 3.25Å; K225-G231 VanDerWaalsContact O-CA 3.31Å; K225-G231 WeakPolarHBondContact O-CA 3.17Å; K225-G231 PolarHBondContact O-N 2.61Å; G229-G231 PolarHBondContact O-N 3.26Å
232	I	98.6	Very high	97.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.9	179.6	59.6	168	0	0	0	110.9	V222 V223 T224 T226 Y296 E297	V222-I232 WeakPolarHBondContact CA-O 3.31Å; V223-I232 HydrophobicContact CG2-CD1 4.19Å; V223-I232 HydrophobicContact CG2-CG1 3.87Å; V223-I232 PolarHBondContact N-O 3.27Å; T224-I232 HydrophobicContact CG2-CD1 3.56Å; T224-I232 HydrophobicContact CG2-CG1 3.43Å; T224-I232 VanDerWaalsContact CG2-CG1 3.43Å; T224-I232 PolarHBondContact O-N 2.82Å; T226-I232 HydrophobicContact CG2-CD1 4.36Å; T226-I232 HydrophobicContact CG2-CG1 4.14Å; T226-I232 HydrophobicContact CG2-CG2 3.76Å; I232-Y296 HydrophobicContact CB-CD1 4.09Å; I232-Y296 HydrophobicContact CB-CE1 3.59Å; I232-Y296 HydrophobicContact CD1-CD1 3.71Å; I232-Y296 HydrophobicContact CD1-CE1 4.13Å; I232-Y296 HydrophobicContact CD1-CG 4.13Å; I232-Y296 HydrophobicContact CG1-CD1 4.48Å; I232-Y296 HydrophobicContact CG1-CE1 4.44Å; I232-Y296 HydrophobicContact CG2-CD1 4.23Å; I232-Y296 HydrophobicContact CG2-CE1 3.6Å; I232-Y296 HydrophobicContact CG2-CE2 4.21Å; I232-E297 HydrophobicContact CD1-CB 4.01Å
233	V	98.7	Very high	97.9	Very high	21 Å²	21	49.6 Å²	49.6	13%	0.127	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.7	174.7	179	0	0	0	0	107.8	D138 R218 K221 V222 R327	D138-V233 HydrophobicContact CB-CB 4.25Å; R218-V233 HydrophobicContact CG-CG2 4.32Å; K221-V233 HydrophobicContact CB-CG1 3.93Å; K221-V233 HydrophobicContact CB-CG2 4.42Å; V222-V233 HydrophobicContact CG2-CG2 4.02Å; V233-R327 PolarHBondContact O-NH1 2.86Å; V233-R327 VanDerWaalsContact O-NH1 3.14Å; V233-R327 PolarHBondContact O-NH2 3.47Å
234	V	98.4	Very high	97.9	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.055	27%	0.272	C	S	.	.			trans	-129.9	155.9	172.8	-60.1	0	0	0	0	109.4	V223 V236 Y296 L325	V223-V234 HydrophobicContact CG1-CG2 4.03Å; V223-V234 HydrophobicContact CG2-CG2 3.93Å; V234-V236 HydrophobicContact CG2-CG2 4.17Å; V234-V236 PolarHBondContact O-N 3.15Å; V234-Y296 HydrophobicContact CG1-CD1 3.8Å; V234-Y296 HydrophobicContact CG1-CE1 4.31Å; V234-L325 HydrophobicContact CB-CD2 4.01Å; V234-L325 HydrophobicContact CG1-CD1 3.9Å; V234-L325 HydrophobicContact CG1-CD2 3.95Å
235	P	97.8	Very high	97.9	Very high	93 Å²	93	58.1 Å²	58.1	60%	0.604	30%	0.3	S	S	*	.			trans	-61.1	127.2	170.7	-18.7	32.5	0	0	0	109.6	G242	P235-G242 WeakPolarHBondContact O-CA 3.41Å
236	V	97.7	Very high	97.9	Very high	65 Å²	65	51.8 Å²	51.8	39%	0.394	27%	0.273	S	S	.	.			trans	-123.4	126.3	170.9	-179.6	0	0	0	0	107.2	V223 V234 V241	V223-V236 HydrophobicContact CG1-CG2 3.86Å; V234-V236 HydrophobicContact CG2-CG2 4.17Å; V234-V236 PolarHBondContact O-N 3.15Å; V236-V241 CarbonylContact C-O 3.53Å; V236-V241 WeakPolarHBondContact CA-O 3.49Å
237	D	96.2	Very high	97.8	Very high	71 Å²	71	55.1 Å²	55.1	38%	0.38	29%	0.294	S	S	.	.			trans	-81.1	-177.9	-178.9	90.1	-12.2	0	0	0	112.1	N239 D240 V241	D237-N239 PolarHBondContact O-N 2.71Å; D237-N239 VanDerWaalsContact OD1-CA 3.31Å; D237-N239 WeakPolarHBondContact OD1-CA 3.3Å; D237-N239 WeakPolarHBondContact OD1-CB 3.37Å; D237-N239 PolarHBondContact OD1-N 3.42Å; D237-N239 PolarHBondContact OD2-ND2 2.95Å; D237-D240 PolarHBondContact O-N 3.4Å; D237-D240 PolarHBondContact OD1-N 3.44Å; D237-V241 PolarHBondContact N-O 3.12Å; D237-V241 WeakPolarHBondContact OD1-CB 3.4Å; D237-V241 PolarHBondContact OD1-N 3.22Å
238	K	96.6	Very high	97.8	Very high	193 Å²	193	58.2 Å²	58.2	84%	0.839	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.1	-179.1	66.2	-179.9	-178.6	177.9	0	114.5
239	N	95.9	Very high	97.8	Very high	105 Å²	105	62.8 Å²	62.8	56%	0.561	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	15.6	179.5	-43.1	-67.8	0	0	0	111	D237 V241	D237-N239 PolarHBondContact O-N 2.71Å; D237-N239 VanDerWaalsContact OD1-CA 3.31Å; D237-N239 WeakPolarHBondContact OD1-CA 3.3Å; D237-N239 WeakPolarHBondContact OD1-CB 3.37Å; D237-N239 PolarHBondContact OD1-N 3.42Å; D237-N239 PolarHBondContact OD2-ND2 2.95Å; N239-V241 HydrophobicContact CB-CG2 4.34Å; N239-V241 PolarHBondContact O-N 3.11Å
240	D	95.3	Very high	97.8	Very high	128 Å²	128	64.5 Å²	64.5	68%	0.684	34%	0.339	S	S	*	.	S	Bend	trans	63.5	23.2	-176.8	-58	-46.4	0	0	0	114.4	D237	D237-D240 PolarHBondContact O-N 3.4Å; D237-D240 PolarHBondContact OD1-N 3.44Å
241	V	97.9	Very high	97.8	Very high	54 Å²	54	67.1 Å²	67.1	33%	0.327	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	125.9	174.7	-178.7	0	0	0	0	110.4	V236 D237 N239 C290	V236-V241 CarbonylContact C-O 3.53Å; V236-V241 WeakPolarHBondContact CA-O 3.49Å; D237-V241 PolarHBondContact N-O 3.12Å; D237-V241 WeakPolarHBondContact OD1-CB 3.4Å; D237-V241 PolarHBondContact OD1-N 3.22Å; N239-V241 HydrophobicContact CB-CG2 4.34Å; N239-V241 PolarHBondContact O-N 3.11Å; V241-C290 HydrophobicContact CG1-CB 3.84Å
242	G	97.9	Very high	97.8	Very high	5 Å²	5	67.7 Å²	67.7	5%	0.052	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	146.7	-23.4	177.5	0	0	0	0	0	113.6	P235 C290 D291 Y292 G293	P235-G242 WeakPolarHBondContact O-CA 3.41Å; G242-C290 WeakPolarHBondContact CA-O 3.21Å; G242-D291 WeakPolarHBondContact CA-OD1 3.26Å; G242-D291 PolarHBondContact N-OD1 3.15Å; G242-D291 CarbonylContact O-C 3.55Å; G242-Y292 PolarHBondContact O-N 3.44Å; G242-G293 PolarHBondContact O-N 3.05Å
243	Y	98.6	Very high	97.8	Very high	35 Å²	35	67.7 Å²	67.7	14%	0.137	37%	0.367	C	S	.	.			trans	-152.9	138.9	-179.3	171.7	-97.2	0	0	0	111.5	V223 T224 E245 D291 E297	V223-Y243 HydrophobicContact CB-CD1 3.75Å; V223-Y243 HydrophobicContact CB-CD2 4.02Å; V223-Y243 HydrophobicContact CB-CE1 4.13Å; V223-Y243 HydrophobicContact CB-CE2 4.38Å; V223-Y243 HydrophobicContact CB-CG 3.68Å; V223-Y243 HydrophobicContact CG1-CD1 4.43Å; V223-Y243 HydrophobicContact CG1-CG 4.26Å; V223-Y243 HydrophobicContact CG2-CD1 4.24Å; V223-Y243 HydrophobicContact CG2-CD2 3.55Å; V223-Y243 HydrophobicContact CG2-CE2 3.95Å; V223-Y243 HydrophobicContact CG2-CG 3.72Å; T224-Y243 WeakPolarHBondContact CB-OH 3.41Å; T224-Y243 HydrophobicContact CG2-CE2 3.87Å; Y243-E245 HydrophobicContact CE1-CG 3.95Å; Y243-D291 PolarHBondContact N-OD1 3.44Å; Y243-D291 VanDerWaalsContact N-OD1 3.1Å; Y243-E297 WeakPolarHBondContact CE2-OE2 3.45Å; Y243-E297 PolarHBondContact OH-OE2 3.21Å; Y243-E297 VanDerWaalsContact OH-OE2 3.05Å
244	R	98	Very high	97.8	Very high	83 Å²	83	71 Å²	71	31%	0.313	38%	0.379	S	S	.	.			trans	-135.9	150.7	164.1	65.8	179.9	62.4	175.1	-4.6	109.7	A286 E289 D291 M294	R244-A286 HydrophobicContact CG-CB 4.2Å; R244-E289 IonicContact CZ-OE2 3.07Å; R244-E289 IonicContact NH1-OE2 2.71Å; R244-E289 PolarHBondContact NH1-OE2 2.94Å; R244-E289 IonicContact NH2-OE2 2.64Å; R244-E289 PolarHBondContact NH2-OE2 2.96Å; R244-D291 HydrophobicContact CG-CB 4.07Å; R244-D291 IonicContact CZ-OD2 2.96Å; R244-D291 IonicContact NE-OD2 3.18Å; R244-D291 PolarHBondContact NE-OD2 3.16Å; R244-D291 IonicContact NH2-OD2 3.62Å; R244-D291 PolarHBondContact NH2-OD2 3.03Å; R244-M294 HydrophobicContact CG-CB 3.94Å; R244-M294 HydrophobicContact CG-CG 4.1Å; R244-M294 HydrophobicContact CG-SD 3.76Å; R244-M294 WeakPolarHBondContact O-CB 3.06Å
245	E	98.1	Very high	97.8	Very high	153 Å²	153	78.1 Å²	78.1	72%	0.715	41%	0.409	S	S	*	.			trans	-69.1	153.5	-178.1	-61.1	-179.1	161.7	0	0	112.1	Y243	Y243-E245 HydrophobicContact CE1-CG 3.95Å
246	L	98.5	Very high	97.9	Very high	16 Å²	16	74.7 Å²	74.7	8%	0.084	39%	0.386	C	S	.	.			trans	-63.4	150.1	166.8	-60	179.9	0	0	0	111	E248 L253 M294 E297 L298	L246-E248 PolarHBondContact O-N 2.88Å; L246-E248 VanDerWaalsContact O-N 3.1Å; L246-L253 HydrophobicContact CD1-CD2 3.99Å; L246-M294 HydrophobicContact CD2-CE 4Å; L246-M294 HydrophobicContact CD2-CG 3.77Å; L246-E297 HydrophobicContact CD1-CG 3.94Å; L246-E297 HydrophobicContact CG-CG 4.24Å; L246-L298 HydrophobicContact CD1-CB 4.28Å; L246-L298 HydrophobicContact CD1-CD1 4.18Å; L246-L298 HydrophobicContact CD2-CB 3.84Å
247	P	97.8	Very high	97.9	Very high	73 Å²	73	71.6 Å²	71.6	47%	0.474	37%	0.367	S	S	.	.	S	Bend	trans	-69.1	-5.3	174.9	33	-39.7	0	0	0	113.1	M279 F282	P247-M279 HydrophobicContact CG-CG 3.55Å; P247-M279 HydrophobicContact CG-SD 4.23Å; P247-F282 HydrophobicContact CB-CD2 4.5Å; P247-F282 HydrophobicContact CB-CE2 4.44Å; P247-F282 HydrophobicContact CG-CD2 3.97Å; P247-F282 HydrophobicContact CG-CE2 4.22Å
248	E	97.9	Very high	98	Very high	83 Å²	83	73.2 Å²	73.2	39%	0.388	37%	0.371	S	S	.	.	S	Bend	trans	-121.5	144.9	-177.3	-77.1	-66.8	167.2	0	0	110.8	L246 I256 M279	L246-E248 PolarHBondContact O-N 2.88Å; L246-E248 VanDerWaalsContact O-N 3.1Å; E248-I256 HydrophobicContact CG-CD1 3.94Å; E248-M279 HydrophobicContact CB-SD 4.31Å; E248-M279 HydrophobicContact CG-CE 4.24Å; E248-M279 HydrophobicContact CG-SD 4.25Å
249	T	98.4	Very high	98.1	Very high	97 Å²	97	66.7 Å²	66.7	60%	0.595	35%	0.353	S	S	*	.			trans	-73.7	157.8	170.4	64.7	0	0	0	0	110.8	A251 G252 L253	T249-A251 PolarHBondContact O-N 3.29Å; T249-A251 VanDerWaalsContact O-N 3.08Å; T249-G252 CarbonylContact O-C 3.57Å; T249-G252 WeakPolarHBondContact O-CA 3.43Å; T249-G252 PolarHBondContact O-N 3.23Å; T249-G252 PolarHBondContact OG1-N 2.81Å; T249-G252 VanDerWaalsContact OG1-N 3.13Å; T249-L253 PolarHBondContact O-N 3.33Å
250	D	98.2	Very high	98.2	Very high	66 Å²	66	61.7 Å²	61.7	35%	0.353	33%	0.326	S	S	.	.	H	α-helix	trans	-50.3	-40.3	173.9	-65.6	20.6	0	0	0	113.1	F227 K254	F227-D250 HydrophobicContact CD1-CB 4.37Å; F227-D250 HydrophobicContact CE1-CB 3.88Å; D250-K254 WeakPolarHBondContact O-CB 3.49Å; D250-K254 VanDerWaalsContact O-CG 3.23Å; D250-K254 WeakPolarHBondContact O-CG 3.14Å; D250-K254 PolarHBondContact O-N 3.41Å
251	A	98.4	Very high	98.4	Very high	59 Å²	59	56.9 Å²	56.9	49%	0.488	30%	0.304	S	S	.	.	H	α-helix	trans	-69.9	-37	179.3	0	0	0	0	0	112	T249 K255	T249-A251 PolarHBondContact O-N 3.29Å; T249-A251 VanDerWaalsContact O-N 3.08Å; A251-K255 WeakPolarHBondContact O-CG 3.45Å; A251-K255 PolarHBondContact O-N 2.77Å
252	G	98.6	Very high	98.4	Very high	12 Å²	12	60.5 Å²	60.5	12%	0.124	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-50.9	172.5	0	0	0	0	0	111.4	T249 K254 K255 I256	T249-G252 CarbonylContact O-C 3.57Å; T249-G252 WeakPolarHBondContact O-CA 3.43Å; T249-G252 PolarHBondContact O-N 3.23Å; T249-G252 PolarHBondContact OG1-N 2.81Å; T249-G252 VanDerWaalsContact OG1-N 3.13Å; G252-K254 VanDerWaalsContact C-N 3.33Å; G252-K254 PolarHBondContact O-N 2.9Å; G252-K255 WeakPolarHBondContact O-CA 3.34Å; G252-K255 WeakPolarHBondContact O-CB 3.42Å; G252-K255 PolarHBondContact O-N 3.11Å; G252-I256 PolarHBondContact O-N 2.89Å
253	L	98.8	Very high	98.4	Very high	1 Å²	1	61 Å²	61	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-40.6	178.2	-176.6	60.2	0	0	0	112	F227 L246 T249 K255 I256 C257 I276 M279 L298 D301	F227-L253 HydrophobicContact CE1-CD2 4.19Å; F227-L253 HydrophobicContact CZ-CB 4Å; F227-L253 HydrophobicContact CZ-CD2 3.72Å; F227-L253 HydrophobicContact CZ-CG 3.78Å; L246-L253 HydrophobicContact CD1-CD2 3.99Å; T249-L253 PolarHBondContact O-N 3.33Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.14Å; L253-I256 PolarHBondContact O-N 3.4Å; L253-C257 WeakPolarHBondContact O-CB 3.27Å; L253-C257 PolarHBondContact O-N 2.81Å; L253-C257 PolarHBondContact O-SG 3.36Å; L253-I276 HydrophobicContact CD1-CD1 3.88Å; L253-M279 HydrophobicContact CD1-CE 3.85Å; L253-M279 HydrophobicContact CD1-SD 4.25Å; L253-L298 HydrophobicContact CD1-CD1 4.17Å; L253-L298 HydrophobicContact CD2-CD1 4.11Å; L253-D301 HydrophobicContact CD2-CB 3.72Å
254	K	98.6	Very high	98.3	Very high	91 Å²	91	69.7 Å²	69.7	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-37.9	173.1	-77.2	170.9	-175.3	167.2	0	112.8	F227 D250 G252 K258	F227-K254 HydrophobicContact CD2-CG 4.36Å; F227-K254 HydrophobicContact CE1-CD 4.44Å; F227-K254 HydrophobicContact CE1-CG 4.07Å; F227-K254 HydrophobicContact CE2-CG 3.66Å; F227-K254 HydrophobicContact CZ-CD 4.31Å; F227-K254 HydrophobicContact CZ-CG 3.49Å; F227-K254 VanDerWaalsContact CZ-CG 3.49Å; D250-K254 WeakPolarHBondContact O-CB 3.49Å; D250-K254 VanDerWaalsContact O-CG 3.23Å; D250-K254 WeakPolarHBondContact O-CG 3.14Å; D250-K254 PolarHBondContact O-N 3.41Å; G252-K254 VanDerWaalsContact C-N 3.33Å; G252-K254 PolarHBondContact O-N 2.9Å; K254-K258 VanDerWaalsContact O-CB 3.31Å; K254-K258 WeakPolarHBondContact O-CB 3.49Å; K254-K258 PolarHBondContact O-N 3.07Å
255	K	98.7	Very high	98.2	Very high	157 Å²	157	68.9 Å²	68.9	68%	0.683	36%	0.355	S	S	*	.	H	α-helix	trans	-67.1	-42.2	175.5	-71.8	170.3	-176.6	176.6	0	111.6	A251 G252 L253 K258 A259	A251-K255 WeakPolarHBondContact O-CG 3.45Å; A251-K255 PolarHBondContact O-N 2.77Å; G252-K255 WeakPolarHBondContact O-CA 3.34Å; G252-K255 WeakPolarHBondContact O-CB 3.42Å; G252-K255 PolarHBondContact O-N 3.11Å; L253-K255 VanDerWaalsContact C-N 3.32Å; L253-K255 PolarHBondContact O-N 3.14Å; K255-K258 PolarHBondContact O-N 3.41Å; K255-A259 PolarHBondContact O-N 2.95Å
256	I	98.8	Very high	98.2	Very high	22 Å²	22	67 Å²	67	11%	0.113	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-50.4	174.6	-66.7	164.4	0	0	0	109.8	E248 G252 L253 K258 A259 I260 P275 I276 M279	E248-I256 HydrophobicContact CG-CD1 3.94Å; G252-I256 PolarHBondContact O-N 2.89Å; L253-I256 PolarHBondContact O-N 3.4Å; I256-K258 VanDerWaalsContact C-N 3.27Å; I256-K258 PolarHBondContact O-N 2.83Å; I256-A259 PolarHBondContact O-N 3.49Å; I256-I260 HydrophobicContact CG2-CD1 4.01Å; I256-I260 WeakPolarHBondContact O-CG1 3.23Å; I256-I260 PolarHBondContact O-N 3.25Å; I256-I260 VanDerWaalsContact O-N 3.11Å; I256-P275 HydrophobicContact CD1-CB 3.89Å; I256-P275 HydrophobicContact CG1-CB 4.41Å; I256-P275 HydrophobicContact CG2-CB 4.24Å; I256-I276 HydrophobicContact CG2-CD1 3.94Å; I256-I276 HydrophobicContact CG2-CG1 3.96Å; I256-M279 HydrophobicContact CD1-CE 4.06Å
257	C	98.8	Very high	98.1	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-58.9	-40.3	178.7	-65.8	0	0	0	0	112.1	L253 I260 A261 L302 Y305 F310	L253-C257 WeakPolarHBondContact O-CB 3.27Å; L253-C257 PolarHBondContact O-N 2.81Å; L253-C257 PolarHBondContact O-SG 3.36Å; C257-I260 PolarHBondContact O-N 2.73Å; C257-A261 WeakPolarHBondContact O-CB 3.26Å; C257-A261 PolarHBondContact O-N 2.94Å; C257-L302 VanDerWaalsContact SG-CD2 3.57Å; C257-Y305 HydrophobicContact CB-CD1 3.89Å; C257-Y305 HydrophobicContact CB-CD2 3.32Å; C257-Y305 HydrophobicContact CB-CE1 3.92Å; C257-Y305 HydrophobicContact CB-CE2 3.35Å; C257-Y305 HydrophobicContact CB-CG 3.6Å; C257-F310 HydrophobicContact CB-CE2 4.05Å; C257-F310 HydrophobicContact CB-CZ 3.89Å
258	K	98.6	Very high	98.1	Very high	105 Å²	105	72.7 Å²	72.7	46%	0.457	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-47.5	175.2	-175.3	175.4	-179.5	167.4	0	112.6	K254 K255 I256 I260 A261 E262 Y305	K254-K258 VanDerWaalsContact O-CB 3.31Å; K254-K258 WeakPolarHBondContact O-CB 3.49Å; K254-K258 PolarHBondContact O-N 3.07Å; K255-K258 PolarHBondContact O-N 3.41Å; I256-K258 VanDerWaalsContact C-N 3.27Å; I256-K258 PolarHBondContact O-N 2.83Å; K258-I260 PolarHBondContact O-N 3.34Å; K258-A261 PolarHBondContact O-N 3.43Å; K258-E262 WeakPolarHBondContact CE-OE1 3.32Å; K258-E262 WeakPolarHBondContact CE-OE2 3.36Å; K258-E262 HydrophobicContact CG-CG 4.27Å; K258-E262 IonicContact NZ-OE1 3.13Å; K258-E262 IonicContact NZ-OE2 2.75Å; K258-E262 WeakPolarHBondContact O-CB 3.36Å; K258-E262 PolarHBondContact O-N 3.05Å; K258-Y305 WeakPolarHBondContact CA-OH 3.41Å; K258-Y305 PolarHBondContact N-OH 2.99Å
259	A	98.5	Very high	98.1	Very high	55 Å²	55	69.6 Å²	69.6	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-58.4	-38.3	177.7	0	0	0	0	0	112.2	K255 I256 A263 A272	K255-A259 PolarHBondContact O-N 2.95Å; I256-A259 PolarHBondContact O-N 3.49Å; A259-A263 WeakPolarHBondContact O-CB 3.5Å; A259-A263 PolarHBondContact O-N 2.83Å; A259-A263 VanDerWaalsContact O-N 3.17Å; A259-A272 HydrophobicContact CB-CB 4.46Å
260	I	98.6	Very high	98	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-69.6	-48.6	176.9	-67.6	166.3	0	0	0	111.6	I256 C257 K258 E262 R269 A272 F273 I276 F310	I256-I260 HydrophobicContact CG2-CD1 4.01Å; I256-I260 WeakPolarHBondContact O-CG1 3.23Å; I256-I260 PolarHBondContact O-N 3.25Å; I256-I260 VanDerWaalsContact O-N 3.11Å; C257-I260 PolarHBondContact O-N 2.73Å; K258-I260 PolarHBondContact O-N 3.34Å; I260-E262 VanDerWaalsContact C-N 3.34Å; I260-E262 PolarHBondContact O-N 3.43Å; I260-R269 HydrophobicContact CG2-CG 3.95Å; I260-R269 PolarHBondContact O-NE 3.4Å; I260-A272 HydrophobicContact CG1-CB 3.73Å; I260-A272 WeakPolarHBondContact CG1-O 3.49Å; I260-F273 HydrophobicContact CD1-CD1 3.91Å; I260-F273 HydrophobicContact CD1-CD2 4.36Å; I260-F273 HydrophobicContact CD1-CE1 4.11Å; I260-F273 HydrophobicContact CD1-CG 4.03Å; I260-F273 HydrophobicContact CD1-CZ 4.43Å; I260-F273 HydrophobicContact CG1-CD2 4.31Å; I260-F273 HydrophobicContact CG1-CG 4.39Å; I260-F273 HydrophobicContact CG2-CD2 3.81Å; I260-F273 HydrophobicContact CG2-CE1 4.28Å; I260-F273 HydrophobicContact CG2-CE2 3.27Å; I260-F273 HydrophobicContact CG2-CZ 3.54Å; I260-I276 HydrophobicContact CD1-CG1 3.68Å; I260-F310 HydrophobicContact CB-CE1 4.14Å; I260-F310 HydrophobicContact CB-CZ 3.92Å; I260-F310 HydrophobicContact CD1-CE1 3.73Å; I260-F310 HydrophobicContact CD1-CZ 4.16Å; I260-F310 HydrophobicContact CG2-CE1 3.71Å; I260-F310 HydrophobicContact CG2-CZ 3.75Å
261	A	97.8	Very high	97.9	Very high	28 Å²	28	73.1 Å²	73.1	23%	0.231	37%	0.367	C	S	.	.	H	α-helix	trans	-67	-35.2	-176	0	0	0	0	0	112.6	C257 K258 Y305	C257-A261 WeakPolarHBondContact O-CB 3.26Å; C257-A261 PolarHBondContact O-N 2.94Å; K258-A261 PolarHBondContact O-N 3.43Å; A261-Y305 HydrophobicContact CB-CE1 3.9Å
262	E	97.9	Very high	97.9	Very high	129 Å²	129	71.5 Å²	71.5	60%	0.603	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	5.1	-176.8	-61	-179.1	175.5	0	0	113.8	K258 I260	K258-E262 WeakPolarHBondContact CE-OE1 3.32Å; K258-E262 WeakPolarHBondContact CE-OE2 3.36Å; K258-E262 HydrophobicContact CG-CG 4.27Å; K258-E262 IonicContact NZ-OE1 3.13Å; K258-E262 IonicContact NZ-OE2 2.75Å; K258-E262 WeakPolarHBondContact O-CB 3.36Å; K258-E262 PolarHBondContact O-N 3.05Å; I260-E262 VanDerWaalsContact C-N 3.34Å; I260-E262 PolarHBondContact O-N 3.43Å
263	A	98	Very high	97.9	Very high	15 Å²	15	72.4 Å²	72.4	12%	0.124	35%	0.354	C	S	.	.			trans	-55.8	141.3	176.2	0	0	0	0	0	111.8	A259 N265 E268 R269	A259-A263 WeakPolarHBondContact O-CB 3.5Å; A259-A263 PolarHBondContact O-N 2.83Å; A259-A263 VanDerWaalsContact O-N 3.17Å; A263-N265 PolarHBondContact O-N 2.92Å; A263-E268 HydrophobicContact CB-CB 4.21Å; A263-R269 HydrophobicContact CB-CB 3.76Å; A263-R269 HydrophobicContact CB-CG 4.32Å; A263-R269 PolarHBondContact O-NH2 2.87Å
264	R	97.1	Very high	97.8	Very high	218 Å²	218	73.8 Å²	73.8	82%	0.823	37%	0.368	S	S	*	.	S	Bend	trans	-75	-26.8	-171.5	-60.8	173.1	176.1	173	-0.4	113.3	E268	R264-E268 WeakPolarHBondContact CB-OE2 3.48Å; R264-E268 WeakPolarHBondContact CG-OE2 3.45Å; R264-E268 PolarHBondContact N-OE2 2.94Å; R264-E268 VanDerWaalsContact N-OE2 3.15Å
265	N	96.9	Very high	97.8	Very high	66 Å²	66	71.9 Å²	71.9	35%	0.353	37%	0.365	S	S	.	.	S	Bend	trans	-153.1	170.6	-178	58.2	66.5	0	0	0	110.1	A263 E267 E268 R269	A263-N265 PolarHBondContact O-N 2.92Å; N265-E267 VanDerWaalsContact C-N 3.3Å; N265-E267 PolarHBondContact O-N 3.46Å; N265-E267 WeakPolarHBondContact OD1-CB 3.31Å; N265-E267 PolarHBondContact OD1-N 2.7Å; N265-E267 VanDerWaalsContact OD1-N 3.14Å; N265-E268 PolarHBondContact ND2-OE1 3.14Å; N265-E268 PolarHBondContact O-N 3.2Å; N265-E268 PolarHBondContact OD1-N 2.95Å; N265-R269 WeakPolarHBondContact O-CB 3.4Å; N265-R269 PolarHBondContact O-N 2.76Å
266	D	96.5	Very high	97.8	Very high	113 Å²	113	64.4 Å²	64.4	60%	0.604	33%	0.332	S	S	*	.	H	α-helix	trans	-66.2	-30.7	-176.4	-69.4	-16.9	0	0	0	113.2	R269 V270	D266-R269 PolarHBondContact O-N 3.32Å; D266-R269 IonicContact OD1-NH1 2.65Å; D266-R269 PolarHBondContact OD1-NH1 2.9Å; D266-V270 WeakPolarHBondContact O-CB 3.24Å; D266-V270 VanDerWaalsContact O-CG2 3.26Å; D266-V270 WeakPolarHBondContact O-CG2 3.5Å; D266-V270 PolarHBondContact O-N 2.97Å
267	E	96.8	Very high	97.8	Very high	131 Å²	131	68.9 Å²	68.9	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-68	-45.6	179.4	-160.5	-165.9	148.3	0	0	111.4	N265 R269 V270 K271	N265-E267 VanDerWaalsContact C-N 3.3Å; N265-E267 PolarHBondContact O-N 3.46Å; N265-E267 WeakPolarHBondContact OD1-CB 3.31Å; N265-E267 PolarHBondContact OD1-N 2.7Å; N265-E267 VanDerWaalsContact OD1-N 3.14Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 3.46Å; E267-V270 PolarHBondContact O-N 2.99Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 2.97Å; E267-K271 IonicContact OE1-NZ 2.65Å; E267-K271 PolarHBondContact OE1-NZ 2.87Å
268	E	97.3	Very high	97.8	Very high	78 Å²	78	74.3 Å²	74.3	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-41	171.9	-74.3	178.1	-164	0	0	111.2	A263 R264 N265 K271 A272	A263-E268 HydrophobicContact CB-CB 4.21Å; R264-E268 WeakPolarHBondContact CB-OE2 3.48Å; R264-E268 WeakPolarHBondContact CG-OE2 3.45Å; R264-E268 PolarHBondContact N-OE2 2.94Å; R264-E268 VanDerWaalsContact N-OE2 3.15Å; N265-E268 PolarHBondContact ND2-OE1 3.14Å; N265-E268 PolarHBondContact O-N 3.2Å; N265-E268 PolarHBondContact OD1-N 2.95Å; E268-K271 PolarHBondContact O-N 2.87Å; E268-A272 WeakPolarHBondContact O-CB 3.36Å; E268-A272 PolarHBondContact O-N 3.01Å
269	R	97.9	Very high	97.8	Very high	19 Å²	19	69.5 Å²	69.5	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-64.2	-45.5	179.6	-169.8	171.3	-64.1	102	5.1	112.1	I260 A263 N265 D266 E267 K271 A272 F273 Y309	I260-R269 HydrophobicContact CG2-CG 3.95Å; I260-R269 PolarHBondContact O-NE 3.4Å; A263-R269 HydrophobicContact CB-CB 3.76Å; A263-R269 HydrophobicContact CB-CG 4.32Å; A263-R269 PolarHBondContact O-NH2 2.87Å; N265-R269 WeakPolarHBondContact O-CB 3.4Å; N265-R269 PolarHBondContact O-N 2.76Å; D266-R269 PolarHBondContact O-N 3.32Å; D266-R269 IonicContact OD1-NH1 2.65Å; D266-R269 PolarHBondContact OD1-NH1 2.9Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 3.46Å; R269-K271 VanDerWaalsContact C-N 3.28Å; R269-K271 PolarHBondContact O-N 3.11Å; R269-A272 CarbonylContact O-C 3.56Å; R269-A272 PolarHBondContact O-N 2.95Å; R269-A272 VanDerWaalsContact O-N 3.13Å; R269-F273 HydrophobicContact CG-CD2 3.97Å; R269-F273 HydrophobicContact CG-CE2 3.89Å; R269-F273 WeakPolarHBondContact O-CD2 3.47Å; R269-F273 PolarHBondContact O-N 3.1Å; R269-Y309 VanDerWaalsContact CZ-CZ 3.44Å; R269-Y309 PolarHBondContact NH2-OH 3.32Å
270	V	96.8	Very high	97.8	Very high	96 Å²	96	68.5 Å²	68.5	58%	0.582	34%	0.344	S	S	*	.	H	α-helix	trans	-59.2	-41.4	177	167.7	0	0	0	0	110.7	D266 E267 F273	D266-V270 WeakPolarHBondContact O-CB 3.24Å; D266-V270 VanDerWaalsContact O-CG2 3.26Å; D266-V270 WeakPolarHBondContact O-CG2 3.5Å; D266-V270 PolarHBondContact O-N 2.97Å; E267-V270 PolarHBondContact O-N 2.99Å; V270-F273 WeakPolarHBondContact O-CB 3.33Å; V270-F273 PolarHBondContact O-N 3.35Å
271	K	97.1	Very high	97.8	Very high	141 Å²	141	72 Å²	72	61%	0.613	37%	0.365	S	S	*	.	H	α-helix	trans	-64.1	-43.7	174.3	-68.2	170.5	-171.1	165.2	0	111.6	E267 E268 R269 F273 G274	E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 2.97Å; E267-K271 IonicContact OE1-NZ 2.65Å; E267-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 PolarHBondContact O-N 2.87Å; R269-K271 VanDerWaalsContact C-N 3.28Å; R269-K271 PolarHBondContact O-N 3.11Å; K271-F273 PolarHBondContact O-N 3.28Å; K271-G274 PolarHBondContact O-N 3.06Å; K271-G274 VanDerWaalsContact O-N 3.13Å
272	A	97.7	Very high	97.8	Very high	25 Å²	25	74.2 Å²	74.2	21%	0.207	37%	0.37	C	S	.	.	H	α-helix	trans	-65.4	-21.4	178	0	0	0	0	0	113.6	A259 I260 E268 R269 G274 P275	A259-A272 HydrophobicContact CB-CB 4.46Å; I260-A272 HydrophobicContact CG1-CB 3.73Å; I260-A272 WeakPolarHBondContact CG1-O 3.49Å; E268-A272 WeakPolarHBondContact O-CB 3.36Å; E268-A272 PolarHBondContact O-N 3.01Å; R269-A272 CarbonylContact O-C 3.56Å; R269-A272 PolarHBondContact O-N 2.95Å; R269-A272 VanDerWaalsContact O-N 3.13Å; A272-G274 VanDerWaalsContact C-N 3.29Å; A272-G274 PolarHBondContact O-N 3.44Å; A272-P275 WeakPolarHBondContact O-CD 3.4Å
273	F	98.1	Very high	97.8	Very high	31 Å²	31	68.1 Å²	68.1	14%	0.136	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.8	173.8	-97.8	-75.6	0	0	0	114.2	I260 R269 V270 K271 I276 Q277 F310 V313	I260-F273 HydrophobicContact CD1-CD1 3.91Å; I260-F273 HydrophobicContact CD1-CD2 4.36Å; I260-F273 HydrophobicContact CD1-CE1 4.11Å; I260-F273 HydrophobicContact CD1-CG 4.03Å; I260-F273 HydrophobicContact CD1-CZ 4.43Å; I260-F273 HydrophobicContact CG1-CD2 4.31Å; I260-F273 HydrophobicContact CG1-CG 4.39Å; I260-F273 HydrophobicContact CG2-CD2 3.81Å; I260-F273 HydrophobicContact CG2-CE1 4.28Å; I260-F273 HydrophobicContact CG2-CE2 3.27Å; I260-F273 HydrophobicContact CG2-CZ 3.54Å; R269-F273 HydrophobicContact CG-CD2 3.97Å; R269-F273 HydrophobicContact CG-CE2 3.89Å; R269-F273 WeakPolarHBondContact O-CD2 3.47Å; R269-F273 PolarHBondContact O-N 3.1Å; V270-F273 WeakPolarHBondContact O-CB 3.33Å; V270-F273 PolarHBondContact O-N 3.35Å; K271-F273 PolarHBondContact O-N 3.28Å; F273-I276 HydrophobicContact CD1-CB 4.04Å; F273-I276 HydrophobicContact CD1-CG1 4.29Å; F273-I276 HydrophobicContact CD1-CG2 4.21Å; F273-I276 HydrophobicContact CE1-CG2 4.47Å; F273-I276 WeakPolarHBondContact O-CB 3.46Å; F273-I276 PolarHBondContact O-N 3.42Å; F273-Q277 PolarHBondContact O-N 3.34Å; F273-F310 AromaticContact CE1-CD1 3.95Å; F273-F310 HydrophobicContact CE1-CD1 3.95Å; F273-F310 AromaticContact CE1-CE1 3.93Å; F273-F310 HydrophobicContact CE1-CE1 3.93Å; F273-F310 HydrophobicContact CZ-CD1 4.02Å; F273-F310 AromaticContact CZ-CE1 3.96Å; F273-F310 HydrophobicContact CZ-CE1 3.96Å; F273-V313 HydrophobicContact CE1-CG2 4.3Å
274	G	98.3	Very high	97.9	Very high	30 Å²	30	71.2 Å²	71.2	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-48.1	-51.7	-178	0	0	0	0	0	114.2	K271 A272 I276 Q277 E278	K271-G274 PolarHBondContact O-N 3.06Å; K271-G274 VanDerWaalsContact O-N 3.13Å; A272-G274 VanDerWaalsContact C-N 3.29Å; A272-G274 PolarHBondContact O-N 3.44Å; G274-I276 VanDerWaalsContact C-N 3.32Å; G274-I276 PolarHBondContact O-N 3.35Å; G274-Q277 WeakPolarHBondContact O-CB 3.33Å; G274-Q277 PolarHBondContact O-N 3.02Å; G274-Q277 VanDerWaalsContact O-N 3.14Å; G274-E278 PolarHBondContact O-N 2.7Å
275	P	98.5	Very high	97.9	Very high	50 Å²	50	66.1 Å²	66.1	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-34.7	177.3	-26	35.9	0	0	0	114.2	I256 A272 E278 M279	I256-P275 HydrophobicContact CD1-CB 3.89Å; I256-P275 HydrophobicContact CG1-CB 4.41Å; I256-P275 HydrophobicContact CG2-CB 4.24Å; A272-P275 WeakPolarHBondContact O-CD 3.4Å; P275-E278 PolarHBondContact O-N 2.65Å; P275-M279 HydrophobicContact CB-CE 4.38Å; P275-M279 VanDerWaalsContact O-CE 3.32Å; P275-M279 WeakPolarHBondContact O-CE 3.25Å; P275-M279 PolarHBondContact O-N 3.14Å
276	I	98.4	Very high	98	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-41.3	175.6	-61.9	-63.4	0	0	0	110.4	L253 I256 I260 F273 G274 E278 M279 M280 L302 V313	L253-I276 HydrophobicContact CD1-CD1 3.88Å; I256-I276 HydrophobicContact CG2-CD1 3.94Å; I256-I276 HydrophobicContact CG2-CG1 3.96Å; I260-I276 HydrophobicContact CD1-CG1 3.68Å; F273-I276 HydrophobicContact CD1-CB 4.04Å; F273-I276 HydrophobicContact CD1-CG1 4.29Å; F273-I276 HydrophobicContact CD1-CG2 4.21Å; F273-I276 HydrophobicContact CE1-CG2 4.47Å; F273-I276 WeakPolarHBondContact O-CB 3.46Å; F273-I276 PolarHBondContact O-N 3.42Å; G274-I276 VanDerWaalsContact C-N 3.32Å; G274-I276 PolarHBondContact O-N 3.35Å; I276-E278 VanDerWaalsContact C-N 3.33Å; I276-E278 PolarHBondContact O-N 2.75Å; I276-M279 HydrophobicContact CD1-CE 3.82Å; I276-M279 PolarHBondContact O-N 3.15Å; I276-M280 HydrophobicContact CG2-CG 4.44Å; I276-M280 HydrophobicContact CG2-SD 4.41Å; I276-M280 VanDerWaalsContact O-CG 3.28Å; I276-M280 WeakPolarHBondContact O-CG 3.47Å; I276-M280 PolarHBondContact O-N 2.87Å; I276-L302 HydrophobicContact CD1-CD2 4.04Å; I276-L302 HydrophobicContact CG2-CD1 4.47Å; I276-V313 HydrophobicContact CG2-CG1 4.18Å
277	Q	98.2	Very high	98.1	Very high	116 Å²	116	58.3 Å²	58.3	54%	0.542	30%	0.296	S	S	.	.	H	α-helix	trans	-64.7	-38.4	177.9	-66.8	176.6	-9.5	0	0	112.2	F273 G274 M280 T281	F273-Q277 PolarHBondContact O-N 3.34Å; G274-Q277 WeakPolarHBondContact O-CB 3.33Å; G274-Q277 PolarHBondContact O-N 3.02Å; G274-Q277 VanDerWaalsContact O-N 3.14Å; Q277-M280 PolarHBondContact O-N 3.44Å; Q277-T281 PolarHBondContact O-N 3.38Å; Q277-T281 PolarHBondContact O-OG1 2.88Å
278	E	98.4	Very high	98.1	Very high	115 Å²	115	58.3 Å²	58.3	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-48.6	173.9	-173.9	174.5	-167.8	0	0	111.3	G274 P275 I276 M280 T281 F282	G274-E278 PolarHBondContact O-N 2.7Å; P275-E278 PolarHBondContact O-N 2.65Å; I276-E278 VanDerWaalsContact C-N 3.33Å; I276-E278 PolarHBondContact O-N 2.75Å; E278-M280 VanDerWaalsContact C-N 3.3Å; E278-M280 PolarHBondContact O-N 2.81Å; E278-T281 WeakPolarHBondContact O-CA 3.44Å; E278-T281 VanDerWaalsContact O-CB 3.3Å; E278-T281 WeakPolarHBondContact O-CB 3.49Å; E278-T281 PolarHBondContact O-N 3.19Å; E278-F282 HydrophobicContact CG-CD2 4.4Å; E278-F282 HydrophobicContact CG-CE2 3.67Å; E278-F282 HydrophobicContact CG-CZ 3.77Å; E278-F282 PolarHBondContact O-N 3.31Å
279	M	98.7	Very high	98.2	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-40.5	173.9	-80.1	-176	-88.1	0	0	112.6	P247 E248 L253 I256 P275 I276 T281 F282 V283 L298	P247-M279 HydrophobicContact CG-CG 3.55Å; P247-M279 HydrophobicContact CG-SD 4.23Å; E248-M279 HydrophobicContact CB-SD 4.31Å; E248-M279 HydrophobicContact CG-CE 4.24Å; E248-M279 HydrophobicContact CG-SD 4.25Å; L253-M279 HydrophobicContact CD1-CE 3.85Å; L253-M279 HydrophobicContact CD1-SD 4.25Å; I256-M279 HydrophobicContact CD1-CE 4.06Å; P275-M279 HydrophobicContact CB-CE 4.38Å; P275-M279 VanDerWaalsContact O-CE 3.32Å; P275-M279 WeakPolarHBondContact O-CE 3.25Å; P275-M279 PolarHBondContact O-N 3.14Å; I276-M279 HydrophobicContact CD1-CE 3.82Å; I276-M279 PolarHBondContact O-N 3.15Å; M279-T281 VanDerWaalsContact C-N 3.26Å; M279-T281 PolarHBondContact O-N 3.39Å; M279-F282 PolarHBondContact O-N 3.28Å; M279-V283 WeakPolarHBondContact O-CG2 3.4Å; M279-V283 PolarHBondContact O-N 2.8Å; M279-L298 HydrophobicContact CB-CD2 3.89Å; M279-L298 HydrophobicContact SD-CD1 4.11Å
280	M	98.4	Very high	98.2	Very high	35 Å²	35	61.6 Å²	61.6	17%	0.172	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-35.2	174.8	-73.5	-176.9	72.8	0	0	112.4	I276 Q277 E278 V283 Q284 V313 Q316 L317	I276-M280 HydrophobicContact CG2-CG 4.44Å; I276-M280 HydrophobicContact CG2-SD 4.41Å; I276-M280 VanDerWaalsContact O-CG 3.28Å; I276-M280 WeakPolarHBondContact O-CG 3.47Å; I276-M280 PolarHBondContact O-N 2.87Å; Q277-M280 PolarHBondContact O-N 3.44Å; E278-M280 VanDerWaalsContact C-N 3.3Å; E278-M280 PolarHBondContact O-N 2.81Å; M280-V283 PolarHBondContact O-N 3.15Å; M280-Q284 WeakPolarHBondContact O-CG 3.31Å; M280-Q284 PolarHBondContact O-N 3.17Å; M280-Q284 VanDerWaalsContact O-N 3.15Å; M280-V313 HydrophobicContact CE-CG1 4.26Å; M280-V313 HydrophobicContact CG-CG1 4.29Å; M280-V313 HydrophobicContact SD-CB 4.45Å; M280-V313 HydrophobicContact SD-CG1 3.63Å; M280-V313 HydrophobicContact SD-CG2 4.15Å; M280-Q316 HydrophobicContact CE-CB 4.29Å; M280-L317 HydrophobicContact CG-CD2 4.38Å
281	T	98.4	Very high	98.3	Very high	72 Å²	72	57.5 Å²	57.5	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-44.2	175.1	-55.5	0	0	0	0	110.6	Q277 E278 M279 V283 Q284 F285	Q277-T281 PolarHBondContact O-N 3.38Å; Q277-T281 PolarHBondContact O-OG1 2.88Å; E278-T281 WeakPolarHBondContact O-CA 3.44Å; E278-T281 VanDerWaalsContact O-CB 3.3Å; E278-T281 WeakPolarHBondContact O-CB 3.49Å; E278-T281 PolarHBondContact O-N 3.19Å; M279-T281 VanDerWaalsContact C-N 3.26Å; M279-T281 PolarHBondContact O-N 3.39Å; T281-V283 VanDerWaalsContact C-N 3.3Å; T281-V283 PolarHBondContact O-N 3.47Å; T281-Q284 WeakPolarHBondContact O-CB 3.05Å; T281-Q284 PolarHBondContact O-N 3.42Å; T281-Q284 VanDerWaalsContact O-N 3.1Å; T281-F285 HydrophobicContact CG2-CE2 3.89Å; T281-F285 HydrophobicContact CG2-CZ 4.15Å; T281-F285 PolarHBondContact O-N 3.46Å
282	F	98.6	Very high	98.4	Very high	75 Å²	75	53.4 Å²	53.4	33%	0.329	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-35.9	174.1	-60.5	-35.7	0	0	0	113	P247 E278 M279 Q284 F285 A286 M294	P247-F282 HydrophobicContact CB-CD2 4.5Å; P247-F282 HydrophobicContact CB-CE2 4.44Å; P247-F282 HydrophobicContact CG-CD2 3.97Å; P247-F282 HydrophobicContact CG-CE2 4.22Å; E278-F282 HydrophobicContact CG-CD2 4.4Å; E278-F282 HydrophobicContact CG-CE2 3.67Å; E278-F282 HydrophobicContact CG-CZ 3.77Å; E278-F282 PolarHBondContact O-N 3.31Å; M279-F282 PolarHBondContact O-N 3.28Å; F282-Q284 VanDerWaalsContact C-N 3.27Å; F282-Q284 PolarHBondContact O-N 2.96Å; F282-F285 HydrophobicContact CD1-CD2 4.18Å; F282-F285 HydrophobicContact CD1-CE2 4.45Å; F282-F285 PolarHBondContact O-N 2.86Å; F282-A286 WeakPolarHBondContact O-CB 3.28Å; F282-A286 PolarHBondContact O-N 3.3Å; F282-M294 HydrophobicContact CB-CE 3.8Å; F282-M294 HydrophobicContact CB-SD 4.44Å
283	V	98.7	Very high	98.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-36.6	172.9	166.8	0	0	0	0	111.5	M279 M280 T281 A286 N287 M294 G295 L298 L317	M279-V283 WeakPolarHBondContact O-CG2 3.4Å; M279-V283 PolarHBondContact O-N 2.8Å; M280-V283 PolarHBondContact O-N 3.15Å; T281-V283 VanDerWaalsContact C-N 3.3Å; T281-V283 PolarHBondContact O-N 3.47Å; V283-A286 PolarHBondContact O-N 2.86Å; V283-N287 WeakPolarHBondContact O-CB 3.39Å; V283-N287 PolarHBondContact O-N 3.14Å; V283-N287 PolarHBondContact O-ND2 3.39Å; V283-M294 HydrophobicContact CG2-CE 4.44Å; V283-M294 HydrophobicContact CG2-CG 4.05Å; V283-M294 HydrophobicContact CG2-SD 4.08Å; V283-G295 VanDerWaalsContact CG1-CA 3.41Å; V283-L298 HydrophobicContact CG2-CD2 4.06Å; V283-L317 HydrophobicContact CB-CD2 4.35Å; V283-L317 HydrophobicContact CG1-CD2 3.82Å; V283-L317 HydrophobicContact CG2-CD2 4.44Å
284	Q	98.5	Very high	98.5	Very high	80 Å²	80	51 Å²	51	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-45.5	175.1	-62.3	-51.4	-58.1	0	0	111.5	M280 T281 F282 A286 N287 D288	M280-Q284 WeakPolarHBondContact O-CG 3.31Å; M280-Q284 PolarHBondContact O-N 3.17Å; M280-Q284 VanDerWaalsContact O-N 3.15Å; T281-Q284 WeakPolarHBondContact O-CB 3.05Å; T281-Q284 PolarHBondContact O-N 3.42Å; T281-Q284 VanDerWaalsContact O-N 3.1Å; F282-Q284 VanDerWaalsContact C-N 3.27Å; F282-Q284 PolarHBondContact O-N 2.96Å; Q284-A286 VanDerWaalsContact C-N 3.3Å; Q284-A286 PolarHBondContact O-N 3.3Å; Q284-N287 PolarHBondContact O-N 3.23Å; Q284-D288 PolarHBondContact O-N 3.05Å
285	F	98.4	Very high	98.5	Very high	111 Å²	111	49.6 Å²	49.6	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-41.4	173.9	-60.9	-43.6	0	0	0	112.1	T281 F282 N287 D288 E289	T281-F285 HydrophobicContact CG2-CE2 3.89Å; T281-F285 HydrophobicContact CG2-CZ 4.15Å; T281-F285 PolarHBondContact O-N 3.46Å; F282-F285 HydrophobicContact CD1-CD2 4.18Å; F282-F285 HydrophobicContact CD1-CE2 4.45Å; F282-F285 PolarHBondContact O-N 2.86Å; F285-N287 VanDerWaalsContact C-N 3.34Å; F285-N287 PolarHBondContact O-N 3.12Å; F285-D288 PolarHBondContact O-N 3.47Å; F285-E289 WeakPolarHBondContact O-CB 2.85Å; F285-E289 WeakPolarHBondContact O-CG 3.29Å; F285-E289 PolarHBondContact O-N 2.88Å; F285-E289 VanDerWaalsContact O-N 3.08Å
286	A	98.5	Very high	98.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-43.5	175.4	0	0	0	0	0	111.4	R244 F282 V283 Q284 E289 C290 D291 M294	R244-A286 HydrophobicContact CG-CB 4.2Å; F282-A286 WeakPolarHBondContact O-CB 3.28Å; F282-A286 PolarHBondContact O-N 3.3Å; V283-A286 PolarHBondContact O-N 2.86Å; Q284-A286 VanDerWaalsContact C-N 3.3Å; Q284-A286 PolarHBondContact O-N 3.3Å; A286-E289 CarbonylContact O-C 3.59Å; A286-E289 PolarHBondContact O-N 3.05Å; A286-C290 PolarHBondContact O-N 3.27Å; A286-C290 VanDerWaalsContact O-N 3.07Å; A286-D291 HydrophobicContact CB-CB 4Å; A286-D291 WeakPolarHBondContact O-CA 3.4Å; A286-D291 PolarHBondContact O-N 3.34Å; A286-M294 HydrophobicContact CB-CB 4.06Å; A286-M294 HydrophobicContact CB-SD 3.68Å
287	N	98.3	Very high	98.5	Very high	16 Å²	16	47.5 Å²	47.5	9%	0.086	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-43.7	176.9	-71.9	-20.1	0	0	0	112.1	V283 Q284 F285 E289 C290 Y292 L324	V283-N287 WeakPolarHBondContact O-CB 3.39Å; V283-N287 PolarHBondContact O-N 3.14Å; V283-N287 PolarHBondContact O-ND2 3.39Å; Q284-N287 PolarHBondContact O-N 3.23Å; F285-N287 VanDerWaalsContact C-N 3.34Å; F285-N287 PolarHBondContact O-N 3.12Å; N287-E289 PolarHBondContact O-N 3.17Å; N287-C290 PolarHBondContact O-N 3.37Å; N287-Y292 HydrophobicContact CB-CD1 4.41Å; N287-Y292 VanDerWaalsContact O-CE1 3.28Å; N287-Y292 WeakPolarHBondContact O-CE1 3.44Å; N287-L324 HydrophobicContact CB-CD1 4.14Å
288	D	98.1	Very high	98.5	Very high	130 Å²	130	42 Å²	42	70%	0.695	21%	0.208	S	C	*	.	H	α-helix	trans	-60.4	-31.5	175.8	-70.3	-21.8	0	0	0	111.8	Q284 F285	Q284-D288 PolarHBondContact O-N 3.05Å; F285-D288 PolarHBondContact O-N 3.47Å
289	E	98.2	Very high	98.6	Very high	109 Å²	109	36.5 Å²	36.5	51%	0.509	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	12.7	178	-64.7	174	177	0	0	113.4	R244 F285 A286 N287 D291	R244-E289 IonicContact CZ-OE2 3.07Å; R244-E289 IonicContact NH1-OE2 2.71Å; R244-E289 PolarHBondContact NH1-OE2 2.94Å; R244-E289 IonicContact NH2-OE2 2.64Å; R244-E289 PolarHBondContact NH2-OE2 2.96Å; F285-E289 WeakPolarHBondContact O-CB 2.85Å; F285-E289 WeakPolarHBondContact O-CG 3.29Å; F285-E289 PolarHBondContact O-N 2.88Å; F285-E289 VanDerWaalsContact O-N 3.08Å; A286-E289 CarbonylContact O-C 3.59Å; A286-E289 PolarHBondContact O-N 3.05Å; N287-E289 PolarHBondContact O-N 3.17Å; E289-D291 VanDerWaalsContact C-N 3.28Å; E289-D291 PolarHBondContact O-N 3.46Å
290	C	98.2	Very high	98.6	Very high	57 Å²	57	36.4 Å²	36.4	39%	0.385	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	13.1	178.8	-58	0	0	0	0	116.7	V241 G242 A286 N287 Y292	V241-C290 HydrophobicContact CG1-CB 3.84Å; G242-C290 WeakPolarHBondContact CA-O 3.21Å; A286-C290 PolarHBondContact O-N 3.27Å; A286-C290 VanDerWaalsContact O-N 3.07Å; N287-C290 PolarHBondContact O-N 3.37Å; C290-Y292 HydrophobicContact CB-CE1 4.47Å; C290-Y292 HydrophobicContact CB-CE2 4.31Å; C290-Y292 PolarHBondContact O-N 3.1Å; C290-Y292 VanDerWaalsContact O-N 3.1Å; C290-Y292 PolarHBondContact SG-OH 3.04Å
291	D	98.6	Very high	98.6	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	17%	0.174	C	C	.	.			trans	-86.2	56.7	174.7	-74.8	-28.2	0	0	0	112.6	G242 Y243 R244 A286 E289 G293 M294	G242-D291 WeakPolarHBondContact CA-OD1 3.26Å; G242-D291 PolarHBondContact N-OD1 3.15Å; G242-D291 CarbonylContact O-C 3.55Å; Y243-D291 PolarHBondContact N-OD1 3.44Å; Y243-D291 VanDerWaalsContact N-OD1 3.1Å; R244-D291 HydrophobicContact CG-CB 4.07Å; R244-D291 IonicContact CZ-OD2 2.96Å; R244-D291 IonicContact NE-OD2 3.18Å; R244-D291 PolarHBondContact NE-OD2 3.16Å; R244-D291 IonicContact NH2-OD2 3.62Å; R244-D291 PolarHBondContact NH2-OD2 3.03Å; A286-D291 HydrophobicContact CB-CB 4Å; A286-D291 WeakPolarHBondContact O-CA 3.4Å; A286-D291 PolarHBondContact O-N 3.34Å; E289-D291 VanDerWaalsContact C-N 3.28Å; E289-D291 PolarHBondContact O-N 3.46Å; D291-G293 PolarHBondContact O-N 3.33Å; D291-M294 PolarHBondContact O-N 3.45Å
292	Y	98.6	Very high	98.6	Very high	56 Å²	56	31.3 Å²	31.3	22%	0.22	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-22.7	-174.7	-48.9	-46.5	0	0	0	113.9	G242 N287 C290 M294 G295 Y296 L324 L325	G242-Y292 PolarHBondContact O-N 3.44Å; N287-Y292 HydrophobicContact CB-CD1 4.41Å; N287-Y292 VanDerWaalsContact O-CE1 3.28Å; N287-Y292 WeakPolarHBondContact O-CE1 3.44Å; C290-Y292 HydrophobicContact CB-CE1 4.47Å; C290-Y292 HydrophobicContact CB-CE2 4.31Å; C290-Y292 PolarHBondContact O-N 3.1Å; C290-Y292 VanDerWaalsContact O-N 3.1Å; C290-Y292 PolarHBondContact SG-OH 3.04Å; Y292-M294 PolarHBondContact O-N 3.46Å; Y292-G295 PolarHBondContact O-N 3.4Å; Y292-Y296 PolarHBondContact O-N 3.48Å; Y292-L324 HydrophobicContact CD1-CB 3.67Å; Y292-L324 HydrophobicContact CD1-CD1 3.53Å; Y292-L324 HydrophobicContact CD1-CD2 4.42Å; Y292-L324 HydrophobicContact CD1-CG 4.05Å; Y292-L324 HydrophobicContact CD2-CB 3.97Å; Y292-L324 HydrophobicContact CE1-CB 3.87Å; Y292-L324 HydrophobicContact CE1-CD1 3.76Å; Y292-L324 HydrophobicContact CE1-CD2 3.89Å; Y292-L324 HydrophobicContact CE1-CG 4.04Å; Y292-L324 HydrophobicContact CE2-CB 4.19Å; Y292-L324 HydrophobicContact CG-CB 3.7Å; Y292-L324 HydrophobicContact CG-CD1 4.33Å; Y292-L325 HydrophobicContact CD2-CD2 4.36Å
293	G	98.7	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-26.9	178.7	0	0	0	0	0	114.4	G242 D291 Y296 E297	G242-G293 PolarHBondContact O-N 3.05Å; D291-G293 PolarHBondContact O-N 3.33Å; G293-Y296 WeakPolarHBondContact O-CB 3.32Å; G293-Y296 PolarHBondContact O-N 3.31Å; G293-E297 PolarHBondContact O-N 3.29Å
294	M	98.8	Very high	98.6	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.02	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-47.4	180	-171.7	-168	-175.2	0	0	111.6	R244 L246 F282 V283 A286 D291 Y292 Y296 E297 L298	R244-M294 HydrophobicContact CG-CB 3.94Å; R244-M294 HydrophobicContact CG-CG 4.1Å; R244-M294 HydrophobicContact CG-SD 3.76Å; R244-M294 WeakPolarHBondContact O-CB 3.06Å; L246-M294 HydrophobicContact CD2-CE 4Å; L246-M294 HydrophobicContact CD2-CG 3.77Å; F282-M294 HydrophobicContact CB-CE 3.8Å; F282-M294 HydrophobicContact CB-SD 4.44Å; V283-M294 HydrophobicContact CG2-CE 4.44Å; V283-M294 HydrophobicContact CG2-CG 4.05Å; V283-M294 HydrophobicContact CG2-SD 4.08Å; A286-M294 HydrophobicContact CB-CB 4.06Å; A286-M294 HydrophobicContact CB-SD 3.68Å; D291-M294 PolarHBondContact O-N 3.45Å; Y292-M294 PolarHBondContact O-N 3.46Å; M294-Y296 VanDerWaalsContact C-N 3.28Å; M294-Y296 PolarHBondContact O-N 2.93Å; M294-E297 PolarHBondContact O-N 3.45Å; M294-L298 PolarHBondContact O-N 3.28Å; M294-L298 VanDerWaalsContact O-N 3.1Å
295	G	98.8	Very high	98.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-66.5	-33.1	176.4	0	0	0	0	0	112.5	V283 Y292 G299	V283-G295 VanDerWaalsContact CG1-CA 3.41Å; Y292-G295 PolarHBondContact O-N 3.4Å; G295-G299 PolarHBondContact O-N 3.07Å; G295-G299 VanDerWaalsContact O-N 3.07Å
296	Y	98.8	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-49.5	174.1	-175.2	-158.6	0	0	0	111.6	E118 I232 V234 Y292 G293 M294 G299 I300 L318 Y322 L325	E118-Y296 PolarHBondContact OE1-OH 2.75Å; I232-Y296 HydrophobicContact CB-CD1 4.09Å; I232-Y296 HydrophobicContact CB-CE1 3.59Å; I232-Y296 HydrophobicContact CD1-CD1 3.71Å; I232-Y296 HydrophobicContact CD1-CE1 4.13Å; I232-Y296 HydrophobicContact CD1-CG 4.13Å; I232-Y296 HydrophobicContact CG1-CD1 4.48Å; I232-Y296 HydrophobicContact CG1-CE1 4.44Å; I232-Y296 HydrophobicContact CG2-CD1 4.23Å; I232-Y296 HydrophobicContact CG2-CE1 3.6Å; I232-Y296 HydrophobicContact CG2-CE2 4.21Å; V234-Y296 HydrophobicContact CG1-CD1 3.8Å; V234-Y296 HydrophobicContact CG1-CE1 4.31Å; Y292-Y296 PolarHBondContact O-N 3.48Å; G293-Y296 WeakPolarHBondContact O-CB 3.32Å; G293-Y296 PolarHBondContact O-N 3.31Å; M294-Y296 VanDerWaalsContact C-N 3.28Å; M294-Y296 PolarHBondContact O-N 2.93Å; Y296-G299 PolarHBondContact O-N 3.16Å; Y296-I300 HydrophobicContact CD2-CD1 4.48Å; Y296-I300 HydrophobicContact CD2-CG1 3.71Å; Y296-I300 HydrophobicContact CE2-CD1 3.84Å; Y296-I300 HydrophobicContact CE2-CG1 3.4Å; Y296-I300 WeakPolarHBondContact O-CG1 3.48Å; Y296-I300 PolarHBondContact O-N 2.89Å; Y296-L318 HydrophobicContact CD2-CD2 3.75Å; Y296-L318 HydrophobicContact CE2-CD2 4.36Å; Y296-L318 WeakPolarHBondContact O-CD2 3.25Å; Y296-Y322 HydrophobicContact CD2-CE1 4.23Å; Y296-Y322 AromaticContact CE2-CE1 3.63Å; Y296-Y322 HydrophobicContact CE2-CE1 3.63Å; Y296-Y322 AromaticContact CE2-CZ 3.78Å; Y296-Y322 AromaticContact CZ-CE1 3.99Å; Y296-L325 HydrophobicContact CD1-CD1 3.84Å; Y296-L325 HydrophobicContact CE1-CD1 4.48Å; Y296-L325 HydrophobicContact CG-CD1 4.28Å
297	E	98.9	Very high	98.5	Very high	7 Å²	7	23.4 Å²	23.4	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-57.3	-55.2	176.5	177.1	175.8	-146.6	0	0	112	T224 T226 I232 Y243 L246 G293 M294 G299 I300 D301	T224-E297 VanDerWaalsContact CB-OE1 3.27Å; T224-E297 WeakPolarHBondContact CB-OE1 3.29Å; T224-E297 HydrophobicContact CG2-CB 4.02Å; T224-E297 VanDerWaalsContact CG2-CD 3.43Å; T224-E297 HydrophobicContact CG2-CG 3.78Å; T224-E297 VanDerWaalsContact CG2-OE1 3.28Å; T224-E297 WeakPolarHBondContact CG2-OE1 3.49Å; T224-E297 PolarHBondContact OG1-OE1 3.37Å; T226-E297 HydrophobicContact CG2-CG 4.33Å; I232-E297 HydrophobicContact CD1-CB 4.01Å; Y243-E297 WeakPolarHBondContact CE2-OE2 3.45Å; Y243-E297 PolarHBondContact OH-OE2 3.21Å; Y243-E297 VanDerWaalsContact OH-OE2 3.05Å; L246-E297 HydrophobicContact CD1-CG 3.94Å; L246-E297 HydrophobicContact CG-CG 4.24Å; G293-E297 PolarHBondContact O-N 3.29Å; M294-E297 PolarHBondContact O-N 3.45Å; E297-G299 VanDerWaalsContact C-N 3.27Å; E297-G299 PolarHBondContact O-N 3.34Å; E297-I300 PolarHBondContact O-N 3.25Å; E297-I300 VanDerWaalsContact O-N 3.11Å; E297-D301 PolarHBondContact O-N 3.01Å
298	L	98.9	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.6	-43.3	-178.6	-178.5	60.9	0	0	0	111.6	L246 L253 M279 V283 M294 D301 L302 L317	L246-L298 HydrophobicContact CD1-CB 4.28Å; L246-L298 HydrophobicContact CD1-CD1 4.18Å; L246-L298 HydrophobicContact CD2-CB 3.84Å; L253-L298 HydrophobicContact CD1-CD1 4.17Å; L253-L298 HydrophobicContact CD2-CD1 4.11Å; M279-L298 HydrophobicContact CB-CD2 3.89Å; M279-L298 HydrophobicContact SD-CD1 4.11Å; V283-L298 HydrophobicContact CG2-CD2 4.06Å; M294-L298 PolarHBondContact O-N 3.28Å; M294-L298 VanDerWaalsContact O-N 3.1Å; L298-D301 PolarHBondContact O-N 2.86Å; L298-L302 HydrophobicContact CD1-CD1 4.24Å; L298-L302 HydrophobicContact CD1-CG 4.28Å; L298-L302 HydrophobicContact CG-CD1 4.18Å; L298-L302 WeakPolarHBondContact O-CB 3.26Å; L298-L302 VanDerWaalsContact O-CG 3.25Å; L298-L302 WeakPolarHBondContact O-CG 3.48Å; L298-L302 PolarHBondContact O-N 3.31Å; L298-L317 HydrophobicContact CB-CD1 4.21Å; L298-L317 HydrophobicContact CD2-CD1 3.78Å; L298-L317 HydrophobicContact CG-CD1 3.76Å
299	G	98.9	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.7	-42.4	178.5	0	0	0	0	0	112.7	G295 Y296 E297 F303	G295-G299 PolarHBondContact O-N 3.07Å; G295-G299 VanDerWaalsContact O-N 3.07Å; Y296-G299 PolarHBondContact O-N 3.16Å; E297-G299 VanDerWaalsContact C-N 3.27Å; E297-G299 PolarHBondContact O-N 3.34Å; G299-F303 WeakPolarHBondContact O-CB 3.35Å; G299-F303 PolarHBondContact O-N 3.48Å
300	I	98.9	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.7	-44	177.1	-74.4	-61.8	0	0	0	111	P116 T226 H228 Y296 E297 L302 F303 C304 L318	P116-I300 HydrophobicContact CB-CD1 4.13Å; T226-I300 HydrophobicContact CG2-CB 4.4Å; T226-I300 HydrophobicContact CG2-CG2 3.9Å; T226-I300 WeakPolarHBondContact OG1-CG2 3.46Å; H228-I300 VanDerWaalsContact CD2-CG2 3.44Å; H228-I300 WeakPolarHBondContact CD2-CG2 3.4Å; H228-I300 VanDerWaalsContact NE2-CG2 3.28Å; H228-I300 WeakPolarHBondContact NE2-CG2 3.12Å; Y296-I300 HydrophobicContact CD2-CD1 4.48Å; Y296-I300 HydrophobicContact CD2-CG1 3.71Å; Y296-I300 HydrophobicContact CE2-CD1 3.84Å; Y296-I300 HydrophobicContact CE2-CG1 3.4Å; Y296-I300 WeakPolarHBondContact O-CG1 3.48Å; Y296-I300 PolarHBondContact O-N 2.89Å; E297-I300 PolarHBondContact O-N 3.25Å; E297-I300 VanDerWaalsContact O-N 3.11Å; I300-L302 VanDerWaalsContact C-N 3.34Å; I300-L302 PolarHBondContact O-N 3.36Å; I300-F303 WeakPolarHBondContact O-CB 3.48Å; I300-F303 PolarHBondContact O-N 2.89Å; I300-C304 VanDerWaalsContact O-CB 3.26Å; I300-C304 WeakPolarHBondContact O-CB 3.36Å; I300-C304 PolarHBondContact O-N 3.04Å; I300-C304 PolarHBondContact O-SG 3.14Å; I300-L318 HydrophobicContact CD1-CD1 4.05Å; I300-L318 HydrophobicContact CD1-CD2 4.28Å; I300-L318 HydrophobicContact CG1-CD2 4.04Å
301	D	98.9	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.5	-43.3	179.3	-77.6	-11.6	0	0	0	112	T226 F227 L253 E297 L298 C304 Y305	T226-D301 VanDerWaalsContact CA-OD1 3.25Å; T226-D301 WeakPolarHBondContact CA-OD1 3.15Å; T226-D301 WeakPolarHBondContact CB-OD1 3.28Å; F227-D301 HydrophobicContact CD1-CB 4.03Å; F227-D301 VanDerWaalsContact CD1-CG 3.44Å; F227-D301 VanDerWaalsContact CD1-OD1 3.25Å; F227-D301 WeakPolarHBondContact CD1-OD1 3.37Å; F227-D301 HydrophobicContact CD2-CB 3.91Å; F227-D301 WeakPolarHBondContact CD2-O 3.32Å; F227-D301 HydrophobicContact CE1-CB 3.98Å; F227-D301 HydrophobicContact CE2-CB 3.86Å; F227-D301 HydrophobicContact CG-CB 3.99Å; F227-D301 WeakPolarHBondContact CG-OD1 3.47Å; F227-D301 HydrophobicContact CZ-CB 3.9Å; F227-D301 PolarHBondContact N-OD1 2.88Å; L253-D301 HydrophobicContact CD2-CB 3.72Å; E297-D301 PolarHBondContact O-N 3.01Å; L298-D301 PolarHBondContact O-N 2.86Å; D301-C304 PolarHBondContact O-N 3.46Å; D301-Y305 PolarHBondContact O-N 3.49Å
302	L	98.9	Very high	98.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-66.4	-39.2	174.8	-67.2	179.3	0	0	0	112.3	C257 I276 L298 I300 C304 Y305 G306 F310 V313 V314 L317	C257-L302 VanDerWaalsContact SG-CD2 3.57Å; I276-L302 HydrophobicContact CD1-CD2 4.04Å; I276-L302 HydrophobicContact CG2-CD1 4.47Å; L298-L302 HydrophobicContact CD1-CD1 4.24Å; L298-L302 HydrophobicContact CD1-CG 4.28Å; L298-L302 HydrophobicContact CG-CD1 4.18Å; L298-L302 WeakPolarHBondContact O-CB 3.26Å; L298-L302 VanDerWaalsContact O-CG 3.25Å; L298-L302 WeakPolarHBondContact O-CG 3.48Å; L298-L302 PolarHBondContact O-N 3.31Å; I300-L302 VanDerWaalsContact C-N 3.34Å; I300-L302 PolarHBondContact O-N 3.36Å; L302-C304 VanDerWaalsContact C-N 3.34Å; L302-Y305 PolarHBondContact O-N 3.1Å; L302-G306 PolarHBondContact O-N 3.4Å; L302-F310 HydrophobicContact CB-CB 4.18Å; L302-F310 HydrophobicContact CB-CG 4.43Å; L302-F310 HydrophobicContact CD2-CD1 3.89Å; L302-F310 HydrophobicContact CD2-CD2 4.48Å; L302-F310 HydrophobicContact CD2-CE1 4.15Å; L302-F310 HydrophobicContact CD2-CG 4.08Å; L302-V313 HydrophobicContact CD1-CB 4.36Å; L302-V313 HydrophobicContact CD1-CG1 3.6Å; L302-V314 HydrophobicContact CB-CG2 3.7Å; L302-L317 HydrophobicContact CD1-CD1 4.2Å
303	F	98.8	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-44.4	172.5	171.7	-91.5	0	0	0	111.6	D115 P116 G299 I300 Y305 G306 V314 L318 L334 H337 L338 R341	D115-F303 WeakPolarHBondContact O-CZ 3.39Å; P116-F303 HydrophobicContact CB-CE1 4.16Å; G299-F303 WeakPolarHBondContact O-CB 3.35Å; G299-F303 PolarHBondContact O-N 3.48Å; I300-F303 WeakPolarHBondContact O-CB 3.48Å; I300-F303 PolarHBondContact O-N 2.89Å; F303-Y305 VanDerWaalsContact C-N 3.35Å; F303-G306 PolarHBondContact O-N 2.92Å; F303-V314 HydrophobicContact CB-CG1 4.1Å; F303-V314 HydrophobicContact CB-CG2 4.41Å; F303-L318 HydrophobicContact CB-CD1 4.44Å; F303-L334 HydrophobicContact CD2-CD1 3.92Å; F303-L334 HydrophobicContact CE2-CD1 4.07Å; F303-H337 AromaticContact CE2-ND1 3.74Å; F303-H337 AromaticContact CZ-CE1 3.72Å; F303-H337 AromaticContact CZ-ND1 3.74Å; F303-L338 HydrophobicContact CD2-CD2 4.12Å; F303-L338 HydrophobicContact CE2-CD2 4.32Å; F303-R341 VanDerWaalsContact CE2-NH2 3.3Å; F303-R341 VanDerWaalsContact CZ-NH2 3.27Å; F303-R341 PolarHBondContact O-NH1 3.13Å; F303-R341 PolarHBondContact O-NH2 2.9Å
304	C	98.8	Very high	98.3	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-70.7	-26.3	179.5	-77.3	0	0	0	0	113.5	Y114 C156 F227 H228 I300 D301 L302 G306	Y114-C304 VanDerWaalsContact CE1-O 3.23Å; Y114-C304 WeakPolarHBondContact CE1-O 3.36Å; C156-C304 HydrophobicContact CB-CB 3.91Å; F227-C304 HydrophobicContact CB-CB 3.65Å; F227-C304 HydrophobicContact CD2-CB 4.34Å; F227-C304 HydrophobicContact CG-CB 4.49Å; H228-C304 VanDerWaalsContact CD2-SG 3.53Å; I300-C304 VanDerWaalsContact O-CB 3.26Å; I300-C304 WeakPolarHBondContact O-CB 3.36Å; I300-C304 PolarHBondContact O-N 3.04Å; I300-C304 PolarHBondContact O-SG 3.14Å; D301-C304 PolarHBondContact O-N 3.46Å; L302-C304 VanDerWaalsContact C-N 3.34Å; C304-G306 VanDerWaalsContact C-N 3.26Å
305	Y	98.6	Very high	98.3	Very high	64 Å²	64	28.5 Å²	28.5	25%	0.251	13%	0.132	S	C	.	.	H	α-helix	trans	-67	-31.5	171.8	-167.7	-87.2	0	0	0	111.6	C257 K258 A261 D301 L302 F303 S307 F310	C257-Y305 HydrophobicContact CB-CD1 3.89Å; C257-Y305 HydrophobicContact CB-CD2 3.32Å; C257-Y305 HydrophobicContact CB-CE1 3.92Å; C257-Y305 HydrophobicContact CB-CE2 3.35Å; C257-Y305 HydrophobicContact CB-CG 3.6Å; K258-Y305 WeakPolarHBondContact CA-OH 3.41Å; K258-Y305 PolarHBondContact N-OH 2.99Å; A261-Y305 HydrophobicContact CB-CE1 3.9Å; D301-Y305 PolarHBondContact O-N 3.49Å; L302-Y305 PolarHBondContact O-N 3.1Å; F303-Y305 VanDerWaalsContact C-N 3.35Å; Y305-S307 PolarHBondContact O-N 2.75Å; Y305-F310 HydrophobicContact CD1-CD2 4.03Å; Y305-F310 AromaticContact CD1-CE2 3.46Å; Y305-F310 HydrophobicContact CD1-CE2 3.46Å; Y305-F310 VanDerWaalsContact CD1-CE2 3.46Å; Y305-F310 AromaticContact CE1-CE2 3.96Å; Y305-F310 HydrophobicContact CE1-CE2 3.96Å; Y305-F310 HydrophobicContact CG-CE2 4.16Å
306	G	97.1	Very high	98.2	Very high	14 Å²	14	33 Å²	33	14%	0.144	15%	0.152	C	C	.	.			trans	82.3	5	165.8	0	0	0	0	0	116.3	F113 L302 F303 C304	F113-G306 VanDerWaalsContact CZ-O 3.31Å; F113-G306 WeakPolarHBondContact CZ-O 3.09Å; L302-G306 PolarHBondContact O-N 3.4Å; F303-G306 PolarHBondContact O-N 2.92Å; C304-G306 VanDerWaalsContact C-N 3.26Å
307	S	97.2	Very high	98.2	Very high	18 Å²	18	33.3 Å²	33.3	13%	0.126	15%	0.154	C	C	.	.			trans	-81.4	134.5	175.9	-171.9	0	0	0	0	111.7	Y305 Y309 F310	Y305-S307 PolarHBondContact O-N 2.75Å; S307-Y309 PolarHBondContact O-N 3.39Å; S307-Y309 VanDerWaalsContact O-N 3.14Å; S307-Y309 WeakPolarHBondContact OG-CD2 3.48Å; S307-F310 PolarHBondContact O-N 3.2Å
308	H	96.2	Very high	98.2	Very high	118 Å²	118	33 Å²	33	55%	0.546	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-60.4	-24	178.2	69.2	-86.6	0	0	0	113.3	F310 H311	H308-F310 PolarHBondContact O-N 3.13Å; H308-F310 VanDerWaalsContact O-N 3.16Å; H308-H311 WeakPolarHBondContact O-CB 3.43Å; H308-H311 PolarHBondContact O-N 2.92Å; H308-H311 VanDerWaalsContact O-N 3.12Å
309	Y	97.8	Very high	98.2	Very high	81 Å²	81	34 Å²	34	32%	0.318	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-59.8	-23.9	174.6	-65.9	-61.7	0	0	0	113.1	R269 S307	R269-Y309 VanDerWaalsContact CZ-CZ 3.44Å; R269-Y309 PolarHBondContact NH2-OH 3.32Å; S307-Y309 PolarHBondContact O-N 3.39Å; S307-Y309 VanDerWaalsContact O-N 3.14Å; S307-Y309 WeakPolarHBondContact OG-CD2 3.48Å
310	F	98.4	Very high	98.2	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-90.1	-11.3	179.1	-56.8	-56.6	0	0	0	113.9	C257 I260 F273 L302 Y305 S307 H308 K312 V313 V314	C257-F310 HydrophobicContact CB-CE2 4.05Å; C257-F310 HydrophobicContact CB-CZ 3.89Å; I260-F310 HydrophobicContact CB-CE1 4.14Å; I260-F310 HydrophobicContact CB-CZ 3.92Å; I260-F310 HydrophobicContact CD1-CE1 3.73Å; I260-F310 HydrophobicContact CD1-CZ 4.16Å; I260-F310 HydrophobicContact CG2-CE1 3.71Å; I260-F310 HydrophobicContact CG2-CZ 3.75Å; F273-F310 AromaticContact CE1-CD1 3.95Å; F273-F310 HydrophobicContact CE1-CD1 3.95Å; F273-F310 AromaticContact CE1-CE1 3.93Å; F273-F310 HydrophobicContact CE1-CE1 3.93Å; F273-F310 HydrophobicContact CZ-CD1 4.02Å; F273-F310 AromaticContact CZ-CE1 3.96Å; F273-F310 HydrophobicContact CZ-CE1 3.96Å; L302-F310 HydrophobicContact CB-CB 4.18Å; L302-F310 HydrophobicContact CB-CG 4.43Å; L302-F310 HydrophobicContact CD2-CD1 3.89Å; L302-F310 HydrophobicContact CD2-CD2 4.48Å; L302-F310 HydrophobicContact CD2-CE1 4.15Å; L302-F310 HydrophobicContact CD2-CG 4.08Å; Y305-F310 HydrophobicContact CD1-CD2 4.03Å; Y305-F310 AromaticContact CD1-CE2 3.46Å; Y305-F310 HydrophobicContact CD1-CE2 3.46Å; Y305-F310 VanDerWaalsContact CD1-CE2 3.46Å; Y305-F310 AromaticContact CE1-CE2 3.96Å; Y305-F310 HydrophobicContact CE1-CE2 3.96Å; Y305-F310 HydrophobicContact CG-CE2 4.16Å; S307-F310 PolarHBondContact O-N 3.2Å; H308-F310 PolarHBondContact O-N 3.13Å; H308-F310 VanDerWaalsContact O-N 3.16Å; F310-K312 PolarHBondContact O-N 3.31Å; F310-K312 VanDerWaalsContact O-N 3.11Å; F310-V313 PolarHBondContact O-N 2.97Å; F310-V314 HydrophobicContact CB-CG2 4.25Å; F310-V314 WeakPolarHBondContact O-CG2 3.28Å; F310-V314 PolarHBondContact O-N 3.27Å
311	H	97.7	Very high	98.2	Very high	40 Å²	40	38.1 Å²	38.1	19%	0.185	18%	0.18	C	C	.	.	H	α-helix	trans	-54.7	-39.5	-173.5	-72.4	-173.7	0	0	0	112.8	H308 K315	H308-H311 WeakPolarHBondContact O-CB 3.43Å; H308-H311 PolarHBondContact O-N 2.92Å; H308-H311 VanDerWaalsContact O-N 3.12Å; H311-K315 WeakPolarHBondContact O-CB 3.28Å; H311-K315 VanDerWaalsContact O-CG 3.31Å; H311-K315 WeakPolarHBondContact O-CG 3.16Å; H311-K315 PolarHBondContact O-N 2.86Å
312	K	97.2	Very high	98.1	Very high	153 Å²	153	38.1 Å²	38.1	67%	0.665	18%	0.18	S	C	*	.	H	α-helix	trans	-64	-44.3	177.5	-174	177.4	179.4	-178.9	0	112.2	F310 K315 Q316	F310-K312 PolarHBondContact O-N 3.31Å; F310-K312 VanDerWaalsContact O-N 3.11Å; K312-K315 PolarHBondContact O-N 3.48Å; K312-Q316 WeakPolarHBondContact O-CG 3.45Å; K312-Q316 PolarHBondContact O-N 3.31Å
313	V	98.1	Very high	98.1	Very high	14 Å²	14	41.2 Å²	41.2	9%	0.085	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-43.1	179.4	175	0	0	0	0	110.4	F273 I276 M280 L302 F310 K315 Q316 L317	F273-V313 HydrophobicContact CE1-CG2 4.3Å; I276-V313 HydrophobicContact CG2-CG1 4.18Å; M280-V313 HydrophobicContact CE-CG1 4.26Å; M280-V313 HydrophobicContact CG-CG1 4.29Å; M280-V313 HydrophobicContact SD-CB 4.45Å; M280-V313 HydrophobicContact SD-CG1 3.63Å; M280-V313 HydrophobicContact SD-CG2 4.15Å; L302-V313 HydrophobicContact CD1-CB 4.36Å; L302-V313 HydrophobicContact CD1-CG1 3.6Å; F310-V313 PolarHBondContact O-N 2.97Å; V313-K315 VanDerWaalsContact C-N 3.32Å; V313-K315 PolarHBondContact O-N 3.17Å; V313-Q316 WeakPolarHBondContact O-CB 3.41Å; V313-Q316 PolarHBondContact O-N 3.11Å; V313-L317 HydrophobicContact CG1-CD1 3.65Å; V313-L317 HydrophobicContact CG1-CG 4.23Å; V313-L317 WeakPolarHBondContact O-CG 3.49Å; V313-L317 PolarHBondContact O-N 3.35Å
314	V	98.8	Very high	98.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-42.5	175.8	179	0	0	0	0	111	L302 F303 F310 Q316 L317 L318 P319 L334 L338	L302-V314 HydrophobicContact CB-CG2 3.7Å; F303-V314 HydrophobicContact CB-CG1 4.1Å; F303-V314 HydrophobicContact CB-CG2 4.41Å; F310-V314 HydrophobicContact CB-CG2 4.25Å; F310-V314 WeakPolarHBondContact O-CG2 3.28Å; F310-V314 PolarHBondContact O-N 3.27Å; V314-Q316 PolarHBondContact O-N 3.14Å; V314-L317 PolarHBondContact O-N 2.93Å; V314-L318 HydrophobicContact CG1-CD1 3.59Å; V314-L318 HydrophobicContact CG1-CG 4.06Å; V314-L318 PolarHBondContact O-N 3.41Å; V314-P319 WeakPolarHBondContact O-CD 3.2Å; V314-L334 HydrophobicContact CG1-CD1 4.34Å; V314-L334 HydrophobicContact CG1-CD2 4.24Å; V314-L338 HydrophobicContact CB-CD1 4.09Å; V314-L338 HydrophobicContact CG1-CD1 3.69Å
315	K	97.8	Very high	98.1	Very high	82 Å²	82	45.1 Å²	45.1	36%	0.357	22%	0.221	S	C	.	.	H	α-helix	trans	-63.7	-22.1	174.1	-76.6	-174.7	178.2	-166.7	0	113.8	H311 K312 V313 P319 L338 S339	H311-K315 WeakPolarHBondContact O-CB 3.28Å; H311-K315 VanDerWaalsContact O-CG 3.31Å; H311-K315 WeakPolarHBondContact O-CG 3.16Å; H311-K315 PolarHBondContact O-N 2.86Å; K312-K315 PolarHBondContact O-N 3.48Å; V313-K315 VanDerWaalsContact C-N 3.32Å; V313-K315 PolarHBondContact O-N 3.17Å; K315-P319 VanDerWaalsContact O-CD 3.27Å; K315-P319 WeakPolarHBondContact O-CD 3.25Å; K315-P319 VanDerWaalsContact O-CG 3.32Å; K315-P319 WeakPolarHBondContact O-CG 3.42Å; K315-L338 VanDerWaalsContact CE-CB 3.5Å; K315-L338 HydrophobicContact CG-CB 4.44Å; K315-L338 HydrophobicContact CG-CD1 3.55Å; K315-S339 PolarHBondContact NZ-OG 3.33Å
316	Q	97.9	Very high	98.1	Very high	94 Å²	94	49.9 Å²	49.9	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-86.3	-39.7	175.6	-71.1	170.6	-29.5	0	0	111.7	M280 K312 V313 V314 M320	M280-Q316 HydrophobicContact CE-CB 4.29Å; K312-Q316 WeakPolarHBondContact O-CG 3.45Å; K312-Q316 PolarHBondContact O-N 3.31Å; V313-Q316 WeakPolarHBondContact O-CB 3.41Å; V313-Q316 PolarHBondContact O-N 3.11Å; V314-Q316 PolarHBondContact O-N 3.14Å; Q316-M320 WeakPolarHBondContact O-CB 3.44Å
317	L	98.8	Very high	98.2	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-79	-55.7	-175.2	-69.8	171.3	0	0	0	112.7	M280 V283 L298 L302 V313 V314 M320 A321	M280-L317 HydrophobicContact CG-CD2 4.38Å; V283-L317 HydrophobicContact CB-CD2 4.35Å; V283-L317 HydrophobicContact CG1-CD2 3.82Å; V283-L317 HydrophobicContact CG2-CD2 4.44Å; L298-L317 HydrophobicContact CB-CD1 4.21Å; L298-L317 HydrophobicContact CD2-CD1 3.78Å; L298-L317 HydrophobicContact CG-CD1 3.76Å; L302-L317 HydrophobicContact CD1-CD1 4.2Å; V313-L317 HydrophobicContact CG1-CD1 3.65Å; V313-L317 HydrophobicContact CG1-CG 4.23Å; V313-L317 WeakPolarHBondContact O-CG 3.49Å; V313-L317 PolarHBondContact O-N 3.35Å; V314-L317 PolarHBondContact O-N 2.93Å; L317-M320 PolarHBondContact O-N 3.26Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.48Å
318	L	98.8	Very high	98.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-74.5	-45.9	-165.6	-73.2	-174	0	0	0	114	Y296 I300 F303 V314 M320 A321 Y322 L334	Y296-L318 HydrophobicContact CD2-CD2 3.75Å; Y296-L318 HydrophobicContact CE2-CD2 4.36Å; Y296-L318 WeakPolarHBondContact O-CD2 3.25Å; I300-L318 HydrophobicContact CD1-CD1 4.05Å; I300-L318 HydrophobicContact CD1-CD2 4.28Å; I300-L318 HydrophobicContact CG1-CD2 4.04Å; F303-L318 HydrophobicContact CB-CD1 4.44Å; V314-L318 HydrophobicContact CG1-CD1 3.59Å; V314-L318 HydrophobicContact CG1-CG 4.06Å; V314-L318 PolarHBondContact O-N 3.41Å; L318-M320 PolarHBondContact O-N 2.74Å; L318-A321 PolarHBondContact O-N 2.93Å; L318-Y322 HydrophobicContact CB-CD2 4.22Å; L318-Y322 HydrophobicContact CB-CE2 3.98Å; L318-Y322 HydrophobicContact CD2-CE2 4.48Å; L318-Y322 WeakPolarHBondContact O-CB 3.44Å; L318-Y322 WeakPolarHBondContact O-CD2 3.45Å; L318-Y322 PolarHBondContact O-N 2.95Å; L318-L334 HydrophobicContact CB-CD2 3.16Å; L318-L334 HydrophobicContact CD1-CD1 3.97Å; L318-L334 HydrophobicContact CD1-CD2 3.52Å; L318-L334 HydrophobicContact CD1-CG 4.4Å; L318-L334 HydrophobicContact CG-CD2 3.94Å
319	P	98.5	Very high	98.3	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.143	24%	0.237	C	C	.	.	H	α-helix	trans	-57.2	-38	175.1	-26.6	37.5	0	0	0	112.4	V314 K315 S323 L334 E335	V314-P319 WeakPolarHBondContact O-CD 3.2Å; K315-P319 VanDerWaalsContact O-CD 3.27Å; K315-P319 WeakPolarHBondContact O-CD 3.25Å; K315-P319 VanDerWaalsContact O-CG 3.32Å; K315-P319 WeakPolarHBondContact O-CG 3.42Å; P319-S323 WeakPolarHBondContact O-CB 3.47Å; P319-S323 PolarHBondContact O-N 3.07Å; P319-L334 HydrophobicContact CG-CD2 4.18Å; P319-E335 HydrophobicContact CG-CG 4.02Å
320	M	98.4	Very high	98.3	Very high	86 Å²	86	45.3 Å²	45.3	42%	0.424	22%	0.222	S	C	.	.	H	α-helix	trans	-65.8	-49.8	175.1	-175.5	170.3	-65.8	0	0	111.9	Q316 L317 L318 Y322 S323 L324	Q316-M320 WeakPolarHBondContact O-CB 3.44Å; L317-M320 PolarHBondContact O-N 3.26Å; L318-M320 PolarHBondContact O-N 2.74Å; M320-Y322 VanDerWaalsContact C-N 3.34Å; M320-Y322 PolarHBondContact O-N 3.33Å; M320-S323 PolarHBondContact O-N 3.35Å; M320-L324 HydrophobicContact CG-CD1 3.94Å; M320-L324 WeakPolarHBondContact O-CG 2.9Å; M320-L324 PolarHBondContact O-N 2.89Å
321	A	98.7	Very high	98.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-44.5	177.9	0	0	0	0	0	111.7	L317 L318 S323 L324 L325	L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.48Å; L318-A321 PolarHBondContact O-N 2.93Å; A321-S323 PolarHBondContact O-N 3.27Å; A321-L324 PolarHBondContact O-N 3.35Å; A321-L325 VanDerWaalsContact O-CB 3.31Å; A321-L325 WeakPolarHBondContact O-CB 3.47Å; A321-L325 WeakPolarHBondContact O-CD1 3.23Å; A321-L325 VanDerWaalsContact O-CG 3.24Å; A321-L325 WeakPolarHBondContact O-CG 3.47Å; A321-L325 PolarHBondContact O-N 3.31Å
322	Y	98.8	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-42.4	175.3	-72	-49.9	0	0	0	112.2	P117 E118 Y296 L318 M320 L325 K326 R327 F330 L334	P117-Y322 WeakPolarHBondContact CD-OH 3.31Å; P117-Y322 HydrophobicContact CG-CE2 3.98Å; E118-Y322 VanDerWaalsContact CD-OH 3.31Å; E118-Y322 WeakPolarHBondContact OE1-CE1 3.39Å; E118-Y322 VanDerWaalsContact OE1-CZ 3.23Å; E118-Y322 PolarHBondContact OE1-OH 3.38Å; E118-Y322 PolarHBondContact OE2-OH 3.05Å; Y296-Y322 HydrophobicContact CD2-CE1 4.23Å; Y296-Y322 AromaticContact CE2-CE1 3.63Å; Y296-Y322 HydrophobicContact CE2-CE1 3.63Å; Y296-Y322 AromaticContact CE2-CZ 3.78Å; Y296-Y322 AromaticContact CZ-CE1 3.99Å; L318-Y322 HydrophobicContact CB-CD2 4.22Å; L318-Y322 HydrophobicContact CB-CE2 3.98Å; L318-Y322 HydrophobicContact CD2-CE2 4.48Å; L318-Y322 WeakPolarHBondContact O-CB 3.44Å; L318-Y322 WeakPolarHBondContact O-CD2 3.45Å; L318-Y322 PolarHBondContact O-N 2.95Å; M320-Y322 VanDerWaalsContact C-N 3.34Å; M320-Y322 PolarHBondContact O-N 3.33Å; Y322-L325 CarbonylContact O-C 3.49Å; Y322-L325 PolarHBondContact O-N 2.95Å; Y322-K326 PolarHBondContact O-N 2.97Å; Y322-R327 HydrophobicContact CD1-CB 3.95Å; Y322-R327 HydrophobicContact CG-CB 4.5Å; Y322-R327 WeakPolarHBondContact O-CA 3.46Å; Y322-R327 PolarHBondContact O-N 3.35Å; Y322-F330 HydrophobicContact CD1-CB 3.68Å; Y322-F330 HydrophobicContact CD1-CD2 4.05Å; Y322-F330 HydrophobicContact CD1-CG 4.41Å; Y322-F330 HydrophobicContact CD2-CB 3.94Å; Y322-F330 HydrophobicContact CE1-CB 3.69Å; Y322-F330 AromaticContact CE1-CD2 3.73Å; Y322-F330 HydrophobicContact CE1-CD2 3.73Å; Y322-F330 HydrophobicContact CE1-CG 4.2Å; Y322-F330 HydrophobicContact CE2-CB 3.95Å; Y322-F330 HydrophobicContact CG-CB 3.81Å; Y322-L334 HydrophobicContact CE2-CD2 4.44Å
323	S	98.6	Very high	98.4	Very high	65 Å²	65	41.8 Å²	41.8	46%	0.455	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-48.1	176.4	-179.9	0	0	0	0	112.2	P319 M320 A321 L325 K326 N328	P319-S323 WeakPolarHBondContact O-CB 3.47Å; P319-S323 PolarHBondContact O-N 3.07Å; M320-S323 PolarHBondContact O-N 3.35Å; A321-S323 PolarHBondContact O-N 3.27Å; S323-L325 VanDerWaalsContact C-N 3.27Å; S323-L325 PolarHBondContact O-N 3.17Å; S323-K326 WeakPolarHBondContact O-CA 3.34Å; S323-K326 PolarHBondContact O-N 3.08Å; S323-N328 WeakPolarHBondContact CA-OD1 3.5Å
324	L	98.4	Very high	98.4	Very high	64 Å²	64	41.1 Å²	41.1	34%	0.335	21%	0.205	S	C	.	.	H	α-helix	trans	-62.5	-34.7	177.6	-67.2	168.5	0	0	0	112.2	N287 Y292 M320 A321 K326	N287-L324 HydrophobicContact CB-CD1 4.14Å; Y292-L324 HydrophobicContact CD1-CB 3.67Å; Y292-L324 HydrophobicContact CD1-CD1 3.53Å; Y292-L324 HydrophobicContact CD1-CD2 4.42Å; Y292-L324 HydrophobicContact CD1-CG 4.05Å; Y292-L324 HydrophobicContact CD2-CB 3.97Å; Y292-L324 HydrophobicContact CE1-CB 3.87Å; Y292-L324 HydrophobicContact CE1-CD1 3.76Å; Y292-L324 HydrophobicContact CE1-CD2 3.89Å; Y292-L324 HydrophobicContact CE1-CG 4.04Å; Y292-L324 HydrophobicContact CE2-CB 4.19Å; Y292-L324 HydrophobicContact CG-CB 3.7Å; Y292-L324 HydrophobicContact CG-CD1 4.33Å; M320-L324 HydrophobicContact CG-CD1 3.94Å; M320-L324 WeakPolarHBondContact O-CG 2.9Å; M320-L324 PolarHBondContact O-N 2.89Å; A321-L324 PolarHBondContact O-N 3.35Å; L324-K326 VanDerWaalsContact C-N 3.26Å; L324-K326 PolarHBondContact O-N 3.4Å
325	L	98.4	Very high	98.4	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.6	173.9	-68.9	168.3	0	0	0	114	V234 Y292 Y296 A321 Y322 S323 R327	V234-L325 HydrophobicContact CB-CD2 4.01Å; V234-L325 HydrophobicContact CG1-CD1 3.9Å; V234-L325 HydrophobicContact CG1-CD2 3.95Å; Y292-L325 HydrophobicContact CD2-CD2 4.36Å; Y296-L325 HydrophobicContact CD1-CD1 3.84Å; Y296-L325 HydrophobicContact CE1-CD1 4.48Å; Y296-L325 HydrophobicContact CG-CD1 4.28Å; A321-L325 VanDerWaalsContact O-CB 3.31Å; A321-L325 WeakPolarHBondContact O-CB 3.47Å; A321-L325 WeakPolarHBondContact O-CD1 3.23Å; A321-L325 VanDerWaalsContact O-CG 3.24Å; A321-L325 WeakPolarHBondContact O-CG 3.47Å; A321-L325 PolarHBondContact O-N 3.31Å; Y322-L325 CarbonylContact O-C 3.49Å; Y322-L325 PolarHBondContact O-N 2.95Å; S323-L325 VanDerWaalsContact C-N 3.27Å; S323-L325 PolarHBondContact O-N 3.17Å; L325-R327 HydrophobicContact CB-CG 4.05Å
326	K	98.4	Very high	98.3	Very high	164 Å²	164	43.5 Å²	43.5	71%	0.713	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	39.4	-176.1	-53.5	-179.2	-179.8	178.9	0	113.9	Y322 S323 L324	Y322-K326 PolarHBondContact O-N 2.97Å; S323-K326 WeakPolarHBondContact O-CA 3.34Å; S323-K326 PolarHBondContact O-N 3.08Å; L324-K326 VanDerWaalsContact C-N 3.26Å; L324-K326 PolarHBondContact O-N 3.4Å
327	R	98.4	Very high	98.3	Very high	15 Å²	15	39.3 Å²	39.3	6%	0.057	20%	0.203	C	C	.	.			trans	-116.2	40.7	179.9	-55.1	-178.7	-176.4	168.6	-2.2	111.7	D138 P140 V233 Y322 L325 L329 F330	D138-R327 PolarHBondContact O-NE 2.81Å; D138-R327 PolarHBondContact O-NH1 2.87Å; D138-R327 VanDerWaalsContact O-NH1 3.14Å; P140-R327 HydrophobicContact CG-CB 4.19Å; V233-R327 PolarHBondContact O-NH1 2.86Å; V233-R327 VanDerWaalsContact O-NH1 3.14Å; V233-R327 PolarHBondContact O-NH2 3.47Å; Y322-R327 HydrophobicContact CD1-CB 3.95Å; Y322-R327 HydrophobicContact CG-CB 4.5Å; Y322-R327 WeakPolarHBondContact O-CA 3.46Å; Y322-R327 PolarHBondContact O-N 3.35Å; L325-R327 HydrophobicContact CB-CG 4.05Å; R327-L329 PolarHBondContact O-N 3.2Å; R327-F330 HydrophobicContact CB-CD2 4.1Å; R327-F330 WeakPolarHBondContact O-CB 3.47Å; R327-F330 PolarHBondContact O-N 2.69Å
328	N	98.1	Very high	98.2	Very high	90 Å²	90	39.4 Å²	39.4	48%	0.481	20%	0.203	S	C	.	.	H	α-helix	trans	-50	-40.4	-168.2	-63.5	-53	0	0	0	114.2	S323 F330 G331 E332	S323-N328 WeakPolarHBondContact CA-OD1 3.5Å; N328-F330 PolarHBondContact O-N 3.24Å; N328-G331 WeakPolarHBondContact O-CA 3.45Å; N328-G331 PolarHBondContact O-N 3.25Å; N328-E332 PolarHBondContact O-N 3.17Å; N328-E332 VanDerWaalsContact O-N 3.11Å
329	L	98.3	Very high	98	Very high	29 Å²	29	43.1 Å²	43.1	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-56.1	-36.8	177.9	-177.6	55.5	0	0	0	112.9	G51 F52 P140 R327 G331 E332 I333	G51-L329 WeakPolarHBondContact O-CD2 3.47Å; F52-L329 HydrophobicContact CD1-CD2 3.79Å; F52-L329 HydrophobicContact CE1-CD2 3.28Å; F52-L329 HydrophobicContact CE1-CG 4.02Å; F52-L329 HydrophobicContact CE2-CD2 4.45Å; F52-L329 HydrophobicContact CZ-CD2 3.65Å; F52-L329 HydrophobicContact CZ-CG 4.09Å; P140-L329 HydrophobicContact CB-CB 4.19Å; P140-L329 HydrophobicContact CB-CD2 4.27Å; R327-L329 PolarHBondContact O-N 3.2Å; L329-G331 VanDerWaalsContact C-N 3.31Å; L329-G331 PolarHBondContact O-N 2.76Å; L329-E332 PolarHBondContact O-N 2.87Å; L329-I333 HydrophobicContact CD1-CD1 4.41Å; L329-I333 HydrophobicContact CD1-CG1 4.39Å; L329-I333 HydrophobicContact CG-CD1 4.11Å; L329-I333 WeakPolarHBondContact O-CG1 3.3Å; L329-I333 PolarHBondContact O-N 3.1Å
330	F	98.8	Very high	97.6	Very high	1 Å²	1	46 Å²	46	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-66.5	-33.4	175.4	-70.5	-11.3	0	0	0	112.6	F52 P117 E118 R137 P140 Y322 R327 N328 I333 L334	F52-F330 HydrophobicContact CE1-CD1 4.33Å; F52-F330 AromaticContact CE1-CE1 3.74Å; F52-F330 HydrophobicContact CE1-CE1 3.74Å; F52-F330 HydrophobicContact CZ-CD1 4.26Å; F52-F330 AromaticContact CZ-CE1 3.82Å; F52-F330 HydrophobicContact CZ-CE1 3.82Å; P117-F330 HydrophobicContact CB-CB 3.61Å; P117-F330 HydrophobicContact CB-CD1 3.96Å; P117-F330 HydrophobicContact CB-CG 3.82Å; P117-F330 WeakPolarHBondContact CB-O 3.45Å; P117-F330 HydrophobicContact CG-CB 4.4Å; P117-F330 WeakPolarHBondContact CG-O 3.42Å; E118-F330 HydrophobicContact CG-CD2 4.36Å; E118-F330 HydrophobicContact CG-CE2 3.87Å; E118-F330 HydrophobicContact CG-CZ 4.36Å; R137-F330 HydrophobicContact CB-CZ 4.1Å; R137-F330 WeakPolarHBondContact O-CZ 3.47Å; P140-F330 HydrophobicContact CB-CD1 4.48Å; P140-F330 HydrophobicContact CB-CE1 4.18Å; P140-F330 HydrophobicContact CB-CZ 4.46Å; Y322-F330 HydrophobicContact CD1-CB 3.68Å; Y322-F330 HydrophobicContact CD1-CD2 4.05Å; Y322-F330 HydrophobicContact CD1-CG 4.41Å; Y322-F330 HydrophobicContact CD2-CB 3.94Å; Y322-F330 HydrophobicContact CE1-CB 3.69Å; Y322-F330 AromaticContact CE1-CD2 3.73Å; Y322-F330 HydrophobicContact CE1-CD2 3.73Å; Y322-F330 HydrophobicContact CE1-CG 4.2Å; Y322-F330 HydrophobicContact CE2-CB 3.95Å; Y322-F330 HydrophobicContact CG-CB 3.81Å; R327-F330 HydrophobicContact CB-CD2 4.1Å; R327-F330 WeakPolarHBondContact O-CB 3.47Å; R327-F330 PolarHBondContact O-N 2.69Å; N328-F330 PolarHBondContact O-N 3.24Å; F330-I333 HydrophobicContact CD1-CD1 4.29Å; F330-L334 WeakPolarHBondContact O-CB 3.27Å; F330-L334 PolarHBondContact O-N 3.42Å
331	G	98.4	Very high	97.3	Very high	5 Å²	5	43.3 Å²	43.3	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-47.6	171	0	0	0	0	0	112.1	N328 L329 I333 L334 E335	N328-G331 WeakPolarHBondContact O-CA 3.45Å; N328-G331 PolarHBondContact O-N 3.25Å; L329-G331 VanDerWaalsContact C-N 3.31Å; L329-G331 PolarHBondContact O-N 2.76Å; G331-I333 PolarHBondContact O-N 3.1Å; G331-L334 WeakPolarHBondContact O-CB 3.38Å; G331-L334 PolarHBondContact O-N 3.01Å; G331-E335 WeakPolarHBondContact O-CG 3.32Å; G331-E335 PolarHBondContact O-N 3.07Å
332	E	98.1	Very high	96.6	Very high	115 Å²	115	45.7 Å²	45.7	54%	0.537	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-42.7	178.5	-65.1	171.5	-161	0	0	112.3	N328 L329 L334 E335 S336	N328-E332 PolarHBondContact O-N 3.17Å; N328-E332 VanDerWaalsContact O-N 3.11Å; L329-E332 PolarHBondContact O-N 2.87Å; E332-L334 VanDerWaalsContact C-N 3.35Å; E332-E335 PolarHBondContact O-N 2.98Å; E332-S336 WeakPolarHBondContact O-CB 3.43Å; E332-S336 PolarHBondContact O-N 3.38Å; E332-S336 PolarHBondContact O-OG 2.89Å
333	I	98.4	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-46.6	174.9	-68.4	171.9	0	0	0	110.3	F52 H107 P117 L329 F330 G331 S336 H337	F52-I333 HydrophobicContact CE2-CD1 4.14Å; F52-I333 HydrophobicContact CZ-CD1 3.63Å; H107-I333 HydrophobicContact CB-CD1 4.39Å; H107-I333 HydrophobicContact CB-CG1 3.82Å; H107-I333 HydrophobicContact CB-CG2 4.32Å; H107-I333 VanDerWaalsContact ND1-CD1 3.3Å; H107-I333 WeakPolarHBondContact ND1-CD1 3.42Å; H107-I333 WeakPolarHBondContact ND1-CG1 3.49Å; P117-I333 HydrophobicContact CB-CB 4.28Å; P117-I333 HydrophobicContact CB-CG2 4.1Å; P117-I333 HydrophobicContact CG-CG2 4.46Å; L329-I333 HydrophobicContact CD1-CD1 4.41Å; L329-I333 HydrophobicContact CD1-CG1 4.39Å; L329-I333 HydrophobicContact CG-CD1 4.11Å; L329-I333 WeakPolarHBondContact O-CG1 3.3Å; L329-I333 PolarHBondContact O-N 3.1Å; F330-I333 HydrophobicContact CD1-CD1 4.29Å; G331-I333 PolarHBondContact O-N 3.1Å; I333-S336 PolarHBondContact O-N 3.4Å; I333-H337 VanDerWaalsContact O-CB 3.23Å; I333-H337 WeakPolarHBondContact O-CB 3.37Å; I333-H337 PolarHBondContact O-N 3.22Å
334	L	98.5	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-45.1	-179.9	178.9	74.5	0	0	0	111.9	P117 F303 V314 L318 P319 Y322 F330 G331 E332 S336 H337 L338	P117-L334 HydrophobicContact CG-CB 3.82Å; P117-L334 HydrophobicContact CG-CD1 4.31Å; F303-L334 HydrophobicContact CD2-CD1 3.92Å; F303-L334 HydrophobicContact CE2-CD1 4.07Å; V314-L334 HydrophobicContact CG1-CD1 4.34Å; V314-L334 HydrophobicContact CG1-CD2 4.24Å; L318-L334 HydrophobicContact CB-CD2 3.16Å; L318-L334 HydrophobicContact CD1-CD1 3.97Å; L318-L334 HydrophobicContact CD1-CD2 3.52Å; L318-L334 HydrophobicContact CD1-CG 4.4Å; L318-L334 HydrophobicContact CG-CD2 3.94Å; P319-L334 HydrophobicContact CG-CD2 4.18Å; Y322-L334 HydrophobicContact CE2-CD2 4.44Å; F330-L334 WeakPolarHBondContact O-CB 3.27Å; F330-L334 PolarHBondContact O-N 3.42Å; G331-L334 WeakPolarHBondContact O-CB 3.38Å; G331-L334 PolarHBondContact O-N 3.01Å; E332-L334 VanDerWaalsContact C-N 3.35Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-S336 PolarHBondContact O-N 3.15Å; L334-H337 PolarHBondContact O-N 3.04Å; L334-L338 HydrophobicContact CD1-CD1 3.93Å; L334-L338 HydrophobicContact CD1-CG 3.98Å; L334-L338 HydrophobicContact CD2-CD1 4.3Å; L334-L338 HydrophobicContact CG-CD1 3.86Å; L334-L338 HydrophobicContact CG-CG 4.2Å; L334-L338 WeakPolarHBondContact O-CB 3.39Å; L334-L338 WeakPolarHBondContact O-CG 3.37Å; L334-L338 PolarHBondContact O-N 3.4Å
335	E	97.8	Very high	94.3	Very high	94 Å²	94	55 Å²	55	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-43.4	-180	-74.8	-175.9	167.1	0	0	111.5	P319 G331 E332 S339	P319-E335 HydrophobicContact CG-CG 4.02Å; G331-E335 WeakPolarHBondContact O-CG 3.32Å; G331-E335 PolarHBondContact O-N 3.07Å; E332-E335 PolarHBondContact O-N 2.98Å; E335-S339 WeakPolarHBondContact O-CB 3.32Å; E335-S339 PolarHBondContact O-N 3.02Å; E335-S339 PolarHBondContact O-OG 3.48Å
336	S	96.7	Very high	94.1	Very high	40 Å²	40	54.8 Å²	54.8	28%	0.28	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-47.7	172.1	-60.6	0	0	0	0	110.7	N105 E332 I333 L334 S339 S340	N105-S336 PolarHBondContact ND2-OG 3.33Å; E332-S336 WeakPolarHBondContact O-CB 3.43Å; E332-S336 PolarHBondContact O-N 3.38Å; E332-S336 PolarHBondContact O-OG 2.89Å; I333-S336 PolarHBondContact O-N 3.4Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-S336 PolarHBondContact O-N 3.15Å; S336-S339 PolarHBondContact O-N 3.05Å; S336-S340 PolarHBondContact O-N 3.37Å
337	H	97.7	Very high	93.8	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-50.9	-177.4	-174	-164.5	0	0	0	111.2	L108 R111 Y112 D115 F303 I333 L334 S339 S340 R341	L108-H337 HydrophobicContact CD2-CB 3.86Å; R111-H337 VanDerWaalsContact CD-CG 3.49Å; R111-H337 WeakPolarHBondContact CD-ND1 3.41Å; Y112-H337 PolarHBondContact O-CE1 3.34Å; Y112-H337 VanDerWaalsContact O-CE1 3.3Å; Y112-H337 PolarHBondContact O-NE2 3.47Å; D115-H337 PolarHBondContact O-CE1 3.06Å; F303-H337 AromaticContact CE2-ND1 3.74Å; F303-H337 AromaticContact CZ-CE1 3.72Å; F303-H337 AromaticContact CZ-ND1 3.74Å; I333-H337 VanDerWaalsContact O-CB 3.23Å; I333-H337 WeakPolarHBondContact O-CB 3.37Å; I333-H337 PolarHBondContact O-N 3.22Å; L334-H337 PolarHBondContact O-N 3.04Å; H337-S339 PolarHBondContact O-N 2.63Å; H337-S340 CarbonylContact O-C 3.4Å; H337-S340 VanDerWaalsContact O-C 3.3Å; H337-S340 PolarHBondContact O-N 3.13Å; H337-S340 VanDerWaalsContact O-N 3.12Å; H337-R341 WeakPolarHBondContact O-CA 3.39Å; H337-R341 WeakPolarHBondContact O-CB 3.49Å; H337-R341 PolarHBondContact O-N 2.82Å
338	L	96.5	Very high	93.4	Very high	10 Å²	10	50 Å²	50	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-22	179.9	-69.9	177.7	0	0	0	113.6	F303 V314 K315 L334	F303-L338 HydrophobicContact CD2-CD2 4.12Å; F303-L338 HydrophobicContact CE2-CD2 4.32Å; V314-L338 HydrophobicContact CB-CD1 4.09Å; V314-L338 HydrophobicContact CG1-CD1 3.69Å; K315-L338 VanDerWaalsContact CE-CB 3.5Å; K315-L338 HydrophobicContact CG-CB 4.44Å; K315-L338 HydrophobicContact CG-CD1 3.55Å; L334-L338 HydrophobicContact CD1-CD1 3.93Å; L334-L338 HydrophobicContact CD1-CG 3.98Å; L334-L338 HydrophobicContact CD2-CD1 4.3Å; L334-L338 HydrophobicContact CG-CD1 3.86Å; L334-L338 HydrophobicContact CG-CG 4.2Å; L334-L338 WeakPolarHBondContact O-CB 3.39Å; L334-L338 WeakPolarHBondContact O-CG 3.37Å; L334-L338 PolarHBondContact O-N 3.4Å
339	S	94.1	Very high	92.9	Very high	78 Å²	78	46.2 Å²	46.2	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-82.6	-19.8	177.5	-55.5	0	0	0	0	112.8	K315 E335 S336 H337	K315-S339 PolarHBondContact NZ-OG 3.33Å; E335-S339 WeakPolarHBondContact O-CB 3.32Å; E335-S339 PolarHBondContact O-N 3.02Å; E335-S339 PolarHBondContact O-OG 3.48Å; S336-S339 PolarHBondContact O-N 3.05Å; H337-S339 PolarHBondContact O-N 2.63Å
340	S	90.6	Very high	92	Very high	81 Å²	81	47.6 Å²	47.6	57%	0.566	27%	0.266	S	S	*	.	S	Bend	trans	-136.9	31.9	-179.6	-55.1	0	0	0	0	112.1	S336 H337 S342	S336-S340 PolarHBondContact O-N 3.37Å; H337-S340 CarbonylContact O-C 3.4Å; H337-S340 VanDerWaalsContact O-C 3.3Å; H337-S340 PolarHBondContact O-N 3.13Å; H337-S340 VanDerWaalsContact O-N 3.12Å; S340-S342 PolarHBondContact O-N 2.98Å
341	R	91.6	Very high	90.1	Very high	31 Å²	31	48.7 Å²	48.7	12%	0.117	28%	0.275	C	S	.	.			trans	-70.1	105.5	-174	-164.9	170.5	-173.2	-167.9	3.9	109.3	F113 F303 H337	F113-R341 HydrophobicContact CD2-CG 3.69Å; F113-R341 HydrophobicContact CE2-CG 3.76Å; F113-R341 HydrophobicContact CG-CG 4.4Å; F113-R341 PolarHBondContact O-NE 3.01Å; F113-R341 PolarHBondContact O-NH2 2.97Å; F303-R341 VanDerWaalsContact CE2-NH2 3.3Å; F303-R341 VanDerWaalsContact CZ-NH2 3.27Å; F303-R341 PolarHBondContact O-NH1 3.13Å; F303-R341 PolarHBondContact O-NH2 2.9Å; H337-R341 WeakPolarHBondContact O-CA 3.39Å; H337-R341 WeakPolarHBondContact O-CB 3.49Å; H337-R341 PolarHBondContact O-N 2.82Å
342	S	83.6	Confident	87.7	Confident	50 Å²	50	60 Å²	60	35%	0.35	33%	0.327	S	S	.	.			trans	-124.2	153.6	-172.9	-178.9	0	0	0	0	111.2	S340 D344	S340-S342 PolarHBondContact O-N 2.98Å; S342-D344 WeakPolarHBondContact CB-O 3.47Å; S342-D344 PolarHBondContact OG-N 3.23Å; S342-D344 PolarHBondContact OG-O 2.95Å
343	H	83.2	Confident	87.1	Confident	83 Å²	83	57.3 Å²	57.3	38%	0.384	32%	0.316	S	S	.	.	S	Bend	trans	-87.9	-17.8	167.1	-74.1	-76.2	0	0	0	112.6	F113 Q130	F113-H343 AromaticContact CD1-CE1 3.85Å; F113-H343 AromaticContact CD2-CD2 3.83Å; F113-H343 AromaticContact CD2-CE1 3.46Å; F113-H343 VanDerWaalsContact CD2-CE1 3.46Å; F113-H343 WeakPolarHBondContact CD2-CE1 3.4Å; F113-H343 AromaticContact CD2-NE2 3.34Å; F113-H343 VanDerWaalsContact CD2-NE2 3.34Å; F113-H343 WeakPolarHBondContact CD2-NE2 3.3Å; F113-H343 AromaticContact CE2-NE2 3.5Å; F113-H343 AromaticContact CG-CE1 3.36Å; F113-H343 WeakPolarHBondContact CG-CE1 3.33Å; F113-H343 AromaticContact CG-ND1 3.94Å; F113-H343 AromaticContact CG-NE2 3.73Å; Q130-H343 PolarHBondContact NE2-O 3.08Å
344	D	83.5	Confident	86.5	Confident	107 Å²	107	60.3 Å²	60.3	57%	0.572	33%	0.333	S	S	*	.	S	Bend	trans	-121.8	163	-172.8	-56.4	-48.9	0	0	0	111.1	S342 L346	S342-D344 WeakPolarHBondContact CB-O 3.47Å; S342-D344 PolarHBondContact OG-N 3.23Å; S342-D344 PolarHBondContact OG-O 2.95Å; D344-L346 PolarHBondContact O-N 3.36Å
345	N	82.4	Confident	85.9	Confident	135 Å²	135	63.6 Å²	63.6	72%	0.722	35%	0.351	S	S	*	.			trans	56	47.1	173.9	-56.2	-34.5	0	0	0	114.5	D347	N345-D347 PolarHBondContact O-N 3.27Å
346	L	92.3	Very high	85.2	Confident	18 Å²	18	61.8 Å²	61.8	9%	0.094	35%	0.346	C	S	.	.			trans	-71.5	-18.6	-179.1	-51.2	-176.2	0	0	0	113.3	W110 R111 Y112 D344 Q348	W110-L346 HydrophobicContact CE3-CB 4.07Å; W110-L346 PolarHBondContact N-O 2.97Å; R111-L346 WeakPolarHBondContact O-CD2 3.34Å; Y112-L346 HydrophobicContact CD1-CD1 3.39Å; Y112-L346 HydrophobicContact CD2-CD1 3.92Å; Y112-L346 HydrophobicContact CE1-CD1 3.46Å; Y112-L346 VanDerWaalsContact CE1-CD1 3.46Å; Y112-L346 HydrophobicContact CE2-CD1 3.98Å; Y112-L346 HydrophobicContact CG-CD1 3.63Å; D344-L346 PolarHBondContact O-N 3.36Å; L346-Q348 PolarHBondContact O-N 3.24Å
347	D	92.4	Very high	84.5	Confident	38 Å²	38	63.2 Å²	63.2	20%	0.203	35%	0.35	C	S	.	.			trans	-76.2	90.8	177.3	-176.9	-5.3	0	0	0	111.3	H109 W110 N345 L349 S350 A351	H109-D347 IonicContact CE1-OD1 3.06Å; H109-D347 PolarHBondContact CE1-OD1 3.42Å; H109-D347 IonicContact ND1-OD1 3.69Å; H109-D347 PolarHBondContact ND1-OD1 2.92Å; W110-D347 HydrophobicContact CH2-CB 4.02Å; W110-D347 HydrophobicContact CZ2-CB 3.72Å; N345-D347 PolarHBondContact O-N 3.27Å; D347-L349 PolarHBondContact O-N 2.77Å; D347-L349 WeakPolarHBondContact OD1-CB 3.47Å; D347-L349 PolarHBondContact OD1-N 3.22Å; D347-S350 PolarHBondContact O-N 2.75Å; D347-S350 PolarHBondContact OD1-N 2.64Å; D347-S350 VanDerWaalsContact OD2-CB 3.3Å; D347-S350 WeakPolarHBondContact OD2-CB 3.43Å; D347-S350 PolarHBondContact OD2-OG 2.71Å; D347-A351 WeakPolarHBondContact O-CB 3.31Å; D347-A351 PolarHBondContact O-N 3.1Å
348	Q	90.3	Very high	83.6	Confident	39 Å²	39	67.1 Å²	67.1	18%	0.182	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.1	176.2	-63.5	-66.8	-58.6	0	0	115.2	N101 P104 L108 H109 L346	N101-Q348 WeakPolarHBondContact CB-O 3.38Å; N101-Q348 PolarHBondContact ND2-O 3.14Å; N101-Q348 VanDerWaalsContact ND2-O 3.17Å; P104-Q348 HydrophobicContact CB-CB 4.42Å; L108-Q348 HydrophobicContact CB-CG 4.01Å; H109-Q348 HydrophobicContact CB-CB 3.92Å; H109-Q348 HydrophobicContact CB-CG 4.03Å; H109-Q348 PolarHBondContact ND1-N 3.33Å; L346-Q348 PolarHBondContact O-N 3.24Å
349	L	87.9	Confident	82.6	Confident	12 Å²	12	71.1 Å²	71.1	6%	0.063	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-29.2	-179.2	-60.9	-179.8	0	0	0	112.1	D90 I91 A95 P99 K100 P104 F106 D347	D90-L349 HydrophobicContact CB-CD1 4.06Å; I91-L349 HydrophobicContact CD1-CD1 4.38Å; A95-L349 HydrophobicContact CB-CD1 3.84Å; P99-L349 HydrophobicContact CB-CD2 4.26Å; K100-L349 PolarHBondContact N-O 2.65Å; P104-L349 HydrophobicContact CB-CD2 3.83Å; P104-L349 HydrophobicContact CG-CD2 4.05Å; F106-L349 HydrophobicContact CD1-CD2 4.45Å; F106-L349 HydrophobicContact CE1-CD2 3.74Å; F106-L349 HydrophobicContact CZ-CD2 4.34Å; D347-L349 PolarHBondContact O-N 2.77Å; D347-L349 WeakPolarHBondContact OD1-CB 3.47Å; D347-L349 PolarHBondContact OD1-N 3.22Å
350	S	79.6	Confident	81.8	Confident	57 Å²	57	70.6 Å²	70.6	40%	0.399	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-14.2	178.6	73.6	0	0	0	0	114.6	D347	D347-S350 PolarHBondContact O-N 2.75Å; D347-S350 PolarHBondContact OD1-N 2.64Å; D347-S350 VanDerWaalsContact OD2-CB 3.3Å; D347-S350 WeakPolarHBondContact OD2-CB 3.43Å; D347-S350 PolarHBondContact OD2-OG 2.71Å
351	A	59.1	Low	81	Confident	24 Å²	24	69.8 Å²	69.8	20%	0.198	37%	0.368	C	S	.	.			trans	-63.8	138.2	175.6	0	0	0	0	0	111.9	N101 D347	N101-A351 WeakPolarHBondContact CB-O 3.44Å; D347-A351 WeakPolarHBondContact O-CB 3.31Å; D347-A351 PolarHBondContact O-N 3.1Å
352	Q	46.7	Very low	80.1	Confident	243 Å²	243	73.3 Å²	73.3	100%	1.136	39%	0.391	S	S	*	.			trans	-100.8	0	168.5	-92.7	-175.8	-19.1	0	0	110.3

Retrieved 352 of 352 residues in 109.6 ms (Link to these results)

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