A0A096NKY1_PAPAN Loading...

Hydroxyacylglutathione hydrolase, mitochondrial

Thiolesterase that catalyzes the hydrolysis of S-D-lactoyl-glutathione to form glutathione and D-lactic acid.

AlphaFold DB , UniProt , Accession A0A096NKY1, Species PAPAN (Papio anubis, Olive baboon), Gene HAGH, Length 309 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	37.3	Very low	33.5	Very low	239 Å²	239	163.1 Å²	163.1	100%	1.177	87%	0.865	S	S	*	*				0	137.8	0	-151.8	170.8	-177.9	0	0	106.8
2	V	34.4	Very low	33.3	Very low	139 Å²	139	158.6 Å²	158.6	84%	0.842	86%	0.856	S	S	*	*			trans	79.4	103.5	-170.1	-164.1	0	0	0	0	112.9
3	L	35.4	Very low	33.3	Very low	174 Å²	174	159.7 Å²	159.7	91%	0.911	86%	0.86	S	S	*	*			cis	76.7	120.6	41.9	-88	161.9	0	0	0	117.2
4	G	31.1	Very low	33.1	Very low	68 Å²	68	155.9 Å²	155.9	70%	0.701	86%	0.861	S	S	*	*			trans	111.1	110.7	148.8	0	0	0	0	0	115.3
5	R	38	Very low	33.2	Very low	250 Å²	250	151.7 Å²	151.7	94%	0.943	86%	0.855	S	S	*	*				92.5	132	58.7	-90.8	-165.9	174.7	-153	0.7	114.4
6	G	30.1	Very low	33.2	Very low	71 Å²	71	153.3 Å²	153.3	73%	0.732	86%	0.86	S	S	*	*			trans	140.9	87.6	159.1	0	0	0	0	0	112.7
7	L	34.4	Very low	32.9	Very low	146 Å²	146	148.6 Å²	148.6	76%	0.764	85%	0.854	S	S	*	*				64.2	129.8	76.7	-94	114.1	0	0	0	118.3
8	L	33.4	Very low	32.8	Very low	153 Å²	153	145.8 Å²	145.8	80%	0.801	85%	0.852	S	S	*	*			trans	95	114.3	144	-77.6	145.4	0	0	0	121.4
9	G	29.5	Very low	32.6	Very low	84 Å²	84	143.3 Å²	143.3	87%	0.866	85%	0.849	S	S	*	*			trans	-168.1	90.8	153	0	0	0	0	0	111.2
10	R	33.7	Very low	32.6	Very low	231 Å²	231	142.6 Å²	142.6	87%	0.872	85%	0.85	S	S	*	*			trans	-85	152.8	175.5	-94	-178.7	168.7	-168.6	-2.5	111.7
11	R	31.5	Very low	32.6	Very low	239 Å²	239	140.4 Å²	140.4	90%	0.902	85%	0.848	S	S	*	*			trans	144.2	141.1	141.2	-82.2	173.1	-178.8	-149.9	1	108.6
12	S	30.8	Very low	32.6	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	84%	0.837	S	S	*	*			cis	-167	157.9	-10.6	-89.7	0	0	0	0	106.1
13	L	33.7	Very low	32.6	Very low	173 Å²	173	145.4 Å²	145.4	91%	0.906	84%	0.839	S	S	*	*			trans	-58.4	146.9	177.1	-79.1	79.2	0	0	0	113.8
14	A	30.8	Very low	32.6	Very low	106 Å²	106	141.1 Å²	141.1	88%	0.876	84%	0.837	S	S	*	*			trans	-150.1	118.7	135.1	0	0	0	0	0	109.5
15	A	34	Very low	32.9	Very low	93 Å²	93	146.2 Å²	146.2	77%	0.769	85%	0.847	S	S	*	*			trans	-94.3	138.7	168.9	0	0	0	0	0	108.8
16	L	33.1	Very low	32.6	Very low	178 Å²	178	137.5 Å²	137.5	93%	0.932	83%	0.834	S	S	*	*			trans	-156	117.2	156.8	-101.4	150.8	0	0	0	106.7
17	G	27.8	Very low	32.9	Very low	74 Å²	74	140.6 Å²	140.6	76%	0.763	84%	0.842	S	S	*	*			trans	-85.6	161.7	177.8	0	0	0	0	0	112.7
18	A	30.8	Very low	33	Very low	98 Å²	98	138 Å²	138	81%	0.81	84%	0.841	S	S	*	*			trans	-176.4	117.9	136.5	0	0	0	0	0	110.6
19	A	30.4	Very low	33.2	Very low	97 Å²	97	138.5 Å²	138.5	80%	0.802	84%	0.844	S	S	*	*			trans	42.7	120.5	134.2	0	0	0	0	0	122.1
20	C	31.7	Very low	33.4	Very low	129 Å²	129	142.5 Å²	142.5	87%	0.872	85%	0.845	S	S	*	*				73.1	105.5	125.3	-147	0	0	0	0	119.8
21	A	32.9	Very low	33.4	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	84%	0.837	S	S	*	*			trans	-160.5	105.4	130.3	0	0	0	0	0	110.1
22	R	38.1	Very low	33.5	Very low	247 Å²	247	128.6 Å²	128.6	93%	0.932	83%	0.825	S	S	*	*			trans	-71.1	121.3	162.1	-75.7	178.6	172.5	-175	-2.4	108.3
23	R	34.4	Very low	33.7	Very low	236 Å²	236	130.6 Å²	130.6	89%	0.891	83%	0.827	S	S	*	*			trans	-136.9	120.1	151.5	-79.6	-169	175.1	-168.1	-1.7	108.3
24	G	35.3	Very low	33.8	Very low	84 Å²	84	127.9 Å²	127.9	87%	0.866	81%	0.812	S	S	*	*			trans	-67	138	-175.9	0	0	0	0	0	112.2
25	L	36.1	Very low	34	Very low	175 Å²	175	129.9 Å²	129.9	92%	0.916	80%	0.803	S	S	*	*			trans	-113.3	116.5	158.9	-88.1	129.7	0	0	0	106.2
26	G	32.3	Very low	34.2	Very low	66 Å²	66	132.2 Å²	132.2	68%	0.68	80%	0.798	S	S	*	*			trans	-64.4	155.9	178.5	0	0	0	0	0	111.9	A28	G26-A28 PolarHBondContact O-N 3.18Å
27	P	36.3	Very low	34.7	Very low	137 Å²	137	127.9 Å²	127.9	89%	0.89	78%	0.779	S	S	*	*			trans	-72.7	114	-177.1	28.4	-30.8	0	0	0	110.1
28	A	36.5	Very low	35.9	Very low	90 Å²	90	130.3 Å²	130.3	74%	0.744	77%	0.774	S	S	*	*			trans	-71.9	123.8	168.7	0	0	0	0	0	110	G26	G26-A28 PolarHBondContact O-N 3.18Å
29	L	37.4	Very low	37.6	Very low	165 Å²	165	131.4 Å²	131.4	86%	0.864	77%	0.766	S	S	*	*			trans	31.9	87.7	155.5	-77	93.4	0	0	0	117	G31	L29-G31 PolarHBondContact O-N 3.4Å
30	L	33.8	Very low	40.3	Very low	168 Å²	168	128.8 Å²	128.8	88%	0.88	74%	0.735	S	S	*	*			trans	-77.5	104	143.9	-146.8	79.7	0	0	0	106.6	V32	L30-V32 PolarHBondContact O-N 2.99Å
31	G	33.3	Very low	43.1	Very low	69 Å²	69	128.1 Å²	128.1	71%	0.711	72%	0.718	S	S	*	*			trans	-60.4	104.3	174.1	0	0	0	0	0	109.8	L29 L33	L29-G31 PolarHBondContact O-N 3.4Å; G31-L33 PolarHBondContact O-N 2.98Å
32	V	33.7	Very low	45.8	Very low	108 Å²	108	127.2 Å²	127.2	66%	0.655	70%	0.699	S	S	*	*			trans	-76.4	104.6	171	-170.8	0	0	0	0	106.7	L30 L34	L30-V32 PolarHBondContact O-N 2.99Å; V32-L34 HydrophobicContact CB-CG 4.33Å; V32-L34 HydrophobicContact CG1-CD2 3.78Å; V32-L34 HydrophobicContact CG1-CG 3.62Å; V32-L34 PolarHBondContact O-N 3.22Å
33	L	35.4	Very low	48.4	Very low	151 Å²	151	118 Å²	118	79%	0.791	67%	0.668	S	S	*	*			trans	-64.4	86.4	153.5	-106.6	92.2	0	0	0	106.6	G31 H35	G31-L33 PolarHBondContact O-N 2.98Å; L33-H35 VanDerWaalsContact C-N 3.33Å; L33-H35 PolarHBondContact O-N 2.9Å
34	L	36.2	Very low	51.2	Low	116 Å²	116	109.7 Å²	109.7	61%	0.607	64%	0.644	S	S	*	*			trans	-66.4	99.4	165.9	-76.4	165.6	0	0	0	106.5	V32 H36	V32-L34 HydrophobicContact CB-CG 4.33Å; V32-L34 HydrophobicContact CG1-CD2 3.78Å; V32-L34 HydrophobicContact CG1-CG 3.62Å; V32-L34 PolarHBondContact O-N 3.22Å; L34-H36 PolarHBondContact O-N 2.92Å
35	H	35.7	Very low	53.9	Low	148 Å²	148	107 Å²	107	69%	0.685	61%	0.611	S	S	*	*			trans	-59.9	97.6	156.1	-82	54.8	0	0	0	106.3	L33 T37	L33-H35 VanDerWaalsContact C-N 3.33Å; L33-H35 PolarHBondContact O-N 2.9Å; H35-T37 PolarHBondContact O-N 2.9Å
36	H	38	Very low	56.5	Low	143 Å²	143	103.5 Å²	103.5	66%	0.662	59%	0.593	S	S	*	*			trans	-68.5	19.7	-179.4	-90.6	-73.1	0	0	0	113.7	L34 D38	L34-H36 PolarHBondContact O-N 2.92Å; H36-D38 PolarHBondContact O-N 2.98Å
37	T	43	Very low	59	Low	86 Å²	86	101 Å²	101	53%	0.528	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	-6.7	-159	45.6	0	0	0	0	116.7	H35	H35-T37 PolarHBondContact O-N 2.9Å
38	D	52.5	Low	61.4	Low	125 Å²	125	96.3 Å²	96.3	67%	0.668	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.1	50	-176.1	-68.2	-56.1	0	0	0	114.4	H36 K84	H36-D38 PolarHBondContact O-N 2.98Å; D38-K84 IonicContact OD1-NZ 3.74Å
39	L	66.9	Low	63.8	Low	122 Å²	122	93.8 Å²	93.8	64%	0.639	52%	0.515	S	S	*	.	S	Bend	trans	-82.7	-24.9	168.6	-77.8	166.3	0	0	0	113.2	G256	L39-G256 VanDerWaalsContact O-CA 3.31Å; L39-G256 WeakPolarHBondContact O-CA 3.43Å
40	R	87.4	Confident	66.6	Low	41 Å²	41	86.1 Å²	86.1	16%	0.155	48%	0.475	C	S	.	.	S	Bend	trans	-92.7	127	-178.8	-67.2	-179.3	-67.6	146.4	6.9	110.1	P56 A57 T59 D60 N61 G256	R40-P56 HydrophobicContact CB-CB 3.8Å; R40-P56 HydrophobicContact CB-CG 3.72Å; R40-A57 PolarHBondContact NH2-O 3.47Å; R40-T59 VanDerWaalsContact CZ-O 3.3Å; R40-T59 PolarHBondContact NE-O 3.02Å; R40-T59 PolarHBondContact NH2-O 3.1Å; R40-D60 VanDerWaalsContact CZ-CA 3.41Å; R40-D60 PolarHBondContact NH1-O 3.01Å; R40-N61 PolarHBondContact NH1-O 3.16Å; R40-N61 VanDerWaalsContact NH1-O 3.14Å; R40-N61 PolarHBondContact NH2-O 3.11Å; R40-G256 WeakPolarHBondContact CA-O 3.42Å
41	K	89.8	Confident	69.6	Low	116 Å²	116	80.3 Å²	80.3	50%	0.504	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-83	151.5	176.5	-61.7	173.8	-167.5	158	0	110.2	I255 G256 P258	K41-I255 WeakPolarHBondContact CE-O 3.44Å; K41-I255 PolarHBondContact NZ-O 2.93Å; K41-G256 PolarHBondContact N-O 3.33Å; K41-P258 WeakPolarHBondContact O-CD 3.47Å; K41-P258 WeakPolarHBondContact O-CG 3.45Å
42	N	89.7	Confident	72.7	Confident	78 Å²	78	77 Å²	77	42%	0.417	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-63.6	150.9	162.7	-66.1	12.9	0	0	0	110.1	E53 V54 L55 P56	N42-E53 VanDerWaalsContact CB-OE1 3.31Å; N42-E53 WeakPolarHBondContact CB-OE1 3.48Å; N42-E53 PolarHBondContact ND2-OE1 3.44Å; N42-E53 VanDerWaalsContact ND2-OE1 3.09Å; N42-V54 VanDerWaalsContact CA-O 3.28Å; N42-V54 WeakPolarHBondContact CA-O 3.39Å; N42-V54 WeakPolarHBondContact CB-O 3.36Å; N42-L55 VanDerWaalsContact ND2-CD2 3.29Å; N42-L55 WeakPolarHBondContact ND2-CD2 3.29Å; N42-P56 WeakPolarHBondContact OD1-CD 3.29Å
43	L	92.6	Very high	75.8	Confident	53 Å²	53	72 Å²	72	28%	0.277	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.8	175.2	175.7	66	0	0	0	109.1	V45 E53 V54 P258	L43-V45 HydrophobicContact CD2-CG2 4.2Å; L43-V45 HydrophobicContact CG-CG2 4.18Å; L43-E53 VanDerWaalsContact C-OE2 3.28Å; L43-V54 HydrophobicContact CB-CB 4.21Å; L43-V54 HydrophobicContact CB-CG2 4.31Å; L43-V54 PolarHBondContact N-O 2.87Å; L43-V54 PolarHBondContact O-N 3.2Å; L43-P258 HydrophobicContact CB-CG 4.08Å
44	T	93.4	Very high	78.8	Confident	62 Å²	62	64.8 Å²	64.8	38%	0.38	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.5	168.4	-44.7	0	0	0	0	108.5	E53	T44-E53 WeakPolarHBondContact CA-OE2 3.28Å; T44-E53 VanDerWaalsContact CB-OE2 3.26Å; T44-E53 WeakPolarHBondContact CB-OE2 3.33Å; T44-E53 PolarHBondContact N-OE2 2.94Å; T44-E53 PolarHBondContact OG1-OE2 3.21Å
45	V	92.4	Very high	81.8	Confident	29 Å²	29	59.4 Å²	59.4	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.4	167.1	-171.3	0	0	0	0	107.6	L43 E47 K51 V52 Y219 P261	L43-V45 HydrophobicContact CD2-CG2 4.2Å; L43-V45 HydrophobicContact CG-CG2 4.18Å; V45-E47 HydrophobicContact CG1-CG 3.86Å; V45-K51 WeakPolarHBondContact O-CA 3.44Å; V45-V52 PolarHBondContact N-O 3.32Å; V45-V52 PolarHBondContact O-N 3.05Å; V45-Y219 WeakPolarHBondContact CB-OH 3.5Å; V45-Y219 HydrophobicContact CG2-CE1 4.38Å; V45-P261 HydrophobicContact CG2-CG 4.28Å
46	D	89.3	Confident	84.8	Confident	100 Å²	100	52.8 Å²	52.8	54%	0.535	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	110.8	173.1	-163	-25.7	0	0	0	108.5	G48 K51	D46-G48 WeakPolarHBondContact OD1-CA 3.29Å; D46-G48 PolarHBondContact OD1-N 3.42Å; D46-K51 WeakPolarHBondContact OD2-CE 3.43Å; D46-K51 IonicContact OD2-NZ 2.7Å
47	E	85.4	Confident	87.6	Confident	15 Å²	15	46 Å²	46	7%	0.07	25%	0.251	C	S	.	.			trans	-102.5	14.8	177.2	-59.8	-172.6	175.2	0	0	110.9	V45 M50 E175 R217 Y219	V45-E47 HydrophobicContact CG1-CG 3.86Å; E47-M50 CarbonylContact C-O 3.51Å; E47-M50 WeakPolarHBondContact CA-O 3.49Å; E47-M50 HydrophobicContact CB-CE 4.43Å; E47-M50 WeakPolarHBondContact CB-O 3.41Å; E47-M50 PolarHBondContact N-O 3.01Å; E47-M50 WeakPolarHBondContact OE2-CE 3.46Å; E47-E175 WeakPolarHBondContact O-CB 3.14Å; E47-E175 WeakPolarHBondContact O-CG 3.45Å; E47-R217 VanDerWaalsContact OE1-CG 3.26Å; E47-R217 WeakPolarHBondContact OE1-CG 3.41Å; E47-R217 IonicContact OE1-NE 3.4Å; E47-Y219 PolarHBondContact OE1-OH 3.32Å
48	G	86.5	Confident	90.2	Very high	38 Å²	38	44.3 Å²	44.3	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	110.7	-89.2	176.6	0	0	0	0	0	111.5	D46	D46-G48 WeakPolarHBondContact OD1-CA 3.29Å; D46-G48 PolarHBondContact OD1-N 3.42Å
49	T	86.4	Confident	92.3	Very high	37 Å²	37	44.1 Å²	44.1	23%	0.227	24%	0.242	C	C	.	.	S	Bend	trans	-111.3	-4.3	178	55.7	0	0	0	0	112.3	D69 K170 E175	T49-D69 WeakPolarHBondContact O-CB 3.32Å; T49-D69 PolarHBondContact O-N 3.04Å; T49-K170 VanDerWaalsContact CG2-NZ 3.34Å; T49-K170 WeakPolarHBondContact OG1-CD 3.43Å; T49-K170 WeakPolarHBondContact OG1-CE 3.33Å; T49-K170 PolarHBondContact OG1-NZ 3.34Å; T49-E175 WeakPolarHBondContact CB-OE1 3.49Å; T49-E175 WeakPolarHBondContact CG2-OE1 3.18Å; T49-E175 PolarHBondContact N-OE1 3.24Å; T49-E175 PolarHBondContact N-OE2 3.04Å; T49-E175 PolarHBondContact OG1-OE1 2.85Å; T49-E175 PolarHBondContact OG1-OE2 3.42Å
50	M	96.3	Very high	93.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.1	156	-175.3	174	68.1	0	0	109.7	E47 V52 V66 I67 L149 V168 E175 A178	E47-M50 CarbonylContact C-O 3.51Å; E47-M50 WeakPolarHBondContact CA-O 3.49Å; E47-M50 HydrophobicContact CB-CE 4.43Å; E47-M50 WeakPolarHBondContact CB-O 3.41Å; E47-M50 PolarHBondContact N-O 3.01Å; E47-M50 WeakPolarHBondContact OE2-CE 3.46Å; M50-V52 HydrophobicContact CE-CG2 4.48Å; M50-V66 HydrophobicContact CG-CG1 4.25Å; M50-V66 HydrophobicContact SD-CG1 4.13Å; M50-I67 WeakPolarHBondContact CA-O 3.36Å; M50-L149 HydrophobicContact CB-CD1 4.23Å; M50-L149 HydrophobicContact CB-CD2 3.95Å; M50-L149 HydrophobicContact CG-CD1 3.77Å; M50-L149 HydrophobicContact CG-CD2 4.3Å; M50-L149 HydrophobicContact SD-CD1 4.12Å; M50-L149 HydrophobicContact SD-CD2 4.48Å; M50-V168 HydrophobicContact SD-CB 4.08Å; M50-V168 HydrophobicContact SD-CG1 3.54Å; M50-V168 VanDerWaalsContact SD-CG1 3.54Å; M50-E175 PolarHBondContact N-OE2 3.4Å; M50-A178 HydrophobicContact CE-CB 3.61Å
51	K	98	Very high	94.3	Very high	47 Å²	47	38.8 Å²	38.8	20%	0.204	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.3	168.8	-74.3	175.7	173.5	124	0	110.6	V45 D46 I67 D69	V45-K51 WeakPolarHBondContact O-CA 3.44Å; D46-K51 WeakPolarHBondContact OD2-CE 3.43Å; D46-K51 IonicContact OD2-NZ 2.7Å; K51-I67 HydrophobicContact CB-CB 4.13Å; K51-I67 PolarHBondContact N-O 2.8Å; K51-I67 PolarHBondContact O-N 3.26Å; K51-D69 VanDerWaalsContact CD-OD2 3.32Å; K51-D69 WeakPolarHBondContact CD-OD2 3.5Å; K51-D69 WeakPolarHBondContact CE-OD2 3.31Å; K51-D69 WeakPolarHBondContact CG-OD2 3.48Å; K51-D69 VanDerWaalsContact NZ-CG 3.32Å; K51-D69 IonicContact NZ-OD1 3.73Å; K51-D69 PolarHBondContact NZ-OD1 3.04Å; K51-D69 IonicContact NZ-OD2 3.57Å; K51-D69 PolarHBondContact NZ-OD2 3.09Å
52	V	98.6	Very high	94.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.5	174.5	-174.4	0	0	0	0	109	V45 M50 Y64 F180 Y219	V45-V52 PolarHBondContact N-O 3.32Å; V45-V52 PolarHBondContact O-N 3.05Å; M50-V52 HydrophobicContact CE-CG2 4.48Å; V52-Y64 HydrophobicContact CG1-CD1 4.03Å; V52-F180 HydrophobicContact CG1-CE1 3.97Å; V52-F180 HydrophobicContact CG1-CZ 4.09Å; V52-F180 HydrophobicContact CG2-CZ 4.12Å; V52-Y219 HydrophobicContact CB-CE1 4.08Å; V52-Y219 HydrophobicContact CB-CE2 4.41Å; V52-Y219 HydrophobicContact CG1-CD1 3.99Å; V52-Y219 HydrophobicContact CG1-CE1 3.63Å; V52-Y219 HydrophobicContact CG1-CE2 4.3Å; V52-Y219 HydrophobicContact CG1-CG 4.45Å; V52-Y219 HydrophobicContact CG2-CE2 4.15Å
53	E	98.5	Very high	95.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.5	171.1	173.7	81.1	159.5	0	0	108.9	N42 L43 T44 L55 L65 K91 H92	N42-E53 VanDerWaalsContact CB-OE1 3.31Å; N42-E53 WeakPolarHBondContact CB-OE1 3.48Å; N42-E53 PolarHBondContact ND2-OE1 3.44Å; N42-E53 VanDerWaalsContact ND2-OE1 3.09Å; L43-E53 VanDerWaalsContact C-OE2 3.28Å; T44-E53 WeakPolarHBondContact CA-OE2 3.28Å; T44-E53 VanDerWaalsContact CB-OE2 3.26Å; T44-E53 WeakPolarHBondContact CB-OE2 3.33Å; T44-E53 PolarHBondContact N-OE2 2.94Å; T44-E53 PolarHBondContact OG1-OE2 3.21Å; E53-L55 HydrophobicContact CG-CD2 3.56Å; E53-L55 HydrophobicContact CG-CG 4.18Å; E53-L65 HydrophobicContact CB-CB 4.2Å; E53-L65 PolarHBondContact N-O 3.09Å; E53-L65 PolarHBondContact O-N 3.08Å; E53-K91 IonicContact OE1-NZ 3.68Å; E53-K91 PolarHBondContact OE1-NZ 2.75Å; E53-K91 VanDerWaalsContact OE1-NZ 3.1Å; E53-H92 IonicContact OE1-NE2 2.72Å
54	V	98.6	Very high	95.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.1	173.6	-175.3	0	0	0	0	109	N42 L43 Y62 Y64 Y219 P258 V260	N42-V54 VanDerWaalsContact CA-O 3.28Å; N42-V54 WeakPolarHBondContact CA-O 3.39Å; N42-V54 WeakPolarHBondContact CB-O 3.36Å; L43-V54 HydrophobicContact CB-CB 4.21Å; L43-V54 HydrophobicContact CB-CG2 4.31Å; L43-V54 PolarHBondContact N-O 2.87Å; L43-V54 PolarHBondContact O-N 3.2Å; V54-Y62 HydrophobicContact CG1-CD1 3.37Å; V54-Y62 HydrophobicContact CG1-CE1 3.72Å; V54-Y62 HydrophobicContact CG1-CG 3.9Å; V54-Y64 HydrophobicContact CB-CD1 4.41Å; V54-Y64 HydrophobicContact CB-CE1 4.27Å; V54-Y64 HydrophobicContact CG1-CD1 4.41Å; V54-Y64 HydrophobicContact CG1-CE1 3.89Å; V54-Y64 HydrophobicContact CG2-CD1 4.08Å; V54-Y64 HydrophobicContact CG2-CE1 3.89Å; V54-Y219 HydrophobicContact CG2-CD1 4.44Å; V54-Y219 HydrophobicContact CG2-CE1 4.25Å; V54-P258 HydrophobicContact CG1-CB 4.23Å; V54-P258 HydrophobicContact CG1-CG 4.02Å; V54-V260 HydrophobicContact CG1-CG2 3.87Å; V54-V260 HydrophobicContact CG2-CG2 4.17Å
55	L	98.4	Very high	95.7	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	104.1	-178	-59.1	178.4	0	0	0	110.1	N42 E53 A57 M63 L65 I76 A88	N42-L55 VanDerWaalsContact ND2-CD2 3.29Å; N42-L55 WeakPolarHBondContact ND2-CD2 3.29Å; E53-L55 HydrophobicContact CG-CD2 3.56Å; E53-L55 HydrophobicContact CG-CG 4.18Å; L55-A57 PolarHBondContact O-N 3.24Å; L55-M63 HydrophobicContact CB-CB 4.19Å; L55-M63 HydrophobicContact CB-CE 4.01Å; L55-M63 WeakPolarHBondContact CB-O 3.44Å; L55-M63 HydrophobicContact CD1-CE 4.41Å; L55-M63 PolarHBondContact N-O 2.99Å; L55-M63 PolarHBondContact O-N 3.33Å; L55-L65 HydrophobicContact CD1-CB 4.23Å; L55-I76 HydrophobicContact CD1-CD1 4.16Å; L55-A88 HydrophobicContact CD1-CB 3.84Å; L55-A88 HydrophobicContact CD2-CB 3.82Å; L55-A88 HydrophobicContact CG-CB 4.49Å
56	P	98.3	Very high	96.1	Very high	9 Å²	9	23.1 Å²	23.1	6%	0.058	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	129.7	174	-21	32.2	0	0	0	111.8	R40 N42 Y62 K84	R40-P56 HydrophobicContact CB-CB 3.8Å; R40-P56 HydrophobicContact CB-CG 3.72Å; N42-P56 WeakPolarHBondContact OD1-CD 3.29Å; P56-Y62 HydrophobicContact CB-CE1 4.32Å; P56-Y62 HydrophobicContact CG-CD1 4.47Å; P56-Y62 HydrophobicContact CG-CE1 4.11Å; P56-K84 PolarHBondContact O-NZ 3.44Å; P56-K84 VanDerWaalsContact O-NZ 3.11Å
57	A	97.8	Very high	96.5	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.8	176.3	0	0	0	0	0	111.3	R40 L55 T59 N61 M63 V80 Q81	R40-A57 PolarHBondContact NH2-O 3.47Å; L55-A57 PolarHBondContact O-N 3.24Å; A57-T59 PolarHBondContact O-N 3.14Å; A57-N61 HydrophobicContact CB-CB 4.29Å; A57-N61 PolarHBondContact N-O 3.35Å; A57-N61 PolarHBondContact O-N 2.9Å; A57-M63 HydrophobicContact CB-CE 4.03Å; A57-M63 HydrophobicContact CB-CG 3.78Å; A57-M63 HydrophobicContact CB-SD 3.94Å; A57-V80 HydrophobicContact CB-CG1 3.75Å; A57-Q81 HydrophobicContact CB-CG 4.34Å
58	L	97.4	Very high	97.1	Very high	50 Å²	50	17.8 Å²	17.8	26%	0.262	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-133.3	178.5	-56.3	179.1	0	0	0	111.4	N61 V80 Q81 W106 D107	L58-N61 WeakPolarHBondContact CD1-OD1 3.31Å; L58-V80 HydrophobicContact CD1-CG1 4.03Å; L58-V80 HydrophobicContact CD1-CG2 4.05Å; L58-V80 HydrophobicContact CG-CG1 4.01Å; L58-V80 HydrophobicContact CG-CG2 4.5Å; L58-Q81 HydrophobicContact CD2-CG 4.41Å; L58-W106 HydrophobicContact CD1-CH2 4.35Å; L58-W106 HydrophobicContact CD1-CZ3 3.72Å; L58-W106 HydrophobicContact CD2-CH2 4.04Å; L58-W106 HydrophobicContact CD2-CZ3 4.19Å; L58-D107 HydrophobicContact CD1-CB 3.64Å
59	T	96.9	Very high	97.6	Very high	122 Å²	122	17.2 Å²	17.2	75%	0.748	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-50.6	177.8	-55.9	0	0	0	0	111.2	R40 A57	R40-T59 VanDerWaalsContact CZ-O 3.3Å; R40-T59 PolarHBondContact NE-O 3.02Å; R40-T59 PolarHBondContact NH2-O 3.1Å; A57-T59 PolarHBondContact O-N 3.14Å
60	D	97.6	Very high	98	Very high	43 Å²	43	21.1 Å²	21.1	23%	0.23	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.4	-0.6	-171.6	49.4	38.4	0	0	0	114.5	R40 H222 E223 Y224	R40-D60 VanDerWaalsContact CZ-CA 3.41Å; R40-D60 PolarHBondContact NH1-O 3.01Å; D60-H222 CarbonylContact O-C 3.59Å; D60-H222 WeakPolarHBondContact O-CA 3.48Å; D60-H222 IonicContact OD1-CE1 3.18Å; D60-H222 IonicContact OD1-CG 2.63Å; D60-H222 IonicContact OD1-ND1 3.33Å; D60-H222 PolarHBondContact OD1-ND1 3.25Å; D60-E223 HydrophobicContact CB-CB 4.38Å; D60-E223 PolarHBondContact O-N 3.24Å; D60-Y224 HydrophobicContact CB-CE1 4.36Å; D60-Y224 WeakPolarHBondContact OD2-CE1 3.41Å
61	N	98.6	Very high	98.1	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.043	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	155.7	175.5	-64	78.1	0	0	0	112.6	R40 A57 L58 D107 G221 H222	R40-N61 PolarHBondContact NH1-O 3.16Å; R40-N61 VanDerWaalsContact NH1-O 3.14Å; R40-N61 PolarHBondContact NH2-O 3.11Å; A57-N61 HydrophobicContact CB-CB 4.29Å; A57-N61 PolarHBondContact N-O 3.35Å; A57-N61 PolarHBondContact O-N 2.9Å; L58-N61 WeakPolarHBondContact CD1-OD1 3.31Å; N61-D107 PolarHBondContact ND2-O 3.3Å; N61-D107 PolarHBondContact ND2-OD2 3.32Å; N61-G221 CarbonylContact C-O 3.59Å; N61-G221 VanDerWaalsContact CA-O 3.3Å; N61-G221 WeakPolarHBondContact CA-O 3.5Å; N61-H222 VanDerWaalsContact CG-CE1 3.43Å; N61-H222 PolarHBondContact ND2-CE1 2.99Å; N61-H222 PolarHBondContact ND2-NE2 3.01Å
62	Y	98.9	Very high	98.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.3	165.8	-70.6	-55.9	0	0	0	111	V54 P56 Y64 G221 E223 P258 V260	V54-Y62 HydrophobicContact CG1-CD1 3.37Å; V54-Y62 HydrophobicContact CG1-CE1 3.72Å; V54-Y62 HydrophobicContact CG1-CG 3.9Å; P56-Y62 HydrophobicContact CB-CE1 4.32Å; P56-Y62 HydrophobicContact CG-CD1 4.47Å; P56-Y62 HydrophobicContact CG-CE1 4.11Å; Y62-Y64 VanDerWaalsContact CB-CZ 3.45Å; Y62-Y64 VanDerWaalsContact CB-OH 3.31Å; Y62-Y64 WeakPolarHBondContact CB-OH 3.4Å; Y62-G221 PolarHBondContact N-O 3.29Å; Y62-E223 HydrophobicContact CE2-CB 3.68Å; Y62-E223 HydrophobicContact CE2-CG 4.29Å; Y62-E223 WeakPolarHBondContact CE2-OE2 3.2Å; Y62-E223 WeakPolarHBondContact OH-CG 3.27Å; Y62-E223 PolarHBondContact OH-OE2 2.9Å; Y62-P258 HydrophobicContact CE1-CB 4.04Å; Y62-P258 HydrophobicContact CE1-CG 4.02Å; Y62-P258 HydrophobicContact CE2-CB 4.43Å; Y62-P258 WeakPolarHBondContact OH-CA 3.33Å; Y62-P258 WeakPolarHBondContact OH-CB 3.39Å; Y62-V260 HydrophobicContact CD2-CG1 4.38Å; Y62-V260 HydrophobicContact CD2-CG2 3.86Å; Y62-V260 HydrophobicContact CE2-CG1 4.39Å; Y62-V260 HydrophobicContact CE2-CG2 3.79Å; Y62-V260 HydrophobicContact CG-CG2 4.39Å
63	M	98.9	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	152.7	163.6	-39.2	179.2	-68.9	0	0	107.7	L55 A57 I76 V77 D78 P79 V80 Q81 K84 V85	L55-M63 HydrophobicContact CB-CB 4.19Å; L55-M63 HydrophobicContact CB-CE 4.01Å; L55-M63 WeakPolarHBondContact CB-O 3.44Å; L55-M63 HydrophobicContact CD1-CE 4.41Å; L55-M63 PolarHBondContact N-O 2.99Å; L55-M63 PolarHBondContact O-N 3.33Å; A57-M63 HydrophobicContact CB-CE 4.03Å; A57-M63 HydrophobicContact CB-CG 3.78Å; A57-M63 HydrophobicContact CB-SD 3.94Å; M63-I76 HydrophobicContact CB-CD1 4.08Å; M63-V77 WeakPolarHBondContact CA-O 3.39Å; M63-V77 WeakPolarHBondContact CB-O 3.43Å; M63-D78 WeakPolarHBondContact CG-O 3.5Å; M63-P79 VanDerWaalsContact SD-C 3.6Å; M63-V80 HydrophobicContact CG-CG1 4.42Å; M63-V80 HydrophobicContact SD-CG1 4.08Å; M63-V80 PolarHBondContact SD-N 3.24Å; M63-V80 VanDerWaalsContact SD-N 3.43Å; M63-Q81 HydrophobicContact CE-CB 4.15Å; M63-Q81 HydrophobicContact SD-CB 4.26Å; M63-Q81 PolarHBondContact SD-N 2.81Å; M63-Q81 VanDerWaalsContact SD-N 3.41Å; M63-K84 HydrophobicContact CE-CB 4.1Å; M63-V85 HydrophobicContact CE-CG2 3.83Å; M63-V85 HydrophobicContact SD-CG2 4Å
64	Y	98.9	Very high	98.2	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	115.2	-175.9	-57.7	-79.3	0	0	0	111.8	V52 V54 Y62 V66 I76 V77 F180 Y219 C220 V260	V52-Y64 HydrophobicContact CG1-CD1 4.03Å; V54-Y64 HydrophobicContact CB-CD1 4.41Å; V54-Y64 HydrophobicContact CB-CE1 4.27Å; V54-Y64 HydrophobicContact CG1-CD1 4.41Å; V54-Y64 HydrophobicContact CG1-CE1 3.89Å; V54-Y64 HydrophobicContact CG2-CD1 4.08Å; V54-Y64 HydrophobicContact CG2-CE1 3.89Å; Y62-Y64 VanDerWaalsContact CB-CZ 3.45Å; Y62-Y64 VanDerWaalsContact CB-OH 3.31Å; Y62-Y64 WeakPolarHBondContact CB-OH 3.4Å; Y64-V66 PolarHBondContact O-N 2.83Å; Y64-I76 WeakPolarHBondContact O-CA 3.49Å; Y64-I76 WeakPolarHBondContact O-CD1 3.41Å; Y64-V77 HydrophobicContact CD2-CB 4.24Å; Y64-V77 HydrophobicContact CD2-CG1 4.39Å; Y64-V77 PolarHBondContact N-O 2.89Å; Y64-V77 PolarHBondContact O-N 3.1Å; Y64-F180 VanDerWaalsContact CB-CE1 3.45Å; Y64-F180 HydrophobicContact CD1-CE1 4.21Å; Y64-F180 AromaticContact CD2-CD1 3.68Å; Y64-F180 HydrophobicContact CD2-CD1 3.68Å; Y64-F180 HydrophobicContact CD2-CE1 4.05Å; Y64-F180 HydrophobicContact CE2-CD1 4.38Å; Y64-F180 AromaticContact CG-CD1 3.78Å; Y64-F180 HydrophobicContact CG-CD1 3.78Å; Y64-F180 AromaticContact CG-CE1 3.64Å; Y64-F180 HydrophobicContact CG-CE1 3.64Å; Y64-Y219 AromaticContact CD1-CD1 3.78Å; Y64-Y219 HydrophobicContact CD1-CD1 3.78Å; Y64-Y219 HydrophobicContact CD1-CG 4.28Å; Y64-Y219 AromaticContact CE1-CD1 3.5Å; Y64-Y219 HydrophobicContact CE1-CD1 3.5Å; Y64-Y219 VanDerWaalsContact CE1-CD1 3.5Å; Y64-Y219 HydrophobicContact CE1-CE1 4.5Å; Y64-Y219 HydrophobicContact CE1-CG 4.1Å; Y64-C220 WeakPolarHBondContact CE2-O 3.47Å; Y64-C220 PolarHBondContact OH-N 3.17Å; Y64-C220 PolarHBondContact OH-O 2.8Å; Y64-V260 HydrophobicContact CE1-CG2 4.19Å
65	L	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	107.5	171.6	179.7	70.9	0	0	0	108.4	E53 L55 I67 A74 A75 I76 A88 V94 L96	E53-L65 HydrophobicContact CB-CB 4.2Å; E53-L65 PolarHBondContact N-O 3.09Å; E53-L65 PolarHBondContact O-N 3.08Å; L55-L65 HydrophobicContact CD1-CB 4.23Å; L65-I67 HydrophobicContact CD2-CD1 4.07Å; L65-I67 HydrophobicContact CD2-CG1 4.3Å; L65-I67 HydrophobicContact CG-CD1 4.28Å; L65-I67 HydrophobicContact CG-CG1 4.01Å; L65-A74 HydrophobicContact CD1-CB 3.82Å; L65-A75 WeakPolarHBondContact CA-O 3.28Å; L65-I76 HydrophobicContact CB-CD1 4.29Å; L65-A88 HydrophobicContact CD2-CB 4.14Å; L65-V94 HydrophobicContact CD2-CG2 4.22Å; L65-L96 HydrophobicContact CD1-CD1 3.84Å
66	V	98.9	Very high	98.2	Very high	3 Å²	3	29 Å²	29	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.7	-178.9	-170.4	0	0	0	0	108.3	M50 Y64 A74 A75 V77 L149 V168 F180	M50-V66 HydrophobicContact CG-CG1 4.25Å; M50-V66 HydrophobicContact SD-CG1 4.13Å; Y64-V66 PolarHBondContact O-N 2.83Å; V66-A74 CarbonylContact O-C 3.58Å; V66-A74 WeakPolarHBondContact O-CA 3.19Å; V66-A74 WeakPolarHBondContact O-CB 3.31Å; V66-A75 HydrophobicContact CB-CB 4.46Å; V66-A75 PolarHBondContact N-O 2.9Å; V66-A75 PolarHBondContact O-N 3.43Å; V66-V77 HydrophobicContact CG2-CG2 4.11Å; V66-L149 HydrophobicContact CG1-CD1 4.25Å; V66-V168 HydrophobicContact CG1-CG1 4.32Å; V66-F180 HydrophobicContact CB-CZ 4.46Å; V66-F180 HydrophobicContact CG1-CE2 4.5Å; V66-F180 HydrophobicContact CG1-CZ 4.44Å; V66-F180 HydrophobicContact CG2-CE1 3.91Å; V66-F180 HydrophobicContact CG2-CE2 3.63Å; V66-F180 HydrophobicContact CG2-CZ 3.25Å
67	I	98.8	Very high	98.2	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.7	-171.4	-60.6	168.8	0	0	0	108.6	M50 K51 L65 A74 H92 V94	M50-I67 WeakPolarHBondContact CA-O 3.36Å; K51-I67 HydrophobicContact CB-CB 4.13Å; K51-I67 PolarHBondContact N-O 2.8Å; K51-I67 PolarHBondContact O-N 3.26Å; L65-I67 HydrophobicContact CD2-CD1 4.07Å; L65-I67 HydrophobicContact CD2-CG1 4.3Å; L65-I67 HydrophobicContact CG-CD1 4.28Å; L65-I67 HydrophobicContact CG-CG1 4.01Å; I67-A74 HydrophobicContact CG1-CB 4.18Å; I67-H92 HydrophobicContact CD1-CB 3.93Å; I67-V94 HydrophobicContact CB-CG1 4.47Å; I67-V94 HydrophobicContact CD1-CG1 4.11Å; I67-V94 HydrophobicContact CD1-CG2 4.49Å; I67-V94 HydrophobicContact CG1-CG1 4.1Å; I67-V94 HydrophobicContact CG1-CG2 4.39Å; I67-V94 HydrophobicContact CG2-CG1 3.61Å
68	D	98.5	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.6	160.4	174.6	22.2	0	0	0	109	E70 T71 K72 E73 G147 S148 L149	D68-E70 VanDerWaalsContact C-N 3.28Å; D68-E70 PolarHBondContact O-N 3.43Å; D68-E70 PolarHBondContact OD1-N 3.48Å; D68-T71 VanDerWaalsContact OD2-CB 3.26Å; D68-T71 WeakPolarHBondContact OD2-CB 3.35Å; D68-T71 WeakPolarHBondContact OD2-CG2 3.18Å; D68-T71 PolarHBondContact OD2-N 2.88Å; D68-T71 VanDerWaalsContact OD2-N 3.14Å; D68-T71 PolarHBondContact OD2-OG1 3.44Å; D68-K72 WeakPolarHBondContact O-CA 3.2Å; D68-K72 PolarHBondContact O-N 3.04Å; D68-E73 PolarHBondContact N-O 3.48Å; D68-G147 WeakPolarHBondContact OD2-CA 3.38Å; D68-S148 PolarHBondContact OD1-OG 3Å; D68-S148 PolarHBondContact OD2-N 3.15Å; D68-L149 HydrophobicContact CB-CD1 3.84Å; D68-L149 HydrophobicContact CB-CG 3.83Å
69	D	95.6	Very high	98.3	Very high	26 Å²	26	26.4 Å²	26.4	14%	0.139	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.5	179.5	-93.6	-45.9	0	0	0	113.5	T49 K51 K72	T49-D69 WeakPolarHBondContact O-CB 3.32Å; T49-D69 PolarHBondContact O-N 3.04Å; K51-D69 VanDerWaalsContact CD-OD2 3.32Å; K51-D69 WeakPolarHBondContact CD-OD2 3.5Å; K51-D69 WeakPolarHBondContact CE-OD2 3.31Å; K51-D69 WeakPolarHBondContact CG-OD2 3.48Å; K51-D69 VanDerWaalsContact NZ-CG 3.32Å; K51-D69 IonicContact NZ-OD1 3.73Å; K51-D69 PolarHBondContact NZ-OD1 3.04Å; K51-D69 IonicContact NZ-OD2 3.57Å; K51-D69 PolarHBondContact NZ-OD2 3.09Å; D69-K72 VanDerWaalsContact O-CE 3.27Å; D69-K72 WeakPolarHBondContact O-CE 3.25Å; D69-K72 IonicContact OD1-NZ 3.1Å; D69-K72 PolarHBondContact OD1-NZ 3.4Å
70	E	96.3	Very high	98.4	Very high	119 Å²	119	21.2 Å²	21.2	56%	0.556	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-48.2	-177.4	-69.7	-173.2	165.7	0	0	111.9	D68 S148 K170	D68-E70 VanDerWaalsContact C-N 3.28Å; D68-E70 PolarHBondContact O-N 3.43Å; D68-E70 PolarHBondContact OD1-N 3.48Å; E70-S148 WeakPolarHBondContact OE2-CB 3.13Å; E70-S148 PolarHBondContact OE2-OG 3.45Å; E70-K170 WeakPolarHBondContact OE1-CE 3.38Å; E70-K170 IonicContact OE1-NZ 3.74Å; E70-K170 PolarHBondContact OE1-NZ 3.02Å; E70-K170 IonicContact OE2-NZ 3.92Å
71	T	98.1	Very high	98.5	Very high	69 Å²	69	22.2 Å²	22.2	42%	0.423	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-14.7	-176.9	66.8	0	0	0	0	113.8	D68 E73 G147	D68-T71 VanDerWaalsContact OD2-CB 3.26Å; D68-T71 WeakPolarHBondContact OD2-CB 3.35Å; D68-T71 WeakPolarHBondContact OD2-CG2 3.18Å; D68-T71 PolarHBondContact OD2-N 2.88Å; D68-T71 VanDerWaalsContact OD2-N 3.14Å; D68-T71 PolarHBondContact OD2-OG1 3.44Å; T71-E73 PolarHBondContact O-N 3.18Å; T71-E73 WeakPolarHBondContact OG1-CB 3.49Å; T71-E73 PolarHBondContact OG1-N 2.96Å; T71-G147 VanDerWaalsContact OG1-CA 3.24Å; T71-G147 WeakPolarHBondContact OG1-CA 3.38Å
72	K	98.4	Very high	98.5	Very high	90 Å²	90	22.1 Å²	22.1	39%	0.391	11%	0.109	S	C	.	.			trans	59	17.4	-168.7	-55.3	-62.3	178.8	-175.6	0	113.7	D68 D69 V94 K95	D68-K72 WeakPolarHBondContact O-CA 3.2Å; D68-K72 PolarHBondContact O-N 3.04Å; D69-K72 VanDerWaalsContact O-CE 3.27Å; D69-K72 WeakPolarHBondContact O-CE 3.25Å; D69-K72 IonicContact OD1-NZ 3.1Å; D69-K72 PolarHBondContact OD1-NZ 3.4Å; K72-V94 HydrophobicContact CD-CG1 4.46Å; K72-V94 CarbonylContact O-C 3.56Å; K72-V94 WeakPolarHBondContact O-CA 3.42Å; K72-V94 WeakPolarHBondContact O-CB 3.36Å; K72-K95 PolarHBondContact O-N 2.57Å
73	E	98.8	Very high	98.5	Very high	60 Å²	60	26 Å²	26	28%	0.28	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	148.5	162.4	-64.6	-164.8	170.7	0	0	110.3	D68 T71 K95 T97 V146 G147	D68-E73 PolarHBondContact N-O 3.48Å; T71-E73 PolarHBondContact O-N 3.18Å; T71-E73 WeakPolarHBondContact OG1-CB 3.49Å; T71-E73 PolarHBondContact OG1-N 2.96Å; E73-K95 CarbonylContact C-O 3.59Å; E73-K95 WeakPolarHBondContact CA-O 3.46Å; E73-T97 HydrophobicContact CB-CG2 4.28Å; E73-T97 HydrophobicContact CG-CG2 4.06Å; E73-V146 HydrophobicContact CB-CG1 4.44Å; E73-G147 PolarHBondContact OE2-N 3.37Å
74	A	98.9	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.9	178.8	0	0	0	0	0	112.2	L65 V66 I67 V94 K95 L96 T97	L65-A74 HydrophobicContact CD1-CB 3.82Å; V66-A74 CarbonylContact O-C 3.58Å; V66-A74 WeakPolarHBondContact O-CA 3.19Å; V66-A74 WeakPolarHBondContact O-CB 3.31Å; I67-A74 HydrophobicContact CG1-CB 4.18Å; A74-V94 HydrophobicContact CB-CB 4.05Å; A74-V94 HydrophobicContact CB-CG2 3.81Å; A74-K95 PolarHBondContact N-O 2.83Å; A74-L96 HydrophobicContact CB-CD1 4.4Å; A74-T97 PolarHBondContact O-N 2.97Å; A74-T97 PolarHBondContact O-OG1 3.41Å
75	A	98.9	Very high	98.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.6	166.4	0	0	0	0	0	110.4	L65 V66 T98 L100 V146	L65-A75 WeakPolarHBondContact CA-O 3.28Å; V66-A75 HydrophobicContact CB-CB 4.46Å; V66-A75 PolarHBondContact N-O 2.9Å; V66-A75 PolarHBondContact O-N 3.43Å; A75-T98 CarbonylContact C-O 3.6Å; A75-T98 VanDerWaalsContact CA-O 3.24Å; A75-T98 WeakPolarHBondContact CA-O 3.24Å; A75-T98 HydrophobicContact CB-CG2 4.18Å; A75-L100 HydrophobicContact CB-CD1 4.18Å; A75-L100 HydrophobicContact CB-CG 4.3Å; A75-V146 HydrophobicContact CB-CG1 4.1Å; A75-V146 HydrophobicContact CB-CG2 3.78Å
76	I	98.9	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131	168.3	-176.3	64.3	0	0	0	109.7	L55 M63 Y64 L65 P79 V85 L96 T98 V99 L100 L115	L55-I76 HydrophobicContact CD1-CD1 4.16Å; M63-I76 HydrophobicContact CB-CD1 4.08Å; Y64-I76 WeakPolarHBondContact O-CA 3.49Å; Y64-I76 WeakPolarHBondContact O-CD1 3.41Å; L65-I76 HydrophobicContact CB-CD1 4.29Å; I76-P79 HydrophobicContact CG1-CB 3.72Å; I76-P79 HydrophobicContact CG2-CB 3.98Å; I76-P79 HydrophobicContact CG2-CG 4.3Å; I76-V85 HydrophobicContact CB-CG1 3.87Å; I76-V85 HydrophobicContact CD1-CB 4.5Å; I76-V85 HydrophobicContact CD1-CG1 3.93Å; I76-V85 HydrophobicContact CD1-CG2 3.88Å; I76-V85 HydrophobicContact CG1-CB 4.34Å; I76-V85 HydrophobicContact CG1-CG1 3.58Å; I76-V85 HydrophobicContact CG1-CG2 3.78Å; I76-V85 HydrophobicContact CG2-CG1 4.11Å; I76-L96 HydrophobicContact CB-CD1 3.9Å; I76-L96 HydrophobicContact CG2-CD1 3.95Å; I76-L96 HydrophobicContact CG2-CD2 4.09Å; I76-L96 HydrophobicContact CG2-CG 4.46Å; I76-T98 PolarHBondContact N-O 3.42Å; I76-V99 HydrophobicContact CG2-CB 4.35Å; I76-V99 HydrophobicContact CG2-CG1 4.46Å; I76-V99 HydrophobicContact CG2-CG2 3.8Å; I76-V99 CarbonylContact O-C 3.56Å; I76-V99 WeakPolarHBondContact O-CA 3.36Å; I76-L100 PolarHBondContact O-N 2.88Å; I76-L115 HydrophobicContact CG2-CD2 3.74Å
77	V	98.9	Very high	98.4	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130	172.5	-174.3	0	0	0	0	109.5	M63 Y64 V66 L100 T102 F180	M63-V77 WeakPolarHBondContact CA-O 3.39Å; M63-V77 WeakPolarHBondContact CB-O 3.43Å; Y64-V77 HydrophobicContact CD2-CB 4.24Å; Y64-V77 HydrophobicContact CD2-CG1 4.39Å; Y64-V77 PolarHBondContact N-O 2.89Å; Y64-V77 PolarHBondContact O-N 3.1Å; V66-V77 HydrophobicContact CG2-CG2 4.11Å; V77-L100 VanDerWaalsContact CA-O 3.29Å; V77-L100 WeakPolarHBondContact CA-O 3.26Å; V77-L100 HydrophobicContact CG2-CB 4.19Å; V77-L100 HydrophobicContact CG2-CD1 4.28Å; V77-T102 HydrophobicContact CG1-CG2 4.01Å; V77-F180 HydrophobicContact CB-CD1 4.38Å; V77-F180 HydrophobicContact CG1-CB 4.11Å; V77-F180 HydrophobicContact CG1-CD1 4.43Å; V77-F180 HydrophobicContact CG1-CG 4.4Å; V77-F180 HydrophobicContact CG2-CB 4.27Å; V77-F180 HydrophobicContact CG2-CD1 3.8Å; V77-F180 HydrophobicContact CG2-CD2 4.15Å; V77-F180 HydrophobicContact CG2-CE1 4.23Å; V77-F180 HydrophobicContact CG2-CG 3.77Å
78	D	98.9	Very high	98.4	Very high	4 Å²	4	33 Å²	33	2%	0.021	16%	0.163	C	C	.	.	S	Bend	trans	51.2	61.4	171.9	-63.2	-18.7	0	0	0	115.3	M63 V80 L100 T101 T102 H108	M63-D78 WeakPolarHBondContact CG-O 3.5Å; D78-V80 VanDerWaalsContact C-N 3.3Å; D78-V80 PolarHBondContact O-N 2.95Å; D78-L100 PolarHBondContact N-O 3.34Å; D78-T101 WeakPolarHBondContact OD1-CA 3.47Å; D78-T102 PolarHBondContact OD1-N 2.83Å; D78-T102 PolarHBondContact OD1-OG1 3.08Å; D78-T102 VanDerWaalsContact OD2-CG2 3.22Å; D78-T102 WeakPolarHBondContact OD2-CG2 3.29Å; D78-T102 PolarHBondContact OD2-OG1 2.88Å; D78-H108 CarbonylContact C-O 3.58Å; D78-H108 WeakPolarHBondContact CA-O 3.49Å; D78-H108 HydrophobicContact CB-CB 3.92Å; D78-H108 VanDerWaalsContact CG-ND1 3.32Å; D78-H108 IonicContact OD2-CE1 3.94Å; D78-H108 IonicContact OD2-CG 3.32Å; D78-H108 IonicContact OD2-ND1 3.3Å; D78-H108 PolarHBondContact OD2-ND1 3.43Å
79	P	98.8	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.			trans	-80.6	51.9	-163.9	36.5	-40.6	0	0	0	115.3	M63 I76 Q81 P82 V85 V99 G111 N112 L115	M63-P79 VanDerWaalsContact SD-C 3.6Å; I76-P79 HydrophobicContact CG1-CB 3.72Å; I76-P79 HydrophobicContact CG2-CB 3.98Å; I76-P79 HydrophobicContact CG2-CG 4.3Å; P79-Q81 PolarHBondContact O-N 3.25Å; P79-Q81 VanDerWaalsContact O-N 3.08Å; P79-P82 WeakPolarHBondContact O-CD 3.21Å; P79-V85 HydrophobicContact CB-CG2 4.02Å; P79-V99 HydrophobicContact CG-CG1 3.69Å; P79-G111 WeakPolarHBondContact O-CA 3.35Å; P79-N112 WeakPolarHBondContact CD-OD1 3.26Å; P79-N112 WeakPolarHBondContact CG-OD1 3.34Å; P79-L115 HydrophobicContact CB-CD2 3.7Å; P79-L115 HydrophobicContact CG-CD2 3.83Å
80	V	98.8	Very high	98.5	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.079	19%	0.189	C	C	.	.	S	Bend	trans	-58.9	-25	-173.5	69.3	0	0	0	0	115.5	A57 L58 M63 D78 P82 W106 D107	A57-V80 HydrophobicContact CB-CG1 3.75Å; L58-V80 HydrophobicContact CD1-CG1 4.03Å; L58-V80 HydrophobicContact CD1-CG2 4.05Å; L58-V80 HydrophobicContact CG-CG1 4.01Å; L58-V80 HydrophobicContact CG-CG2 4.5Å; M63-V80 HydrophobicContact CG-CG1 4.42Å; M63-V80 HydrophobicContact SD-CG1 4.08Å; M63-V80 PolarHBondContact SD-N 3.24Å; M63-V80 VanDerWaalsContact SD-N 3.43Å; D78-V80 VanDerWaalsContact C-N 3.3Å; D78-V80 PolarHBondContact O-N 2.95Å; V80-P82 VanDerWaalsContact O-CD 3.29Å; V80-P82 WeakPolarHBondContact O-CD 3.49Å; V80-W106 HydrophobicContact CG2-CH2 4.4Å; V80-W106 HydrophobicContact CG2-CZ3 4.44Å; V80-W106 WeakPolarHBondContact CG2-O 3.27Å; V80-D107 WeakPolarHBondContact CB-O 3.17Å; V80-D107 VanDerWaalsContact CG1-O 3.28Å; V80-D107 WeakPolarHBondContact CG1-O 3.32Å
81	Q	98.7	Very high	98.6	Very high	65 Å²	65	41 Å²	41	30%	0.304	19%	0.191	S	C	.	.	S	Bend	trans	-116.1	78.9	173.6	-69.7	-171.6	-49.3	0	0	112.1	A57 L58 M63 P79 Q83 K84	A57-Q81 HydrophobicContact CB-CG 4.34Å; L58-Q81 HydrophobicContact CD2-CG 4.41Å; M63-Q81 HydrophobicContact CE-CB 4.15Å; M63-Q81 HydrophobicContact SD-CB 4.26Å; M63-Q81 PolarHBondContact SD-N 2.81Å; M63-Q81 VanDerWaalsContact SD-N 3.41Å; P79-Q81 PolarHBondContact O-N 3.25Å; P79-Q81 VanDerWaalsContact O-N 3.08Å; Q81-Q83 VanDerWaalsContact C-N 3.3Å; Q81-Q83 PolarHBondContact O-N 3.15Å; Q81-Q83 VanDerWaalsContact O-N 3.08Å; Q81-K84 HydrophobicContact CB-CD 4.43Å; Q81-K84 HydrophobicContact CB-CG 4.49Å; Q81-K84 PolarHBondContact O-N 2.76Å; Q81-K84 VanDerWaalsContact O-N 3.09Å
82	P	98.6	Very high	98.6	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.039	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-31.6	-168.1	-32.5	38.8	0	0	0	116.4	P79 V80 V85 V86 G111 K114 L115 L118	P79-P82 WeakPolarHBondContact O-CD 3.21Å; V80-P82 VanDerWaalsContact O-CD 3.29Å; V80-P82 WeakPolarHBondContact O-CD 3.49Å; P82-V85 WeakPolarHBondContact O-CB 3.34Å; P82-V85 PolarHBondContact O-N 3.04Å; P82-V86 WeakPolarHBondContact O-CG2 3.43Å; P82-V86 PolarHBondContact O-N 3.45Å; P82-G111 WeakPolarHBondContact CG-O 3.4Å; P82-K114 HydrophobicContact CB-CD 4.5Å; P82-K114 HydrophobicContact CB-CG 4.25Å; P82-K114 HydrophobicContact CG-CB 4.04Å; P82-K114 HydrophobicContact CG-CD 4.25Å; P82-K114 HydrophobicContact CG-CG 4.1Å; P82-L115 HydrophobicContact CB-CB 3.88Å; P82-L115 HydrophobicContact CB-CD1 3.99Å; P82-L115 HydrophobicContact CG-CB 4Å; P82-L118 HydrophobicContact CB-CD1 3.91Å
83	Q	98.4	Very high	98.6	Very high	82 Å²	82	38.6 Å²	38.6	38%	0.383	19%	0.192	S	C	.	.	H	α-helix	trans	-66	-41.7	-179.9	-169.6	59.4	51.1	0	0	111.2	Q81 V85 V86 D87	Q81-Q83 VanDerWaalsContact C-N 3.3Å; Q81-Q83 PolarHBondContact O-N 3.15Å; Q81-Q83 VanDerWaalsContact O-N 3.08Å; Q83-V85 PolarHBondContact O-N 3.04Å; Q83-V86 PolarHBondContact O-N 3.1Å; Q83-D87 PolarHBondContact NE2-OD1 2.85Å; Q83-D87 PolarHBondContact O-N 3.47Å
84	K	98.3	Very high	98.6	Very high	72 Å²	72	36.6 Å²	36.6	31%	0.313	18%	0.184	S	C	.	.	H	α-helix	trans	-59.2	-38.1	174.3	-72.1	-170	172.3	-170.9	0	111.3	D38 P56 M63 Q81 A88	D38-K84 IonicContact OD1-NZ 3.74Å; P56-K84 PolarHBondContact O-NZ 3.44Å; P56-K84 VanDerWaalsContact O-NZ 3.11Å; M63-K84 HydrophobicContact CE-CB 4.1Å; Q81-K84 HydrophobicContact CB-CD 4.43Å; Q81-K84 HydrophobicContact CB-CG 4.49Å; Q81-K84 PolarHBondContact O-N 2.76Å; Q81-K84 VanDerWaalsContact O-N 3.09Å; K84-A88 VanDerWaalsContact O-CB 3.31Å; K84-A88 WeakPolarHBondContact O-CB 3.31Å; K84-A88 PolarHBondContact O-N 3Å
85	V	98.8	Very high	98.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-48.8	176.4	178.8	0	0	0	0	111.2	M63 I76 P79 P82 Q83 D87 A88 A89 L96 L115	M63-V85 HydrophobicContact CE-CG2 3.83Å; M63-V85 HydrophobicContact SD-CG2 4Å; I76-V85 HydrophobicContact CB-CG1 3.87Å; I76-V85 HydrophobicContact CD1-CB 4.5Å; I76-V85 HydrophobicContact CD1-CG1 3.93Å; I76-V85 HydrophobicContact CD1-CG2 3.88Å; I76-V85 HydrophobicContact CG1-CB 4.34Å; I76-V85 HydrophobicContact CG1-CG1 3.58Å; I76-V85 HydrophobicContact CG1-CG2 3.78Å; I76-V85 HydrophobicContact CG2-CG1 4.11Å; P79-V85 HydrophobicContact CB-CG2 4.02Å; P82-V85 WeakPolarHBondContact O-CB 3.34Å; P82-V85 PolarHBondContact O-N 3.04Å; Q83-V85 PolarHBondContact O-N 3.04Å; V85-D87 VanDerWaalsContact C-N 3.31Å; V85-D87 PolarHBondContact O-N 3.32Å; V85-A88 PolarHBondContact O-N 3.11Å; V85-A89 WeakPolarHBondContact O-CB 3.3Å; V85-A89 PolarHBondContact O-N 3.46Å; V85-L96 HydrophobicContact CG1-CD2 3.84Å; V85-L115 HydrophobicContact CG1-CD1 4.37Å
86	V	98.6	Very high	98.6	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-42.4	178.7	171	0	0	0	0	111	P82 Q83 A89 R90 L115 L118 Q119	P82-V86 WeakPolarHBondContact O-CG2 3.43Å; P82-V86 PolarHBondContact O-N 3.45Å; Q83-V86 PolarHBondContact O-N 3.1Å; V86-A89 PolarHBondContact O-N 3.19Å; V86-R90 WeakPolarHBondContact O-CB 3.45Å; V86-R90 VanDerWaalsContact O-CG 3.29Å; V86-R90 WeakPolarHBondContact O-CG 3.4Å; V86-R90 PolarHBondContact O-N 3.39Å; V86-L115 HydrophobicContact CG2-CD1 4.08Å; V86-L118 HydrophobicContact CG2-CB 4.31Å; V86-L118 HydrophobicContact CG2-CD1 4.35Å; V86-Q119 HydrophobicContact CG2-CG 4.03Å
87	D	98.4	Very high	98.6	Very high	75 Å²	75	44.7 Å²	44.7	40%	0.401	22%	0.222	S	C	.	.	H	α-helix	trans	-68.2	-39.5	179.8	-62.5	-22.6	0	0	0	111.5	Q83 V85 R90 K91	Q83-D87 PolarHBondContact NE2-OD1 2.85Å; Q83-D87 PolarHBondContact O-N 3.47Å; V85-D87 VanDerWaalsContact C-N 3.31Å; V85-D87 PolarHBondContact O-N 3.32Å; D87-R90 PolarHBondContact O-N 3.27Å; D87-R90 IonicContact OD1-NH1 2.79Å; D87-K91 WeakPolarHBondContact O-CB 3.38Å; D87-K91 PolarHBondContact O-N 2.5Å
88	A	98.5	Very high	98.6	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-46.1	173.3	0	0	0	0	0	112.1	L55 L65 K84 V85 R90 K91 H92	L55-A88 HydrophobicContact CD1-CB 3.84Å; L55-A88 HydrophobicContact CD2-CB 3.82Å; L55-A88 HydrophobicContact CG-CB 4.49Å; L65-A88 HydrophobicContact CD2-CB 4.14Å; K84-A88 VanDerWaalsContact O-CB 3.31Å; K84-A88 WeakPolarHBondContact O-CB 3.31Å; K84-A88 PolarHBondContact O-N 3Å; V85-A88 PolarHBondContact O-N 3.11Å; A88-R90 VanDerWaalsContact C-N 3.29Å; A88-R90 PolarHBondContact O-N 2.89Å; A88-K91 WeakPolarHBondContact O-CB 3.5Å; A88-K91 PolarHBondContact O-N 3.07Å; A88-H92 PolarHBondContact O-CD2 2.97Å; A88-H92 VanDerWaalsContact O-CD2 3.26Å; A88-H92 PolarHBondContact O-N 3.18Å
89	A	98.6	Very high	98.6	Very high	8 Å²	8	44.7 Å²	44.7	7%	0.066	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-41.5	176.5	0	0	0	0	0	111.7	V85 V86 H92 G93 V94	V85-A89 WeakPolarHBondContact O-CB 3.3Å; V85-A89 PolarHBondContact O-N 3.46Å; V86-A89 PolarHBondContact O-N 3.19Å; A89-H92 PolarHBondContact O-N 2.71Å; A89-G93 PolarHBondContact O-N 3.18Å; A89-V94 HydrophobicContact CB-CG2 4.06Å; A89-V94 WeakPolarHBondContact O-CG2 3.14Å; A89-V94 PolarHBondContact O-N 3.33Å
90	R	98.4	Very high	98.6	Very high	168 Å²	168	44.8 Å²	44.8	63%	0.634	22%	0.222	S	C	*	.	H	α-helix	trans	-64.3	-46.7	174	-73.4	171.2	-179.1	168.9	-1.9	112.5	V86 D87 A88 H92 G93	V86-R90 WeakPolarHBondContact O-CB 3.45Å; V86-R90 VanDerWaalsContact O-CG 3.29Å; V86-R90 WeakPolarHBondContact O-CG 3.4Å; V86-R90 PolarHBondContact O-N 3.39Å; D87-R90 PolarHBondContact O-N 3.27Å; D87-R90 IonicContact OD1-NH1 2.79Å; A88-R90 VanDerWaalsContact C-N 3.29Å; A88-R90 PolarHBondContact O-N 2.89Å; R90-H92 PolarHBondContact O-N 2.81Å; R90-G93 PolarHBondContact O-N 3.33Å
91	K	98.2	Very high	98.6	Very high	137 Å²	137	44.1 Å²	44.1	60%	0.596	22%	0.219	S	C	*	.	H	α-helix	trans	-55.1	-41.8	177.5	172.7	-167	164.6	-155.2	0	111.5	E53 D87 A88	E53-K91 IonicContact OE1-NZ 3.68Å; E53-K91 PolarHBondContact OE1-NZ 2.75Å; E53-K91 VanDerWaalsContact OE1-NZ 3.1Å; D87-K91 WeakPolarHBondContact O-CB 3.38Å; D87-K91 PolarHBondContact O-N 2.5Å; A88-K91 WeakPolarHBondContact O-CB 3.5Å; A88-K91 PolarHBondContact O-N 3.07Å
92	H	98	Very high	98.6	Very high	50 Å²	50	41 Å²	41	23%	0.231	20%	0.204	C	C	.	.	H	α-helix	trans	-86.3	-5.1	-179.8	-72.4	-101.2	0	0	0	113.5	E53 I67 A88 A89 R90 V94	E53-H92 IonicContact OE1-NE2 2.72Å; I67-H92 HydrophobicContact CD1-CB 3.93Å; A88-H92 PolarHBondContact O-CD2 2.97Å; A88-H92 VanDerWaalsContact O-CD2 3.26Å; A88-H92 PolarHBondContact O-N 3.18Å; A89-H92 PolarHBondContact O-N 2.71Å; R90-H92 PolarHBondContact O-N 2.81Å; H92-V94 VanDerWaalsContact C-N 3.31Å; H92-V94 HydrophobicContact CB-CG1 4.2Å; H92-V94 HydrophobicContact CB-CG2 4.22Å; H92-V94 PolarHBondContact O-N 3.14Å
93	G	98.2	Very high	98.6	Very high	59 Å²	59	40.8 Å²	40.8	61%	0.608	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	32.6	179.9	0	0	0	0	0	113.6	A89 R90	A89-G93 PolarHBondContact O-N 3.18Å; R90-G93 PolarHBondContact O-N 3.33Å
94	V	98.7	Very high	98.6	Very high	18 Å²	18	38.7 Å²	38.7	11%	0.109	19%	0.192	C	C	.	.			trans	-107.4	153.7	-175.6	-63.8	0	0	0	0	112.1	L65 I67 K72 A74 A89 H92	L65-V94 HydrophobicContact CD2-CG2 4.22Å; I67-V94 HydrophobicContact CB-CG1 4.47Å; I67-V94 HydrophobicContact CD1-CG1 4.11Å; I67-V94 HydrophobicContact CD1-CG2 4.49Å; I67-V94 HydrophobicContact CG1-CG1 4.1Å; I67-V94 HydrophobicContact CG1-CG2 4.39Å; I67-V94 HydrophobicContact CG2-CG1 3.61Å; K72-V94 HydrophobicContact CD-CG1 4.46Å; K72-V94 CarbonylContact O-C 3.56Å; K72-V94 WeakPolarHBondContact O-CA 3.42Å; K72-V94 WeakPolarHBondContact O-CB 3.36Å; A74-V94 HydrophobicContact CB-CB 4.05Å; A74-V94 HydrophobicContact CB-CG2 3.81Å; A89-V94 HydrophobicContact CB-CG2 4.06Å; A89-V94 WeakPolarHBondContact O-CG2 3.14Å; A89-V94 PolarHBondContact O-N 3.33Å; H92-V94 VanDerWaalsContact C-N 3.31Å; H92-V94 HydrophobicContact CB-CG1 4.2Å; H92-V94 HydrophobicContact CB-CG2 4.22Å; H92-V94 PolarHBondContact O-N 3.14Å
95	K	98.7	Very high	98.7	Very high	134 Å²	134	37.2 Å²	37.2	58%	0.583	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.3	175.4	-177.4	-171.4	173.6	-165.2	0	109.5	K72 E73 A74 T97	K72-K95 PolarHBondContact O-N 2.57Å; E73-K95 CarbonylContact C-O 3.59Å; E73-K95 WeakPolarHBondContact CA-O 3.46Å; A74-K95 PolarHBondContact N-O 2.83Å; K95-T97 HydrophobicContact CD-CG2 4.1Å; K95-T97 HydrophobicContact CG-CG2 4.07Å; K95-T97 PolarHBondContact O-N 2.93Å
96	L	98.8	Very high	98.7	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.073	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	119.9	174.1	-165.9	70.2	0	0	0	110	L65 A74 I76 V85 L115 L122	L65-L96 HydrophobicContact CD1-CD1 3.84Å; A74-L96 HydrophobicContact CB-CD1 4.4Å; I76-L96 HydrophobicContact CB-CD1 3.9Å; I76-L96 HydrophobicContact CG2-CD1 3.95Å; I76-L96 HydrophobicContact CG2-CD2 4.09Å; I76-L96 HydrophobicContact CG2-CG 4.46Å; V85-L96 HydrophobicContact CG1-CD2 3.84Å; L96-L115 HydrophobicContact CD2-CD1 4.22Å; L96-L115 HydrophobicContact CD2-CD2 4.22Å; L96-L122 HydrophobicContact CB-CD2 4.32Å; L96-L122 HydrophobicContact CD2-CD1 4.36Å; L96-L122 HydrophobicContact CD2-CD2 4.18Å; L96-L122 HydrophobicContact CG-CD2 3.89Å; L96-L122 VanDerWaalsContact O-CD2 3.32Å; L96-L122 WeakPolarHBondContact O-CD2 3.48Å
97	T	98.8	Very high	98.7	Very high	22 Å²	22	46.7 Å²	46.7	14%	0.135	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-25.3	-178.4	61	0	0	0	0	113	E73 A74 K95 K123	E73-T97 HydrophobicContact CB-CG2 4.28Å; E73-T97 HydrophobicContact CG-CG2 4.06Å; A74-T97 PolarHBondContact O-N 2.97Å; A74-T97 PolarHBondContact O-OG1 3.41Å; K95-T97 HydrophobicContact CD-CG2 4.1Å; K95-T97 HydrophobicContact CG-CG2 4.07Å; K95-T97 PolarHBondContact O-N 2.93Å; T97-K123 PolarHBondContact O-N 3.17Å
98	T	98.9	Very high	98.7	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138	-162.7	-56.4	0	0	0	0	111.2	A75 I76 L100 Y125 L144 V146	A75-T98 CarbonylContact C-O 3.6Å; A75-T98 VanDerWaalsContact CA-O 3.24Å; A75-T98 WeakPolarHBondContact CA-O 3.24Å; A75-T98 HydrophobicContact CB-CG2 4.18Å; I76-T98 PolarHBondContact N-O 3.42Å; T98-L100 HydrophobicContact CG2-CD2 3.75Å; T98-L100 HydrophobicContact CG2-CG 4.2Å; T98-Y125 HydrophobicContact CG2-CD2 3.71Å; T98-Y125 HydrophobicContact CG2-CE2 3.82Å; T98-L144 HydrophobicContact CG2-CD1 3.91Å; T98-V146 HydrophobicContact CG2-CG2 4.43Å
99	V	98.9	Very high	98.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.7	167.7	178.1	0	0	0	0	108	I76 P79 L115 L122 K123 V124 Y125	I76-V99 HydrophobicContact CG2-CB 4.35Å; I76-V99 HydrophobicContact CG2-CG1 4.46Å; I76-V99 HydrophobicContact CG2-CG2 3.8Å; I76-V99 CarbonylContact O-C 3.56Å; I76-V99 WeakPolarHBondContact O-CA 3.36Å; P79-V99 HydrophobicContact CG-CG1 3.69Å; V99-L115 HydrophobicContact CG2-CD2 3.69Å; V99-L122 HydrophobicContact CG2-CD1 4.1Å; V99-K123 PolarHBondContact N-O 3.32Å; V99-V124 HydrophobicContact CB-CB 4.38Å; V99-V124 HydrophobicContact CB-CG1 4.25Å; V99-V124 HydrophobicContact CB-CG2 4.15Å; V99-V124 HydrophobicContact CG1-CG1 4.18Å; V99-V124 HydrophobicContact CG2-CG2 4.25Å; V99-Y125 PolarHBondContact O-N 2.91Å
100	L	98.9	Very high	98.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.6	175.7	-58.4	-179.8	0	0	0	108	A75 I76 V77 D78 T98 Y125 L144 V151 Y166	A75-L100 HydrophobicContact CB-CD1 4.18Å; A75-L100 HydrophobicContact CB-CG 4.3Å; I76-L100 PolarHBondContact O-N 2.88Å; V77-L100 VanDerWaalsContact CA-O 3.29Å; V77-L100 WeakPolarHBondContact CA-O 3.26Å; V77-L100 HydrophobicContact CG2-CB 4.19Å; V77-L100 HydrophobicContact CG2-CD1 4.28Å; D78-L100 PolarHBondContact N-O 3.34Å; T98-L100 HydrophobicContact CG2-CD2 3.75Å; T98-L100 HydrophobicContact CG2-CG 4.2Å; L100-Y125 HydrophobicContact CD2-CD2 4.33Å; L100-Y125 HydrophobicContact CD2-CG 4.38Å; L100-L144 HydrophobicContact CD2-CD1 4.07Å; L100-V151 HydrophobicContact CD1-CG1 4.26Å; L100-Y166 HydrophobicContact CB-CD1 4.36Å; L100-Y166 HydrophobicContact CB-CD2 3.85Å; L100-Y166 HydrophobicContact CB-CE1 4.23Å; L100-Y166 HydrophobicContact CB-CE2 3.7Å; L100-Y166 HydrophobicContact CB-CG 4.17Å; L100-Y166 HydrophobicContact CD1-CD1 4.25Å; L100-Y166 HydrophobicContact CD1-CG 4.09Å; L100-Y166 HydrophobicContact CD2-CD1 4.04Å; L100-Y166 HydrophobicContact CD2-CE1 3.88Å; L100-Y166 HydrophobicContact CG-CD1 4.45Å
101	T	98.9	Very high	98.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.			trans	-103.3	113.3	-177.9	-46.7	0	0	0	0	109.5	D78 H103 A109 N112 Y125 I131 Y166	D78-T101 WeakPolarHBondContact OD1-CA 3.47Å; T101-H103 WeakPolarHBondContact CG2-O 3.24Å; T101-A109 HydrophobicContact CG2-CB 3.66Å; T101-N112 PolarHBondContact OG1-ND2 3.42Å; T101-Y125 WeakPolarHBondContact CB-O 3.39Å; T101-Y125 PolarHBondContact N-O 2.81Å; T101-Y125 PolarHBondContact OG1-O 2.86Å; T101-I131 HydrophobicContact CG2-CD1 3.98Å; T101-I131 HydrophobicContact CG2-CG1 4.06Å; T101-I131 HydrophobicContact CG2-CG2 3.87Å; T101-Y166 PolarHBondContact N-OH 2.87Å; T101-Y166 PolarHBondContact O-OH 2.94Å
102	T	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.			trans	-65.1	-42.5	-175.9	60.4	0	0	0	0	111.5	V77 D78 H163 I164 Y166	V77-T102 HydrophobicContact CG1-CG2 4.01Å; D78-T102 PolarHBondContact OD1-N 2.83Å; D78-T102 PolarHBondContact OD1-OG1 3.08Å; D78-T102 VanDerWaalsContact OD2-CG2 3.22Å; D78-T102 WeakPolarHBondContact OD2-CG2 3.29Å; D78-T102 PolarHBondContact OD2-OG1 2.88Å; T102-H163 WeakPolarHBondContact O-CA 3.38Å; T102-I164 WeakPolarHBondContact CA-O 3.38Å; T102-I164 PolarHBondContact O-N 2.86Å; T102-Y166 HydrophobicContact CG2-CD2 4.27Å; T102-Y166 HydrophobicContact CG2-CE2 4.27Å
103	H	98.9	Very high	98.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.			trans	-160.4	173.6	177.4	66.8	-66.8	0	0	0	113	T101 H105 H108 H159 T160 H163 D183	T101-H103 WeakPolarHBondContact CG2-O 3.24Å; H103-H105 AromaticContact CD2-CG 3.46Å; H103-H105 VanDerWaalsContact CD2-CG 3.46Å; H103-H105 AromaticContact CD2-ND1 3.24Å; H103-H105 PolarHBondContact CD2-ND1 2.86Å; H103-H105 WeakPolarHBondContact NE2-CB 3.4Å; H103-H105 AromaticContact NE2-CG 3.46Å; H103-H105 AromaticContact NE2-ND1 3.02Å; H103-H105 PolarHBondContact NE2-ND1 3.18Å; H103-H105 PolarHBondContact O-N 2.85Å; H103-H108 AromaticContact CE1-CD2 3.13Å; H103-H108 PolarHBondContact CE1-CD2 3.44Å; H103-H108 AromaticContact CE1-CE1 3.52Å; H103-H108 AromaticContact CE1-CG 3.34Å; H103-H108 AromaticContact CE1-ND1 3.56Å; H103-H108 AromaticContact CE1-NE2 3.28Å; H103-H108 PolarHBondContact CE1-NE2 3.15Å; H103-H108 VanDerWaalsContact CE1-NE2 3.28Å; H103-H108 AromaticContact ND1-CD2 3.99Å; H103-H108 AromaticContact ND1-CG 3.75Å; H103-H108 AromaticContact ND1-ND1 3.9Å; H103-H108 AromaticContact NE2-CD2 3.62Å; H103-H108 AromaticContact NE2-NE2 3.94Å; H103-H159 AromaticContact CD2-CD2 3.75Å; H103-H159 AromaticContact CD2-NE2 3.96Å; H103-H159 AromaticContact NE2-CD2 3.57Å; H103-H159 AromaticContact NE2-NE2 3.43Å; H103-H159 PolarHBondContact NE2-NE2 2.81Å; H103-T160 HydrophobicContact CB-CG2 4.38Å; H103-T160 VanDerWaalsContact CB-OG1 3.28Å; H103-T160 WeakPolarHBondContact CB-OG1 3.38Å; H103-H163 HydrophobicContact CB-CB 4.4Å; H103-H163 AromaticContact CG-CD2 3.68Å; H103-H163 AromaticContact ND1-CD2 3.76Å; H103-H163 AromaticContact ND1-NE2 3.62Å; H103-D183 IonicContact CE1-OD1 3.41Å
104	H	98.9	Very high	98.8	Very high	38 Å²	38	34.9 Å²	34.9	18%	0.176	17%	0.168	C	C	.	.	S	Bend	trans	-80.2	-7.2	-168.1	79	-82.8	0	0	0	115.6	D128 R130 I131 E195	H104-D128 HydrophobicContact CB-CB 4.46Å; H104-D128 IonicContact ND1-OD2 3.7Å; H104-R130 HydrophobicContact CB-CB 3.69Å; H104-R130 PolarHBondContact CE1-NH1 3.26Å; H104-R130 PolarHBondContact NE2-NH1 3.46Å; H104-I131 HydrophobicContact CB-CG1 3.97Å; H104-E195 IonicContact CE1-OE1 2.76Å; H104-E195 PolarHBondContact CE1-OE1 2.88Å; H104-E195 IonicContact NE2-OE1 3.5Å
105	H	98.9	Very high	98.8	Very high	42 Å²	42	34 Å²	34	19%	0.194	16%	0.162	C	C	.	.			trans	-60	144.4	179.6	-69.7	154.2	0	0	0	110.9	H103 D107 H108 A109 H159 T160 Y194	H103-H105 AromaticContact CD2-CG 3.46Å; H103-H105 VanDerWaalsContact CD2-CG 3.46Å; H103-H105 AromaticContact CD2-ND1 3.24Å; H103-H105 PolarHBondContact CD2-ND1 2.86Å; H103-H105 WeakPolarHBondContact NE2-CB 3.4Å; H103-H105 AromaticContact NE2-CG 3.46Å; H103-H105 AromaticContact NE2-ND1 3.02Å; H103-H105 PolarHBondContact NE2-ND1 3.18Å; H103-H105 PolarHBondContact O-N 2.85Å; H105-D107 VanDerWaalsContact C-N 3.25Å; H105-D107 WeakPolarHBondContact CB-OD1 3.36Å; H105-D107 PolarHBondContact O-N 3.2Å; H105-H108 PolarHBondContact O-N 3.5Å; H105-A109 PolarHBondContact O-N 2.8Å; H105-H159 AromaticContact CE1-CD2 3.77Å; H105-H159 AromaticContact CE1-CE1 3.77Å; H105-H159 AromaticContact CE1-NE2 3.09Å; H105-H159 PolarHBondContact CE1-NE2 3.24Å; H105-H159 AromaticContact ND1-CD2 3.81Å; H105-H159 AromaticContact ND1-CE1 3.97Å; H105-H159 AromaticContact ND1-NE2 3.02Å; H105-H159 PolarHBondContact ND1-NE2 2.93Å; H105-T160 VanDerWaalsContact CE1-CG2 3.47Å; H105-T160 WeakPolarHBondContact CE1-CG2 3.42Å; H105-Y194 AromaticContact CE1-CD2 3.85Å
106	W	98.8	Very high	98.8	Very high	168 Å²	168	29.6 Å²	29.6	64%	0.636	15%	0.146	S	C	*	.	H	α-helix	trans	-60.4	-36	-169.4	172.1	86	0	0	0	112.7	L58 V80 H108 G110	L58-W106 HydrophobicContact CD1-CH2 4.35Å; L58-W106 HydrophobicContact CD1-CZ3 3.72Å; L58-W106 HydrophobicContact CD2-CH2 4.04Å; L58-W106 HydrophobicContact CD2-CZ3 4.19Å; V80-W106 HydrophobicContact CG2-CH2 4.4Å; V80-W106 HydrophobicContact CG2-CZ3 4.44Å; V80-W106 WeakPolarHBondContact CG2-O 3.27Å; W106-H108 PolarHBondContact O-N 3.21Å; W106-H108 VanDerWaalsContact O-N 3.15Å; W106-G110 WeakPolarHBondContact O-CA 3.42Å; W106-G110 PolarHBondContact O-N 2.55Å
107	D	98.8	Very high	98.8	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	18%	0.178	C	C	.	.	H	α-helix	trans	-70	-6.7	-179.9	59.4	-49	0	0	0	113.7	L58 N61 V80 H105 H222	L58-D107 HydrophobicContact CD1-CB 3.64Å; N61-D107 PolarHBondContact ND2-O 3.3Å; N61-D107 PolarHBondContact ND2-OD2 3.32Å; V80-D107 WeakPolarHBondContact CB-O 3.17Å; V80-D107 VanDerWaalsContact CG1-O 3.28Å; V80-D107 WeakPolarHBondContact CG1-O 3.32Å; H105-D107 VanDerWaalsContact C-N 3.25Å; H105-D107 WeakPolarHBondContact CB-OD1 3.36Å; H105-D107 PolarHBondContact O-N 3.2Å; D107-H222 IonicContact OD2-CE1 3.95Å; D107-H222 PolarHBondContact OD2-CE1 3.13Å; D107-H222 IonicContact OD2-NE2 2.75Å; D107-H222 PolarHBondContact OD2-NE2 3.19Å
108	H	98.9	Very high	98.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-110.9	-51	171.8	-64.2	-101.2	0	0	0	111.9	D78 H103 H105 W106 D183 H222	D78-H108 CarbonylContact C-O 3.58Å; D78-H108 WeakPolarHBondContact CA-O 3.49Å; D78-H108 HydrophobicContact CB-CB 3.92Å; D78-H108 VanDerWaalsContact CG-ND1 3.32Å; D78-H108 IonicContact OD2-CE1 3.94Å; D78-H108 IonicContact OD2-CG 3.32Å; D78-H108 IonicContact OD2-ND1 3.3Å; D78-H108 PolarHBondContact OD2-ND1 3.43Å; H103-H108 AromaticContact CE1-CD2 3.13Å; H103-H108 PolarHBondContact CE1-CD2 3.44Å; H103-H108 AromaticContact CE1-CE1 3.52Å; H103-H108 AromaticContact CE1-CG 3.34Å; H103-H108 AromaticContact CE1-ND1 3.56Å; H103-H108 AromaticContact CE1-NE2 3.28Å; H103-H108 PolarHBondContact CE1-NE2 3.15Å; H103-H108 VanDerWaalsContact CE1-NE2 3.28Å; H103-H108 AromaticContact ND1-CD2 3.99Å; H103-H108 AromaticContact ND1-CG 3.75Å; H103-H108 AromaticContact ND1-ND1 3.9Å; H103-H108 AromaticContact NE2-CD2 3.62Å; H103-H108 AromaticContact NE2-NE2 3.94Å; H105-H108 PolarHBondContact O-N 3.5Å; W106-H108 PolarHBondContact O-N 3.21Å; W106-H108 VanDerWaalsContact O-N 3.15Å; H108-D183 IonicContact CE1-OD1 3.87Å; H108-D183 PolarHBondContact CE1-OD1 3.44Å; H108-D183 IonicContact NE2-OD1 3.68Å; H108-D183 PolarHBondContact NE2-OD1 3.02Å; H108-D183 IonicContact NE2-OD2 2.86Å; H108-H222 AromaticContact NE2-NE2 3.44Å; H108-H222 PolarHBondContact NE2-NE2 2.9Å
109	A	98.8	Very high	98.7	Very high	8 Å²	8	42.1 Å²	42.1	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-93.4	-14.1	-172.8	0	0	0	0	0	114.4	T101 H105 G111 N112 I131	T101-A109 HydrophobicContact CG2-CB 3.66Å; H105-A109 PolarHBondContact O-N 2.8Å; A109-G111 PolarHBondContact O-N 2.87Å; A109-N112 WeakPolarHBondContact O-CB 3.38Å; A109-N112 VanDerWaalsContact O-CG 3.22Å; A109-N112 PolarHBondContact O-N 3.13Å; A109-N112 PolarHBondContact O-OD1 2.78Å; A109-I131 HydrophobicContact CB-CG2 4.45Å
110	G	98.6	Very high	98.5	Very high	34 Å²	34	47.7 Å²	47.7	35%	0.351	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.5	-167.8	0	0	0	0	0	114.9	W106	W106-G110 WeakPolarHBondContact O-CA 3.42Å; W106-G110 PolarHBondContact O-N 2.55Å
111	G	98.8	Very high	98.4	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-12.8	175.8	0	0	0	0	0	114.9	P79 P82 A109 E113 K114 L115	P79-G111 WeakPolarHBondContact O-CA 3.35Å; P82-G111 WeakPolarHBondContact CG-O 3.4Å; A109-G111 PolarHBondContact O-N 2.87Å; G111-E113 PolarHBondContact O-N 3.24Å; G111-K114 PolarHBondContact O-N 3.28Å; G111-K114 VanDerWaalsContact O-N 3.14Å; G111-L115 PolarHBondContact O-N 2.76Å
112	N	98.9	Very high	98.4	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.1	-52.4	-171.6	-69.5	2.6	0	0	0	112.4	P79 T101 A109 K114 L115 V116 I131 G132 A133	P79-N112 WeakPolarHBondContact CD-OD1 3.26Å; P79-N112 WeakPolarHBondContact CG-OD1 3.34Å; T101-N112 PolarHBondContact OG1-ND2 3.42Å; A109-N112 WeakPolarHBondContact O-CB 3.38Å; A109-N112 VanDerWaalsContact O-CG 3.22Å; A109-N112 PolarHBondContact O-N 3.13Å; A109-N112 PolarHBondContact O-OD1 2.78Å; N112-K114 VanDerWaalsContact C-N 3.27Å; N112-K114 PolarHBondContact O-N 2.87Å; N112-L115 PolarHBondContact O-N 3.44Å; N112-L115 VanDerWaalsContact O-N 3.1Å; N112-V116 PolarHBondContact O-N 3.25Å; N112-I131 WeakPolarHBondContact ND2-CG2 3.39Å; N112-G132 WeakPolarHBondContact CB-O 3.39Å; N112-G132 PolarHBondContact ND2-O 3.24Å; N112-G132 VanDerWaalsContact ND2-O 3.17Å; N112-A133 HydrophobicContact CB-CB 4.19Å
113	E	98.8	Very high	98.4	Very high	94 Å²	94	56.8 Å²	56.8	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-56.5	-37.4	180	-71.6	-68.9	168.9	0	0	113.6	G111 V116 K117 A133	G111-E113 PolarHBondContact O-N 3.24Å; E113-V116 WeakPolarHBondContact O-CG2 3.31Å; E113-K117 WeakPolarHBondContact O-CD 3.41Å; E113-K117 WeakPolarHBondContact O-CG 3.26Å; E113-A133 HydrophobicContact CG-CB 4.28Å; E113-A133 WeakPolarHBondContact OE1-CA 3.49Å; E113-A133 PolarHBondContact OE1-N 3.07Å
114	K	98.8	Very high	98.4	Very high	116 Å²	116	56.8 Å²	56.8	50%	0.504	30%	0.302	S	S	.	.	H	α-helix	trans	-78.5	-39.5	177.6	174.3	176.9	180	179.6	0	110.7	P82 G111 N112 K117 L118	P82-K114 HydrophobicContact CB-CD 4.5Å; P82-K114 HydrophobicContact CB-CG 4.25Å; P82-K114 HydrophobicContact CG-CB 4.04Å; P82-K114 HydrophobicContact CG-CD 4.25Å; P82-K114 HydrophobicContact CG-CG 4.1Å; G111-K114 PolarHBondContact O-N 3.28Å; G111-K114 VanDerWaalsContact O-N 3.14Å; N112-K114 VanDerWaalsContact C-N 3.27Å; N112-K114 PolarHBondContact O-N 2.87Å; K114-K117 PolarHBondContact O-N 2.91Å; K114-L118 HydrophobicContact CG-CD1 4.16Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 2.92Å; K114-L118 VanDerWaalsContact O-N 3.16Å
115	L	98.8	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-43.8	-179.6	-175.9	61.9	0	0	0	112	I76 P79 P82 V85 V86 L96 V99 G111 N112 K117 L118 Q119 L122	I76-L115 HydrophobicContact CG2-CD2 3.74Å; P79-L115 HydrophobicContact CB-CD2 3.7Å; P79-L115 HydrophobicContact CG-CD2 3.83Å; P82-L115 HydrophobicContact CB-CB 3.88Å; P82-L115 HydrophobicContact CB-CD1 3.99Å; P82-L115 HydrophobicContact CG-CB 4Å; V85-L115 HydrophobicContact CG1-CD1 4.37Å; V86-L115 HydrophobicContact CG2-CD1 4.08Å; L96-L115 HydrophobicContact CD2-CD1 4.22Å; L96-L115 HydrophobicContact CD2-CD2 4.22Å; V99-L115 HydrophobicContact CG2-CD2 3.69Å; G111-L115 PolarHBondContact O-N 2.76Å; N112-L115 PolarHBondContact O-N 3.44Å; N112-L115 VanDerWaalsContact O-N 3.1Å; L115-K117 PolarHBondContact O-N 3.02Å; L115-L118 PolarHBondContact O-N 3.41Å; L115-Q119 HydrophobicContact CD1-CG 4.41Å; L115-Q119 PolarHBondContact O-N 3Å; L115-L122 HydrophobicContact CD1-CD1 4.44Å; L115-L122 HydrophobicContact CD2-CD1 3.99Å; L115-L122 HydrophobicContact CG-CD1 3.68Å
116	V	98.6	Very high	98.4	Very high	40 Å²	40	54 Å²	54	24%	0.242	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-23.3	178.4	-61.2	0	0	0	0	113.5	N112 E113 Q119 L122 V124 A133	N112-V116 PolarHBondContact O-N 3.25Å; E113-V116 WeakPolarHBondContact O-CG2 3.31Å; V116-Q119 CarbonylContact O-C 3.59Å; V116-Q119 VanDerWaalsContact O-O 3.1Å; V116-L122 HydrophobicContact CG1-CB 4.41Å; V116-V124 HydrophobicContact CG1-CG2 3.59Å; V116-A133 HydrophobicContact CG1-CB 4.1Å; V116-A133 HydrophobicContact CG2-CB 3.91Å
117	K	98.6	Very high	98.4	Very high	168 Å²	168	46.7 Å²	46.7	73%	0.73	27%	0.266	S	S	*	.	H	α-helix	trans	-79.2	-30.4	172.2	-67.5	171.2	-173.5	171.4	0	112.3	E113 K114 L115	E113-K117 WeakPolarHBondContact O-CD 3.41Å; E113-K117 WeakPolarHBondContact O-CG 3.26Å; K114-K117 PolarHBondContact O-N 2.91Å; L115-K117 PolarHBondContact O-N 3.02Å
118	L	98.1	Very high	98.4	Very high	71 Å²	71	45.7 Å²	45.7	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-81.1	-26.9	177.2	-67.3	174.7	0	0	0	112.8	P82 V86 K114 L115	P82-L118 HydrophobicContact CB-CD1 3.91Å; V86-L118 HydrophobicContact CG2-CB 4.31Å; V86-L118 HydrophobicContact CG2-CD1 4.35Å; K114-L118 HydrophobicContact CG-CD1 4.16Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 2.92Å; K114-L118 VanDerWaalsContact O-N 3.16Å; L115-L118 PolarHBondContact O-N 3.41Å
119	Q	96.7	Very high	98.4	Very high	65 Å²	65	51.3 Å²	51.3	30%	0.304	29%	0.291	S	S	.	.	S	Bend	trans	-136.4	104.8	-176.9	-66.7	-63.5	-53.3	0	0	109.2	V86 L115 V116 L122	V86-Q119 HydrophobicContact CG2-CG 4.03Å; L115-Q119 HydrophobicContact CD1-CG 4.41Å; L115-Q119 PolarHBondContact O-N 3Å; V116-Q119 CarbonylContact O-C 3.59Å; V116-Q119 VanDerWaalsContact O-O 3.1Å; Q119-L122 HydrophobicContact CB-CD1 3.67Å; Q119-L122 HydrophobicContact CB-CD2 4.46Å; Q119-L122 HydrophobicContact CB-CG 3.93Å; Q119-L122 WeakPolarHBondContact O-CG 3Å
120	S	95.9	Very high	98.4	Very high	117 Å²	117	56.2 Å²	56.2	82%	0.818	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	145.5	178.8	56.6	0	0	0	0	111.9
121	G	96.4	Very high	98.4	Very high	76 Å²	76	54.9 Å²	54.9	78%	0.784	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	6.6	174	0	0	0	0	0	114.9
122	L	98.6	Very high	98.4	Very high	15 Å²	15	56 Å²	56	8%	0.079	30%	0.304	C	S	.	.			trans	-64.6	137.9	173.6	-69.9	-180	0	0	0	111.8	L96 V99 L115 V116 Q119	L96-L122 HydrophobicContact CB-CD2 4.32Å; L96-L122 HydrophobicContact CD2-CD1 4.36Å; L96-L122 HydrophobicContact CD2-CD2 4.18Å; L96-L122 HydrophobicContact CG-CD2 3.89Å; L96-L122 VanDerWaalsContact O-CD2 3.32Å; L96-L122 WeakPolarHBondContact O-CD2 3.48Å; V99-L122 HydrophobicContact CG2-CD1 4.1Å; L115-L122 HydrophobicContact CD1-CD1 4.44Å; L115-L122 HydrophobicContact CD2-CD1 3.99Å; L115-L122 HydrophobicContact CG-CD1 3.68Å; V116-L122 HydrophobicContact CG1-CB 4.41Å; Q119-L122 HydrophobicContact CB-CD1 3.67Å; Q119-L122 HydrophobicContact CB-CD2 4.46Å; Q119-L122 HydrophobicContact CB-CG 3.93Å; Q119-L122 WeakPolarHBondContact O-CG 3Å
123	K	98.9	Very high	98.4	Very high	101 Å²	101	57 Å²	57	44%	0.439	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.8	167.5	-60.9	179.3	-176.3	173.8	0	108.9	T97 V99 Y125	T97-K123 PolarHBondContact O-N 3.17Å; V99-K123 PolarHBondContact N-O 3.32Å; K123-Y125 HydrophobicContact CB-CD2 4.14Å; K123-Y125 HydrophobicContact CB-CE2 3.47Å; K123-Y125 VanDerWaalsContact CB-CE2 3.47Å; K123-Y125 HydrophobicContact CD-CE2 4.22Å; K123-Y125 HydrophobicContact CG-CE2 4.5Å
124	V	98.9	Very high	98.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.3	-179.5	-175.8	0	0	0	0	108.7	V99 V116 A133 L134 T135 H136	V99-V124 HydrophobicContact CB-CB 4.38Å; V99-V124 HydrophobicContact CB-CG1 4.25Å; V99-V124 HydrophobicContact CB-CG2 4.15Å; V99-V124 HydrophobicContact CG1-CG1 4.18Å; V99-V124 HydrophobicContact CG2-CG2 4.25Å; V116-V124 HydrophobicContact CG1-CG2 3.59Å; V124-A133 VanDerWaalsContact CB-O 3.25Å; V124-A133 WeakPolarHBondContact CB-O 3.47Å; V124-A133 WeakPolarHBondContact CG2-O 3.38Å; V124-L134 WeakPolarHBondContact O-CD1 3.43Å; V124-T135 PolarHBondContact N-OG1 2.84Å; V124-T135 PolarHBondContact O-N 2.98Å; V124-H136 PolarHBondContact O-N 3.46Å
125	Y	98.9	Very high	98.4	Very high	22 Å²	22	52.9 Å²	52.9	9%	0.086	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.8	179.7	-68.2	-96.5	0	0	0	111.2	T98 V99 L100 T101 K123 H136 I138 L144 Y166	T98-Y125 HydrophobicContact CG2-CD2 3.71Å; T98-Y125 HydrophobicContact CG2-CE2 3.82Å; V99-Y125 PolarHBondContact O-N 2.91Å; L100-Y125 HydrophobicContact CD2-CD2 4.33Å; L100-Y125 HydrophobicContact CD2-CG 4.38Å; T101-Y125 WeakPolarHBondContact CB-O 3.39Å; T101-Y125 PolarHBondContact N-O 2.81Å; T101-Y125 PolarHBondContact OG1-O 2.86Å; K123-Y125 HydrophobicContact CB-CD2 4.14Å; K123-Y125 HydrophobicContact CB-CE2 3.47Å; K123-Y125 VanDerWaalsContact CB-CE2 3.47Å; K123-Y125 HydrophobicContact CD-CE2 4.22Å; K123-Y125 HydrophobicContact CG-CE2 4.5Å; Y125-H136 WeakPolarHBondContact CA-O 3.49Å; Y125-H136 HydrophobicContact CD1-CB 3.47Å; Y125-H136 VanDerWaalsContact CD1-CB 3.47Å; Y125-H136 HydrophobicContact CD2-CB 4.43Å; Y125-H136 HydrophobicContact CE1-CB 3.43Å; Y125-H136 VanDerWaalsContact CE1-CB 3.43Å; Y125-H136 AromaticContact CE1-CG 3.85Å; Y125-H136 HydrophobicContact CE2-CB 4.4Å; Y125-H136 HydrophobicContact CG-CB 4Å; Y125-H136 AromaticContact CZ-CG 3.88Å; Y125-I138 HydrophobicContact CD1-CG1 4.44Å; Y125-I138 HydrophobicContact CD1-CG2 3.68Å; Y125-I138 HydrophobicContact CE1-CG2 4.17Å; Y125-L144 HydrophobicContact CD1-CD1 4.39Å; Y125-L144 HydrophobicContact CD1-CD2 4.24Å; Y125-L144 HydrophobicContact CD2-CD1 4Å; Y125-L144 HydrophobicContact CE1-CB 4.25Å; Y125-L144 HydrophobicContact CE1-CD1 4.1Å; Y125-L144 HydrophobicContact CE1-CD2 4.28Å; Y125-L144 HydrophobicContact CE1-CG 4.42Å; Y125-L144 HydrophobicContact CE2-CD1 3.67Å; Y125-L144 HydrophobicContact CG-CD1 4.34Å; Y125-Y166 PolarHBondContact O-OH 3.19Å
126	G	98.9	Very high	98.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	159.8	179	0	0	0	0	0	112	L134 H136 K137 I138	G126-L134 VanDerWaalsContact N-CD1 3.35Å; G126-H136 PolarHBondContact N-O 3.06Å; G126-K137 WeakPolarHBondContact O-CA 3.41Å; G126-I138 PolarHBondContact O-N 2.92Å
127	G	98.8	Very high	98.4	Very high	15 Å²	15	59.6 Å²	59.6	16%	0.155	33%	0.328	C	S	.	.	S	Bend	trans	-91.4	-1.7	-179	0	0	0	0	0	115.3
128	D	98.8	Very high	98.4	Very high	14 Å²	14	52.3 Å²	52.3	8%	0.075	30%	0.297	C	S	.	.			trans	-137.5	132.1	-162.4	-159	-50.3	0	0	0	111.7	H104 R130 I131 G162	H104-D128 HydrophobicContact CB-CB 4.46Å; H104-D128 IonicContact ND1-OD2 3.7Å; D128-R130 PolarHBondContact O-N 3.42Å; D128-R130 VanDerWaalsContact O-N 3.17Å; D128-R130 VanDerWaalsContact OD1-CB 3.26Å; D128-R130 WeakPolarHBondContact OD1-CB 3.22Å; D128-R130 VanDerWaalsContact OD1-CG 3.31Å; D128-R130 WeakPolarHBondContact OD1-CG 3.45Å; D128-R130 IonicContact OD1-CZ 2.62Å; D128-R130 PolarHBondContact OD1-N 2.9Å; D128-R130 IonicContact OD1-NE 3.55Å; D128-R130 PolarHBondContact OD1-NE 2.98Å; D128-R130 IonicContact OD1-NH2 3.52Å; D128-R130 IonicContact OD2-CZ 3.98Å; D128-R130 VanDerWaalsContact OD2-CZ 3.28Å; D128-R130 IonicContact OD2-NE 3.19Å; D128-R130 PolarHBondContact OD2-NE 3.44Å; D128-R130 VanDerWaalsContact OD2-NE 3.15Å; D128-R130 IonicContact OD2-NH2 3.68Å; D128-R130 PolarHBondContact OD2-NH2 3.14Å; D128-I131 HydrophobicContact CB-CD1 3.9Å; D128-I131 HydrophobicContact CB-CG1 4.14Å; D128-I131 WeakPolarHBondContact O-CB 3.43Å; D128-I131 PolarHBondContact O-N 3.17Å; D128-I131 VanDerWaalsContact O-N 3.14Å; D128-G162 WeakPolarHBondContact OD2-CA 3.39Å
129	D	98.8	Very high	98.5	Very high	119 Å²	119	53.2 Å²	53.2	64%	0.636	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	179.3	-60.8	-43	0	0	0	112.6	I131 K137	D129-I131 PolarHBondContact O-N 3.31Å; D129-K137 VanDerWaalsContact OD1-CD 3.23Å; D129-K137 WeakPolarHBondContact OD1-CD 3.43Å; D129-K137 WeakPolarHBondContact OD1-CE 3.27Å; D129-K137 IonicContact OD1-NZ 3.76Å; D129-K137 PolarHBondContact OD1-NZ 3.35Å; D129-K137 IonicContact OD2-NZ 3.17Å; D129-K137 PolarHBondContact OD2-NZ 2.97Å
130	R	98.8	Very high	98.6	Very high	111 Å²	111	54.3 Å²	54.3	42%	0.419	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-9.4	176.7	-62.7	172.7	-74.6	179.1	-1.8	113.1	H104 D128 G132 S161 E195	H104-R130 HydrophobicContact CB-CB 3.69Å; H104-R130 PolarHBondContact CE1-NH1 3.26Å; H104-R130 PolarHBondContact NE2-NH1 3.46Å; D128-R130 PolarHBondContact O-N 3.42Å; D128-R130 VanDerWaalsContact O-N 3.17Å; D128-R130 VanDerWaalsContact OD1-CB 3.26Å; D128-R130 WeakPolarHBondContact OD1-CB 3.22Å; D128-R130 VanDerWaalsContact OD1-CG 3.31Å; D128-R130 WeakPolarHBondContact OD1-CG 3.45Å; D128-R130 IonicContact OD1-CZ 2.62Å; D128-R130 PolarHBondContact OD1-N 2.9Å; D128-R130 IonicContact OD1-NE 3.55Å; D128-R130 PolarHBondContact OD1-NE 2.98Å; D128-R130 IonicContact OD1-NH2 3.52Å; D128-R130 IonicContact OD2-CZ 3.98Å; D128-R130 VanDerWaalsContact OD2-CZ 3.28Å; D128-R130 IonicContact OD2-NE 3.19Å; D128-R130 PolarHBondContact OD2-NE 3.44Å; D128-R130 VanDerWaalsContact OD2-NE 3.15Å; D128-R130 IonicContact OD2-NH2 3.68Å; D128-R130 PolarHBondContact OD2-NH2 3.14Å; R130-G132 PolarHBondContact O-N 3.11Å; R130-S161 PolarHBondContact NH2-OG 2.95Å; R130-E195 IonicContact CZ-OE1 2.76Å; R130-E195 IonicContact CZ-OE2 3.86Å; R130-E195 IonicContact NH1-OE1 3.58Å; R130-E195 PolarHBondContact NH1-OE1 3.08Å; R130-E195 IonicContact NH1-OE2 3.4Å; R130-E195 IonicContact NH2-OE1 3.21Å; R130-E195 IonicContact NH2-OE2 3.5Å; R130-E195 PolarHBondContact NH2-OE2 2.79Å
131	I	98.9	Very high	98.7	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.036	30%	0.297	C	S	.	.	S	Bend	trans	-73.6	121.9	179.2	-69.4	164.7	0	0	0	110.2	T101 H104 A109 N112 D128 D129 L134	T101-I131 HydrophobicContact CG2-CD1 3.98Å; T101-I131 HydrophobicContact CG2-CG1 4.06Å; T101-I131 HydrophobicContact CG2-CG2 3.87Å; H104-I131 HydrophobicContact CB-CG1 3.97Å; A109-I131 HydrophobicContact CB-CG2 4.45Å; N112-I131 WeakPolarHBondContact ND2-CG2 3.39Å; D128-I131 HydrophobicContact CB-CD1 3.9Å; D128-I131 HydrophobicContact CB-CG1 4.14Å; D128-I131 WeakPolarHBondContact O-CB 3.43Å; D128-I131 PolarHBondContact O-N 3.17Å; D128-I131 VanDerWaalsContact O-N 3.14Å; D129-I131 PolarHBondContact O-N 3.31Å; I131-L134 HydrophobicContact CB-CB 4.4Å; I131-L134 HydrophobicContact CB-CD1 4.45Å; I131-L134 HydrophobicContact CG2-CB 4.28Å; I131-L134 HydrophobicContact CG2-CD1 4.22Å; I131-L134 WeakPolarHBondContact O-CB 3.37Å; I131-L134 PolarHBondContact O-N 3.18Å
132	G	98.6	Very high	98.8	Very high	25 Å²	25	51.6 Å²	51.6	26%	0.258	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	145.1	175.9	0	0	0	0	0	112.8	N112 R130 L134	N112-G132 WeakPolarHBondContact CB-O 3.39Å; N112-G132 PolarHBondContact ND2-O 3.24Å; N112-G132 VanDerWaalsContact ND2-O 3.17Å; R130-G132 PolarHBondContact O-N 3.11Å; G132-L134 PolarHBondContact O-N 3.35Å; G132-L134 VanDerWaalsContact O-N 3.1Å
133	A	98.7	Very high	98.8	Very high	20 Å²	20	55.3 Å²	55.3	17%	0.165	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	20.9	-176.2	0	0	0	0	0	116.1	N112 E113 V116 V124 T135	N112-A133 HydrophobicContact CB-CB 4.19Å; E113-A133 HydrophobicContact CG-CB 4.28Å; E113-A133 WeakPolarHBondContact OE1-CA 3.49Å; E113-A133 PolarHBondContact OE1-N 3.07Å; V116-A133 HydrophobicContact CG1-CB 4.1Å; V116-A133 HydrophobicContact CG2-CB 3.91Å; V124-A133 VanDerWaalsContact CB-O 3.25Å; V124-A133 WeakPolarHBondContact CB-O 3.47Å; V124-A133 WeakPolarHBondContact CG2-O 3.38Å; A133-T135 PolarHBondContact O-N 3.49Å
134	L	98.9	Very high	98.8	Very high	43 Å²	43	51.2 Å²	51.2	23%	0.225	28%	0.277	C	S	.	.			trans	-56.9	128.2	178.4	-173.7	72.1	0	0	0	111	V124 G126 I131 G132 K137	V124-L134 WeakPolarHBondContact O-CD1 3.43Å; G126-L134 VanDerWaalsContact N-CD1 3.35Å; I131-L134 HydrophobicContact CB-CB 4.4Å; I131-L134 HydrophobicContact CB-CD1 4.45Å; I131-L134 HydrophobicContact CG2-CB 4.28Å; I131-L134 HydrophobicContact CG2-CD1 4.22Å; I131-L134 WeakPolarHBondContact O-CB 3.37Å; I131-L134 PolarHBondContact O-N 3.18Å; G132-L134 PolarHBondContact O-N 3.35Å; G132-L134 VanDerWaalsContact O-N 3.1Å; L134-K137 HydrophobicContact CD2-CB 3.99Å; L134-K137 HydrophobicContact CD2-CG 4.24Å
135	T	98.8	Very high	98.8	Very high	81 Å²	81	55.9 Å²	55.9	50%	0.497	30%	0.299	S	S	.	.			trans	-117.1	-22.5	175	61.9	0	0	0	0	113.1	V124 A133	V124-T135 PolarHBondContact N-OG1 2.84Å; V124-T135 PolarHBondContact O-N 2.98Å; A133-T135 PolarHBondContact O-N 3.49Å
136	H	98.9	Very high	98.8	Very high	70 Å²	70	55 Å²	55	32%	0.324	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	92.7	-179	-66	72.3	0	0	0	110	V124 Y125 G126 I138	V124-H136 PolarHBondContact O-N 3.46Å; Y125-H136 WeakPolarHBondContact CA-O 3.49Å; Y125-H136 HydrophobicContact CD1-CB 3.47Å; Y125-H136 VanDerWaalsContact CD1-CB 3.47Å; Y125-H136 HydrophobicContact CD2-CB 4.43Å; Y125-H136 HydrophobicContact CE1-CB 3.43Å; Y125-H136 VanDerWaalsContact CE1-CB 3.43Å; Y125-H136 AromaticContact CE1-CG 3.85Å; Y125-H136 HydrophobicContact CE2-CB 4.4Å; Y125-H136 HydrophobicContact CG-CB 4Å; Y125-H136 AromaticContact CZ-CG 3.88Å; G126-H136 PolarHBondContact N-O 3.06Å; H136-I138 PolarHBondContact O-N 3.42Å
137	K	98.8	Very high	98.8	Very high	111 Å²	111	56 Å²	56	48%	0.483	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.2	171.5	-166.3	176.9	-171.1	-177.7	0	109.7	G126 D129 L134	G126-K137 WeakPolarHBondContact O-CA 3.41Å; D129-K137 VanDerWaalsContact OD1-CD 3.23Å; D129-K137 WeakPolarHBondContact OD1-CD 3.43Å; D129-K137 WeakPolarHBondContact OD1-CE 3.27Å; D129-K137 IonicContact OD1-NZ 3.76Å; D129-K137 PolarHBondContact OD1-NZ 3.35Å; D129-K137 IonicContact OD2-NZ 3.17Å; D129-K137 PolarHBondContact OD2-NZ 2.97Å; L134-K137 HydrophobicContact CD2-CB 3.99Å; L134-K137 HydrophobicContact CD2-CG 4.24Å
138	I	98.8	Very high	98.7	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.077	31%	0.31	C	S	.	.			trans	-121.2	165	179.9	49.4	67.3	0	0	0	111.3	Y125 G126 H136 C153 I164	Y125-I138 HydrophobicContact CD1-CG1 4.44Å; Y125-I138 HydrophobicContact CD1-CG2 3.68Å; Y125-I138 HydrophobicContact CE1-CG2 4.17Å; G126-I138 PolarHBondContact O-N 2.92Å; H136-I138 PolarHBondContact O-N 3.42Å; I138-C153 HydrophobicContact CD1-CB 4.01Å; I138-C153 HydrophobicContact CG1-CB 4.45Å; I138-I164 HydrophobicContact CD1-CB 4.22Å; I138-I164 HydrophobicContact CD1-CD1 3.85Å; I138-I164 HydrophobicContact CD1-CG1 3.56Å; I138-I164 HydrophobicContact CD1-CG2 3.89Å
139	T	98.8	Very high	98.7	Very high	91 Å²	91	56.1 Å²	56.1	56%	0.558	31%	0.306	S	S	*	.			trans	-135.2	-178.8	179.4	59	0	0	0	0	110.5	L141 S142	T139-L141 PolarHBondContact O-N 2.79Å; T139-S142 PolarHBondContact N-OG 2.62Å; T139-S142 VanDerWaalsContact O-CB 3.27Å; T139-S142 WeakPolarHBondContact O-CB 3.45Å; T139-S142 PolarHBondContact O-N 3.37Å; T139-S142 PolarHBondContact O-OG 2.93Å; T139-S142 PolarHBondContact OG1-OG 2.98Å
140	H	98.8	Very high	98.7	Very high	87 Å²	87	52.3 Å²	52.3	40%	0.403	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	130.8	177.5	-164.2	68.1	0	0	0	111.4	S142 A155	H140-S142 PolarHBondContact O-N 2.79Å; H140-A155 HydrophobicContact CB-CB 3.7Å; H140-A155 PolarHBondContact ND1-N 2.65Å
141	L	98.8	Very high	98.7	Very high	104 Å²	104	47.1 Å²	47.1	55%	0.545	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	7.2	-177.9	-50.1	176.3	0	0	0	116.3	T139 K152 C153 L154	T139-L141 PolarHBondContact O-N 2.79Å; L141-K152 HydrophobicContact CD2-CD 4.2Å; L141-C153 WeakPolarHBondContact CA-O 3.44Å; L141-C153 PolarHBondContact N-O 2.94Å; L141-L154 HydrophobicContact CD2-CD2 4.2Å
142	S	98.8	Very high	98.7	Very high	32 Å²	32	50.8 Å²	50.8	22%	0.224	28%	0.282	C	S	.	.			trans	-55.7	144.5	164.1	-64.5	0	0	0	0	109.9	T139 H140 C153	T139-S142 PolarHBondContact N-OG 2.62Å; T139-S142 VanDerWaalsContact O-CB 3.27Å; T139-S142 WeakPolarHBondContact O-CB 3.45Å; T139-S142 PolarHBondContact O-N 3.37Å; T139-S142 PolarHBondContact O-OG 2.93Å; T139-S142 PolarHBondContact OG1-OG 2.98Å; H140-S142 PolarHBondContact O-N 2.79Å; S142-C153 WeakPolarHBondContact O-CB 3.2Å; S142-C153 PolarHBondContact O-N 3.5Å
143	T	98.8	Very high	98.7	Very high	93 Å²	93	49.6 Å²	49.6	57%	0.571	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.6	177.9	56.3	0	0	0	0	111.2	V151 K152	T143-V151 VanDerWaalsContact CA-O 3.28Å; T143-V151 WeakPolarHBondContact CA-O 3.33Å; T143-K152 HydrophobicContact CG2-CB 4.49Å; T143-K152 HydrophobicContact CG2-CG 4.41Å
144	L	98.8	Very high	98.7	Very high	15 Å²	15	49 Å²	49	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	177.1	170.6	66.7	141.3	0	0	0	109.6	T98 L100 Y125 V151	T98-L144 HydrophobicContact CG2-CD1 3.91Å; L100-L144 HydrophobicContact CD2-CD1 4.07Å; Y125-L144 HydrophobicContact CD1-CD1 4.39Å; Y125-L144 HydrophobicContact CD1-CD2 4.24Å; Y125-L144 HydrophobicContact CD2-CD1 4Å; Y125-L144 HydrophobicContact CE1-CB 4.25Å; Y125-L144 HydrophobicContact CE1-CD1 4.1Å; Y125-L144 HydrophobicContact CE1-CD2 4.28Å; Y125-L144 HydrophobicContact CE1-CG 4.42Å; Y125-L144 HydrophobicContact CE2-CD1 3.67Å; Y125-L144 HydrophobicContact CG-CD1 4.34Å; L144-V151 HydrophobicContact CD2-CB 3.94Å; L144-V151 HydrophobicContact CD2-CG1 4.01Å; L144-V151 HydrophobicContact CG-CB 3.9Å; L144-V151 HydrophobicContact CG-CG1 4.46Å; L144-V151 HydrophobicContact CG-CG2 4.38Å; L144-V151 PolarHBondContact N-O 2.91Å; L144-V151 PolarHBondContact O-N 3.25Å
145	Q	98.7	Very high	98.8	Very high	99 Å²	99	48.3 Å²	48.3	46%	0.463	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148	177.5	-63.9	-70.8	-28.3	0	0	110.1	L149	Q145-L149 WeakPolarHBondContact CA-O 3.44Å; Q145-L149 PolarHBondContact OE1-O 3.48Å
146	V	98.6	Very high	98.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	99.4	166	-179	0	0	0	0	105.5	E73 A75 T98 S148 L149 V151	E73-V146 HydrophobicContact CB-CG1 4.44Å; A75-V146 HydrophobicContact CB-CG1 4.1Å; A75-V146 HydrophobicContact CB-CG2 3.78Å; T98-V146 HydrophobicContact CG2-CG2 4.43Å; V146-S148 PolarHBondContact O-N 2.96Å; V146-L149 PolarHBondContact N-O 2.85Å; V146-L149 WeakPolarHBondContact O-CB 3.36Å; V146-L149 PolarHBondContact O-N 2.9Å; V146-V151 HydrophobicContact CG2-CG2 3.93Å
147	G	98.3	Very high	98.8	Very high	23 Å²	23	43.3 Å²	43.3	24%	0.237	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-123.1	-166.7	0	0	0	0	0	112.2	D68 T71 E73	D68-G147 WeakPolarHBondContact OD2-CA 3.38Å; T71-G147 VanDerWaalsContact OG1-CA 3.24Å; T71-G147 WeakPolarHBondContact OG1-CA 3.38Å; E73-G147 PolarHBondContact OE2-N 3.37Å
148	S	98.1	Very high	98.8	Very high	31 Å²	31	38 Å²	38	22%	0.217	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.8	174.5	72.8	0	0	0	0	114.9	D68 E70 V146	D68-S148 PolarHBondContact OD1-OG 3Å; D68-S148 PolarHBondContact OD2-N 3.15Å; E70-S148 WeakPolarHBondContact OE2-CB 3.13Å; E70-S148 PolarHBondContact OE2-OG 3.45Å; V146-S148 PolarHBondContact O-N 2.96Å
149	L	98.6	Very high	98.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.7	177.8	-56.3	177	0	0	0	111.5	M50 V66 D68 Q145 V146 V168 K170	M50-L149 HydrophobicContact CB-CD1 4.23Å; M50-L149 HydrophobicContact CB-CD2 3.95Å; M50-L149 HydrophobicContact CG-CD1 3.77Å; M50-L149 HydrophobicContact CG-CD2 4.3Å; M50-L149 HydrophobicContact SD-CD1 4.12Å; M50-L149 HydrophobicContact SD-CD2 4.48Å; V66-L149 HydrophobicContact CG1-CD1 4.25Å; D68-L149 HydrophobicContact CB-CD1 3.84Å; D68-L149 HydrophobicContact CB-CG 3.83Å; Q145-L149 WeakPolarHBondContact CA-O 3.44Å; Q145-L149 PolarHBondContact OE1-O 3.48Å; V146-L149 PolarHBondContact N-O 2.85Å; V146-L149 WeakPolarHBondContact O-CB 3.36Å; V146-L149 PolarHBondContact O-N 2.9Å; L149-V168 HydrophobicContact CB-CG1 4.09Å; L149-V168 HydrophobicContact CD1-CG1 4.3Å; L149-K170 HydrophobicContact CD2-CB 4.09Å
150	N	98.8	Very high	98.8	Very high	39 Å²	39	33.2 Å²	33.2	21%	0.209	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.7	174.4	-175.5	-1.3	0	0	0	110.5	V168 S169 P171	N150-V168 WeakPolarHBondContact O-CA 3.44Å; N150-S169 PolarHBondContact N-O 2.94Å; N150-S169 PolarHBondContact O-N 2.69Å; N150-P171 HydrophobicContact CB-CG 3.78Å
151	V	98.9	Very high	98.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.5	173.8	-172.9	0	0	0	0	109.5	L100 T143 L144 V146 Y166 F167 V168	L100-V151 HydrophobicContact CD1-CG1 4.26Å; T143-V151 VanDerWaalsContact CA-O 3.28Å; T143-V151 WeakPolarHBondContact CA-O 3.33Å; L144-V151 HydrophobicContact CD2-CB 3.94Å; L144-V151 HydrophobicContact CD2-CG1 4.01Å; L144-V151 HydrophobicContact CG-CB 3.9Å; L144-V151 HydrophobicContact CG-CG1 4.46Å; L144-V151 HydrophobicContact CG-CG2 4.38Å; L144-V151 PolarHBondContact N-O 2.91Å; L144-V151 PolarHBondContact O-N 3.25Å; V146-V151 HydrophobicContact CG2-CG2 3.93Å; V151-Y166 HydrophobicContact CG1-CD1 3.88Å; V151-Y166 HydrophobicContact CG1-CG 4.38Å; V151-F167 CarbonylContact C-O 3.55Å; V151-F167 WeakPolarHBondContact CA-O 3.28Å; V151-V168 HydrophobicContact CB-CG2 4.5Å; V151-V168 HydrophobicContact CG1-CG2 4.15Å; V151-V168 HydrophobicContact CG2-CG1 4.29Å; V151-V168 HydrophobicContact CG2-CG2 4.02Å
152	K	98.9	Very high	98.8	Very high	84 Å²	84	27.9 Å²	27.9	37%	0.365	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.9	171.7	-174.9	-178.4	-65.3	175.5	0	110	L141 T143 L154 F167	L141-K152 HydrophobicContact CD2-CD 4.2Å; T143-K152 HydrophobicContact CG2-CB 4.49Å; T143-K152 HydrophobicContact CG2-CG 4.41Å; K152-L154 HydrophobicContact CD-CD2 4.04Å; K152-L154 HydrophobicContact CG-CD2 4.11Å; K152-F167 HydrophobicContact CB-CB 4.45Å; K152-F167 HydrophobicContact CB-CD1 4.42Å; K152-F167 PolarHBondContact N-O 3.22Å; K152-F167 PolarHBondContact O-N 3.17Å
153	C	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.8	177.7	-57.1	0	0	0	0	110.3	I138 L141 S142 I164	I138-C153 HydrophobicContact CD1-CB 4.01Å; I138-C153 HydrophobicContact CG1-CB 4.45Å; L141-C153 WeakPolarHBondContact CA-O 3.44Å; L141-C153 PolarHBondContact N-O 2.94Å; S142-C153 WeakPolarHBondContact O-CB 3.2Å; S142-C153 PolarHBondContact O-N 3.5Å; C153-I164 HydrophobicContact CB-CG2 3.89Å
154	L	98.9	Very high	98.8	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.047	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	104.1	-178.7	-58.5	177.8	0	0	0	108.8	L141 K152 T156 I164 C165 F167 V208 L209 L212	L141-L154 HydrophobicContact CD2-CD2 4.2Å; K152-L154 HydrophobicContact CD-CD2 4.04Å; K152-L154 HydrophobicContact CG-CD2 4.11Å; L154-T156 PolarHBondContact O-N 2.63Å; L154-I164 WeakPolarHBondContact O-CA 3.47Å; L154-C165 HydrophobicContact CB-CB 4.28Å; L154-C165 PolarHBondContact N-O 2.98Å; L154-C165 PolarHBondContact O-N 3.3Å; L154-F167 HydrophobicContact CD1-CB 3.96Å; L154-F167 HydrophobicContact CG-CB 4.49Å; L154-V208 HydrophobicContact CB-CG1 3.82Å; L154-V208 HydrophobicContact CD1-CG1 4.24Å; L154-V208 HydrophobicContact CD2-CG1 4.41Å; L154-V208 HydrophobicContact CG-CG1 4.38Å; L154-L209 HydrophobicContact CD1-CD2 4.32Å; L154-L212 HydrophobicContact CD1-CD1 3.96Å; L154-L212 HydrophobicContact CD1-CD2 4.14Å; L154-L212 HydrophobicContact CD1-CG 4.47Å
155	A	98.9	Very high	98.8	Very high	28 Å²	28	21.5 Å²	21.5	23%	0.231	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	128.1	171.4	0	0	0	0	0	111.3	H140 I164	H140-A155 HydrophobicContact CB-CB 3.7Å; H140-A155 PolarHBondContact ND1-N 2.65Å; A155-I164 HydrophobicContact CB-CD1 3.92Å
156	T	98.9	Very high	98.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.108	C	C	.	.			trans	-135.5	58.8	-179.2	48.3	0	0	0	0	109.8	L154 C158 H163 C165 T184 A204 V208 L209	L154-T156 PolarHBondContact O-N 2.63Å; T156-C158 PolarHBondContact O-N 3.36Å; T156-H163 PolarHBondContact N-O 3.14Å; T156-H163 PolarHBondContact OG1-ND1 2.56Å; T156-C165 HydrophobicContact CG2-CB 4.4Å; T156-C165 PolarHBondContact OG1-SG 3.23Å; T156-T184 HydrophobicContact CG2-CG2 4.31Å; T156-T184 PolarHBondContact O-OG1 2.91Å; T156-T184 PolarHBondContact OG1-OG1 2.72Å; T156-T184 VanDerWaalsContact OG1-OG1 3.1Å; T156-A204 HydrophobicContact CG2-CB 3.93Å; T156-V208 HydrophobicContact CG2-CB 4.4Å; T156-V208 HydrophobicContact CG2-CG1 4.03Å; T156-L209 HydrophobicContact CG2-CD2 4.46Å; T156-L209 HydrophobicContact CG2-CG 4.26Å
157	P	98.9	Very high	98.8	Very high	46 Å²	46	17.6 Å²	17.6	30%	0.299	11%	0.111	S	C	.	.			trans	-59.6	130.4	-177.8	27.9	-35.2	0	0	0	109.5	T160 S161 E200	P157-T160 WeakPolarHBondContact CA-O 3.22Å; P157-S161 WeakPolarHBondContact CB-O 3.33Å; P157-E200 WeakPolarHBondContact O-CB 3.36Å
158	C	98.8	Very high	98.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	178.4	-61	163	-179.4	0	0	0	0	109.4	T156 T160 F193 E195 G196 T197 E200 M201	T156-C158 PolarHBondContact O-N 3.36Å; C158-T160 VanDerWaalsContact C-N 3.32Å; C158-T160 PolarHBondContact N-O 2.98Å; C158-T160 PolarHBondContact O-N 3.02Å; C158-F193 WeakPolarHBondContact SG-CD1 3.42Å; C158-F193 WeakPolarHBondContact SG-CG 3.44Å; C158-E195 CarbonylContact O-C 3.58Å; C158-E195 PolarHBondContact O-N 2.74Å; C158-G196 PolarHBondContact O-N 2.97Å; C158-G196 VanDerWaalsContact O-N 3.09Å; C158-T197 PolarHBondContact SG-O 2.98Å; C158-E200 HydrophobicContact CB-CB 4.21Å; C158-M201 HydrophobicContact CB-CB 4.24Å; C158-M201 HydrophobicContact CB-CE 3.85Å; C158-M201 HydrophobicContact CB-SD 4.49Å
159	H	98.8	Very high	98.8	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	10%	0.1	C	C	.	.	S	Bend	trans	-58.3	-49.8	176.2	177.2	71.8	0	0	0	110.6	H103 H105 D183 K192 Y194 E195	H103-H159 AromaticContact CD2-CD2 3.75Å; H103-H159 AromaticContact CD2-NE2 3.96Å; H103-H159 AromaticContact NE2-CD2 3.57Å; H103-H159 AromaticContact NE2-NE2 3.43Å; H103-H159 PolarHBondContact NE2-NE2 2.81Å; H105-H159 AromaticContact CE1-CD2 3.77Å; H105-H159 AromaticContact CE1-CE1 3.77Å; H105-H159 AromaticContact CE1-NE2 3.09Å; H105-H159 PolarHBondContact CE1-NE2 3.24Å; H105-H159 AromaticContact ND1-CD2 3.81Å; H105-H159 AromaticContact ND1-CE1 3.97Å; H105-H159 AromaticContact ND1-NE2 3.02Å; H105-H159 PolarHBondContact ND1-NE2 2.93Å; H159-D183 WeakPolarHBondContact CD2-CB 3.33Å; H159-D183 IonicContact CE1-OD2 2.72Å; H159-D183 WeakPolarHBondContact NE2-CB 3.15Å; H159-D183 IonicContact NE2-OD2 3.93Å; H159-K192 WeakPolarHBondContact CA-O 3.47Å; H159-K192 PolarHBondContact ND1-O 2.87Å; H159-Y194 AromaticContact CE1-CD2 3.4Å; H159-Y194 VanDerWaalsContact CE1-CD2 3.4Å; H159-Y194 WeakPolarHBondContact CE1-CD2 3.27Å; H159-Y194 AromaticContact CE1-CE2 3.39Å; H159-Y194 WeakPolarHBondContact CE1-CE2 3.42Å; H159-Y194 AromaticContact ND1-CD2 3.62Å; H159-Y194 AromaticContact ND1-CE2 3.94Å; H159-Y194 WeakPolarHBondContact O-CB 3.45Å; H159-E195 PolarHBondContact O-N 3.46Å
160	T	98.9	Very high	98.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-129.4	153.7	159.6	62.8	0	0	0	0	108.9	H103 H105 P157 C158 G162 H163 E195	H103-T160 HydrophobicContact CB-CG2 4.38Å; H103-T160 VanDerWaalsContact CB-OG1 3.28Å; H103-T160 WeakPolarHBondContact CB-OG1 3.38Å; H105-T160 VanDerWaalsContact CE1-CG2 3.47Å; H105-T160 WeakPolarHBondContact CE1-CG2 3.42Å; P157-T160 WeakPolarHBondContact CA-O 3.22Å; C158-T160 VanDerWaalsContact C-N 3.32Å; C158-T160 PolarHBondContact N-O 2.98Å; C158-T160 PolarHBondContact O-N 3.02Å; T160-G162 VanDerWaalsContact C-N 3.29Å; T160-G162 PolarHBondContact O-N 3.32Å; T160-H163 WeakPolarHBondContact O-CB 3.4Å; T160-H163 PolarHBondContact O-N 2.88Å; T160-H163 PolarHBondContact OG1-N 3.14Å; T160-E195 WeakPolarHBondContact CA-OE2 3.37Å
161	S	98.8	Very high	98.6	Very high	69 Å²	69	20 Å²	20	48%	0.483	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.3	179.1	50.8	0	0	0	0	113.6	R130 P157 E195	R130-S161 PolarHBondContact NH2-OG 2.95Å; P157-S161 WeakPolarHBondContact CB-O 3.33Å; S161-E195 WeakPolarHBondContact CB-OE2 3.26Å; S161-E195 PolarHBondContact N-OE2 3.27Å; S161-E195 PolarHBondContact OG-OE2 3.18Å
162	G	98.7	Very high	98.3	Very high	11 Å²	11	24.3 Å²	24.3	11%	0.113	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	17.7	177.7	0	0	0	0	0	115.5	D128 T160	D128-G162 WeakPolarHBondContact OD2-CA 3.39Å; T160-G162 VanDerWaalsContact C-N 3.29Å; T160-G162 PolarHBondContact O-N 3.32Å
163	H	98.9	Very high	97.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	17%	0.165	C	C	.	.			trans	-68.7	132.5	-174.9	-161.6	-64.6	0	0	0	112.1	T102 H103 T156 T160 T181 D183 T184	T102-H163 WeakPolarHBondContact O-CA 3.38Å; H103-H163 HydrophobicContact CB-CB 4.4Å; H103-H163 AromaticContact CG-CD2 3.68Å; H103-H163 AromaticContact ND1-CD2 3.76Å; H103-H163 AromaticContact ND1-NE2 3.62Å; T156-H163 PolarHBondContact N-O 3.14Å; T156-H163 PolarHBondContact OG1-ND1 2.56Å; T160-H163 WeakPolarHBondContact O-CB 3.4Å; T160-H163 PolarHBondContact O-N 2.88Å; T160-H163 PolarHBondContact OG1-N 3.14Å; H163-T181 PolarHBondContact CE1-O 3.4Å; H163-D183 PolarHBondContact NE2-N 2.97Å; H163-D183 VanDerWaalsContact NE2-N 3.15Å; H163-T184 PolarHBondContact CE1-OG1 3.07Å; H163-T184 VanDerWaalsContact CE1-OG1 3.28Å; H163-T184 PolarHBondContact ND1-OG1 2.67Å; H163-T184 VanDerWaalsContact ND1-OG1 3.09Å
164	I	98.9	Very high	97.6	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.8	177	-57.6	-68.2	0	0	0	109.5	T102 I138 C153 L154 A155 Y166	T102-I164 WeakPolarHBondContact CA-O 3.38Å; T102-I164 PolarHBondContact O-N 2.86Å; I138-I164 HydrophobicContact CD1-CB 4.22Å; I138-I164 HydrophobicContact CD1-CD1 3.85Å; I138-I164 HydrophobicContact CD1-CG1 3.56Å; I138-I164 HydrophobicContact CD1-CG2 3.89Å; C153-I164 HydrophobicContact CB-CG2 3.89Å; L154-I164 WeakPolarHBondContact O-CA 3.47Å; A155-I164 HydrophobicContact CB-CD1 3.92Å; I164-Y166 HydrophobicContact CB-CE2 4.46Å; I164-Y166 HydrophobicContact CG2-CD1 4.14Å; I164-Y166 HydrophobicContact CG2-CD2 4.47Å; I164-Y166 HydrophobicContact CG2-CE1 3.78Å; I164-Y166 HydrophobicContact CG2-CE2 4.14Å; I164-Y166 HydrophobicContact CG2-CG 4.48Å
165	C	98.9	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.2	161.6	-61.5	0	0	0	0	110.2	L154 T156 V179 F180 L209	L154-C165 HydrophobicContact CB-CB 4.28Å; L154-C165 PolarHBondContact N-O 2.98Å; L154-C165 PolarHBondContact O-N 3.3Å; T156-C165 HydrophobicContact CG2-CB 4.4Å; T156-C165 PolarHBondContact OG1-SG 3.23Å; C165-V179 HydrophobicContact CB-CG2 4.22Å; C165-F180 CarbonylContact C-O 3.59Å; C165-F180 WeakPolarHBondContact CA-O 3.29Å; C165-L209 HydrophobicContact CB-CD2 3.94Å
166	Y	99	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.5	178.7	-62.3	-81.4	0	0	0	110.3	L100 T101 T102 Y125 V151 I164 V179 F180	L100-Y166 HydrophobicContact CB-CD1 4.36Å; L100-Y166 HydrophobicContact CB-CD2 3.85Å; L100-Y166 HydrophobicContact CB-CE1 4.23Å; L100-Y166 HydrophobicContact CB-CE2 3.7Å; L100-Y166 HydrophobicContact CB-CG 4.17Å; L100-Y166 HydrophobicContact CD1-CD1 4.25Å; L100-Y166 HydrophobicContact CD1-CG 4.09Å; L100-Y166 HydrophobicContact CD2-CD1 4.04Å; L100-Y166 HydrophobicContact CD2-CE1 3.88Å; L100-Y166 HydrophobicContact CG-CD1 4.45Å; T101-Y166 PolarHBondContact N-OH 2.87Å; T101-Y166 PolarHBondContact O-OH 2.94Å; T102-Y166 HydrophobicContact CG2-CD2 4.27Å; T102-Y166 HydrophobicContact CG2-CE2 4.27Å; Y125-Y166 PolarHBondContact O-OH 3.19Å; V151-Y166 HydrophobicContact CG1-CD1 3.88Å; V151-Y166 HydrophobicContact CG1-CG 4.38Å; I164-Y166 HydrophobicContact CB-CE2 4.46Å; I164-Y166 HydrophobicContact CG2-CD1 4.14Å; I164-Y166 HydrophobicContact CG2-CD2 4.47Å; I164-Y166 HydrophobicContact CG2-CE1 3.78Å; I164-Y166 HydrophobicContact CG2-CE2 4.14Å; I164-Y166 HydrophobicContact CG2-CG 4.48Å; Y166-V179 WeakPolarHBondContact O-CA 3.5Å; Y166-F180 PolarHBondContact N-O 3.21Å; Y166-F180 PolarHBondContact O-N 3.49Å
167	F	98.9	Very high	97.1	Very high	20 Å²	20	30.4 Å²	30.4	9%	0.088	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116	174.4	176.5	-101.7	0	0	0	109.6	V151 K152 L154 P177 A178 V179 L212 T216	V151-F167 CarbonylContact C-O 3.55Å; V151-F167 WeakPolarHBondContact CA-O 3.28Å; K152-F167 HydrophobicContact CB-CB 4.45Å; K152-F167 HydrophobicContact CB-CD1 4.42Å; K152-F167 PolarHBondContact N-O 3.22Å; K152-F167 PolarHBondContact O-N 3.17Å; L154-F167 HydrophobicContact CD1-CB 3.96Å; L154-F167 HydrophobicContact CG-CB 4.49Å; F167-P177 HydrophobicContact CD2-CB 4.36Å; F167-P177 HydrophobicContact CE1-CB 4.34Å; F167-P177 HydrophobicContact CE2-CB 3.43Å; F167-P177 VanDerWaalsContact CE2-CB 3.43Å; F167-P177 HydrophobicContact CE2-CG 3.56Å; F167-P177 HydrophobicContact CZ-CB 3.41Å; F167-P177 VanDerWaalsContact CZ-CB 3.41Å; F167-P177 HydrophobicContact CZ-CG 3.62Å; F167-A178 CarbonylContact C-O 3.21Å; F167-A178 WeakPolarHBondContact CA-O 3.24Å; F167-V179 HydrophobicContact CB-CG2 4.5Å; F167-V179 HydrophobicContact CD2-CB 4.36Å; F167-L212 HydrophobicContact CD2-CD1 3.79Å; F167-L212 HydrophobicContact CD2-CD2 3.88Å; F167-L212 HydrophobicContact CD2-CG 4.36Å; F167-L212 HydrophobicContact CE2-CD1 4.32Å; F167-L212 HydrophobicContact CE2-CD2 4.03Å; F167-L212 HydrophobicContact CG-CD1 4.49Å; F167-L212 HydrophobicContact CG-CD2 4.17Å; F167-L212 HydrophobicContact CZ-CD2 4.47Å; F167-T216 HydrophobicContact CD2-CG2 4.09Å; F167-T216 HydrophobicContact CE2-CG2 3.85Å
168	V	98.8	Very high	97.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.8	-176.8	-170.1	0	0	0	0	109.4	M50 V66 L149 N150 V151 P177 A178 F180	M50-V168 HydrophobicContact SD-CB 4.08Å; M50-V168 HydrophobicContact SD-CG1 3.54Å; M50-V168 VanDerWaalsContact SD-CG1 3.54Å; V66-V168 HydrophobicContact CG1-CG1 4.32Å; L149-V168 HydrophobicContact CB-CG1 4.09Å; L149-V168 HydrophobicContact CD1-CG1 4.3Å; N150-V168 WeakPolarHBondContact O-CA 3.44Å; V151-V168 HydrophobicContact CB-CG2 4.5Å; V151-V168 HydrophobicContact CG1-CG2 4.15Å; V151-V168 HydrophobicContact CG2-CG1 4.29Å; V151-V168 HydrophobicContact CG2-CG2 4.02Å; V168-P177 WeakPolarHBondContact O-CA 3.23Å; V168-P177 WeakPolarHBondContact O-CB 3.36Å; V168-A178 PolarHBondContact N-O 2.93Å; V168-A178 PolarHBondContact O-N 3.15Å; V168-F180 HydrophobicContact CB-CE2 4.29Å; V168-F180 HydrophobicContact CG2-CD2 3.9Å; V168-F180 HydrophobicContact CG2-CE2 3.6Å
169	S	98.1	Very high	97.1	Very high	29 Å²	29	28.2 Å²	28.2	20%	0.203	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	156.2	-178.8	59	0	0	0	0	110.2	N150 P171	N150-S169 PolarHBondContact N-O 2.94Å; N150-S169 PolarHBondContact O-N 2.69Å; S169-P171 WeakPolarHBondContact O-CD 3.44Å
170	K	97.2	Very high	97.1	Very high	36 Å²	36	28 Å²	28	16%	0.157	20%	0.202	C	C	.	.			trans	-98.2	112.5	168.8	-176.1	165.5	-178.2	166.4	0	110.9	T49 E70 L149 G172 G173	T49-K170 VanDerWaalsContact CG2-NZ 3.34Å; T49-K170 WeakPolarHBondContact OG1-CD 3.43Å; T49-K170 WeakPolarHBondContact OG1-CE 3.33Å; T49-K170 PolarHBondContact OG1-NZ 3.34Å; E70-K170 WeakPolarHBondContact OE1-CE 3.38Å; E70-K170 IonicContact OE1-NZ 3.74Å; E70-K170 PolarHBondContact OE1-NZ 3.02Å; E70-K170 IonicContact OE2-NZ 3.92Å; L149-K170 HydrophobicContact CD2-CB 4.09Å; K170-G172 PolarHBondContact O-N 3.09Å; K170-G173 PolarHBondContact O-N 3.43Å
171	P	95.7	Very high	97.1	Very high	77 Å²	77	28 Å²	28	50%	0.5	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	125.4	175.3	-23.9	35	0	0	0	111.4	N150 S169 G173	N150-P171 HydrophobicContact CB-CG 3.78Å; S169-P171 WeakPolarHBondContact O-CD 3.44Å; P171-G173 PolarHBondContact O-N 3.02Å
172	G	92.6	Very high	97.1	Very high	92 Å²	92	24.9 Å²	24.9	95%	0.948	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-0.1	-178	0	0	0	0	0	115.2	K170	K170-G172 PolarHBondContact O-N 3.09Å
173	G	90.7	Very high	97.1	Very high	34 Å²	34	24.9 Å²	24.9	35%	0.351	18%	0.178	S	C	.	.			trans	-75.3	154.4	171.5	0	0	0	0	0	112.1	K170 P171 E175	K170-G173 PolarHBondContact O-N 3.43Å; P171-G173 PolarHBondContact O-N 3.02Å; G173-E175 VanDerWaalsContact C-N 3.32Å
174	S	91.5	Very high	97.1	Very high	124 Å²	124	24.8 Å²	24.8	87%	0.867	18%	0.177	S	C	*	.			trans	-92.1	1.8	171.8	57.2	0	0	0	0	113.2
175	E	92.6	Very high	97.1	Very high	45 Å²	45	24.6 Å²	24.6	21%	0.21	18%	0.176	C	C	.	.	S	Bend	trans	-83.3	140.7	-172.8	-61.3	165.4	-155.7	0	0	110	E47 T49 M50 G173	E47-E175 WeakPolarHBondContact O-CB 3.14Å; E47-E175 WeakPolarHBondContact O-CG 3.45Å; T49-E175 WeakPolarHBondContact CB-OE1 3.49Å; T49-E175 WeakPolarHBondContact CG2-OE1 3.18Å; T49-E175 PolarHBondContact N-OE1 3.24Å; T49-E175 PolarHBondContact N-OE2 3.04Å; T49-E175 PolarHBondContact OG1-OE1 2.85Å; T49-E175 PolarHBondContact OG1-OE2 3.42Å; M50-E175 PolarHBondContact N-OE2 3.4Å; G173-E175 VanDerWaalsContact C-N 3.32Å
176	P	95.8	Very high	97.1	Very high	31 Å²	31	25 Å²	25	20%	0.201	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-61.5	144	175.2	-25.9	38.6	0	0	0	111.3	R217	P176-R217 VanDerWaalsContact CB-CZ 3.42Å; P176-R217 VanDerWaalsContact CG-CZ 3.45Å
177	P	98.1	Very high	97.1	Very high	14 Å²	14	25 Å²	25	9%	0.091	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-76.5	167	177.4	32.7	-35.5	0	0	0	111.9	F167 V168 P213 T216 R217	F167-P177 HydrophobicContact CD2-CB 4.36Å; F167-P177 HydrophobicContact CE1-CB 4.34Å; F167-P177 HydrophobicContact CE2-CB 3.43Å; F167-P177 VanDerWaalsContact CE2-CB 3.43Å; F167-P177 HydrophobicContact CE2-CG 3.56Å; F167-P177 HydrophobicContact CZ-CB 3.41Å; F167-P177 VanDerWaalsContact CZ-CB 3.41Å; F167-P177 HydrophobicContact CZ-CG 3.62Å; V168-P177 WeakPolarHBondContact O-CA 3.23Å; V168-P177 WeakPolarHBondContact O-CB 3.36Å; P177-P213 HydrophobicContact CG-CG 4.36Å; P177-T216 HydrophobicContact CG-CG2 4.15Å; P177-T216 CarbonylContact O-C 3.57Å; P177-T216 WeakPolarHBondContact O-CA 3.37Å; P177-R217 PolarHBondContact O-N 3.43Å
178	A	98.8	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150.2	173.1	0	0	0	0	0	111	M50 F167 V168 F180 R217 Y219	M50-A178 HydrophobicContact CE-CB 3.61Å; F167-A178 CarbonylContact C-O 3.21Å; F167-A178 WeakPolarHBondContact CA-O 3.24Å; V168-A178 PolarHBondContact N-O 2.93Å; V168-A178 PolarHBondContact O-N 3.15Å; A178-F180 HydrophobicContact CB-CE2 4.22Å; A178-F180 HydrophobicContact CB-CZ 4.32Å; A178-R217 CarbonylContact C-O 3.53Å; A178-R217 WeakPolarHBondContact CA-O 3.35Å; A178-Y219 HydrophobicContact CB-CD2 3.96Å; A178-Y219 HydrophobicContact CB-CE2 3.74Å
179	V	98.9	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.4	169.4	66.8	0	0	0	0	110.6	C165 Y166 F167 T181 L209 L212 T216 R217 V218 Y219	C165-V179 HydrophobicContact CB-CG2 4.22Å; Y166-V179 WeakPolarHBondContact O-CA 3.5Å; F167-V179 HydrophobicContact CB-CG2 4.5Å; F167-V179 HydrophobicContact CD2-CB 4.36Å; V179-T181 HydrophobicContact CB-CG2 4.48Å; V179-T181 HydrophobicContact CG1-CG2 3.88Å; V179-T181 HydrophobicContact CG2-CG2 4Å; V179-L209 HydrophobicContact CG2-CD2 3.99Å; V179-L212 HydrophobicContact CB-CD1 4.28Å; V179-L212 HydrophobicContact CG2-CD1 4.11Å; V179-T216 HydrophobicContact CB-CG2 3.85Å; V179-T216 HydrophobicContact CG1-CG2 3.67Å; V179-R217 PolarHBondContact N-O 3.31Å; V179-V218 HydrophobicContact CG1-CG2 4.06Å; V179-Y219 PolarHBondContact O-N 2.71Å
180	F	98.9	Very high	97.2	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.8	175.7	-59.2	-82.4	0	0	0	108.7	V52 Y64 V66 V77 C165 Y166 V168 A178 Y219	V52-F180 HydrophobicContact CG1-CE1 3.97Å; V52-F180 HydrophobicContact CG1-CZ 4.09Å; V52-F180 HydrophobicContact CG2-CZ 4.12Å; Y64-F180 VanDerWaalsContact CB-CE1 3.45Å; Y64-F180 HydrophobicContact CD1-CE1 4.21Å; Y64-F180 AromaticContact CD2-CD1 3.68Å; Y64-F180 HydrophobicContact CD2-CD1 3.68Å; Y64-F180 HydrophobicContact CD2-CE1 4.05Å; Y64-F180 HydrophobicContact CE2-CD1 4.38Å; Y64-F180 AromaticContact CG-CD1 3.78Å; Y64-F180 HydrophobicContact CG-CD1 3.78Å; Y64-F180 AromaticContact CG-CE1 3.64Å; Y64-F180 HydrophobicContact CG-CE1 3.64Å; V66-F180 HydrophobicContact CB-CZ 4.46Å; V66-F180 HydrophobicContact CG1-CE2 4.5Å; V66-F180 HydrophobicContact CG1-CZ 4.44Å; V66-F180 HydrophobicContact CG2-CE1 3.91Å; V66-F180 HydrophobicContact CG2-CE2 3.63Å; V66-F180 HydrophobicContact CG2-CZ 3.25Å; V77-F180 HydrophobicContact CB-CD1 4.38Å; V77-F180 HydrophobicContact CG1-CB 4.11Å; V77-F180 HydrophobicContact CG1-CD1 4.43Å; V77-F180 HydrophobicContact CG1-CG 4.4Å; V77-F180 HydrophobicContact CG2-CB 4.27Å; V77-F180 HydrophobicContact CG2-CD1 3.8Å; V77-F180 HydrophobicContact CG2-CD2 4.15Å; V77-F180 HydrophobicContact CG2-CE1 4.23Å; V77-F180 HydrophobicContact CG2-CG 3.77Å; C165-F180 CarbonylContact C-O 3.59Å; C165-F180 WeakPolarHBondContact CA-O 3.29Å; Y166-F180 PolarHBondContact N-O 3.21Å; Y166-F180 PolarHBondContact O-N 3.49Å; V168-F180 HydrophobicContact CB-CE2 4.29Å; V168-F180 HydrophobicContact CG2-CD2 3.9Å; V168-F180 HydrophobicContact CG2-CE2 3.6Å; A178-F180 HydrophobicContact CB-CE2 4.22Å; A178-F180 HydrophobicContact CB-CZ 4.32Å; F180-Y219 CarbonylContact C-O 3.5Å; F180-Y219 WeakPolarHBondContact CA-O 3.44Å; F180-Y219 HydrophobicContact CD1-CD2 4.48Å; F180-Y219 HydrophobicContact CD1-CG 4.21Å; F180-Y219 AromaticContact CE1-CD2 3.95Å; F180-Y219 HydrophobicContact CE1-CD2 3.95Å; F180-Y219 AromaticContact CE1-CG 3.82Å; F180-Y219 HydrophobicContact CE1-CG 3.82Å; F180-Y219 HydrophobicContact CZ-CD2 4.23Å
181	T	99	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-4.7	-164.6	53.3	0	0	0	0	114.3	H163 V179 D183 T184 L185 L209 V218 Y219 C220	H163-T181 PolarHBondContact CE1-O 3.4Å; V179-T181 HydrophobicContact CB-CG2 4.48Å; V179-T181 HydrophobicContact CG1-CG2 3.88Å; V179-T181 HydrophobicContact CG2-CG2 4Å; T181-D183 PolarHBondContact O-N 3.43Å; T181-T184 WeakPolarHBondContact O-CB 2.92Å; T181-T184 PolarHBondContact O-N 2.74Å; T181-L185 WeakPolarHBondContact CB-O 3.35Å; T181-L185 HydrophobicContact CG2-CB 4.09Å; T181-L185 HydrophobicContact CG2-CD2 4.34Å; T181-L185 PolarHBondContact OG1-O 3.15Å; T181-L209 HydrophobicContact CG2-CD1 4.09Å; T181-V218 HydrophobicContact CG2-CG1 4.01Å; T181-Y219 PolarHBondContact N-O 3.09Å; T181-C220 WeakPolarHBondContact OG1-CA 3.28Å; T181-C220 WeakPolarHBondContact OG1-CB 3.49Å
182	G	98.9	Very high	97.4	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	43	-126.9	-172	0	0	0	0	0	110.2	G221	G182-G221 PolarHBondContact O-N 3.31Å
183	D	98.9	Very high	97.7	Very high	11 Å²	11	19.1 Å²	19.1	6%	0.059	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	14	-178.5	-76.9	29.8	0	0	0	115.4	H103 H108 H159 H163 T181 F186 G191 H222	H103-D183 IonicContact CE1-OD1 3.41Å; H108-D183 IonicContact CE1-OD1 3.87Å; H108-D183 PolarHBondContact CE1-OD1 3.44Å; H108-D183 IonicContact NE2-OD1 3.68Å; H108-D183 PolarHBondContact NE2-OD1 3.02Å; H108-D183 IonicContact NE2-OD2 2.86Å; H159-D183 WeakPolarHBondContact CD2-CB 3.33Å; H159-D183 IonicContact CE1-OD2 2.72Å; H159-D183 WeakPolarHBondContact NE2-CB 3.15Å; H159-D183 IonicContact NE2-OD2 3.93Å; H163-D183 PolarHBondContact NE2-N 2.97Å; H163-D183 VanDerWaalsContact NE2-N 3.15Å; T181-D183 PolarHBondContact O-N 3.43Å; D183-F186 HydrophobicContact CB-CE1 4.43Å; D183-F186 HydrophobicContact CB-CZ 3.87Å; D183-F186 VanDerWaalsContact CG-CZ 3.5Å; D183-G191 WeakPolarHBondContact O-CA 3.33Å; D183-G191 PolarHBondContact O-N 3.25Å; D183-G191 VanDerWaalsContact O-N 3.14Å; D183-H222 IonicContact OD1-CD2 3.24Å; D183-H222 PolarHBondContact OD1-CD2 3.14Å; D183-H222 IonicContact OD1-NE2 2.71Å; D183-H222 PolarHBondContact OD1-NE2 2.82Å; D183-H222 IonicContact OD2-CD2 3.15Å; D183-H222 IonicContact OD2-NE2 3.18Å; D183-H222 PolarHBondContact OD2-NE2 2.95Å
184	T	98.9	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-60.2	172.3	-68	0	0	0	0	110.5	T156 H163 T181 C190 G191 M201 A204 L205 L209	T156-T184 HydrophobicContact CG2-CG2 4.31Å; T156-T184 PolarHBondContact O-OG1 2.91Å; T156-T184 PolarHBondContact OG1-OG1 2.72Å; T156-T184 VanDerWaalsContact OG1-OG1 3.1Å; H163-T184 PolarHBondContact CE1-OG1 3.07Å; H163-T184 VanDerWaalsContact CE1-OG1 3.28Å; H163-T184 PolarHBondContact ND1-OG1 2.67Å; H163-T184 VanDerWaalsContact ND1-OG1 3.09Å; T181-T184 WeakPolarHBondContact O-CB 2.92Å; T181-T184 PolarHBondContact O-N 2.74Å; T184-C190 WeakPolarHBondContact O-CA 3.34Å; T184-C190 VanDerWaalsContact O-CB 3.32Å; T184-C190 WeakPolarHBondContact O-CB 3.41Å; T184-G191 PolarHBondContact O-N 3.35Å; T184-M201 HydrophobicContact CG2-SD 4.17Å; T184-A204 HydrophobicContact CG2-CB 3.99Å; T184-L205 HydrophobicContact CG2-CD2 3.99Å; T184-L209 HydrophobicContact CG2-CD1 4.02Å
185	L	98.9	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.8	-179.4	173.3	63.7	0	0	0	109.1	T181 L205 L209 V218 C220 L264 E267 N271 M274	T181-L185 WeakPolarHBondContact CB-O 3.35Å; T181-L185 HydrophobicContact CG2-CB 4.09Å; T181-L185 HydrophobicContact CG2-CD2 4.34Å; T181-L185 PolarHBondContact OG1-O 3.15Å; L185-L205 HydrophobicContact CB-CD2 3.85Å; L185-L205 HydrophobicContact CD1-CD2 4.13Å; L185-L205 HydrophobicContact CG-CD2 4.47Å; L185-L209 HydrophobicContact CB-CD1 3.92Å; L185-L209 HydrophobicContact CD2-CD1 4.2Å; L185-V218 HydrophobicContact CD2-CG1 3.92Å; L185-V218 HydrophobicContact CD2-CG2 4.33Å; L185-V218 HydrophobicContact CG-CG1 4.21Å; L185-C220 WeakPolarHBondContact O-CB 3.49Å; L185-L264 HydrophobicContact CD2-CD2 3.91Å; L185-E267 HydrophobicContact CD2-CG 4.44Å; L185-N271 WeakPolarHBondContact CD1-ND2 3.32Å; L185-M274 HydrophobicContact CD1-CG 4.06Å; L185-M274 HydrophobicContact CD1-SD 4.01Å
186	F	98.9	Very high	98.7	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.031	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	162.9	168.2	-60.5	-61.7	0	0	0	109.8	D183 A188 G189 C220 H222 Y224 N271	D183-F186 HydrophobicContact CB-CE1 4.43Å; D183-F186 HydrophobicContact CB-CZ 3.87Å; D183-F186 VanDerWaalsContact CG-CZ 3.5Å; F186-A188 PolarHBondContact O-N 3Å; F186-G189 PolarHBondContact N-O 2.87Å; F186-G189 PolarHBondContact O-N 2.79Å; F186-C220 HydrophobicContact CB-CB 4.48Å; F186-C220 HydrophobicContact CD1-CB 3.75Å; F186-H222 HydrophobicContact CD1-CB 4.48Å; F186-H222 HydrophobicContact CE1-CB 4.01Å; F186-H222 AromaticContact CE1-CD2 3.75Å; F186-H222 AromaticContact CZ-CD2 3.9Å; F186-Y224 HydrophobicContact CD2-CD2 4.21Å; F186-Y224 HydrophobicContact CE1-CD2 4.33Å; F186-Y224 AromaticContact CE2-CD2 3.97Å; F186-Y224 HydrophobicContact CE2-CD2 3.97Å; F186-Y224 HydrophobicContact CE2-CE2 4.26Å; F186-Y224 HydrophobicContact CG-CD2 4.47Å; F186-Y224 HydrophobicContact CZ-CD2 4.03Å; F186-Y224 HydrophobicContact CZ-CE2 4.05Å; F186-N271 PolarHBondContact O-ND2 2.72Å
187	V	98.9	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	117.3	166.4	-173.1	0	0	0	0	109.1	G189 T225 N228 V260 E267 Y270	V187-G189 PolarHBondContact O-N 2.82Å; V187-G189 VanDerWaalsContact O-N 3.17Å; V187-T225 HydrophobicContact CB-CG2 3.98Å; V187-T225 WeakPolarHBondContact CB-OG1 3.3Å; V187-T225 HydrophobicContact CG1-CG2 3.55Å; V187-N228 WeakPolarHBondContact O-CB 3.31Å; V187-N228 PolarHBondContact O-ND2 3.46Å; V187-V260 HydrophobicContact CG2-CG1 4.08Å; V187-E267 WeakPolarHBondContact CA-OE1 3.47Å; V187-Y270 HydrophobicContact CG1-CE2 4.21Å
188	A	98.9	Very high	98.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	14.4	-176.9	0	0	0	0	0	116.1	F186 N228 L229 E267 Y270 N271	F186-A188 PolarHBondContact O-N 3Å; A188-N228 HydrophobicContact CB-CB 3.98Å; A188-N228 WeakPolarHBondContact O-CB 3.22Å; A188-L229 HydrophobicContact CB-CD2 3.51Å; A188-L229 HydrophobicContact CB-CG 3.59Å; A188-E267 PolarHBondContact N-OE2 2.86Å; A188-Y270 HydrophobicContact CB-CD2 3.57Å; A188-Y270 HydrophobicContact CB-CE2 3.77Å; A188-N271 VanDerWaalsContact C-CG 3.41Å; A188-N271 VanDerWaalsContact C-ND2 3.35Å
189	G	98.9	Very high	98.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-176.3	-177.9	0	0	0	0	0	114.2	F186 V187 N271	F186-G189 PolarHBondContact N-O 2.87Å; F186-G189 PolarHBondContact O-N 2.79Å; V187-G189 PolarHBondContact O-N 2.82Å; V187-G189 VanDerWaalsContact O-N 3.17Å; G189-N271 PolarHBondContact N-ND2 3.26Å; G189-N271 PolarHBondContact O-ND2 3.48Å; G189-N271 VanDerWaalsContact O-ND2 3.08Å
190	C	98.9	Very high	98.9	Very high	3 Å²	3	28 Å²	28	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	166.9	169	72.3	0	0	0	0	110.3	T184 M201 L205 F273 R298	T184-C190 WeakPolarHBondContact O-CA 3.34Å; T184-C190 VanDerWaalsContact O-CB 3.32Å; T184-C190 WeakPolarHBondContact O-CB 3.41Å; C190-M201 HydrophobicContact CB-CE 4.21Å; C190-M201 HydrophobicContact CB-SD 4.16Å; C190-L205 HydrophobicContact CB-CD1 4.12Å; C190-F273 HydrophobicContact CB-CB 4.16Å; C190-F273 HydrophobicContact CB-CD2 3.99Å; C190-F273 HydrophobicContact CB-CG 3.99Å; C190-F273 WeakPolarHBondContact SG-CD1 3.23Å; C190-F273 VanDerWaalsContact SG-CD2 3.56Å; C190-F273 WeakPolarHBondContact SG-CG 3.26Å; C190-R298 PolarHBondContact O-NH1 3.04Å; C190-R298 PolarHBondContact SG-NH1 3.46Å
191	G	98.8	Very high	98.9	Very high	2 Å²	2	28 Å²	28	2%	0.021	14%	0.139	C	C	.	.			trans	-59.5	156.5	172.1	0	0	0	0	0	113.4	D183 T184 F193 R298	D183-G191 WeakPolarHBondContact O-CA 3.33Å; D183-G191 PolarHBondContact O-N 3.25Å; D183-G191 VanDerWaalsContact O-N 3.14Å; T184-G191 PolarHBondContact O-N 3.35Å; G191-F193 WeakPolarHBondContact O-CD1 3.38Å; G191-F193 WeakPolarHBondContact O-CE1 3.48Å; G191-R298 PolarHBondContact O-NH1 3.07Å
192	K	98.8	Very high	98.9	Very high	87 Å²	87	28.3 Å²	28.3	38%	0.378	14%	0.142	S	C	.	.			trans	-66.7	149.7	160.9	-73.7	-172.1	174.7	-176.9	0	109.8	H159 Y194 D302	H159-K192 WeakPolarHBondContact CA-O 3.47Å; H159-K192 PolarHBondContact ND1-O 2.87Å; K192-Y194 VanDerWaalsContact C-N 3.34Å; K192-Y194 HydrophobicContact CB-CD1 4.28Å; K192-Y194 HydrophobicContact CB-CD2 4.32Å; K192-Y194 HydrophobicContact CB-CE1 3.92Å; K192-Y194 HydrophobicContact CB-CE2 4.01Å; K192-Y194 HydrophobicContact CB-CG 4.47Å; K192-Y194 HydrophobicContact CD-CE1 3.92Å; K192-Y194 PolarHBondContact O-N 2.97Å; K192-Y194 VanDerWaalsContact O-N 3.16Å; K192-D302 WeakPolarHBondContact CE-OD1 3.28Å
193	F	98.8	Very high	98.9	Very high	41 Å²	41	32.7 Å²	32.7	18%	0.18	16%	0.16	C	C	.	.			trans	-91.4	66.9	-175.2	-53.4	-9.8	0	0	0	109.9	C158 G191 A198 M201 M294 R298	C158-F193 WeakPolarHBondContact SG-CD1 3.42Å; C158-F193 WeakPolarHBondContact SG-CG 3.44Å; G191-F193 WeakPolarHBondContact O-CD1 3.38Å; G191-F193 WeakPolarHBondContact O-CE1 3.48Å; F193-A198 HydrophobicContact CE2-CB 4.02Å; F193-M201 HydrophobicContact CD1-CB 4.36Å; F193-M201 HydrophobicContact CD1-CE 3.72Å; F193-M201 HydrophobicContact CD1-CG 4.48Å; F193-M201 HydrophobicContact CE1-CB 3.68Å; F193-M201 HydrophobicContact CE1-CE 3.46Å; F193-M201 VanDerWaalsContact CE1-CE 3.46Å; F193-M201 HydrophobicContact CE1-CG 3.53Å; F193-M201 HydrophobicContact CE1-SD 4.3Å; F193-M201 HydrophobicContact CE2-CB 4.18Å; F193-M201 HydrophobicContact CZ-CB 3.57Å; F193-M201 HydrophobicContact CZ-CG 3.66Å; F193-M294 HydrophobicContact CE2-CG 4.11Å; F193-M294 HydrophobicContact CZ-CG 3.92Å; F193-M294 HydrophobicContact CZ-SD 3.82Å; F193-R298 HydrophobicContact CD1-CG 4.06Å; F193-R298 HydrophobicContact CD2-CB 4.44Å; F193-R298 HydrophobicContact CD2-CG 3.86Å; F193-R298 HydrophobicContact CE1-CB 4.41Å; F193-R298 VanDerWaalsContact CE1-CD 3.48Å; F193-R298 HydrophobicContact CE1-CG 3.74Å; F193-R298 HydrophobicContact CE2-CB 3.72Å; F193-R298 HydrophobicContact CE2-CG 3.55Å; F193-R298 HydrophobicContact CG-CG 4.1Å; F193-R298 HydrophobicContact CZ-CB 3.7Å; F193-R298 HydrophobicContact CZ-CG 3.48Å; F193-R298 VanDerWaalsContact CZ-CG 3.48Å
194	Y	98.6	Very high	98.9	Very high	145 Å²	145	32.3 Å²	32.3	57%	0.569	16%	0.159	S	C	*	.	S	Bend	trans	-68.7	-36.7	-174.6	-63	-58.5	0	0	0	112.8	H105 H159 K192	H105-Y194 AromaticContact CE1-CD2 3.85Å; H159-Y194 AromaticContact CE1-CD2 3.4Å; H159-Y194 VanDerWaalsContact CE1-CD2 3.4Å; H159-Y194 WeakPolarHBondContact CE1-CD2 3.27Å; H159-Y194 AromaticContact CE1-CE2 3.39Å; H159-Y194 WeakPolarHBondContact CE1-CE2 3.42Å; H159-Y194 AromaticContact ND1-CD2 3.62Å; H159-Y194 AromaticContact ND1-CE2 3.94Å; H159-Y194 WeakPolarHBondContact O-CB 3.45Å; K192-Y194 VanDerWaalsContact C-N 3.34Å; K192-Y194 HydrophobicContact CB-CD1 4.28Å; K192-Y194 HydrophobicContact CB-CD2 4.32Å; K192-Y194 HydrophobicContact CB-CE1 3.92Å; K192-Y194 HydrophobicContact CB-CE2 4.01Å; K192-Y194 HydrophobicContact CB-CG 4.47Å; K192-Y194 HydrophobicContact CD-CE1 3.92Å; K192-Y194 PolarHBondContact O-N 2.97Å; K192-Y194 VanDerWaalsContact O-N 3.16Å
195	E	98.8	Very high	98.9	Very high	65 Å²	65	32.3 Å²	32.3	30%	0.304	16%	0.159	S	C	.	.	S	Bend	trans	-125.8	27.3	-176.2	-53.5	-173.4	167.1	0	0	112.8	H104 R130 C158 H159 T160 S161	H104-E195 IonicContact CE1-OE1 2.76Å; H104-E195 PolarHBondContact CE1-OE1 2.88Å; H104-E195 IonicContact NE2-OE1 3.5Å; R130-E195 IonicContact CZ-OE1 2.76Å; R130-E195 IonicContact CZ-OE2 3.86Å; R130-E195 IonicContact NH1-OE1 3.58Å; R130-E195 PolarHBondContact NH1-OE1 3.08Å; R130-E195 IonicContact NH1-OE2 3.4Å; R130-E195 IonicContact NH2-OE1 3.21Å; R130-E195 IonicContact NH2-OE2 3.5Å; R130-E195 PolarHBondContact NH2-OE2 2.79Å; C158-E195 CarbonylContact O-C 3.58Å; C158-E195 PolarHBondContact O-N 2.74Å; H159-E195 PolarHBondContact O-N 3.46Å; T160-E195 WeakPolarHBondContact CA-OE2 3.37Å; S161-E195 WeakPolarHBondContact CB-OE2 3.26Å; S161-E195 PolarHBondContact N-OE2 3.27Å; S161-E195 PolarHBondContact OG-OE2 3.18Å
196	G	98.6	Very high	98.8	Very high	24 Å²	24	33 Å²	33	25%	0.247	16%	0.163	C	C	.	.	S	Bend	trans	-164	-167.7	-175.6	0	0	0	0	0	114.4	C158 E200	C158-G196 PolarHBondContact O-N 2.97Å; C158-G196 VanDerWaalsContact O-N 3.09Å; G196-E200 WeakPolarHBondContact CA-OE2 3.18Å
197	T	98.9	Very high	98.8	Very high	70 Å²	70	37 Å²	37	43%	0.429	18%	0.181	S	C	.	.			trans	-122.9	165	-166.1	64.8	0	0	0	0	112	C158 D199 E200 M201	C158-T197 PolarHBondContact SG-O 2.98Å; T197-D199 VanDerWaalsContact C-N 3.26Å; T197-D199 PolarHBondContact O-N 2.8Å; T197-E200 WeakPolarHBondContact CB-OE2 3.37Å; T197-E200 PolarHBondContact N-OE2 3.46Å; T197-E200 PolarHBondContact O-N 2.62Å; T197-E200 WeakPolarHBondContact OG1-CG 3.37Å; T197-E200 PolarHBondContact OG1-N 3.23Å; T197-E200 PolarHBondContact OG1-OE2 3.5Å; T197-M201 PolarHBondContact O-N 2.94Å
198	A	98.8	Very high	98.8	Very high	6 Å²	6	38.5 Å²	38.5	5%	0.05	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-33.9	173.4	0	0	0	0	0	112.8	F193 M201 C202 V291 M294 R295	F193-A198 HydrophobicContact CE2-CB 4.02Å; A198-M201 PolarHBondContact O-N 3.41Å; A198-C202 WeakPolarHBondContact O-CB 3.26Å; A198-C202 PolarHBondContact O-N 3.17Å; A198-C202 PolarHBondContact O-SG 3.33Å; A198-V291 HydrophobicContact CB-CG1 4.35Å; A198-M294 HydrophobicContact CB-CB 4.17Å; A198-M294 HydrophobicContact CB-CG 3.9Å; A198-R295 HydrophobicContact CB-CB 3.7Å; A198-R295 HydrophobicContact CB-CG 4.41Å
199	D	98.9	Very high	98.8	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-65.3	-44	175.8	176	69.4	0	0	0	111.2	T197 C202 K203 V291	T197-D199 VanDerWaalsContact C-N 3.26Å; T197-D199 PolarHBondContact O-N 2.8Å; D199-C202 WeakPolarHBondContact O-CB 3.03Å; D199-C202 PolarHBondContact O-N 2.92Å; D199-K203 WeakPolarHBondContact O-CG 2.92Å; D199-K203 PolarHBondContact O-N 2.76Å; D199-K203 IonicContact OD1-NZ 3.84Å; D199-K203 WeakPolarHBondContact OD2-CE 2.87Å; D199-K203 IonicContact OD2-NZ 2.64Å; D199-K203 PolarHBondContact OD2-NZ 3.16Å; D199-V291 HydrophobicContact CB-CG1 3.95Å; D199-V291 HydrophobicContact CB-CG2 4.46Å
200	E	98.9	Very high	98.8	Very high	62 Å²	62	39.5 Å²	39.5	29%	0.29	20%	0.2	S	C	.	.	H	α-helix	trans	-63.1	-42.3	175.5	-74	168.4	131.3	0	0	112.3	P157 C158 G196 T197 K203 A204	P157-E200 WeakPolarHBondContact O-CB 3.36Å; C158-E200 HydrophobicContact CB-CB 4.21Å; G196-E200 WeakPolarHBondContact CA-OE2 3.18Å; T197-E200 WeakPolarHBondContact CB-OE2 3.37Å; T197-E200 PolarHBondContact N-OE2 3.46Å; T197-E200 PolarHBondContact O-N 2.62Å; T197-E200 WeakPolarHBondContact OG1-CG 3.37Å; T197-E200 PolarHBondContact OG1-N 3.23Å; T197-E200 PolarHBondContact OG1-OE2 3.5Å; E200-K203 PolarHBondContact O-N 2.75Å; E200-A204 WeakPolarHBondContact O-CB 3.32Å; E200-A204 PolarHBondContact O-N 2.63Å
201	M	98.9	Very high	98.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-41.1	173.4	-170.7	58.8	77.2	0	0	111.7	C158 T184 C190 F193 T197 A198 K203 A204 L205 M294	C158-M201 HydrophobicContact CB-CB 4.24Å; C158-M201 HydrophobicContact CB-CE 3.85Å; C158-M201 HydrophobicContact CB-SD 4.49Å; T184-M201 HydrophobicContact CG2-SD 4.17Å; C190-M201 HydrophobicContact CB-CE 4.21Å; C190-M201 HydrophobicContact CB-SD 4.16Å; F193-M201 HydrophobicContact CD1-CB 4.36Å; F193-M201 HydrophobicContact CD1-CE 3.72Å; F193-M201 HydrophobicContact CD1-CG 4.48Å; F193-M201 HydrophobicContact CE1-CB 3.68Å; F193-M201 HydrophobicContact CE1-CE 3.46Å; F193-M201 VanDerWaalsContact CE1-CE 3.46Å; F193-M201 HydrophobicContact CE1-CG 3.53Å; F193-M201 HydrophobicContact CE1-SD 4.3Å; F193-M201 HydrophobicContact CE2-CB 4.18Å; F193-M201 HydrophobicContact CZ-CB 3.57Å; F193-M201 HydrophobicContact CZ-CG 3.66Å; T197-M201 PolarHBondContact O-N 2.94Å; A198-M201 PolarHBondContact O-N 3.41Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 2.88Å; M201-A204 PolarHBondContact O-N 3.36Å; M201-L205 HydrophobicContact CG-CD1 3.82Å; M201-L205 HydrophobicContact CG-CG 4.02Å; M201-L205 WeakPolarHBondContact O-CB 3.45Å; M201-L205 WeakPolarHBondContact O-CG 3.38Å; M201-L205 PolarHBondContact O-N 3.27Å; M201-L205 HydrophobicContact SD-CD1 3.86Å; M201-L205 HydrophobicContact SD-CD2 4.05Å; M201-L205 HydrophobicContact SD-CG 3.67Å; M201-M294 HydrophobicContact CB-CE 4.47Å; M201-M294 HydrophobicContact CB-CG 4.34Å; M201-M294 HydrophobicContact CB-SD 4.26Å; M201-M294 HydrophobicContact CG-CE 4.02Å; M201-M294 HydrophobicContact CG-SD 3.87Å
202	C	98.9	Very high	98.8	Very high	7 Å²	7	49 Å²	49	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-46.5	173.7	-83.1	0	0	0	0	111.6	A198 D199 L206 P290 V291 M294	A198-C202 WeakPolarHBondContact O-CB 3.26Å; A198-C202 PolarHBondContact O-N 3.17Å; A198-C202 PolarHBondContact O-SG 3.33Å; D199-C202 WeakPolarHBondContact O-CB 3.03Å; D199-C202 PolarHBondContact O-N 2.92Å; C202-L206 VanDerWaalsContact O-CB 3.23Å; C202-L206 WeakPolarHBondContact O-CB 3.46Å; C202-L206 WeakPolarHBondContact O-CG 3.33Å; C202-L206 PolarHBondContact O-N 3.04Å; C202-P290 PolarHBondContact SG-O 2.81Å; C202-P290 VanDerWaalsContact SG-O 3.42Å; C202-V291 HydrophobicContact CB-CG2 4.3Å; C202-M294 WeakPolarHBondContact SG-CB 3.47Å
203	K	98.9	Very high	98.8	Very high	94 Å²	94	47.4 Å²	47.4	41%	0.409	24%	0.236	S	C	.	.	I	π-helix	trans	-61.9	-48.5	176.5	-73.1	166.9	177.4	166.8	0	111.4	D199 E200 M201 L205 E207 V208	D199-K203 WeakPolarHBondContact O-CG 2.92Å; D199-K203 PolarHBondContact O-N 2.76Å; D199-K203 IonicContact OD1-NZ 3.84Å; D199-K203 WeakPolarHBondContact OD2-CE 2.87Å; D199-K203 IonicContact OD2-NZ 2.64Å; D199-K203 PolarHBondContact OD2-NZ 3.16Å; E200-K203 PolarHBondContact O-N 2.75Å; M201-K203 VanDerWaalsContact C-N 3.34Å; M201-K203 PolarHBondContact O-N 2.88Å; K203-L205 PolarHBondContact O-N 2.77Å; K203-E207 CarbonylContact O-C 3.52Å; K203-E207 WeakPolarHBondContact O-CA 3.4Å; K203-E207 VanDerWaalsContact O-CB 3.32Å; K203-E207 WeakPolarHBondContact O-CB 3.47Å; K203-E207 PolarHBondContact O-N 2.99Å; K203-V208 PolarHBondContact O-N 2.74Å
204	A	98.9	Very high	98.8	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.025	25%	0.254	C	S	.	.	I	π-helix	trans	-56.9	-49.6	178.4	0	0	0	0	0	111.8	T156 T184 E200 M201 V208 L209	T156-A204 HydrophobicContact CG2-CB 3.93Å; T184-A204 HydrophobicContact CG2-CB 3.99Å; E200-A204 WeakPolarHBondContact O-CB 3.32Å; E200-A204 PolarHBondContact O-N 2.63Å; M201-A204 PolarHBondContact O-N 3.36Å; A204-V208 WeakPolarHBondContact O-CB 3.35Å; A204-L209 WeakPolarHBondContact O-CB 3.02Å; A204-L209 WeakPolarHBondContact O-CG 3.32Å; A204-L209 PolarHBondContact O-N 2.69Å
205	L	98.9	Very high	98.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-77.8	-43	-174.7	-66.9	-170.1	0	0	0	113.6	T184 L185 C190 M201 K203 L209 G210 F273 M274 M294	T184-L205 HydrophobicContact CG2-CD2 3.99Å; L185-L205 HydrophobicContact CB-CD2 3.85Å; L185-L205 HydrophobicContact CD1-CD2 4.13Å; L185-L205 HydrophobicContact CG-CD2 4.47Å; C190-L205 HydrophobicContact CB-CD1 4.12Å; M201-L205 HydrophobicContact CG-CD1 3.82Å; M201-L205 HydrophobicContact CG-CG 4.02Å; M201-L205 WeakPolarHBondContact O-CB 3.45Å; M201-L205 WeakPolarHBondContact O-CG 3.38Å; M201-L205 PolarHBondContact O-N 3.27Å; M201-L205 HydrophobicContact SD-CD1 3.86Å; M201-L205 HydrophobicContact SD-CD2 4.05Å; M201-L205 HydrophobicContact SD-CG 3.67Å; K203-L205 PolarHBondContact O-N 2.77Å; L205-L209 HydrophobicContact CD2-CD1 4.19Å; L205-G210 VanDerWaalsContact O-CA 3.23Å; L205-G210 WeakPolarHBondContact O-CA 3.33Å; L205-G210 PolarHBondContact O-N 3.26Å; L205-F273 HydrophobicContact CD1-CB 3.74Å; L205-M274 HydrophobicContact CB-SD 3.67Å; L205-M274 HydrophobicContact CD1-SD 4.19Å; L205-M274 HydrophobicContact CD2-SD 4.05Å; L205-M274 HydrophobicContact CG-SD 4.17Å; L205-M294 HydrophobicContact CD1-CE 3.99Å
206	L	98.8	Very high	98.8	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.084	23%	0.23	C	C	.	.	I	π-helix	trans	-97.8	-28.5	-169.6	-53	-179.8	0	0	0	113.3	C202 F268 M274 V276 R277	C202-L206 VanDerWaalsContact O-CB 3.23Å; C202-L206 WeakPolarHBondContact O-CB 3.46Å; C202-L206 WeakPolarHBondContact O-CG 3.33Å; C202-L206 PolarHBondContact O-N 3.04Å; L206-F268 HydrophobicContact CD2-CE1 4.32Å; L206-M274 WeakPolarHBondContact CD2-O 3.48Å; L206-V276 HydrophobicContact CD1-CG2 3.81Å; L206-R277 HydrophobicContact CD1-CG 4.15Å
207	E	98.6	Very high	98.8	Very high	90 Å²	90	45 Å²	45	42%	0.421	23%	0.231	S	C	.	.	I	π-helix	trans	-109.3	-28.2	-172.5	-58.6	-165.2	-137.7	0	0	113.8	K203 R211	K203-E207 CarbonylContact O-C 3.52Å; K203-E207 WeakPolarHBondContact O-CA 3.4Å; K203-E207 VanDerWaalsContact O-CB 3.32Å; K203-E207 WeakPolarHBondContact O-CB 3.47Å; K203-E207 PolarHBondContact O-N 2.99Å; E207-R211 WeakPolarHBondContact O-CD 3.2Å; E207-R211 WeakPolarHBondContact O-CG 3.49Å; E207-R211 PolarHBondContact O-NE 2.97Å; E207-R211 PolarHBondContact O-NH1 2.91Å; E207-R211 IonicContact OE2-CZ 3.87Å; E207-R211 IonicContact OE2-NH1 2.87Å; E207-R211 IonicContact OE2-NH2 3.15Å; E207-R211 PolarHBondContact OE2-NH2 2.89Å
208	V	98.9	Very high	98.8	Very high	32 Å²	32	41.7 Å²	41.7	19%	0.194	21%	0.21	C	C	.	.	I	π-helix	trans	-96.5	-67.5	175.5	-179.3	0	0	0	0	110.1	L154 T156 K203 A204	L154-V208 HydrophobicContact CB-CG1 3.82Å; L154-V208 HydrophobicContact CD1-CG1 4.24Å; L154-V208 HydrophobicContact CD2-CG1 4.41Å; L154-V208 HydrophobicContact CG-CG1 4.38Å; T156-V208 HydrophobicContact CG2-CB 4.4Å; T156-V208 HydrophobicContact CG2-CG1 4.03Å; K203-V208 PolarHBondContact O-N 2.74Å; A204-V208 WeakPolarHBondContact O-CB 3.35Å
209	L	98.9	Very high	98.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-71.9	-44.6	-177.9	-62.4	-179.8	0	0	0	111.8	L154 T156 C165 V179 T181 T184 L185 A204 L205 R211 L212 L264	L154-L209 HydrophobicContact CD1-CD2 4.32Å; T156-L209 HydrophobicContact CG2-CD2 4.46Å; T156-L209 HydrophobicContact CG2-CG 4.26Å; C165-L209 HydrophobicContact CB-CD2 3.94Å; V179-L209 HydrophobicContact CG2-CD2 3.99Å; T181-L209 HydrophobicContact CG2-CD1 4.09Å; T184-L209 HydrophobicContact CG2-CD1 4.02Å; L185-L209 HydrophobicContact CB-CD1 3.92Å; L185-L209 HydrophobicContact CD2-CD1 4.2Å; A204-L209 WeakPolarHBondContact O-CB 3.02Å; A204-L209 WeakPolarHBondContact O-CG 3.32Å; A204-L209 PolarHBondContact O-N 2.69Å; L205-L209 HydrophobicContact CD2-CD1 4.19Å; L209-R211 PolarHBondContact O-N 2.69Å; L209-L212 HydrophobicContact CD2-CD1 4.17Å; L209-L212 WeakPolarHBondContact O-CB 3.39Å; L209-L212 WeakPolarHBondContact O-CG 3.32Å; L209-L212 PolarHBondContact O-N 2.78Å; L209-L264 WeakPolarHBondContact O-CD1 3.48Å
210	G	98.6	Very high	98.8	Very high	20 Å²	20	38.5 Å²	38.5	21%	0.206	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-66.3	-6.2	-176.9	0	0	0	0	0	115.7	L205	L205-G210 VanDerWaalsContact O-CA 3.23Å; L205-G210 WeakPolarHBondContact O-CA 3.33Å; L205-G210 PolarHBondContact O-N 3.26Å
211	R	98.7	Very high	98.8	Very high	174 Å²	174	35.6 Å²	35.6	66%	0.657	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-100.9	-3.8	174.1	-63.3	-170.4	-173.4	142.7	1.5	113.5	E207 L209	E207-R211 WeakPolarHBondContact O-CD 3.2Å; E207-R211 WeakPolarHBondContact O-CG 3.49Å; E207-R211 PolarHBondContact O-NE 2.97Å; E207-R211 PolarHBondContact O-NH1 2.91Å; E207-R211 IonicContact OE2-CZ 3.87Å; E207-R211 IonicContact OE2-NH1 2.87Å; E207-R211 IonicContact OE2-NH2 3.15Å; E207-R211 PolarHBondContact OE2-NH2 2.89Å; L209-R211 PolarHBondContact O-N 2.69Å
212	L	98.8	Very high	98.8	Very high	32 Å²	32	35.8 Å²	35.8	17%	0.168	18%	0.18	C	C	.	.	S	Bend	trans	-69.9	163.5	171.3	-62	175	0	0	0	110.6	L154 F167 V179 L209 L264	L154-L212 HydrophobicContact CD1-CD1 3.96Å; L154-L212 HydrophobicContact CD1-CD2 4.14Å; L154-L212 HydrophobicContact CD1-CG 4.47Å; F167-L212 HydrophobicContact CD2-CD1 3.79Å; F167-L212 HydrophobicContact CD2-CD2 3.88Å; F167-L212 HydrophobicContact CD2-CG 4.36Å; F167-L212 HydrophobicContact CE2-CD1 4.32Å; F167-L212 HydrophobicContact CE2-CD2 4.03Å; F167-L212 HydrophobicContact CG-CD1 4.49Å; F167-L212 HydrophobicContact CG-CD2 4.17Å; F167-L212 HydrophobicContact CZ-CD2 4.47Å; V179-L212 HydrophobicContact CB-CD1 4.28Å; V179-L212 HydrophobicContact CG2-CD1 4.11Å; L209-L212 HydrophobicContact CD2-CD1 4.17Å; L209-L212 WeakPolarHBondContact O-CB 3.39Å; L209-L212 WeakPolarHBondContact O-CG 3.32Å; L209-L212 PolarHBondContact O-N 2.78Å; L212-L264 HydrophobicContact CB-CD1 3.55Å; L212-L264 HydrophobicContact CD1-CD1 4.25Å; L212-L264 HydrophobicContact CG-CD1 4.45Å
213	P	98.7	Very high	98.8	Very high	53 Å²	53	36.7 Å²	36.7	34%	0.344	18%	0.183	S	C	.	.			trans	-53.2	138.7	177.3	-27.6	36.2	0	0	0	112.3	P177 D215 T216	P177-P213 HydrophobicContact CG-CG 4.36Å; P213-D215 VanDerWaalsContact CB-OD1 3.28Å; P213-D215 WeakPolarHBondContact CB-OD1 3.38Å; P213-D215 PolarHBondContact O-N 2.86Å; P213-T216 VanDerWaalsContact O-CB 3.25Å; P213-T216 WeakPolarHBondContact O-CB 3.34Å; P213-T216 PolarHBondContact O-N 2.93Å; P213-T216 PolarHBondContact O-OG1 2.94Å
214	P	98.6	Very high	98.7	Very high	87 Å²	87	35.9 Å²	35.9	57%	0.565	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-28	-173.9	25	-34.5	0	0	0	113.2	T216 L264 A265	P214-T216 VanDerWaalsContact C-N 3.28Å; P214-T216 PolarHBondContact O-N 2.93Å; P214-L264 PolarHBondContact O-N 3.06Å; P214-A265 HydrophobicContact CB-CB 4.04Å; P214-A265 VanDerWaalsContact O-CB 3.3Å; P214-A265 WeakPolarHBondContact O-CB 3.22Å; P214-A265 PolarHBondContact O-N 3.31Å
215	D	98.3	Very high	98.7	Very high	69 Å²	69	35.7 Å²	35.7	37%	0.369	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.3	177.1	66.4	-34.9	0	0	0	113.6	P213 R217	P213-D215 VanDerWaalsContact CB-OD1 3.28Å; P213-D215 WeakPolarHBondContact CB-OD1 3.38Å; P213-D215 PolarHBondContact O-N 2.86Å; D215-R217 WeakPolarHBondContact O-CD 3.49Å; D215-R217 PolarHBondContact O-N 3.21Å; D215-R217 PolarHBondContact O-NH1 3.48Å
216	T	98.8	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-59.2	126.6	175.4	-54.1	0	0	0	0	110.2	F167 P177 V179 P213 P214 T263 L264	F167-T216 HydrophobicContact CD2-CG2 4.09Å; F167-T216 HydrophobicContact CE2-CG2 3.85Å; P177-T216 HydrophobicContact CG-CG2 4.15Å; P177-T216 CarbonylContact O-C 3.57Å; P177-T216 WeakPolarHBondContact O-CA 3.37Å; V179-T216 HydrophobicContact CB-CG2 3.85Å; V179-T216 HydrophobicContact CG1-CG2 3.67Å; P213-T216 VanDerWaalsContact O-CB 3.25Å; P213-T216 WeakPolarHBondContact O-CB 3.34Å; P213-T216 PolarHBondContact O-N 2.93Å; P213-T216 PolarHBondContact O-OG1 2.94Å; P214-T216 VanDerWaalsContact C-N 3.28Å; P214-T216 PolarHBondContact O-N 2.93Å; T216-T263 VanDerWaalsContact O-CA 3.29Å; T216-T263 WeakPolarHBondContact O-CA 3.48Å; T216-L264 HydrophobicContact CG2-CD1 4.4Å; T216-L264 PolarHBondContact O-N 3.11Å; T216-L264 VanDerWaalsContact O-N 3.12Å
217	R	98.8	Very high	98.7	Very high	69 Å²	69	39.7 Å²	39.7	26%	0.26	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.4	175.9	-80.5	75.6	171	137.5	-2.9	110.7	E47 P176 P177 A178 V179 D215 Y219 P261 S262	E47-R217 VanDerWaalsContact OE1-CG 3.26Å; E47-R217 WeakPolarHBondContact OE1-CG 3.41Å; E47-R217 IonicContact OE1-NE 3.4Å; P176-R217 VanDerWaalsContact CB-CZ 3.42Å; P176-R217 VanDerWaalsContact CG-CZ 3.45Å; P177-R217 PolarHBondContact O-N 3.43Å; A178-R217 CarbonylContact C-O 3.53Å; A178-R217 WeakPolarHBondContact CA-O 3.35Å; V179-R217 PolarHBondContact N-O 3.31Å; D215-R217 WeakPolarHBondContact O-CD 3.49Å; D215-R217 PolarHBondContact O-N 3.21Å; D215-R217 PolarHBondContact O-NH1 3.48Å; R217-Y219 HydrophobicContact CB-CD2 4.22Å; R217-Y219 HydrophobicContact CB-CE2 3.56Å; R217-P261 HydrophobicContact CB-CB 3.89Å; R217-P261 HydrophobicContact CB-CG 4.31Å; R217-P261 HydrophobicContact CG-CB 4.12Å; R217-P261 HydrophobicContact CG-CG 4.05Å; R217-S262 CarbonylContact C-O 3.56Å; R217-S262 VanDerWaalsContact CA-O 3.31Å; R217-S262 WeakPolarHBondContact CA-O 3.13Å
218	V	98.9	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.2	-177.1	180	0	0	0	0	109.7	V179 T181 L185 P261 S262 L264	V179-V218 HydrophobicContact CG1-CG2 4.06Å; T181-V218 HydrophobicContact CG2-CG1 4.01Å; L185-V218 HydrophobicContact CD2-CG1 3.92Å; L185-V218 HydrophobicContact CD2-CG2 4.33Å; L185-V218 HydrophobicContact CG-CG1 4.21Å; V218-P261 VanDerWaalsContact O-CA 3.27Å; V218-P261 WeakPolarHBondContact O-CA 3.38Å; V218-P261 WeakPolarHBondContact O-CB 3.4Å; V218-S262 PolarHBondContact N-O 3.18Å; V218-S262 PolarHBondContact O-N 3.25Å; V218-L264 HydrophobicContact CG2-CD2 3.72Å; V218-L264 HydrophobicContact CG2-CG 3.87Å
219	Y	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	100.6	177.8	-67.1	-85.3	0	0	0	109.5	V45 E47 V52 V54 Y64 A178 V179 F180 T181 R217 P261	V45-Y219 WeakPolarHBondContact CB-OH 3.5Å; V45-Y219 HydrophobicContact CG2-CE1 4.38Å; E47-Y219 PolarHBondContact OE1-OH 3.32Å; V52-Y219 HydrophobicContact CB-CE1 4.08Å; V52-Y219 HydrophobicContact CB-CE2 4.41Å; V52-Y219 HydrophobicContact CG1-CD1 3.99Å; V52-Y219 HydrophobicContact CG1-CE1 3.63Å; V52-Y219 HydrophobicContact CG1-CE2 4.3Å; V52-Y219 HydrophobicContact CG1-CG 4.45Å; V52-Y219 HydrophobicContact CG2-CE2 4.15Å; V54-Y219 HydrophobicContact CG2-CD1 4.44Å; V54-Y219 HydrophobicContact CG2-CE1 4.25Å; Y64-Y219 AromaticContact CD1-CD1 3.78Å; Y64-Y219 HydrophobicContact CD1-CD1 3.78Å; Y64-Y219 HydrophobicContact CD1-CG 4.28Å; Y64-Y219 AromaticContact CE1-CD1 3.5Å; Y64-Y219 HydrophobicContact CE1-CD1 3.5Å; Y64-Y219 VanDerWaalsContact CE1-CD1 3.5Å; Y64-Y219 HydrophobicContact CE1-CE1 4.5Å; Y64-Y219 HydrophobicContact CE1-CG 4.1Å; A178-Y219 HydrophobicContact CB-CD2 3.96Å; A178-Y219 HydrophobicContact CB-CE2 3.74Å; V179-Y219 PolarHBondContact O-N 2.71Å; F180-Y219 CarbonylContact C-O 3.5Å; F180-Y219 WeakPolarHBondContact CA-O 3.44Å; F180-Y219 HydrophobicContact CD1-CD2 4.48Å; F180-Y219 HydrophobicContact CD1-CG 4.21Å; F180-Y219 AromaticContact CE1-CD2 3.95Å; F180-Y219 HydrophobicContact CE1-CD2 3.95Å; F180-Y219 AromaticContact CE1-CG 3.82Å; F180-Y219 HydrophobicContact CE1-CG 3.82Å; F180-Y219 HydrophobicContact CZ-CD2 4.23Å; T181-Y219 PolarHBondContact N-O 3.09Å; R217-Y219 HydrophobicContact CB-CD2 4.22Å; R217-Y219 HydrophobicContact CB-CE2 3.56Å; Y219-P261 HydrophobicContact CD1-CB 3.96Å; Y219-P261 HydrophobicContact CD2-CB 4.28Å; Y219-P261 HydrophobicContact CE1-CB 3.62Å; Y219-P261 HydrophobicContact CE1-CG 3.76Å; Y219-P261 HydrophobicContact CE2-CB 3.95Å; Y219-P261 HydrophobicContact CE2-CG 4.38Å; Y219-P261 HydrophobicContact CG-CB 4.29Å
220	C	98.9	Very high	98.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	167.2	-171.8	64.9	0	0	0	0	114.2	Y64 T181 L185 F186 H222	Y64-C220 WeakPolarHBondContact CE2-O 3.47Å; Y64-C220 PolarHBondContact OH-N 3.17Å; Y64-C220 PolarHBondContact OH-O 2.8Å; T181-C220 WeakPolarHBondContact OG1-CA 3.28Å; T181-C220 WeakPolarHBondContact OG1-CB 3.49Å; L185-C220 WeakPolarHBondContact O-CB 3.49Å; F186-C220 HydrophobicContact CB-CB 4.48Å; F186-C220 HydrophobicContact CD1-CB 3.75Å; C220-H222 PolarHBondContact O-N 3.2Å
221	G	98.8	Very high	98.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-64	-32	-171.5	0	0	0	0	0	115.9	N61 Y62 G182	N61-G221 CarbonylContact C-O 3.59Å; N61-G221 VanDerWaalsContact CA-O 3.3Å; N61-G221 WeakPolarHBondContact CA-O 3.5Å; Y62-G221 PolarHBondContact N-O 3.29Å; G182-G221 PolarHBondContact O-N 3.31Å
222	H	98.8	Very high	98.8	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.019	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-139.9	155.9	-168.4	-65.4	-99.3	0	0	0	114.7	D60 N61 D107 H108 D183 F186 C220 Y224	D60-H222 CarbonylContact O-C 3.59Å; D60-H222 WeakPolarHBondContact O-CA 3.48Å; D60-H222 IonicContact OD1-CE1 3.18Å; D60-H222 IonicContact OD1-CG 2.63Å; D60-H222 IonicContact OD1-ND1 3.33Å; D60-H222 PolarHBondContact OD1-ND1 3.25Å; N61-H222 VanDerWaalsContact CG-CE1 3.43Å; N61-H222 PolarHBondContact ND2-CE1 2.99Å; N61-H222 PolarHBondContact ND2-NE2 3.01Å; D107-H222 IonicContact OD2-CE1 3.95Å; D107-H222 PolarHBondContact OD2-CE1 3.13Å; D107-H222 IonicContact OD2-NE2 2.75Å; D107-H222 PolarHBondContact OD2-NE2 3.19Å; H108-H222 AromaticContact NE2-NE2 3.44Å; H108-H222 PolarHBondContact NE2-NE2 2.9Å; D183-H222 IonicContact OD1-CD2 3.24Å; D183-H222 PolarHBondContact OD1-CD2 3.14Å; D183-H222 IonicContact OD1-NE2 2.71Å; D183-H222 PolarHBondContact OD1-NE2 2.82Å; D183-H222 IonicContact OD2-CD2 3.15Å; D183-H222 IonicContact OD2-NE2 3.18Å; D183-H222 PolarHBondContact OD2-NE2 2.95Å; F186-H222 HydrophobicContact CD1-CB 4.48Å; F186-H222 HydrophobicContact CE1-CB 4.01Å; F186-H222 AromaticContact CE1-CD2 3.75Å; F186-H222 AromaticContact CZ-CD2 3.9Å; C220-H222 PolarHBondContact O-N 3.2Å; H222-Y224 VanDerWaalsContact C-N 3.33Å; H222-Y224 HydrophobicContact CB-CD1 4.03Å; H222-Y224 HydrophobicContact CB-CD2 3.55Å; H222-Y224 HydrophobicContact CB-CE1 3.91Å; H222-Y224 HydrophobicContact CB-CE2 3.38Å; H222-Y224 HydrophobicContact CB-CG 3.86Å; H222-Y224 AromaticContact CD2-CE2 3.9Å; H222-Y224 AromaticContact CG-CE2 3.51Å; H222-Y224 AromaticContact CG-CZ 3.55Å; H222-Y224 AromaticContact ND1-CE2 3.99Å; H222-Y224 AromaticContact ND1-CZ 3.54Å; H222-Y224 PolarHBondContact ND1-OH 3.09Å; H222-Y224 PolarHBondContact O-N 2.91Å; H222-Y224 VanDerWaalsContact O-N 3.14Å
223	E	98.6	Very high	98.8	Very high	26 Å²	26	27.6 Å²	27.6	12%	0.121	14%	0.138	C	C	.	.			trans	-83.7	66.7	171.9	-170.3	47.2	-100.1	0	0	112.1	D60 Y62 T225 T259	D60-E223 HydrophobicContact CB-CB 4.38Å; D60-E223 PolarHBondContact O-N 3.24Å; Y62-E223 HydrophobicContact CE2-CB 3.68Å; Y62-E223 HydrophobicContact CE2-CG 4.29Å; Y62-E223 WeakPolarHBondContact CE2-OE2 3.2Å; Y62-E223 WeakPolarHBondContact OH-CG 3.27Å; Y62-E223 PolarHBondContact OH-OE2 2.9Å; E223-T225 PolarHBondContact OE1-OG1 2.9Å; E223-T259 WeakPolarHBondContact OE1-CG2 3.35Å; E223-T259 PolarHBondContact OE1-OG1 3.29Å; E223-T259 PolarHBondContact OE2-N 2.86Å; E223-T259 PolarHBondContact OE2-OG1 3.4Å
224	Y	98.6	Very high	98.8	Very high	77 Å²	77	28.8 Å²	28.8	30%	0.302	14%	0.138	S	C	.	.			trans	-101.4	3.6	-179.7	-66.1	-27.2	0	0	0	114.5	D60 F186 H222 I226 N227 N228	D60-Y224 HydrophobicContact CB-CE1 4.36Å; D60-Y224 WeakPolarHBondContact OD2-CE1 3.41Å; F186-Y224 HydrophobicContact CD2-CD2 4.21Å; F186-Y224 HydrophobicContact CE1-CD2 4.33Å; F186-Y224 AromaticContact CE2-CD2 3.97Å; F186-Y224 HydrophobicContact CE2-CD2 3.97Å; F186-Y224 HydrophobicContact CE2-CE2 4.26Å; F186-Y224 HydrophobicContact CG-CD2 4.47Å; F186-Y224 HydrophobicContact CZ-CD2 4.03Å; F186-Y224 HydrophobicContact CZ-CE2 4.05Å; H222-Y224 VanDerWaalsContact C-N 3.33Å; H222-Y224 HydrophobicContact CB-CD1 4.03Å; H222-Y224 HydrophobicContact CB-CD2 3.55Å; H222-Y224 HydrophobicContact CB-CE1 3.91Å; H222-Y224 HydrophobicContact CB-CE2 3.38Å; H222-Y224 HydrophobicContact CB-CG 3.86Å; H222-Y224 AromaticContact CD2-CE2 3.9Å; H222-Y224 AromaticContact CG-CE2 3.51Å; H222-Y224 AromaticContact CG-CZ 3.55Å; H222-Y224 AromaticContact ND1-CE2 3.99Å; H222-Y224 AromaticContact ND1-CZ 3.54Å; H222-Y224 PolarHBondContact ND1-OH 3.09Å; H222-Y224 PolarHBondContact O-N 2.91Å; H222-Y224 VanDerWaalsContact O-N 3.14Å; Y224-I226 PolarHBondContact O-N 3.48Å; Y224-N227 PolarHBondContact O-N 3.1Å; Y224-N227 VanDerWaalsContact O-N 3.15Å; Y224-N228 WeakPolarHBondContact O-CB 3.3Å; Y224-N228 VanDerWaalsContact O-CG 3.25Å; Y224-N228 PolarHBondContact O-N 3.16Å; Y224-N228 PolarHBondContact O-ND2 3.28Å
225	T	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.6	-45.9	-164.4	-56.2	0	0	0	0	113.9	V187 E223 N227 N228 L229 A249 T259	V187-T225 HydrophobicContact CB-CG2 3.98Å; V187-T225 WeakPolarHBondContact CB-OG1 3.3Å; V187-T225 HydrophobicContact CG1-CG2 3.55Å; E223-T225 PolarHBondContact OE1-OG1 2.9Å; T225-N227 PolarHBondContact O-N 3.22Å; T225-N228 PolarHBondContact O-N 2.84Å; T225-L229 HydrophobicContact CG2-CD1 3.64Å; T225-L229 HydrophobicContact CG2-CG 4.46Å; T225-L229 WeakPolarHBondContact O-CB 3.25Å; T225-L229 WeakPolarHBondContact O-CD1 3.43Å; T225-L229 WeakPolarHBondContact O-CG 3.37Å; T225-L229 PolarHBondContact O-N 2.8Å; T225-A249 HydrophobicContact CG2-CB 3.9Å; T225-T259 VanDerWaalsContact CB-OG1 3.27Å; T225-T259 WeakPolarHBondContact CB-OG1 3.44Å; T225-T259 HydrophobicContact CG2-CG2 4.17Å; T225-T259 PolarHBondContact OG1-OG1 3.33Å
226	I	98.8	Very high	98.8	Very high	28 Å²	28	22.1 Å²	22.1	14%	0.144	10%	0.098	C	C	.	.	H	α-helix	trans	-62.6	-46.4	-179.6	-68.5	174.8	0	0	0	111.5	Y224 L229 K230 L246 A249 K250 Y253	Y224-I226 PolarHBondContact O-N 3.48Å; I226-L229 PolarHBondContact O-N 2.85Å; I226-K230 HydrophobicContact CG2-CD 4.31Å; I226-K230 WeakPolarHBondContact O-CG 3.31Å; I226-K230 PolarHBondContact O-N 2.99Å; I226-L246 HydrophobicContact CG2-CD1 4.12Å; I226-A249 HydrophobicContact CG1-CB 3.91Å; I226-K250 HydrophobicContact CD1-CG 4.29Å; I226-Y253 HydrophobicContact CD1-CD1 4.36Å; I226-Y253 HydrophobicContact CD1-CD2 4.33Å; I226-Y253 HydrophobicContact CD1-CG 3.85Å
227	N	98.8	Very high	98.8	Very high	72 Å²	72	26.2 Å²	26.2	39%	0.385	12%	0.124	S	C	.	.	H	α-helix	trans	-70.9	-35.2	-179.5	-73.6	-17	0	0	0	111.4	Y224 T225 K230 F231 M306	Y224-N227 PolarHBondContact O-N 3.1Å; Y224-N227 VanDerWaalsContact O-N 3.15Å; T225-N227 PolarHBondContact O-N 3.22Å; N227-K230 PolarHBondContact O-N 3.09Å; N227-F231 PolarHBondContact O-N 3.46Å; N227-F231 VanDerWaalsContact O-N 3.16Å; N227-M306 HydrophobicContact CB-CE 4.12Å; N227-M306 HydrophobicContact CB-CG 4.42Å; N227-M306 HydrophobicContact CB-SD 3.82Å
228	N	98.9	Very high	98.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-47.9	172.3	-72.8	-14	0	0	0	111.4	V187 A188 Y224 T225 K230 F231 A232 K301	V187-N228 WeakPolarHBondContact O-CB 3.31Å; V187-N228 PolarHBondContact O-ND2 3.46Å; A188-N228 HydrophobicContact CB-CB 3.98Å; A188-N228 WeakPolarHBondContact O-CB 3.22Å; Y224-N228 WeakPolarHBondContact O-CB 3.3Å; Y224-N228 VanDerWaalsContact O-CG 3.25Å; Y224-N228 PolarHBondContact O-N 3.16Å; Y224-N228 PolarHBondContact O-ND2 3.28Å; T225-N228 PolarHBondContact O-N 2.84Å; N228-K230 PolarHBondContact O-N 3.42Å; N228-F231 PolarHBondContact O-N 3.31Å; N228-A232 WeakPolarHBondContact O-CB 3.49Å; N228-A232 PolarHBondContact O-N 2.8Å; N228-K301 VanDerWaalsContact OD1-CE 3.26Å; N228-K301 WeakPolarHBondContact OD1-CE 3.15Å; N228-K301 PolarHBondContact OD1-NZ 2.96Å
229	L	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.6	-31.7	179.2	-73.9	163.2	0	0	0	113.2	A188 T225 I226 F231 A232 R233 I242 K245 L246 A249 Y270	A188-L229 HydrophobicContact CB-CD2 3.51Å; A188-L229 HydrophobicContact CB-CG 3.59Å; T225-L229 HydrophobicContact CG2-CD1 3.64Å; T225-L229 HydrophobicContact CG2-CG 4.46Å; T225-L229 WeakPolarHBondContact O-CB 3.25Å; T225-L229 WeakPolarHBondContact O-CD1 3.43Å; T225-L229 WeakPolarHBondContact O-CG 3.37Å; T225-L229 PolarHBondContact O-N 2.8Å; I226-L229 PolarHBondContact O-N 2.85Å; L229-F231 VanDerWaalsContact C-N 3.32Å; L229-A232 PolarHBondContact O-N 3.24Å; L229-R233 VanDerWaalsContact O-CB 3.3Å; L229-R233 WeakPolarHBondContact O-CB 3.44Å; L229-R233 PolarHBondContact O-N 3.04Å; L229-I242 HydrophobicContact CD2-CG2 4.14Å; L229-K245 HydrophobicContact CD1-CB 4.15Å; L229-K245 HydrophobicContact CD1-CG 3.85Å; L229-K245 HydrophobicContact CD2-CB 4.07Å; L229-K245 HydrophobicContact CD2-CG 4.19Å; L229-L246 HydrophobicContact CB-CB 4.03Å; L229-L246 HydrophobicContact CB-CD1 3.85Å; L229-L246 HydrophobicContact CB-CG 4.4Å; L229-L246 HydrophobicContact CD1-CB 4.31Å; L229-A249 HydrophobicContact CD1-CB 4.05Å; L229-Y270 HydrophobicContact CD2-CD2 4.21Å; L229-Y270 HydrophobicContact CD2-CG 4.32Å
230	K	98.8	Very high	98.8	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.078	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-42.4	170.5	-78.6	174	173	-175.7	0	111.7	I226 N227 N228 H234 L246 M306 P307 R308	I226-K230 HydrophobicContact CG2-CD 4.31Å; I226-K230 WeakPolarHBondContact O-CG 3.31Å; I226-K230 PolarHBondContact O-N 2.99Å; N227-K230 PolarHBondContact O-N 3.09Å; N228-K230 PolarHBondContact O-N 3.42Å; K230-H234 PolarHBondContact O-N 2.96Å; K230-L246 HydrophobicContact CG-CD1 4.4Å; K230-L246 HydrophobicContact CG-CD2 4.43Å; K230-M306 HydrophobicContact CB-SD 4.43Å; K230-P307 HydrophobicContact CB-CG 4.32Å; K230-P307 HydrophobicContact CD-CG 4.25Å; K230-P307 WeakPolarHBondContact CE-O 3.44Å; K230-P307 HydrophobicContact CG-CG 4.42Å; K230-P307 PolarHBondContact NZ-O 3.3Å; K230-R308 PolarHBondContact NZ-O 3.3Å
231	F	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.1	-43.7	173.6	177.5	-103.4	0	0	0	111.7	N227 N228 L229 R233 H234 V235 P272 F273 V297 E300 K301 F304	N227-F231 PolarHBondContact O-N 3.46Å; N227-F231 VanDerWaalsContact O-N 3.16Å; N228-F231 PolarHBondContact O-N 3.31Å; L229-F231 VanDerWaalsContact C-N 3.32Å; F231-R233 PolarHBondContact O-N 3.04Å; F231-H234 WeakPolarHBondContact O-CA 3.29Å; F231-H234 VanDerWaalsContact O-CB 3.31Å; F231-H234 WeakPolarHBondContact O-CB 3.26Å; F231-H234 PolarHBondContact O-N 3.35Å; F231-V235 HydrophobicContact CD1-CG2 4.11Å; F231-V235 HydrophobicContact CE1-CG2 3.57Å; F231-V235 HydrophobicContact CE2-CG2 4.08Å; F231-V235 HydrophobicContact CZ-CG2 3.55Å; F231-V235 PolarHBondContact O-N 3.37Å; F231-P272 HydrophobicContact CD1-CG 4.2Å; F231-P272 HydrophobicContact CE1-CG 4.22Å; F231-F273 HydrophobicContact CE1-CZ 4.27Å; F231-V297 HydrophobicContact CE1-CG1 3.69Å; F231-V297 HydrophobicContact CZ-CG1 3.94Å; F231-V297 WeakPolarHBondContact CZ-O 3.5Å; F231-E300 HydrophobicContact CE2-CB 4.28Å; F231-E300 HydrophobicContact CE2-CG 3.99Å; F231-E300 HydrophobicContact CZ-CB 4.23Å; F231-E300 HydrophobicContact CZ-CG 4.36Å; F231-K301 HydrophobicContact CB-CD 4.47Å; F231-K301 HydrophobicContact CB-CG 4.37Å; F231-K301 HydrophobicContact CD1-CB 3.92Å; F231-K301 HydrophobicContact CD1-CD 3.56Å; F231-K301 HydrophobicContact CD1-CG 3.73Å; F231-K301 HydrophobicContact CD2-CB 4.13Å; F231-K301 HydrophobicContact CD2-CG 4.11Å; F231-K301 HydrophobicContact CE1-CB 3.63Å; F231-K301 HydrophobicContact CE1-CD 3.97Å; F231-K301 HydrophobicContact CE1-CG 4Å; F231-K301 HydrophobicContact CE2-CB 3.86Å; F231-K301 HydrophobicContact CE2-CG 4.37Å; F231-K301 HydrophobicContact CG-CB 4.14Å; F231-K301 HydrophobicContact CG-CD 4.02Å; F231-K301 HydrophobicContact CG-CG 3.78Å; F231-K301 HydrophobicContact CZ-CB 3.61Å; F231-K301 HydrophobicContact CZ-CG 4.31Å; F231-F304 HydrophobicContact CB-CD1 4.14Å; F231-F304 HydrophobicContact CB-CE1 4.22Å; F231-F304 HydrophobicContact CD2-CB 3.9Å; F231-F304 AromaticContact CD2-CD1 3.83Å; F231-F304 HydrophobicContact CD2-CD1 3.83Å; F231-F304 AromaticContact CD2-CD2 3.98Å; F231-F304 HydrophobicContact CD2-CD2 3.98Å; F231-F304 HydrophobicContact CD2-CE1 4.29Å; F231-F304 HydrophobicContact CD2-CE2 4.44Å; F231-F304 AromaticContact CD2-CG 3.64Å; F231-F304 HydrophobicContact CD2-CG 3.64Å; F231-F304 HydrophobicContact CE2-CB 4.25Å; F231-F304 HydrophobicContact CE2-CD2 4.39Å; F231-F304 HydrophobicContact CE2-CG 4.29Å; F231-F304 HydrophobicContact CG-CD1 4.47Å
232	A	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-40	175.9	0	0	0	0	0	111.8	N228 L229 H234 V235 E236 I242 Y270 P272	N228-A232 WeakPolarHBondContact O-CB 3.49Å; N228-A232 PolarHBondContact O-N 2.8Å; L229-A232 PolarHBondContact O-N 3.24Å; A232-H234 VanDerWaalsContact C-N 3.27Å; A232-H234 PolarHBondContact O-N 2.98Å; A232-V235 PolarHBondContact O-N 2.8Å; A232-E236 PolarHBondContact O-N 2.8Å; A232-I242 HydrophobicContact CB-CD1 3.87Å; A232-I242 HydrophobicContact CB-CG1 4.26Å; A232-I242 HydrophobicContact CB-CG2 3.98Å; A232-I242 WeakPolarHBondContact O-CD1 3.25Å; A232-Y270 WeakPolarHBondContact CB-O 3.37Å; A232-P272 HydrophobicContact CB-CG 4.19Å
233	R	98.8	Very high	98.7	Very high	74 Å²	74	36.5 Å²	36.5	28%	0.279	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-29.8	175.9	-172	-177.2	67.7	-168.6	-0.8	112.5	L229 F231 P237 I242 D309	L229-R233 VanDerWaalsContact O-CB 3.3Å; L229-R233 WeakPolarHBondContact O-CB 3.44Å; L229-R233 PolarHBondContact O-N 3.04Å; F231-R233 PolarHBondContact O-N 3.04Å; R233-P237 WeakPolarHBondContact O-CA 3.29Å; R233-P237 WeakPolarHBondContact O-CG 3.31Å; R233-I242 HydrophobicContact CB-CG2 3.85Å; R233-D309 PolarHBondContact NH1-OXT 3.2Å; R233-D309 VanDerWaalsContact NH1-OXT 3.08Å; R233-D309 PolarHBondContact NH2-O 2.85Å; R233-D309 PolarHBondContact NH2-OXT 3.5Å
234	H	98.7	Very high	98.8	Very high	77 Å²	77	42 Å²	42	36%	0.356	24%	0.237	S	C	.	.	H	α-helix	trans	-71.2	-42	172.4	168	82.1	0	0	0	111.3	K230 F231 A232 H284 E300 F304	K230-H234 PolarHBondContact O-N 2.96Å; F231-H234 WeakPolarHBondContact O-CA 3.29Å; F231-H234 VanDerWaalsContact O-CB 3.31Å; F231-H234 WeakPolarHBondContact O-CB 3.26Å; F231-H234 PolarHBondContact O-N 3.35Å; A232-H234 VanDerWaalsContact C-N 3.27Å; A232-H234 PolarHBondContact O-N 2.98Å; H234-H284 AromaticContact CD2-CE1 3.88Å; H234-H284 AromaticContact NE2-CE1 3.64Å; H234-E300 IonicContact CD2-OE1 2.91Å; H234-E300 PolarHBondContact CD2-OE1 3.37Å; H234-E300 IonicContact CE1-OE1 3.7Å; H234-E300 IonicContact NE2-OE1 3.77Å; H234-E300 PolarHBondContact NE2-OE1 2.9Å; H234-F304 HydrophobicContact CB-CE2 3.91Å; H234-F304 HydrophobicContact CB-CZ 3.87Å; H234-F304 AromaticContact CD2-CE2 3.91Å; H234-F304 AromaticContact CG-CE2 3.62Å; H234-F304 AromaticContact ND1-CE2 3.9Å
235	V	98.8	Very high	98.8	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-68.8	-42.2	178.4	178.9	0	0	0	0	112.4	F231 A232 P272 V281 H284 V297	F231-V235 HydrophobicContact CD1-CG2 4.11Å; F231-V235 HydrophobicContact CE1-CG2 3.57Å; F231-V235 HydrophobicContact CE2-CG2 4.08Å; F231-V235 HydrophobicContact CZ-CG2 3.55Å; F231-V235 PolarHBondContact O-N 3.37Å; A232-V235 PolarHBondContact O-N 2.8Å; V235-P272 HydrophobicContact CB-CB 4.36Å; V235-P272 HydrophobicContact CG1-CB 4.11Å; V235-P272 HydrophobicContact CG2-CB 4.39Å; V235-V281 HydrophobicContact CG1-CG1 4.1Å; V235-V281 HydrophobicContact CG1-CG2 4.4Å; V235-H284 HydrophobicContact CG1-CB 4.2Å; V235-V297 HydrophobicContact CG2-CG1 4.5Å
236	E	98.8	Very high	98.8	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.056	23%	0.229	C	C	.	.			trans	-130	75.3	179.8	-60.5	-174.4	106	0	0	111.9	A232 G238 N239 I242 R275 T280 V281	A232-E236 PolarHBondContact O-N 2.8Å; E236-G238 PolarHBondContact O-N 2.7Å; E236-G238 VanDerWaalsContact O-N 3.11Å; E236-N239 HydrophobicContact CB-CB 3.8Å; E236-N239 WeakPolarHBondContact O-CB 3.47Å; E236-N239 PolarHBondContact O-N 3.28Å; E236-N239 PolarHBondContact OE2-ND2 3.29Å; E236-I242 HydrophobicContact CB-CD1 3.89Å; E236-R275 IonicContact OE1-CZ 3.28Å; E236-R275 IonicContact OE1-NE 2.67Å; E236-R275 IonicContact OE1-NH2 3.78Å; E236-R275 PolarHBondContact OE1-NH2 3.38Å; E236-R275 IonicContact OE2-CZ 2.78Å; E236-R275 IonicContact OE2-NE 3.78Å; E236-R275 PolarHBondContact OE2-NE 2.72Å; E236-R275 IonicContact OE2-NH2 3.55Å; E236-R275 PolarHBondContact OE2-NH2 2.96Å; E236-T280 WeakPolarHBondContact OE1-CB 3.32Å; E236-T280 PolarHBondContact OE1-OG1 2.92Å; E236-V281 HydrophobicContact CG-CG2 3.96Å
237	P	98.5	Very high	98.8	Very high	86 Å²	86	41.3 Å²	41.3	56%	0.558	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.5	-176.2	-25.7	34.1	0	0	0	114.7	R233 Q243	R233-P237 WeakPolarHBondContact O-CA 3.29Å; R233-P237 WeakPolarHBondContact O-CG 3.31Å; P237-Q243 PolarHBondContact O-NE2 3.02Å; P237-Q243 VanDerWaalsContact O-NE2 3.07Å
238	G	98.4	Very high	98.8	Very high	78 Å²	78	42 Å²	42	80%	0.804	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.5	179.5	0	0	0	0	0	115.4	E236 A240	E236-G238 PolarHBondContact O-N 2.7Å; E236-G238 VanDerWaalsContact O-N 3.11Å; G238-A240 PolarHBondContact O-N 3.27Å
239	N	98.8	Very high	98.7	Very high	28 Å²	28	42 Å²	42	15%	0.15	24%	0.243	C	C	.	.			trans	-85.9	106.6	-177.6	-177.2	-13.9	0	0	0	111	E236 A241 I242 T269	E236-N239 HydrophobicContact CB-CB 3.8Å; E236-N239 WeakPolarHBondContact O-CB 3.47Å; E236-N239 PolarHBondContact O-N 3.28Å; E236-N239 PolarHBondContact OE2-ND2 3.29Å; N239-A241 VanDerWaalsContact C-N 3.33Å; N239-A241 PolarHBondContact O-N 2.84Å; N239-A241 WeakPolarHBondContact OD1-CB 3.47Å; N239-A241 PolarHBondContact OD1-N 3.03Å; N239-A241 VanDerWaalsContact OD1-N 3.12Å; N239-I242 HydrophobicContact CB-CD1 3.71Å; N239-I242 HydrophobicContact CB-CG1 4.07Å; N239-I242 PolarHBondContact O-N 2.85Å; N239-T269 PolarHBondContact ND2-O 3.38Å
240	A	98.7	Very high	98.7	Very high	55 Å²	55	45.4 Å²	45.4	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-34.6	-177.6	0	0	0	0	0	113.4	G238 I242 Q243 E244	G238-A240 PolarHBondContact O-N 3.27Å; A240-I242 PolarHBondContact O-N 2.85Å; A240-Q243 PolarHBondContact O-N 3.35Å; A240-E244 WeakPolarHBondContact O-CG 3.33Å; A240-E244 PolarHBondContact O-N 2.58Å
241	A	98.9	Very high	98.7	Very high	29 Å²	29	50 Å²	50	24%	0.24	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-35.6	179.6	0	0	0	0	0	111.8	N239 K245	N239-A241 VanDerWaalsContact C-N 3.33Å; N239-A241 PolarHBondContact O-N 2.84Å; N239-A241 WeakPolarHBondContact OD1-CB 3.47Å; N239-A241 PolarHBondContact OD1-N 3.03Å; N239-A241 VanDerWaalsContact OD1-N 3.12Å; A241-K245 VanDerWaalsContact O-CB 3.22Å; A241-K245 WeakPolarHBondContact O-CB 3.42Å; A241-K245 PolarHBondContact O-N 3Å
242	I	98.9	Very high	98.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-44.7	174.3	-63.2	173.7	0	0	0	110.8	L229 A232 R233 E236 N239 A240 L246	L229-I242 HydrophobicContact CD2-CG2 4.14Å; A232-I242 HydrophobicContact CB-CD1 3.87Å; A232-I242 HydrophobicContact CB-CG1 4.26Å; A232-I242 HydrophobicContact CB-CG2 3.98Å; A232-I242 WeakPolarHBondContact O-CD1 3.25Å; R233-I242 HydrophobicContact CB-CG2 3.85Å; E236-I242 HydrophobicContact CB-CD1 3.89Å; N239-I242 HydrophobicContact CB-CD1 3.71Å; N239-I242 HydrophobicContact CB-CG1 4.07Å; N239-I242 PolarHBondContact O-N 2.85Å; A240-I242 PolarHBondContact O-N 2.85Å; I242-L246 VanDerWaalsContact O-CB 3.24Å; I242-L246 WeakPolarHBondContact O-CB 3.43Å; I242-L246 PolarHBondContact O-N 3.11Å
243	Q	98.5	Very high	98.4	Very high	100 Å²	100	59.7 Å²	59.7	47%	0.467	32%	0.319	S	S	.	.	H	α-helix	trans	-66.6	-45.4	-176.6	-59.1	-177.8	26.3	0	0	111.2	P237 A240 L246 A247	P237-Q243 PolarHBondContact O-NE2 3.02Å; P237-Q243 VanDerWaalsContact O-NE2 3.07Å; A240-Q243 PolarHBondContact O-N 3.35Å; Q243-L246 PolarHBondContact O-N 2.88Å; Q243-A247 PolarHBondContact O-N 3.12Å
244	E	98.8	Very high	98.2	Very high	142 Å²	142	59.9 Å²	59.9	66%	0.664	33%	0.332	S	S	*	.	H	α-helix	trans	-63.5	-46.9	177	-69.2	175	-174.1	0	0	111.3	A240 L246 A247 W248	A240-E244 WeakPolarHBondContact O-CG 3.33Å; A240-E244 PolarHBondContact O-N 2.58Å; E244-L246 VanDerWaalsContact C-N 3.29Å; E244-L246 PolarHBondContact O-N 2.63Å; E244-A247 PolarHBondContact O-N 3.46Å; E244-W248 PolarHBondContact O-N 2.86Å
245	K	98.9	Very high	98.1	Very high	21 Å²	21	59.4 Å²	59.4	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-34.6	177.6	-164.6	71	172.5	-178.7	0	111.7	L229 A241 W248 A249 E266 Y270	L229-K245 HydrophobicContact CD1-CB 4.15Å; L229-K245 HydrophobicContact CD1-CG 3.85Å; L229-K245 HydrophobicContact CD2-CB 4.07Å; L229-K245 HydrophobicContact CD2-CG 4.19Å; A241-K245 VanDerWaalsContact O-CB 3.22Å; A241-K245 WeakPolarHBondContact O-CB 3.42Å; A241-K245 PolarHBondContact O-N 3Å; K245-W248 HydrophobicContact CD-CD2 4.48Å; K245-W248 HydrophobicContact CD-CE3 3.81Å; K245-W248 HydrophobicContact CD-CZ3 4.16Å; K245-W248 HydrophobicContact CG-CE3 4.38Å; K245-A249 VanDerWaalsContact O-CB 3.29Å; K245-A249 WeakPolarHBondContact O-CB 3.46Å; K245-A249 PolarHBondContact O-N 3.01Å; K245-E266 IonicContact NZ-OE1 3.61Å; K245-E266 PolarHBondContact NZ-OE1 3.4Å; K245-Y270 HydrophobicContact CB-CD1 4.06Å; K245-Y270 HydrophobicContact CB-CE1 4.26Å; K245-Y270 HydrophobicContact CD-CD1 4.41Å; K245-Y270 HydrophobicContact CD-CE1 3.77Å; K245-Y270 HydrophobicContact CG-CD1 3.96Å; K245-Y270 HydrophobicContact CG-CE1 3.68Å
246	L	98.8	Very high	97.9	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-67.8	-42.4	175.8	179.1	58.2	0	0	0	111.9	I226 L229 K230 I242 Q243 E244 A249 K250	I226-L246 HydrophobicContact CG2-CD1 4.12Å; L229-L246 HydrophobicContact CB-CB 4.03Å; L229-L246 HydrophobicContact CB-CD1 3.85Å; L229-L246 HydrophobicContact CB-CG 4.4Å; L229-L246 HydrophobicContact CD1-CB 4.31Å; K230-L246 HydrophobicContact CG-CD1 4.4Å; K230-L246 HydrophobicContact CG-CD2 4.43Å; I242-L246 VanDerWaalsContact O-CB 3.24Å; I242-L246 WeakPolarHBondContact O-CB 3.43Å; I242-L246 PolarHBondContact O-N 3.11Å; Q243-L246 PolarHBondContact O-N 2.88Å; E244-L246 VanDerWaalsContact C-N 3.29Å; E244-L246 PolarHBondContact O-N 2.63Å; L246-A249 PolarHBondContact O-N 3.31Å; L246-K250 HydrophobicContact CD1-CG 4.39Å; L246-K250 WeakPolarHBondContact O-CG 3.43Å; L246-K250 PolarHBondContact O-N 3.28Å
247	A	98.6	Very high	97.8	Very high	62 Å²	62	61.9 Å²	61.9	51%	0.512	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-46.8	175.2	0	0	0	0	0	110.9	Q243 E244 A249 K250 E251	Q243-A247 PolarHBondContact O-N 3.12Å; E244-A247 PolarHBondContact O-N 3.46Å; A247-A249 PolarHBondContact O-N 3.29Å; A247-K250 PolarHBondContact O-N 3.24Å; A247-E251 PolarHBondContact O-N 3.05Å; A247-E251 VanDerWaalsContact O-N 3.11Å
248	W	98.8	Very high	97.7	Very high	87 Å²	87	58 Å²	58	33%	0.33	32%	0.32	S	S	.	.	H	α-helix	trans	-58.7	-45	174.3	170.1	88.7	0	0	0	112.6	E244 K245 K250 E251 K252 T259	E244-W248 PolarHBondContact O-N 2.86Å; K245-W248 HydrophobicContact CD-CD2 4.48Å; K245-W248 HydrophobicContact CD-CE3 3.81Å; K245-W248 HydrophobicContact CD-CZ3 4.16Å; K245-W248 HydrophobicContact CG-CE3 4.38Å; W248-K250 PolarHBondContact O-N 2.72Å; W248-E251 PolarHBondContact O-N 3.08Å; W248-K252 HydrophobicContact CD2-CG 4.09Å; W248-K252 HydrophobicContact CH2-CG 4.22Å; W248-K252 HydrophobicContact CZ2-CD 4.31Å; W248-K252 HydrophobicContact CZ2-CG 3.72Å; W248-K252 PolarHBondContact O-N 3.28Å; W248-T259 HydrophobicContact CH2-CG2 4.37Å; W248-T259 WeakPolarHBondContact CH2-O 3.2Å; W248-T259 HydrophobicContact CZ3-CG2 4.05Å
249	A	98.6	Very high	97.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-38.2	-179.4	0	0	0	0	0	112.1	T225 I226 L229 K245 L246 A247 E251 K252 Y253 T259	T225-A249 HydrophobicContact CG2-CB 3.9Å; I226-A249 HydrophobicContact CG1-CB 3.91Å; L229-A249 HydrophobicContact CD1-CB 4.05Å; K245-A249 VanDerWaalsContact O-CB 3.29Å; K245-A249 WeakPolarHBondContact O-CB 3.46Å; K245-A249 PolarHBondContact O-N 3.01Å; L246-A249 PolarHBondContact O-N 3.31Å; A247-A249 PolarHBondContact O-N 3.29Å; A249-E251 VanDerWaalsContact C-N 3.31Å; A249-E251 PolarHBondContact O-N 3.03Å; A249-K252 PolarHBondContact O-N 2.99Å; A249-Y253 WeakPolarHBondContact O-CB 3.36Å; A249-Y253 PolarHBondContact O-N 3.48Å; A249-T259 HydrophobicContact CB-CG2 4.07Å
250	K	98.1	Very high	97.7	Very high	73 Å²	73	53.1 Å²	53.1	32%	0.317	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-39.3	173.3	-75.1	-177.4	179.6	-172.5	0	111.6	I226 L246 A247 W248 S254 D309	I226-K250 HydrophobicContact CD1-CG 4.29Å; L246-K250 HydrophobicContact CD1-CG 4.39Å; L246-K250 WeakPolarHBondContact O-CG 3.43Å; L246-K250 PolarHBondContact O-N 3.28Å; A247-K250 PolarHBondContact O-N 3.24Å; W248-K250 PolarHBondContact O-N 2.72Å; K250-S254 WeakPolarHBondContact O-CB 3.47Å; K250-S254 PolarHBondContact O-N 3.38Å; K250-D309 PolarHBondContact NZ-OXT 3.41Å
251	E	98	Very high	97.7	Very high	113 Å²	113	52 Å²	52	53%	0.528	26%	0.264	S	S	.	.	H	α-helix	trans	-68.4	-44.9	176.2	-177.1	58.8	-166.8	0	0	112	A247 W248 A249 Y253 S254 I255	A247-E251 PolarHBondContact O-N 3.05Å; A247-E251 VanDerWaalsContact O-N 3.11Å; W248-E251 PolarHBondContact O-N 3.08Å; A249-E251 VanDerWaalsContact C-N 3.31Å; A249-E251 PolarHBondContact O-N 3.03Å; E251-Y253 VanDerWaalsContact C-N 3.29Å; E251-Y253 PolarHBondContact O-N 2.93Å; E251-S254 PolarHBondContact O-N 2.97Å; E251-S254 VanDerWaalsContact O-N 3.11Å; E251-S254 PolarHBondContact O-OG 3.3Å; E251-S254 PolarHBondContact OE2-OG 3.45Å; E251-I255 PolarHBondContact O-N 3.29Å
252	K	97.5	Very high	97.7	Very high	52 Å²	52	50.7 Å²	50.7	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-44.9	174	-72.7	-61.4	-171.7	-175.5	0	112.2	W248 A249 S254 I255 G256 E257 T259	W248-K252 HydrophobicContact CD2-CG 4.09Å; W248-K252 HydrophobicContact CH2-CG 4.22Å; W248-K252 HydrophobicContact CZ2-CD 4.31Å; W248-K252 HydrophobicContact CZ2-CG 3.72Å; W248-K252 PolarHBondContact O-N 3.28Å; A249-K252 PolarHBondContact O-N 2.99Å; K252-S254 VanDerWaalsContact C-N 3.35Å; K252-S254 PolarHBondContact O-N 3.12Å; K252-I255 WeakPolarHBondContact O-CG1 3.5Å; K252-I255 PolarHBondContact O-N 3.34Å; K252-G256 PolarHBondContact O-N 3.06Å; K252-E257 CarbonylContact C-O 3.34Å; K252-E257 HydrophobicContact CD-CB 3.89Å; K252-E257 WeakPolarHBondContact CD-OE2 3.37Å; K252-E257 IonicContact NZ-OE2 2.71Å; K252-E257 PolarHBondContact NZ-OE2 2.72Å; K252-E257 PolarHBondContact O-N 3.49Å; K252-T259 HydrophobicContact CB-CG2 4.09Å
253	Y	94.6	Very high	97.7	Very high	152 Å²	152	51.9 Å²	51.9	60%	0.596	26%	0.261	S	S	*	.	H	α-helix	trans	-62.6	-39.4	176.1	-175.1	-97.4	0	0	0	112.7	I226 A249 E251 I255 G256	I226-Y253 HydrophobicContact CD1-CD1 4.36Å; I226-Y253 HydrophobicContact CD1-CD2 4.33Å; I226-Y253 HydrophobicContact CD1-CG 3.85Å; A249-Y253 WeakPolarHBondContact O-CB 3.36Å; A249-Y253 PolarHBondContact O-N 3.48Å; E251-Y253 VanDerWaalsContact C-N 3.29Å; E251-Y253 PolarHBondContact O-N 2.93Å; Y253-I255 VanDerWaalsContact C-N 3.27Å; Y253-I255 PolarHBondContact O-N 2.98Å; Y253-G256 PolarHBondContact O-N 2.78Å
254	S	95.5	Very high	97.7	Very high	79 Å²	79	47.2 Å²	47.2	55%	0.552	24%	0.239	S	C	*	.	H	α-helix	trans	-62.8	-33.4	-178.8	84.8	0	0	0	0	112.6	K250 E251 K252	K250-S254 WeakPolarHBondContact O-CB 3.47Å; K250-S254 PolarHBondContact O-N 3.38Å; E251-S254 PolarHBondContact O-N 2.97Å; E251-S254 VanDerWaalsContact O-N 3.11Å; E251-S254 PolarHBondContact O-OG 3.3Å; E251-S254 PolarHBondContact OE2-OG 3.45Å; K252-S254 VanDerWaalsContact C-N 3.35Å; K252-S254 PolarHBondContact O-N 3.12Å
255	I	95.8	Very high	97.8	Very high	66 Å²	66	42.6 Å²	42.6	34%	0.338	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1.9	179.2	67.2	176.2	0	0	0	114.1	K41 E251 K252 Y253 E257	K41-I255 WeakPolarHBondContact CE-O 3.44Å; K41-I255 PolarHBondContact NZ-O 2.93Å; E251-I255 PolarHBondContact O-N 3.29Å; K252-I255 WeakPolarHBondContact O-CG1 3.5Å; K252-I255 PolarHBondContact O-N 3.34Å; Y253-I255 VanDerWaalsContact C-N 3.27Å; Y253-I255 PolarHBondContact O-N 2.98Å; I255-E257 HydrophobicContact CD1-CB 4.34Å; I255-E257 VanDerWaalsContact CD1-CD 3.49Å; I255-E257 HydrophobicContact CD1-CG 3.97Å; I255-E257 HydrophobicContact CG1-CB 4.12Å; I255-E257 HydrophobicContact CG1-CG 3.97Å
256	G	94.9	Very high	97.8	Very high	12 Å²	12	44.4 Å²	44.4	12%	0.124	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	24.9	178.5	0	0	0	0	0	114.5	L39 R40 K41 K252 Y253	L39-G256 VanDerWaalsContact O-CA 3.31Å; L39-G256 WeakPolarHBondContact O-CA 3.43Å; R40-G256 WeakPolarHBondContact CA-O 3.42Å; K41-G256 PolarHBondContact N-O 3.33Å; K252-G256 PolarHBondContact O-N 3.06Å; Y253-G256 PolarHBondContact O-N 2.78Å
257	E	96	Very high	97.8	Very high	58 Å²	58	44.1 Å²	44.1	27%	0.271	23%	0.232	S	C	.	.			trans	-95.8	144.8	176.7	-76	-178.2	-168.8	0	0	112	K252 I255	K252-E257 CarbonylContact C-O 3.34Å; K252-E257 HydrophobicContact CD-CB 3.89Å; K252-E257 WeakPolarHBondContact CD-OE2 3.37Å; K252-E257 IonicContact NZ-OE2 2.71Å; K252-E257 PolarHBondContact NZ-OE2 2.72Å; K252-E257 PolarHBondContact O-N 3.49Å; I255-E257 HydrophobicContact CD1-CB 4.34Å; I255-E257 VanDerWaalsContact CD1-CD 3.49Å; I255-E257 HydrophobicContact CD1-CG 3.97Å; I255-E257 HydrophobicContact CG1-CB 4.12Å; I255-E257 HydrophobicContact CG1-CG 3.97Å
258	P	97.7	Very high	97.8	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.019	22%	0.22	C	C	.	.			trans	-60.2	150.4	171	-24.3	35.5	0	0	0	112.9	K41 L43 V54 Y62 V260	K41-P258 WeakPolarHBondContact O-CD 3.47Å; K41-P258 WeakPolarHBondContact O-CG 3.45Å; L43-P258 HydrophobicContact CB-CG 4.08Å; V54-P258 HydrophobicContact CG1-CB 4.23Å; V54-P258 HydrophobicContact CG1-CG 4.02Å; Y62-P258 HydrophobicContact CE1-CB 4.04Å; Y62-P258 HydrophobicContact CE1-CG 4.02Å; Y62-P258 HydrophobicContact CE2-CB 4.43Å; Y62-P258 WeakPolarHBondContact OH-CA 3.33Å; Y62-P258 WeakPolarHBondContact OH-CB 3.39Å; P258-V260 HydrophobicContact CB-CG2 3.84Å
259	T	98.6	Very high	97.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.221	C	C	.	.			trans	-93.4	2.6	170.5	62.4	0	0	0	0	113.6	E223 T225 W248 A249 K252	E223-T259 WeakPolarHBondContact OE1-CG2 3.35Å; E223-T259 PolarHBondContact OE1-OG1 3.29Å; E223-T259 PolarHBondContact OE2-N 2.86Å; E223-T259 PolarHBondContact OE2-OG1 3.4Å; T225-T259 VanDerWaalsContact CB-OG1 3.27Å; T225-T259 WeakPolarHBondContact CB-OG1 3.44Å; T225-T259 HydrophobicContact CG2-CG2 4.17Å; T225-T259 PolarHBondContact OG1-OG1 3.33Å; W248-T259 HydrophobicContact CH2-CG2 4.37Å; W248-T259 WeakPolarHBondContact CH2-O 3.2Å; W248-T259 HydrophobicContact CZ3-CG2 4.05Å; A249-T259 HydrophobicContact CB-CG2 4.07Å; K252-T259 HydrophobicContact CB-CG2 4.09Å
260	V	98.6	Very high	97.8	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	22%	0.221	C	C	.	.			trans	-95.1	151.1	169.8	-68.8	0	0	0	0	110.3	V54 Y62 Y64 V187 P258	V54-V260 HydrophobicContact CG1-CG2 3.87Å; V54-V260 HydrophobicContact CG2-CG2 4.17Å; Y62-V260 HydrophobicContact CD2-CG1 4.38Å; Y62-V260 HydrophobicContact CD2-CG2 3.86Å; Y62-V260 HydrophobicContact CE2-CG1 4.39Å; Y62-V260 HydrophobicContact CE2-CG2 3.79Å; Y62-V260 HydrophobicContact CG-CG2 4.39Å; Y64-V260 HydrophobicContact CE1-CG2 4.19Å; V187-V260 HydrophobicContact CG2-CG1 4.08Å; P258-V260 HydrophobicContact CB-CG2 3.84Å
261	P	98.6	Very high	97.8	Very high	31 Å²	31	39.1 Å²	39.1	20%	0.201	21%	0.206	C	C	.	.			cis	-78.6	158	-8	33.3	-36.4	0	0	0	112.8	V45 R217 V218 Y219	V45-P261 HydrophobicContact CG2-CG 4.28Å; R217-P261 HydrophobicContact CB-CB 3.89Å; R217-P261 HydrophobicContact CB-CG 4.31Å; R217-P261 HydrophobicContact CG-CB 4.12Å; R217-P261 HydrophobicContact CG-CG 4.05Å; V218-P261 VanDerWaalsContact O-CA 3.27Å; V218-P261 WeakPolarHBondContact O-CA 3.38Å; V218-P261 WeakPolarHBondContact O-CB 3.4Å; Y219-P261 HydrophobicContact CD1-CB 3.96Å; Y219-P261 HydrophobicContact CD2-CB 4.28Å; Y219-P261 HydrophobicContact CE1-CB 3.62Å; Y219-P261 HydrophobicContact CE1-CG 3.76Å; Y219-P261 HydrophobicContact CE2-CB 3.95Å; Y219-P261 HydrophobicContact CE2-CG 4.38Å; Y219-P261 HydrophobicContact CG-CB 4.29Å
262	S	98.8	Very high	97.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-170.6	153.1	64.8	0	0	0	0	110	R217 V218 E267 Y270	R217-S262 CarbonylContact C-O 3.56Å; R217-S262 VanDerWaalsContact CA-O 3.31Å; R217-S262 WeakPolarHBondContact CA-O 3.13Å; V218-S262 PolarHBondContact N-O 3.18Å; V218-S262 PolarHBondContact O-N 3.25Å; S262-E267 VanDerWaalsContact CB-OE1 3.26Å; S262-E267 WeakPolarHBondContact CB-OE1 3.4Å; S262-E267 PolarHBondContact OG-OE1 2.64Å; S262-Y270 VanDerWaalsContact CB-OH 3.29Å; S262-Y270 WeakPolarHBondContact CB-OH 3.22Å
263	T	98.9	Very high	98	Very high	26 Å²	26	31.3 Å²	31.3	16%	0.16	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156.2	168.6	58.8	0	0	0	0	111.5	T216 A265 E266 E267	T216-T263 VanDerWaalsContact O-CA 3.29Å; T216-T263 WeakPolarHBondContact O-CA 3.48Å; T263-A265 PolarHBondContact O-N 3.06Å; T263-E266 PolarHBondContact N-OE2 3.4Å; T263-E266 WeakPolarHBondContact O-CB 3.45Å; T263-E266 PolarHBondContact O-N 3.07Å; T263-E266 VanDerWaalsContact O-N 3.11Å; T263-E266 WeakPolarHBondContact OG1-CB 3.45Å; T263-E266 VanDerWaalsContact OG1-CG 3.25Å; T263-E266 WeakPolarHBondContact OG1-CG 3.48Å; T263-E266 PolarHBondContact OG1-N 3.04Å; T263-E266 PolarHBondContact OG1-OE2 3.24Å; T263-E267 WeakPolarHBondContact O-CG 3.47Å; T263-E267 PolarHBondContact O-N 3.28Å
264	L	98.9	Very high	98.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-36.9	175.3	-72.4	175.6	0	0	0	112.4	L185 L209 L212 P214 T216 V218 E266 E267 F268 M274	L185-L264 HydrophobicContact CD2-CD2 3.91Å; L209-L264 WeakPolarHBondContact O-CD1 3.48Å; L212-L264 HydrophobicContact CB-CD1 3.55Å; L212-L264 HydrophobicContact CD1-CD1 4.25Å; L212-L264 HydrophobicContact CG-CD1 4.45Å; P214-L264 PolarHBondContact O-N 3.06Å; T216-L264 HydrophobicContact CG2-CD1 4.4Å; T216-L264 PolarHBondContact O-N 3.11Å; T216-L264 VanDerWaalsContact O-N 3.12Å; V218-L264 HydrophobicContact CG2-CD2 3.72Å; V218-L264 HydrophobicContact CG2-CG 3.87Å; L264-E266 VanDerWaalsContact C-N 3.34Å; L264-E266 PolarHBondContact O-N 3.12Å; L264-E267 PolarHBondContact O-N 2.84Å; L264-F268 WeakPolarHBondContact O-CD2 3.39Å; L264-F268 PolarHBondContact O-N 3.4Å; L264-F268 VanDerWaalsContact O-N 3.16Å; L264-M274 HydrophobicContact CD2-CE 4.31Å
265	A	98.9	Very high	98.3	Very high	45 Å²	45	22 Å²	22	37%	0.372	12%	0.122	S	C	.	.	H	α-helix	trans	-56	-48.6	173	0	0	0	0	0	111.6	P214 T263 F268 T269	P214-A265 HydrophobicContact CB-CB 4.04Å; P214-A265 VanDerWaalsContact O-CB 3.3Å; P214-A265 WeakPolarHBondContact O-CB 3.22Å; P214-A265 PolarHBondContact O-N 3.31Å; T263-A265 PolarHBondContact O-N 3.06Å; A265-F268 PolarHBondContact O-N 2.76Å; A265-T269 WeakPolarHBondContact O-CG2 3.09Å
266	E	98.9	Very high	98.5	Very high	60 Å²	60	18.9 Å²	18.9	28%	0.28	11%	0.106	S	C	.	.	H	α-helix	trans	-60	-45.5	175.8	-80.2	173.8	102.9	0	0	112	K245 T263 L264 F268 T269 Y270	K245-E266 IonicContact NZ-OE1 3.61Å; K245-E266 PolarHBondContact NZ-OE1 3.4Å; T263-E266 PolarHBondContact N-OE2 3.4Å; T263-E266 WeakPolarHBondContact O-CB 3.45Å; T263-E266 PolarHBondContact O-N 3.07Å; T263-E266 VanDerWaalsContact O-N 3.11Å; T263-E266 WeakPolarHBondContact OG1-CB 3.45Å; T263-E266 VanDerWaalsContact OG1-CG 3.25Å; T263-E266 WeakPolarHBondContact OG1-CG 3.48Å; T263-E266 PolarHBondContact OG1-N 3.04Å; T263-E266 PolarHBondContact OG1-OE2 3.24Å; L264-E266 VanDerWaalsContact C-N 3.34Å; L264-E266 PolarHBondContact O-N 3.12Å; E266-F268 PolarHBondContact O-N 2.94Å; E266-T269 WeakPolarHBondContact O-CA 3.45Å; E266-T269 WeakPolarHBondContact O-CB 3.46Å; E266-T269 PolarHBondContact O-N 3.45Å; E266-T269 PolarHBondContact O-OG1 3.2Å; E266-Y270 HydrophobicContact CB-CE1 3.65Å; E266-Y270 HydrophobicContact CG-CE1 4.41Å; E266-Y270 VanDerWaalsContact O-CD1 3.31Å; E266-Y270 WeakPolarHBondContact O-CD1 3.3Å; E266-Y270 VanDerWaalsContact O-CE1 3.3Å; E266-Y270 WeakPolarHBondContact O-CE1 3.28Å; E266-Y270 PolarHBondContact O-N 2.84Å
267	E	98.9	Very high	98.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.5	-36.4	179.9	-64.9	-56	131.7	0	0	112.3	L185 V187 A188 S262 T263 L264 T269 Y270 N271 M274	L185-E267 HydrophobicContact CD2-CG 4.44Å; V187-E267 WeakPolarHBondContact CA-OE1 3.47Å; A188-E267 PolarHBondContact N-OE2 2.86Å; S262-E267 VanDerWaalsContact CB-OE1 3.26Å; S262-E267 WeakPolarHBondContact CB-OE1 3.4Å; S262-E267 PolarHBondContact OG-OE1 2.64Å; T263-E267 WeakPolarHBondContact O-CG 3.47Å; T263-E267 PolarHBondContact O-N 3.28Å; L264-E267 PolarHBondContact O-N 2.84Å; E267-T269 PolarHBondContact O-N 3.46Å; E267-Y270 VanDerWaalsContact CD-CE2 3.47Å; E267-Y270 PolarHBondContact O-N 3.24Å; E267-Y270 VanDerWaalsContact OE1-CE2 3.25Å; E267-Y270 WeakPolarHBondContact OE1-CE2 3.25Å; E267-Y270 VanDerWaalsContact OE1-CZ 3.29Å; E267-Y270 PolarHBondContact OE1-OH 3.35Å; E267-Y270 WeakPolarHBondContact OE2-CE2 3.39Å; E267-N271 HydrophobicContact CB-CB 4.32Å; E267-N271 WeakPolarHBondContact O-CB 3.38Å; E267-N271 PolarHBondContact O-N 3.16Å; E267-N271 WeakPolarHBondContact OE2-CB 3.39Å; E267-N271 PolarHBondContact OE2-ND2 3.18Å; E267-M274 HydrophobicContact CB-CE 4.5Å; E267-M274 HydrophobicContact CB-CG 4.12Å
268	F	98.9	Very high	98.8	Very high	58 Å²	58	26.6 Å²	26.6	25%	0.254	13%	0.133	S	C	.	.	H	α-helix	trans	-66.5	-14.9	174	-77.6	-64.8	0	0	0	114.1	L206 L264 A265 E266 M274 R275	L206-F268 HydrophobicContact CD2-CE1 4.32Å; L264-F268 WeakPolarHBondContact O-CD2 3.39Å; L264-F268 PolarHBondContact O-N 3.4Å; L264-F268 VanDerWaalsContact O-N 3.16Å; A265-F268 PolarHBondContact O-N 2.76Å; E266-F268 PolarHBondContact O-N 2.94Å; F268-M274 HydrophobicContact CD1-CB 4.05Å; F268-M274 HydrophobicContact CD1-CE 4.38Å; F268-M274 HydrophobicContact CD2-CE 4.4Å; F268-M274 HydrophobicContact CE1-CB 4.24Å; F268-M274 HydrophobicContact CE1-CE 3.85Å; F268-M274 HydrophobicContact CE2-CE 3.89Å; F268-M274 HydrophobicContact CZ-CE 3.59Å; F268-R275 WeakPolarHBondContact O-CD 3.4Å; F268-R275 VanDerWaalsContact O-CG 3.24Å; F268-R275 WeakPolarHBondContact O-CG 3.34Å; F268-R275 PolarHBondContact O-NH1 3.37Å
269	T	98.9	Very high	98.9	Very high	57 Å²	57	34 Å²	34	35%	0.35	17%	0.165	S	C	.	.	H	α-helix	trans	-87.9	-32.7	178	72.7	0	0	0	0	113.8	N239 A265 E266 E267	N239-T269 PolarHBondContact ND2-O 3.38Å; A265-T269 WeakPolarHBondContact O-CG2 3.09Å; E266-T269 WeakPolarHBondContact O-CA 3.45Å; E266-T269 WeakPolarHBondContact O-CB 3.46Å; E266-T269 PolarHBondContact O-N 3.45Å; E266-T269 PolarHBondContact O-OG1 3.2Å; E267-T269 PolarHBondContact O-N 3.46Å
270	Y	98.9	Very high	98.9	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-131.8	-12.5	-170.2	56.2	-119.6	0	0	0	115.7	V187 A188 L229 A232 K245 S262 E266 E267 P272	V187-Y270 HydrophobicContact CG1-CE2 4.21Å; A188-Y270 HydrophobicContact CB-CD2 3.57Å; A188-Y270 HydrophobicContact CB-CE2 3.77Å; L229-Y270 HydrophobicContact CD2-CD2 4.21Å; L229-Y270 HydrophobicContact CD2-CG 4.32Å; A232-Y270 WeakPolarHBondContact CB-O 3.37Å; K245-Y270 HydrophobicContact CB-CD1 4.06Å; K245-Y270 HydrophobicContact CB-CE1 4.26Å; K245-Y270 HydrophobicContact CD-CD1 4.41Å; K245-Y270 HydrophobicContact CD-CE1 3.77Å; K245-Y270 HydrophobicContact CG-CD1 3.96Å; K245-Y270 HydrophobicContact CG-CE1 3.68Å; S262-Y270 VanDerWaalsContact CB-OH 3.29Å; S262-Y270 WeakPolarHBondContact CB-OH 3.22Å; E266-Y270 HydrophobicContact CB-CE1 3.65Å; E266-Y270 HydrophobicContact CG-CE1 4.41Å; E266-Y270 VanDerWaalsContact O-CD1 3.31Å; E266-Y270 WeakPolarHBondContact O-CD1 3.3Å; E266-Y270 VanDerWaalsContact O-CE1 3.3Å; E266-Y270 WeakPolarHBondContact O-CE1 3.28Å; E266-Y270 PolarHBondContact O-N 2.84Å; E267-Y270 VanDerWaalsContact CD-CE2 3.47Å; E267-Y270 PolarHBondContact O-N 3.24Å; E267-Y270 VanDerWaalsContact OE1-CE2 3.25Å; E267-Y270 WeakPolarHBondContact OE1-CE2 3.25Å; E267-Y270 VanDerWaalsContact OE1-CZ 3.29Å; E267-Y270 PolarHBondContact OE1-OH 3.35Å; E267-Y270 WeakPolarHBondContact OE2-CE2 3.39Å; Y270-P272 WeakPolarHBondContact O-CD 3.16Å
271	N	98.9	Very high	98.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.			trans	-88.1	112.7	-175.2	-172.2	-31.9	0	0	0	110.2	L185 F186 A188 G189 E267 F273 M274 R275	L185-N271 WeakPolarHBondContact CD1-ND2 3.32Å; F186-N271 PolarHBondContact O-ND2 2.72Å; A188-N271 VanDerWaalsContact C-CG 3.41Å; A188-N271 VanDerWaalsContact C-ND2 3.35Å; G189-N271 PolarHBondContact N-ND2 3.26Å; G189-N271 PolarHBondContact O-ND2 3.48Å; G189-N271 VanDerWaalsContact O-ND2 3.08Å; E267-N271 HydrophobicContact CB-CB 4.32Å; E267-N271 WeakPolarHBondContact O-CB 3.38Å; E267-N271 PolarHBondContact O-N 3.16Å; E267-N271 WeakPolarHBondContact OE2-CB 3.39Å; E267-N271 PolarHBondContact OE2-ND2 3.18Å; N271-F273 PolarHBondContact O-N 3.2Å; N271-F273 VanDerWaalsContact O-N 3.11Å; N271-F273 WeakPolarHBondContact OD1-CB 3.27Å; N271-F273 WeakPolarHBondContact OD1-CD2 3.35Å; N271-F273 PolarHBondContact OD1-N 2.84Å; N271-M274 HydrophobicContact CB-CB 4.01Å; N271-M274 HydrophobicContact CB-CG 3.86Å; N271-M274 PolarHBondContact O-N 2.65Å; N271-R275 WeakPolarHBondContact O-CB 3.37Å; N271-R275 WeakPolarHBondContact O-CD 3.43Å; N271-R275 WeakPolarHBondContact O-CG 3.38Å; N271-R275 PolarHBondContact O-N 3.21Å; N271-R275 VanDerWaalsContact O-N 3.08Å
272	P	98.9	Very high	98.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.6	-174.8	26.2	-34.7	0	0	0	112.4	F231 A232 V235 Y270 R275 V276 V297	F231-P272 HydrophobicContact CD1-CG 4.2Å; F231-P272 HydrophobicContact CE1-CG 4.22Å; A232-P272 HydrophobicContact CB-CG 4.19Å; V235-P272 HydrophobicContact CB-CB 4.36Å; V235-P272 HydrophobicContact CG1-CB 4.11Å; V235-P272 HydrophobicContact CG2-CB 4.39Å; Y270-P272 WeakPolarHBondContact O-CD 3.16Å; P272-R275 CarbonylContact O-C 3.48Å; P272-R275 PolarHBondContact O-N 3.47Å; P272-V276 WeakPolarHBondContact O-CG1 3.4Å; P272-V276 PolarHBondContact O-N 2.99Å; P272-V297 HydrophobicContact CB-CG1 4.2Å
273	F	98.9	Very high	98.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-30.4	178.2	-55.9	-73.1	0	0	0	113.1	C190 L205 F231 N271 R275 M294 V297 R298 K301	C190-F273 HydrophobicContact CB-CB 4.16Å; C190-F273 HydrophobicContact CB-CD2 3.99Å; C190-F273 HydrophobicContact CB-CG 3.99Å; C190-F273 WeakPolarHBondContact SG-CD1 3.23Å; C190-F273 VanDerWaalsContact SG-CD2 3.56Å; C190-F273 WeakPolarHBondContact SG-CG 3.26Å; L205-F273 HydrophobicContact CD1-CB 3.74Å; F231-F273 HydrophobicContact CE1-CZ 4.27Å; N271-F273 PolarHBondContact O-N 3.2Å; N271-F273 VanDerWaalsContact O-N 3.11Å; N271-F273 WeakPolarHBondContact OD1-CB 3.27Å; N271-F273 WeakPolarHBondContact OD1-CD2 3.35Å; N271-F273 PolarHBondContact OD1-N 2.84Å; F273-R275 VanDerWaalsContact C-N 3.26Å; F273-M294 HydrophobicContact CB-CE 4.21Å; F273-M294 HydrophobicContact CB-SD 4.21Å; F273-M294 HydrophobicContact CD1-SD 3.65Å; F273-M294 HydrophobicContact CG-SD 4.4Å; F273-M294 VanDerWaalsContact O-CE 3.26Å; F273-M294 WeakPolarHBondContact O-CE 3.23Å; F273-V297 HydrophobicContact CD1-CG1 4.19Å; F273-V297 HydrophobicContact CE1-CB 4.39Å; F273-V297 HydrophobicContact CE1-CG1 3.73Å; F273-V297 HydrophobicContact CZ-CG1 4.17Å; F273-R298 HydrophobicContact CE1-CB 4.1Å; F273-K301 HydrophobicContact CE2-CD 3.58Å; F273-K301 HydrophobicContact CZ-CB 4.16Å; F273-K301 HydrophobicContact CZ-CD 3.49Å; F273-K301 VanDerWaalsContact CZ-CD 3.49Å; F273-K301 HydrophobicContact CZ-CG 4.45Å
274	M	98.9	Very high	98.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.9	171.2	-62.1	-69.8	-77	0	0	112	L185 L205 L206 L264 E267 F268 N271	L185-M274 HydrophobicContact CD1-CG 4.06Å; L185-M274 HydrophobicContact CD1-SD 4.01Å; L205-M274 HydrophobicContact CB-SD 3.67Å; L205-M274 HydrophobicContact CD1-SD 4.19Å; L205-M274 HydrophobicContact CD2-SD 4.05Å; L205-M274 HydrophobicContact CG-SD 4.17Å; L206-M274 WeakPolarHBondContact CD2-O 3.48Å; L264-M274 HydrophobicContact CD2-CE 4.31Å; E267-M274 HydrophobicContact CB-CE 4.5Å; E267-M274 HydrophobicContact CB-CG 4.12Å; F268-M274 HydrophobicContact CD1-CB 4.05Å; F268-M274 HydrophobicContact CD1-CE 4.38Å; F268-M274 HydrophobicContact CD2-CE 4.4Å; F268-M274 HydrophobicContact CE1-CB 4.24Å; F268-M274 HydrophobicContact CE1-CE 3.85Å; F268-M274 HydrophobicContact CE2-CE 3.89Å; F268-M274 HydrophobicContact CZ-CE 3.59Å; N271-M274 HydrophobicContact CB-CB 4.01Å; N271-M274 HydrophobicContact CB-CG 3.86Å; N271-M274 PolarHBondContact O-N 2.65Å
275	R	98.9	Very high	98.9	Very high	35 Å²	35	46.7 Å²	46.7	13%	0.132	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	14.6	-173.7	-66.5	170.6	60.6	67.4	5.9	113.9	E236 F268 N271 P272 F273 R277 E278 V281	E236-R275 IonicContact OE1-CZ 3.28Å; E236-R275 IonicContact OE1-NE 2.67Å; E236-R275 IonicContact OE1-NH2 3.78Å; E236-R275 PolarHBondContact OE1-NH2 3.38Å; E236-R275 IonicContact OE2-CZ 2.78Å; E236-R275 IonicContact OE2-NE 3.78Å; E236-R275 PolarHBondContact OE2-NE 2.72Å; E236-R275 IonicContact OE2-NH2 3.55Å; E236-R275 PolarHBondContact OE2-NH2 2.96Å; F268-R275 WeakPolarHBondContact O-CD 3.4Å; F268-R275 VanDerWaalsContact O-CG 3.24Å; F268-R275 WeakPolarHBondContact O-CG 3.34Å; F268-R275 PolarHBondContact O-NH1 3.37Å; N271-R275 WeakPolarHBondContact O-CB 3.37Å; N271-R275 WeakPolarHBondContact O-CD 3.43Å; N271-R275 WeakPolarHBondContact O-CG 3.38Å; N271-R275 PolarHBondContact O-N 3.21Å; N271-R275 VanDerWaalsContact O-N 3.08Å; P272-R275 CarbonylContact O-C 3.48Å; P272-R275 PolarHBondContact O-N 3.47Å; F273-R275 VanDerWaalsContact C-N 3.26Å; R275-R277 PolarHBondContact O-N 2.74Å; R275-E278 HydrophobicContact CB-CB 4.41Å; R275-E278 HydrophobicContact CB-CG 3.97Å; R275-E278 HydrophobicContact CG-CG 4.35Å; R275-E278 VanDerWaalsContact O-CB 3.24Å; R275-E278 WeakPolarHBondContact O-CB 3.43Å; R275-E278 PolarHBondContact O-N 3.11Å; R275-V281 HydrophobicContact CB-CG2 3.86Å; R275-V281 WeakPolarHBondContact O-CG2 3.34Å
276	V	98.9	Very high	98.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-8	178.7	-62.6	0	0	0	0	114.8	L206 P272 Q282 P290 T293 M294	L206-V276 HydrophobicContact CD1-CG2 3.81Å; P272-V276 WeakPolarHBondContact O-CG1 3.4Å; P272-V276 PolarHBondContact O-N 2.99Å; V276-Q282 WeakPolarHBondContact O-CG 3.18Å; V276-Q282 PolarHBondContact O-NE2 3.08Å; V276-Q282 VanDerWaalsContact O-NE2 3.12Å; V276-P290 HydrophobicContact CB-CB 4.26Å; V276-P290 HydrophobicContact CG2-CB 3.69Å; V276-P290 WeakPolarHBondContact O-CA 3.49Å; V276-T293 HydrophobicContact CB-CG2 3.94Å; V276-T293 HydrophobicContact CG1-CG2 4.04Å; V276-M294 HydrophobicContact CG1-CB 4.14Å; V276-M294 HydrophobicContact CG1-CE 3.99Å; V276-M294 HydrophobicContact CG1-SD 4.42Å; V276-M294 HydrophobicContact CG2-CE 4.12Å
277	R	98.8	Very high	98.9	Very high	139 Å²	139	48.3 Å²	48.3	53%	0.525	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.6	170.3	-65.3	-178.2	-66.5	-179.2	-0.5	113.3	L206 R275 P290	L206-R277 HydrophobicContact CD1-CG 4.15Å; R275-R277 PolarHBondContact O-N 2.74Å; R277-P290 HydrophobicContact CG-CB 4.07Å; R277-P290 HydrophobicContact CG-CG 4.46Å
278	E	98.9	Very high	98.8	Very high	93 Å²	93	54.2 Å²	54.2	44%	0.435	28%	0.281	S	S	.	.	S	Bend	trans	-77.4	135.6	179.4	-64.5	-59.8	139.9	0	0	110.5	R275 T280 V281 Q282	R275-E278 HydrophobicContact CB-CB 4.41Å; R275-E278 HydrophobicContact CB-CG 3.97Å; R275-E278 HydrophobicContact CG-CG 4.35Å; R275-E278 VanDerWaalsContact O-CB 3.24Å; R275-E278 WeakPolarHBondContact O-CB 3.43Å; R275-E278 PolarHBondContact O-N 3.11Å; E278-T280 PolarHBondContact O-N 3.05Å; E278-V281 HydrophobicContact CB-CG2 4.36Å; E278-V281 PolarHBondContact O-N 3.27Å; E278-Q282 WeakPolarHBondContact O-CG 3.41Å; E278-Q282 PolarHBondContact O-N 3.38Å
279	K	98.8	Very high	98.8	Very high	159 Å²	159	54.3 Å²	54.3	69%	0.691	28%	0.284	S	S	*	.	H	α-helix	trans	-59	-33.6	-178.2	-67.9	-171.8	178	-179.2	0	112.6	Q282 Q283	K279-Q282 PolarHBondContact O-N 2.84Å; K279-Q283 VanDerWaalsContact O-CB 3.28Å; K279-Q283 WeakPolarHBondContact O-CB 3.4Å; K279-Q283 WeakPolarHBondContact O-CG 3.4Å; K279-Q283 PolarHBondContact O-N 3.44Å
280	T	98.9	Very high	98.8	Very high	67 Å²	67	53.6 Å²	53.6	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-46.2	178.7	44.3	0	0	0	0	111.9	E236 E278 Q283 H284	E236-T280 WeakPolarHBondContact OE1-CB 3.32Å; E236-T280 PolarHBondContact OE1-OG1 2.92Å; E278-T280 PolarHBondContact O-N 3.05Å; T280-Q283 PolarHBondContact O-N 3.01Å; T280-H284 PolarHBondContact O-N 3.02Å
281	V	98.9	Very high	98.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.7	-39.9	178.1	-176.5	0	0	0	0	111	V235 E236 R275 E278 H284 A285 T293 V297	V235-V281 HydrophobicContact CG1-CG1 4.1Å; V235-V281 HydrophobicContact CG1-CG2 4.4Å; E236-V281 HydrophobicContact CG-CG2 3.96Å; R275-V281 HydrophobicContact CB-CG2 3.86Å; R275-V281 WeakPolarHBondContact O-CG2 3.34Å; E278-V281 HydrophobicContact CB-CG2 4.36Å; E278-V281 PolarHBondContact O-N 3.27Å; V281-H284 PolarHBondContact O-N 2.94Å; V281-A285 WeakPolarHBondContact O-CB 3.41Å; V281-A285 PolarHBondContact O-N 3.29Å; V281-T293 HydrophobicContact CG1-CG2 3.77Å; V281-V297 HydrophobicContact CG1-CG2 4.04Å
282	Q	98.9	Very high	98.8	Very high	31 Å²	31	56.2 Å²	56.2	15%	0.145	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-45.2	175	-71	-173.6	-8	0	0	112	V276 E278 K279 A285 G286 E287 T293	V276-Q282 WeakPolarHBondContact O-CG 3.18Å; V276-Q282 PolarHBondContact O-NE2 3.08Å; V276-Q282 VanDerWaalsContact O-NE2 3.12Å; E278-Q282 WeakPolarHBondContact O-CG 3.41Å; E278-Q282 PolarHBondContact O-N 3.38Å; K279-Q282 PolarHBondContact O-N 2.84Å; Q282-A285 CarbonylContact O-C 3.52Å; Q282-A285 PolarHBondContact O-N 3.48Å; Q282-G286 PolarHBondContact O-N 2.86Å; Q282-E287 CarbonylContact C-O 3.52Å; Q282-E287 WeakPolarHBondContact CB-O 3.24Å; Q282-E287 PolarHBondContact O-N 2.78Å; Q282-T293 HydrophobicContact CG-CG2 4.22Å; Q282-T293 WeakPolarHBondContact CG-OG1 3.27Å
283	Q	98.8	Very high	98.8	Very high	146 Å²	146	56.2 Å²	56.2	68%	0.682	30%	0.297	S	S	*	.	H	α-helix	trans	-63.2	-41.2	176.3	-76.7	170.2	-6.7	0	0	112.4	K279 T280 A285 G286	K279-Q283 VanDerWaalsContact O-CB 3.28Å; K279-Q283 WeakPolarHBondContact O-CB 3.4Å; K279-Q283 WeakPolarHBondContact O-CG 3.4Å; K279-Q283 PolarHBondContact O-N 3.44Å; T280-Q283 PolarHBondContact O-N 3.01Å; Q283-A285 VanDerWaalsContact C-N 3.32Å; Q283-A285 PolarHBondContact O-N 2.88Å; Q283-G286 PolarHBondContact O-N 2.91Å
284	H	98.8	Very high	98.8	Very high	62 Å²	62	56.2 Å²	56.2	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-45.1	173.2	174.6	83.7	0	0	0	111.5	H234 V235 T280 V281 G286 E300	H234-H284 AromaticContact CD2-CE1 3.88Å; H234-H284 AromaticContact NE2-CE1 3.64Å; V235-H284 HydrophobicContact CG1-CB 4.2Å; T280-H284 PolarHBondContact O-N 3.02Å; V281-H284 PolarHBondContact O-N 2.94Å; H284-G286 VanDerWaalsContact C-N 3.27Å; H284-G286 PolarHBondContact O-N 3.06Å; H284-E300 IonicContact CD2-OE2 2.72Å; H284-E300 IonicContact CE1-OE1 3.92Å; H284-E300 IonicContact CE1-OE2 3.53Å; H284-E300 IonicContact NE2-OE1 2.93Å; H284-E300 PolarHBondContact NE2-OE1 2.92Å; H284-E300 IonicContact NE2-OE2 3.57Å; H284-E300 PolarHBondContact NE2-OE2 3.19Å
285	A	98.7	Very high	98.8	Very high	25 Å²	25	62.7 Å²	62.7	21%	0.207	32%	0.321	C	S	.	.	H	α-helix	trans	-72.3	-17.8	178	0	0	0	0	0	113.9	V281 Q282 Q283 E287 T293 A296 V297	V281-A285 WeakPolarHBondContact O-CB 3.41Å; V281-A285 PolarHBondContact O-N 3.29Å; Q282-A285 CarbonylContact O-C 3.52Å; Q282-A285 PolarHBondContact O-N 3.48Å; Q283-A285 VanDerWaalsContact C-N 3.32Å; Q283-A285 PolarHBondContact O-N 2.88Å; A285-E287 VanDerWaalsContact C-N 3.32Å; A285-E287 HydrophobicContact CB-CB 4.24Å; A285-E287 HydrophobicContact CB-CG 4.12Å; A285-T293 HydrophobicContact CB-CG2 3.98Å; A285-A296 HydrophobicContact CB-CB 4Å; A285-V297 HydrophobicContact CB-CG2 4.21Å
286	G	98.7	Very high	98.8	Very high	64 Å²	64	62.4 Å²	62.4	66%	0.66	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	26.4	-171.3	0	0	0	0	0	113.5	Q282 Q283 H284	Q282-G286 PolarHBondContact O-N 2.86Å; Q283-G286 PolarHBondContact O-N 2.91Å; H284-G286 VanDerWaalsContact C-N 3.27Å; H284-G286 PolarHBondContact O-N 3.06Å
287	E	98.7	Very high	98.8	Very high	74 Å²	74	62.4 Å²	62.4	35%	0.346	33%	0.327	S	S	.	.			trans	-122.7	171.3	-173.4	-65.3	-67.6	-175.2	0	0	111.2	Q282 A285 T292 T293	Q282-E287 CarbonylContact C-O 3.52Å; Q282-E287 WeakPolarHBondContact CB-O 3.24Å; Q282-E287 PolarHBondContact O-N 2.78Å; A285-E287 VanDerWaalsContact C-N 3.32Å; A285-E287 HydrophobicContact CB-CB 4.24Å; A285-E287 HydrophobicContact CB-CG 4.12Å; E287-T292 WeakPolarHBondContact OE2-CB 3.44Å; E287-T292 PolarHBondContact OE2-OG1 2.9Å; E287-T293 WeakPolarHBondContact CB-OG1 3.45Å
288	T	98.3	Very high	98.8	Very high	125 Å²	125	56.3 Å²	56.3	77%	0.767	30%	0.304	S	S	*	.	S	Bend	trans	-133.2	3.2	-179.4	58.4	0	0	0	0	114.6
289	D	98.5	Very high	98.8	Very high	59 Å²	59	58 Å²	58	32%	0.316	31%	0.31	S	S	.	.	S	Bend	trans	-129.9	151.7	174.6	79.6	81.8	0	0	0	110.7	V291 T292 T293	D289-V291 VanDerWaalsContact C-N 3.29Å; D289-V291 PolarHBondContact O-N 3.47Å; D289-V291 WeakPolarHBondContact OD1-CA 3.49Å; D289-V291 WeakPolarHBondContact OD1-CB 3.24Å; D289-V291 PolarHBondContact OD1-N 3.43Å; D289-T292 PolarHBondContact O-OG1 3.24Å; D289-T292 VanDerWaalsContact O-OG1 3.06Å; D289-T292 PolarHBondContact OD1-N 3.42Å; D289-T292 PolarHBondContact OD1-OG1 3.33Å; D289-T292 WeakPolarHBondContact OD2-CB 3.46Å; D289-T292 WeakPolarHBondContact OD2-CG2 3.5Å; D289-T292 PolarHBondContact OD2-OG1 3.45Å; D289-T293 VanDerWaalsContact O-CB 3.27Å; D289-T293 WeakPolarHBondContact O-CB 3.5Å; D289-T293 PolarHBondContact O-N 3.47Å; D289-T293 PolarHBondContact O-OG1 2.99Å
290	P	98.8	Very high	98.8	Very high	42 Å²	42	53.2 Å²	53.2	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-28.6	-173.6	24.4	-34.2	0	0	0	113.7	C202 V276 R277 M294	C202-P290 PolarHBondContact SG-O 2.81Å; C202-P290 VanDerWaalsContact SG-O 3.42Å; V276-P290 HydrophobicContact CB-CB 4.26Å; V276-P290 HydrophobicContact CG2-CB 3.69Å; V276-P290 WeakPolarHBondContact O-CA 3.49Å; R277-P290 HydrophobicContact CG-CB 4.07Å; R277-P290 HydrophobicContact CG-CG 4.46Å; P290-M294 WeakPolarHBondContact O-CB 3.37Å; P290-M294 PolarHBondContact O-N 3.3Å
291	V	98.9	Very high	98.8	Very high	33 Å²	33	51.3 Å²	51.3	20%	0.2	28%	0.276	C	S	.	.	H	α-helix	trans	-77.2	-43.7	-175.9	175.9	0	0	0	0	110.9	A198 D199 C202 D289 M294 R295	A198-V291 HydrophobicContact CB-CG1 4.35Å; D199-V291 HydrophobicContact CB-CG1 3.95Å; D199-V291 HydrophobicContact CB-CG2 4.46Å; C202-V291 HydrophobicContact CB-CG2 4.3Å; D289-V291 VanDerWaalsContact C-N 3.29Å; D289-V291 PolarHBondContact O-N 3.47Å; D289-V291 WeakPolarHBondContact OD1-CA 3.49Å; D289-V291 WeakPolarHBondContact OD1-CB 3.24Å; D289-V291 PolarHBondContact OD1-N 3.43Å; V291-M294 PolarHBondContact O-N 2.9Å; V291-R295 PolarHBondContact O-N 2.61Å
292	T	98.9	Very high	98.7	Very high	26 Å²	26	54.6 Å²	54.6	16%	0.16	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-42	172.5	53.9	0	0	0	0	111.4	E287 D289 M294 R295 A296	E287-T292 WeakPolarHBondContact OE2-CB 3.44Å; E287-T292 PolarHBondContact OE2-OG1 2.9Å; D289-T292 PolarHBondContact O-OG1 3.24Å; D289-T292 VanDerWaalsContact O-OG1 3.06Å; D289-T292 PolarHBondContact OD1-N 3.42Å; D289-T292 PolarHBondContact OD1-OG1 3.33Å; D289-T292 WeakPolarHBondContact OD2-CB 3.46Å; D289-T292 WeakPolarHBondContact OD2-CG2 3.5Å; D289-T292 PolarHBondContact OD2-OG1 3.45Å; T292-M294 PolarHBondContact O-N 3.24Å; T292-R295 WeakPolarHBondContact O-CB 3.11Å; T292-R295 PolarHBondContact O-N 2.78Å; T292-A296 PolarHBondContact O-N 2.93Å
293	T	98.9	Very high	98.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-48.5	173.8	-57.1	0	0	0	0	111.5	V276 V281 Q282 A285 E287 D289 R295 A296 V297	V276-T293 HydrophobicContact CB-CG2 3.94Å; V276-T293 HydrophobicContact CG1-CG2 4.04Å; V281-T293 HydrophobicContact CG1-CG2 3.77Å; Q282-T293 HydrophobicContact CG-CG2 4.22Å; Q282-T293 WeakPolarHBondContact CG-OG1 3.27Å; A285-T293 HydrophobicContact CB-CG2 3.98Å; E287-T293 WeakPolarHBondContact CB-OG1 3.45Å; D289-T293 VanDerWaalsContact O-CB 3.27Å; D289-T293 WeakPolarHBondContact O-CB 3.5Å; D289-T293 PolarHBondContact O-N 3.47Å; D289-T293 PolarHBondContact O-OG1 2.99Å; T293-R295 VanDerWaalsContact C-N 3.32Å; T293-R295 PolarHBondContact O-N 3.03Å; T293-A296 PolarHBondContact O-N 2.87Å; T293-V297 HydrophobicContact CG2-CG2 4.17Å; T293-V297 WeakPolarHBondContact O-CB 3.33Å; T293-V297 VanDerWaalsContact O-CG2 3.27Å; T293-V297 WeakPolarHBondContact O-CG2 3.5Å; T293-V297 PolarHBondContact O-N 3.19Å
294	M	98.9	Very high	98.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.5	-45	175.8	177.4	67.6	73	0	0	111.9	F193 A198 M201 C202 L205 F273 V276 P290 V291 T292 R298	F193-M294 HydrophobicContact CE2-CG 4.11Å; F193-M294 HydrophobicContact CZ-CG 3.92Å; F193-M294 HydrophobicContact CZ-SD 3.82Å; A198-M294 HydrophobicContact CB-CB 4.17Å; A198-M294 HydrophobicContact CB-CG 3.9Å; M201-M294 HydrophobicContact CB-CE 4.47Å; M201-M294 HydrophobicContact CB-CG 4.34Å; M201-M294 HydrophobicContact CB-SD 4.26Å; M201-M294 HydrophobicContact CG-CE 4.02Å; M201-M294 HydrophobicContact CG-SD 3.87Å; C202-M294 WeakPolarHBondContact SG-CB 3.47Å; L205-M294 HydrophobicContact CD1-CE 3.99Å; F273-M294 HydrophobicContact CB-CE 4.21Å; F273-M294 HydrophobicContact CB-SD 4.21Å; F273-M294 HydrophobicContact CD1-SD 3.65Å; F273-M294 HydrophobicContact CG-SD 4.4Å; F273-M294 VanDerWaalsContact O-CE 3.26Å; F273-M294 WeakPolarHBondContact O-CE 3.23Å; V276-M294 HydrophobicContact CG1-CB 4.14Å; V276-M294 HydrophobicContact CG1-CE 3.99Å; V276-M294 HydrophobicContact CG1-SD 4.42Å; V276-M294 HydrophobicContact CG2-CE 4.12Å; P290-M294 WeakPolarHBondContact O-CB 3.37Å; P290-M294 PolarHBondContact O-N 3.3Å; V291-M294 PolarHBondContact O-N 2.9Å; T292-M294 PolarHBondContact O-N 3.24Å; M294-R298 WeakPolarHBondContact O-CB 3.35Å; M294-R298 PolarHBondContact O-N 3.49Å
295	R	98.9	Very high	98.5	Very high	136 Å²	136	61.3 Å²	61.3	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-48.8	178.4	-171.9	-175.1	-59.8	107.2	3.5	111.6	A198 V291 T292 T293 K299	A198-R295 HydrophobicContact CB-CB 3.7Å; A198-R295 HydrophobicContact CB-CG 4.41Å; V291-R295 PolarHBondContact O-N 2.61Å; T292-R295 WeakPolarHBondContact O-CB 3.11Å; T292-R295 PolarHBondContact O-N 2.78Å; T293-R295 VanDerWaalsContact C-N 3.32Å; T293-R295 PolarHBondContact O-N 3.03Å; R295-K299 WeakPolarHBondContact O-CB 3.49Å; R295-K299 PolarHBondContact O-N 3.02Å; R295-K299 VanDerWaalsContact O-N 3.12Å
296	A	98.9	Very high	98.3	Very high	30 Å²	30	63.3 Å²	63.3	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-51.7	-178.5	0	0	0	0	0	111.4	A285 T292 T293 R298 K299 E300	A285-A296 HydrophobicContact CB-CB 4Å; T292-A296 PolarHBondContact O-N 2.93Å; T293-A296 PolarHBondContact O-N 2.87Å; A296-R298 VanDerWaalsContact C-N 3.33Å; A296-R298 PolarHBondContact O-N 3.38Å; A296-K299 PolarHBondContact O-N 3.41Å; A296-E300 WeakPolarHBondContact O-CB 3.16Å; A296-E300 PolarHBondContact O-N 3.48Å
297	V	98.9	Very high	97.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-38.4	-179.2	175.1	0	0	0	0	111.6	F231 V235 P272 F273 V281 A285 T293 E300 K301	F231-V297 HydrophobicContact CE1-CG1 3.69Å; F231-V297 HydrophobicContact CZ-CG1 3.94Å; F231-V297 WeakPolarHBondContact CZ-O 3.5Å; V235-V297 HydrophobicContact CG2-CG1 4.5Å; P272-V297 HydrophobicContact CB-CG1 4.2Å; F273-V297 HydrophobicContact CD1-CG1 4.19Å; F273-V297 HydrophobicContact CE1-CB 4.39Å; F273-V297 HydrophobicContact CE1-CG1 3.73Å; F273-V297 HydrophobicContact CZ-CG1 4.17Å; V281-V297 HydrophobicContact CG1-CG2 4.04Å; A285-V297 HydrophobicContact CB-CG2 4.21Å; T293-V297 HydrophobicContact CG2-CG2 4.17Å; T293-V297 WeakPolarHBondContact O-CB 3.33Å; T293-V297 VanDerWaalsContact O-CG2 3.27Å; T293-V297 WeakPolarHBondContact O-CG2 3.5Å; T293-V297 PolarHBondContact O-N 3.19Å; V297-E300 PolarHBondContact O-N 2.82Å; V297-K301 PolarHBondContact O-N 2.69Å
298	R	98.8	Very high	97.1	Very high	11 Å²	11	69.7 Å²	69.7	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-47.8	176.3	-177.8	67.1	-93.8	-178.4	-14.3	111.9	C190 G191 F193 F273 M294 A296 E300 K301 D302	C190-R298 PolarHBondContact O-NH1 3.04Å; C190-R298 PolarHBondContact SG-NH1 3.46Å; G191-R298 PolarHBondContact O-NH1 3.07Å; F193-R298 HydrophobicContact CD1-CG 4.06Å; F193-R298 HydrophobicContact CD2-CB 4.44Å; F193-R298 HydrophobicContact CD2-CG 3.86Å; F193-R298 HydrophobicContact CE1-CB 4.41Å; F193-R298 VanDerWaalsContact CE1-CD 3.48Å; F193-R298 HydrophobicContact CE1-CG 3.74Å; F193-R298 HydrophobicContact CE2-CB 3.72Å; F193-R298 HydrophobicContact CE2-CG 3.55Å; F193-R298 HydrophobicContact CG-CG 4.1Å; F193-R298 HydrophobicContact CZ-CB 3.7Å; F193-R298 HydrophobicContact CZ-CG 3.48Å; F193-R298 VanDerWaalsContact CZ-CG 3.48Å; F273-R298 HydrophobicContact CE1-CB 4.1Å; M294-R298 WeakPolarHBondContact O-CB 3.35Å; M294-R298 PolarHBondContact O-N 3.49Å; A296-R298 VanDerWaalsContact C-N 3.33Å; A296-R298 PolarHBondContact O-N 3.38Å; R298-E300 VanDerWaalsContact C-N 3.32Å; R298-E300 PolarHBondContact O-N 2.96Å; R298-K301 PolarHBondContact O-N 3.23Å; R298-D302 IonicContact CZ-OD1 3.83Å; R298-D302 IonicContact NE-OD1 2.74Å; R298-D302 PolarHBondContact NE-OD1 3.05Å; R298-D302 IonicContact NE-OD2 3.53Å; R298-D302 IonicContact NH2-OD1 3.53Å; R298-D302 PolarHBondContact NH2-OD1 3.39Å; R298-D302 VanDerWaalsContact O-CG 3.25Å; R298-D302 PolarHBondContact O-N 3.12Å; R298-D302 VanDerWaalsContact O-N 3.09Å
299	K	98.8	Very high	96.2	Very high	129 Å²	129	69.4 Å²	69.4	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-60.8	-44.5	178.1	-175.4	-176.7	176.6	-171.5	0	110.8	R295 A296 K301 D302 E303	R295-K299 WeakPolarHBondContact O-CB 3.49Å; R295-K299 PolarHBondContact O-N 3.02Å; R295-K299 VanDerWaalsContact O-N 3.12Å; A296-K299 PolarHBondContact O-N 3.41Å; K299-K301 PolarHBondContact O-N 3.19Å; K299-D302 WeakPolarHBondContact O-CB 3.5Å; K299-D302 PolarHBondContact O-N 2.98Å; K299-D302 VanDerWaalsContact O-N 3.17Å; K299-E303 WeakPolarHBondContact CE-OE1 3.39Å; K299-E303 PolarHBondContact O-N 2.57Å
300	E	98.8	Very high	96.1	Very high	58 Å²	58	70 Å²	70	27%	0.271	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-45.1	177.1	-169.2	-174.8	-171.5	0	0	111.6	F231 H234 H284 A296 V297 R298 D302 E303 F304	F231-E300 HydrophobicContact CE2-CB 4.28Å; F231-E300 HydrophobicContact CE2-CG 3.99Å; F231-E300 HydrophobicContact CZ-CB 4.23Å; F231-E300 HydrophobicContact CZ-CG 4.36Å; H234-E300 IonicContact CD2-OE1 2.91Å; H234-E300 PolarHBondContact CD2-OE1 3.37Å; H234-E300 IonicContact CE1-OE1 3.7Å; H234-E300 IonicContact NE2-OE1 3.77Å; H234-E300 PolarHBondContact NE2-OE1 2.9Å; H284-E300 IonicContact CD2-OE2 2.72Å; H284-E300 IonicContact CE1-OE1 3.92Å; H284-E300 IonicContact CE1-OE2 3.53Å; H284-E300 IonicContact NE2-OE1 2.93Å; H284-E300 PolarHBondContact NE2-OE1 2.92Å; H284-E300 IonicContact NE2-OE2 3.57Å; H284-E300 PolarHBondContact NE2-OE2 3.19Å; A296-E300 WeakPolarHBondContact O-CB 3.16Å; A296-E300 PolarHBondContact O-N 3.48Å; V297-E300 PolarHBondContact O-N 2.82Å; R298-E300 VanDerWaalsContact C-N 3.32Å; R298-E300 PolarHBondContact O-N 2.96Å; E300-D302 VanDerWaalsContact C-N 3.26Å; E300-D302 PolarHBondContact O-N 3.42Å; E300-E303 CarbonylContact O-C 3.59Å; E300-E303 PolarHBondContact O-N 3.22Å; E300-F304 WeakPolarHBondContact O-CB 3.41Å; E300-F304 PolarHBondContact O-N 2.91Å
301	K	98.7	Very high	96	Very high	27 Å²	27	71.4 Å²	71.4	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-32.9	176.7	-167.9	170.7	-171.3	-73.9	0	113.1	N228 F231 F273 V297 R298 K299 E303 F304	N228-K301 VanDerWaalsContact OD1-CE 3.26Å; N228-K301 WeakPolarHBondContact OD1-CE 3.15Å; N228-K301 PolarHBondContact OD1-NZ 2.96Å; F231-K301 HydrophobicContact CB-CD 4.47Å; F231-K301 HydrophobicContact CB-CG 4.37Å; F231-K301 HydrophobicContact CD1-CB 3.92Å; F231-K301 HydrophobicContact CD1-CD 3.56Å; F231-K301 HydrophobicContact CD1-CG 3.73Å; F231-K301 HydrophobicContact CD2-CB 4.13Å; F231-K301 HydrophobicContact CD2-CG 4.11Å; F231-K301 HydrophobicContact CE1-CB 3.63Å; F231-K301 HydrophobicContact CE1-CD 3.97Å; F231-K301 HydrophobicContact CE1-CG 4Å; F231-K301 HydrophobicContact CE2-CB 3.86Å; F231-K301 HydrophobicContact CE2-CG 4.37Å; F231-K301 HydrophobicContact CG-CB 4.14Å; F231-K301 HydrophobicContact CG-CD 4.02Å; F231-K301 HydrophobicContact CG-CG 3.78Å; F231-K301 HydrophobicContact CZ-CB 3.61Å; F231-K301 HydrophobicContact CZ-CG 4.31Å; F273-K301 HydrophobicContact CE2-CD 3.58Å; F273-K301 HydrophobicContact CZ-CB 4.16Å; F273-K301 HydrophobicContact CZ-CD 3.49Å; F273-K301 VanDerWaalsContact CZ-CD 3.49Å; F273-K301 HydrophobicContact CZ-CG 4.45Å; V297-K301 PolarHBondContact O-N 2.69Å; R298-K301 PolarHBondContact O-N 3.23Å; K299-K301 PolarHBondContact O-N 3.19Å; K301-E303 VanDerWaalsContact C-N 3.28Å; K301-E303 PolarHBondContact O-N 3.06Å; K301-F304 PolarHBondContact O-N 3.32Å
302	D	97.7	Very high	95.8	Very high	69 Å²	69	73.6 Å²	73.6	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-69.1	-28.7	179.8	-68.9	-18.9	0	0	0	112.6	K192 R298 K299 E300	K192-D302 WeakPolarHBondContact CE-OD1 3.28Å; R298-D302 IonicContact CZ-OD1 3.83Å; R298-D302 IonicContact NE-OD1 2.74Å; R298-D302 PolarHBondContact NE-OD1 3.05Å; R298-D302 IonicContact NE-OD2 3.53Å; R298-D302 IonicContact NH2-OD1 3.53Å; R298-D302 PolarHBondContact NH2-OD1 3.39Å; R298-D302 VanDerWaalsContact O-CG 3.25Å; R298-D302 PolarHBondContact O-N 3.12Å; R298-D302 VanDerWaalsContact O-N 3.09Å; K299-D302 WeakPolarHBondContact O-CB 3.5Å; K299-D302 PolarHBondContact O-N 2.98Å; K299-D302 VanDerWaalsContact O-N 3.17Å; E300-D302 VanDerWaalsContact C-N 3.26Å; E300-D302 PolarHBondContact O-N 3.42Å
303	E	97.8	Very high	95.6	Very high	146 Å²	146	76.4 Å²	76.4	68%	0.682	35%	0.349	S	S	*	.	H	α-helix	trans	-99.2	-7.3	178.8	-63.3	172.4	-170.6	0	0	112.4	K299 E300 K301 K305	K299-E303 WeakPolarHBondContact CE-OE1 3.39Å; K299-E303 PolarHBondContact O-N 2.57Å; E300-E303 CarbonylContact O-C 3.59Å; E300-E303 PolarHBondContact O-N 3.22Å; K301-E303 VanDerWaalsContact C-N 3.28Å; K301-E303 PolarHBondContact O-N 3.06Å; E303-K305 PolarHBondContact O-N 2.97Å
304	F	97.7	Very high	95.4	Very high	44 Å²	44	81.1 Å²	81.1	19%	0.193	37%	0.371	C	S	.	.			trans	-68.5	118.8	-173.1	-173.3	-109.7	0	0	0	112.7	F231 H234 E300 K301 M306	F231-F304 HydrophobicContact CB-CD1 4.14Å; F231-F304 HydrophobicContact CB-CE1 4.22Å; F231-F304 HydrophobicContact CD2-CB 3.9Å; F231-F304 AromaticContact CD2-CD1 3.83Å; F231-F304 HydrophobicContact CD2-CD1 3.83Å; F231-F304 AromaticContact CD2-CD2 3.98Å; F231-F304 HydrophobicContact CD2-CD2 3.98Å; F231-F304 HydrophobicContact CD2-CE1 4.29Å; F231-F304 HydrophobicContact CD2-CE2 4.44Å; F231-F304 AromaticContact CD2-CG 3.64Å; F231-F304 HydrophobicContact CD2-CG 3.64Å; F231-F304 HydrophobicContact CE2-CB 4.25Å; F231-F304 HydrophobicContact CE2-CD2 4.39Å; F231-F304 HydrophobicContact CE2-CG 4.29Å; F231-F304 HydrophobicContact CG-CD1 4.47Å; H234-F304 HydrophobicContact CB-CE2 3.91Å; H234-F304 HydrophobicContact CB-CZ 3.87Å; H234-F304 AromaticContact CD2-CE2 3.91Å; H234-F304 AromaticContact CG-CE2 3.62Å; H234-F304 AromaticContact ND1-CE2 3.9Å; E300-F304 WeakPolarHBondContact O-CB 3.41Å; E300-F304 PolarHBondContact O-N 2.91Å; K301-F304 PolarHBondContact O-N 3.32Å; F304-M306 HydrophobicContact CD1-CE 3.71Å; F304-M306 HydrophobicContact CD1-SD 3.73Å; F304-M306 HydrophobicContact CE1-CE 4.41Å; F304-M306 HydrophobicContact CE1-SD 3.89Å; F304-M306 PolarHBondContact O-N 2.93Å
305	K	95.9	Very high	95.2	Very high	190 Å²	190	86.5 Å²	86.5	83%	0.826	40%	0.396	S	S	*	.			trans	-77.6	109.7	172.9	-172.5	176.6	-179	178.8	0	109.8	E303 P307	E303-K305 PolarHBondContact O-N 2.97Å; K305-P307 WeakPolarHBondContact O-CD 3.04Å
306	M	94.4	Very high	94.9	Very high	66 Å²	66	83 Å²	83	33%	0.325	39%	0.387	S	S	.	.			trans	-58.7	122.6	-178.1	-67.9	-63.8	159.1	0	0	111.5	N227 K230 F304	N227-M306 HydrophobicContact CB-CE 4.12Å; N227-M306 HydrophobicContact CB-CG 4.42Å; N227-M306 HydrophobicContact CB-SD 3.82Å; K230-M306 HydrophobicContact CB-SD 4.43Å; F304-M306 HydrophobicContact CD1-CE 3.71Å; F304-M306 HydrophobicContact CD1-SD 3.73Å; F304-M306 HydrophobicContact CE1-CE 4.41Å; F304-M306 HydrophobicContact CE1-SD 3.89Å; F304-M306 PolarHBondContact O-N 2.93Å
307	P	90.4	Very high	94.6	Very high	45 Å²	45	87.1 Å²	87.1	29%	0.292	40%	0.398	S	S	.	.			trans	-66.3	152.2	171.9	27.7	-32.5	0	0	0	109.6	K230 K305 D309	K230-P307 HydrophobicContact CB-CG 4.32Å; K230-P307 HydrophobicContact CD-CG 4.25Å; K230-P307 WeakPolarHBondContact CE-O 3.44Å; K230-P307 HydrophobicContact CG-CG 4.42Å; K230-P307 PolarHBondContact NZ-O 3.3Å; K305-P307 WeakPolarHBondContact O-CD 3.04Å; P307-D309 PolarHBondContact O-N 2.64Å
308	R	82.7	Confident	94.2	Very high	228 Å²	228	94.3 Å²	94.3	86%	0.86	43%	0.431	S	S	*	.			trans	-62.2	-36.5	177.8	-166.6	172.7	-178.6	170.8	-0.9	111.2	K230	K230-R308 PolarHBondContact NZ-O 3.3Å
309	D	79.3	Confident	93.8	Very high	119 Å²	119	101.9 Å²	101.9	64%	0.636	47%	0.467	S	S	*	.			trans	-130.5	0	-175.7	-66	-57.1	0	0	0	114.8	R233 K250 P307	R233-D309 PolarHBondContact NH1-OXT 3.2Å; R233-D309 VanDerWaalsContact NH1-OXT 3.08Å; R233-D309 PolarHBondContact NH2-O 2.85Å; R233-D309 PolarHBondContact NH2-OXT 3.5Å; K250-D309 PolarHBondContact NZ-OXT 3.41Å; P307-D309 PolarHBondContact O-N 2.64Å

Retrieved 309 of 309 residues in 232.7 ms (Link to these results)

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