A0A096NNL1_PAPAN Loading...

DNA repair nuclease/redox regulator APEX1

Initiates repair of AP sites in DNA by catalyzing hydrolytic incision of the phosphodiester backbone immediately adjacent to the damage, generating a single-strand break with 5'-deoxyribose phosphate and 3'-hydroxyl ends.

AlphaFold DB (A0A2K5KUU2), UniProt , Accession A0A096NNL1, Species PAPAN (Papio anubis, Olive baboon), Gene APEX1, Length 318 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	33.8	Very low	239 Å²	239	154 Å²	154	100%	1.177	87%	0.868	S	S	*	*				0	147.4	0	-70.3	-169.7	-179.3	0	0	107.7
2	P	45.3	Very low	33.5	Very low	119 Å²	119	157.9 Å²	157.9	77%	0.773	87%	0.874	S	S	*	*			cis	-118	-170.5	8.3	39	-23	0	0	0	111
3	K	33.6	Very low	33.2	Very low	200 Å²	200	159.2 Å²	159.2	87%	0.87	88%	0.879	S	S	*	*			cis	-159.6	144.7	-37	-103.1	177.2	175.2	177	0	106.3
4	R	34.5	Very low	33	Very low	253 Å²	253	153.3 Å²	153.3	96%	0.955	87%	0.872	S	S	*	*			trans	-51.6	155.3	169.2	-78	163.6	159.4	167.3	-5.9	115
5	G	32	Very low	32.6	Very low	81 Å²	81	153.1 Å²	153.1	84%	0.835	87%	0.867	S	S	*	*			trans	-148.8	119.8	153	0	0	0	0	0	112.4
6	K	35.5	Very low	32.6	Very low	194 Å²	194	155.4 Å²	155.4	84%	0.843	87%	0.869	S	S	*	*			trans	-69.4	171.9	175.3	-85.4	170.7	168.1	173.9	0	111.1
7	K	32.4	Very low	32.3	Very low	197 Å²	197	155.8 Å²	155.8	86%	0.857	87%	0.867	S	S	*	*			cis	179.5	156.9	33.2	-135.3	170.7	-176.3	-169.1	0	107.2
8	G	28.8	Very low	32.3	Very low	82 Å²	82	158.7 Å²	158.7	85%	0.845	87%	0.869	S	S	*	*			trans	169.7	112.3	159.3	0	0	0	0	0	111.9
9	A	31.3	Very low	32.2	Very low	95 Å²	95	157.6 Å²	157.6	79%	0.785	87%	0.869	S	S	*	*			trans	-112.1	159.5	-177.4	0	0	0	0	0	110.1
10	V	31.8	Very low	32.3	Very low	147 Å²	147	159.3 Å²	159.3	89%	0.891	87%	0.87	S	S	*	*				154.6	139.1	121.6	173	0	0	0	0	109.2
11	A	30.2	Very low	32.4	Very low	87 Å²	87	157.6 Å²	157.6	72%	0.719	87%	0.867	S	S	*	*			trans	-86.4	164.7	-173.7	0	0	0	0	0	113.2
12	E	30.2	Very low	32.2	Very low	201 Å²	201	155 Å²	155	94%	0.939	85%	0.851	S	S	*	*			trans	-163	151.5	137.1	-113.5	173.1	-163.4	0	0	112.3
13	D	28.8	Very low	31.7	Very low	175 Å²	175	155.4 Å²	155.4	94%	0.936	85%	0.854	S	S	*	*			trans	-68.4	161.7	-166.4	-92.2	-41.9	0	0	0	116.6
14	G	30.4	Very low	31.7	Very low	76 Å²	76	156 Å²	156	78%	0.784	86%	0.857	S	S	*	*			trans	-169.8	92.7	165.1	0	0	0	0	0	111.9
15	D	27.8	Very low	31.5	Very low	150 Å²	150	153.5 Å²	153.5	80%	0.802	85%	0.853	S	S	*	*			trans	-73.5	135	175.6	-170.6	17.3	0	0	0	111.3
16	E	31.8	Very low	31.4	Very low	191 Å²	191	155.5 Å²	155.5	89%	0.893	85%	0.854	S	S	*	*			trans	-160.9	125.8	153.7	-117	179.3	-157.7	0	0	112.9
17	L	28.5	Very low	31.3	Very low	161 Å²	161	155.7 Å²	155.7	84%	0.843	86%	0.855	S	S	*	*			trans	-57.2	141	-173.6	-71.9	136.6	0	0	0	115.8
18	K	32.4	Very low	31.2	Very low	208 Å²	208	152.7 Å²	152.7	90%	0.904	85%	0.853	S	S	*	*			trans	-137.2	135.3	152.6	-75.4	-171.8	179.6	172.4	0	112.1
19	T	30.4	Very low	31.3	Very low	139 Å²	139	153.5 Å²	153.5	85%	0.853	85%	0.852	S	S	*	*			trans	-71.9	149.1	-169.7	34.4	0	0	0	0	115
20	E	33.1	Very low	31.5	Very low	190 Å²	190	153.6 Å²	153.6	89%	0.888	85%	0.853	S	S	*	*			trans	-66.9	159	173.8	-63.2	-174	148.7	0	0	113.6
21	P	35.5	Very low	31.5	Very low	125 Å²	125	156.1 Å²	156.1	81%	0.812	85%	0.852	S	S	*	*			trans	-128.8	138.9	141.2	33.1	-19	0	0	0	114.8
22	E	32.3	Very low	31.6	Very low	183 Å²	183	160.8 Å²	160.8	86%	0.855	86%	0.856	S	S	*	*			trans	-15.1	147.8	172.2	-63.3	-178.6	151.3	0	0	122.6
23	P	33.4	Very low	31.7	Very low	128 Å²	128	158.2 Å²	158.2	83%	0.831	85%	0.849	S	S	*	*			trans	-85.7	131.4	179.8	34.3	-32.5	0	0	0	113.4	K25	P23-K25 PolarHBondContact O-N 3.09Å
24	K	33.7	Very low	32.1	Very low	212 Å²	212	156.6 Å²	156.6	92%	0.922	84%	0.84	S	S	*	*			trans	-78.5	111.9	171.9	-78.8	-178.7	178.9	173.3	0	112
25	K	31.6	Very low	32.5	Very low	202 Å²	202	162.3 Å²	162.3	88%	0.878	84%	0.843	S	S	*	*			trans	-1.3	116.6	156.8	-66.8	176.9	177.9	176.5	0	117.3	P23	P23-K25 PolarHBondContact O-N 3.09Å
26	S	29.1	Very low	33	Very low	122 Å²	122	163.9 Å²	163.9	85%	0.853	85%	0.846	S	S	*	*			trans	-64.9	125.2	162	52.1	0	0	0	0	110.7
27	K	34	Very low	33.5	Very low	198 Å²	198	159.3 Å²	159.3	86%	0.861	84%	0.841	S	S	*	*			trans	-88.2	115	166.6	-79.6	-177	177	179	0	108.5	A29	K27-A29 PolarHBondContact O-N 3.47Å
28	T	30	Very low	34.1	Very low	134 Å²	134	156 Å²	156	82%	0.822	84%	0.837	S	S	*	*			trans	-14	115.2	156.6	40.9	0	0	0	0	114.9	A30	T28-A30 PolarHBondContact O-N 2.86Å
29	A	31.8	Very low	34.6	Very low	100 Å²	100	150 Å²	150	83%	0.826	83%	0.834	S	S	*	*			trans	-63.7	114.1	162.7	0	0	0	0	0	108.9	K27 K31	K27-A29 PolarHBondContact O-N 3.47Å; A29-K31 PolarHBondContact O-N 3.48Å
30	A	34.1	Very low	35.6	Very low	97 Å²	97	152.3 Å²	152.3	80%	0.802	84%	0.835	S	S	*	*			trans	-63.9	113.3	167.8	0	0	0	0	0	108.5	T28 K32	T28-A30 PolarHBondContact O-N 2.86Å; A30-K32 PolarHBondContact O-N 3.05Å
31	K	32.3	Very low	36.9	Very low	199 Å²	199	146.1 Å²	146.1	87%	0.865	82%	0.822	S	S	*	*			trans	-60.1	99.6	163.9	-82.4	179.9	173.1	178.9	0	108.1	A29 N33	A29-K31 PolarHBondContact O-N 3.48Å; K31-N33 PolarHBondContact O-N 2.99Å
32	K	33.5	Very low	38.9	Very low	186 Å²	186	143.7 Å²	143.7	81%	0.809	81%	0.806	S	S	*	*			trans	-71.6	111.1	154.3	-101.3	-177.7	173.6	-177.7	0	106.4	A30 D34	A30-K32 PolarHBondContact O-N 3.05Å; K32-D34 PolarHBondContact O-N 3.15Å
33	N	32.3	Very low	41.3	Very low	147 Å²	147	136.9 Å²	136.9	79%	0.786	78%	0.781	S	S	*	*			trans	-64.9	85.7	161.7	-82.6	-16.1	0	0	0	107.7	K31 K35	K31-N33 PolarHBondContact O-N 2.99Å; N33-K35 VanDerWaalsContact C-N 3.25Å; N33-K35 PolarHBondContact O-N 3.09Å; N33-K35 VanDerWaalsContact O-N 3.11Å
34	D	36.5	Very low	44.2	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	77%	0.772	S	S	*	*			trans	-71.1	97.3	151.3	-74.8	-26	0	0	0	105.1	K32 E36	K32-D34 PolarHBondContact O-N 3.15Å; D34-E36 PolarHBondContact O-N 2.89Å
35	K	38.3	Very low	47.2	Very low	197 Å²	197	128.1 Å²	128.1	86%	0.857	73%	0.734	S	S	*	*			trans	-61.4	92.9	157.4	-86.3	-176.4	173.8	-178.3	0	105.3	N33 A37	N33-K35 VanDerWaalsContact C-N 3.25Å; N33-K35 PolarHBondContact O-N 3.09Å; N33-K35 VanDerWaalsContact O-N 3.11Å; K35-A37 VanDerWaalsContact C-N 3.33Å; K35-A37 PolarHBondContact O-N 3.22Å
36	E	39.1	Very low	50.4	Low	183 Å²	183	125.2 Å²	125.2	86%	0.855	72%	0.724	S	S	*	*			trans	-47	106.4	154.7	-75.3	178.4	148.5	0	0	106.2	D34 A38	D34-E36 PolarHBondContact O-N 2.89Å; E36-A38 PolarHBondContact O-N 3.24Å
37	A	42.6	Very low	53.7	Low	95 Å²	95	120.8 Å²	120.8	79%	0.785	69%	0.69	S	S	*	*			trans	-59.6	110.3	163.2	0	0	0	0	0	105	K35 G39	K35-A37 VanDerWaalsContact C-N 3.33Å; K35-A37 PolarHBondContact O-N 3.22Å; A37-G39 PolarHBondContact O-N 3.11Å; A37-G39 VanDerWaalsContact O-N 3.11Å
38	A	39.9	Very low	56.7	Low	92 Å²	92	113.5 Å²	113.5	76%	0.76	66%	0.663	S	S	*	*			trans	-43.8	120.9	175.3	0	0	0	0	0	108.6	E36 E40	E36-A38 PolarHBondContact O-N 3.24Å; A38-E40 PolarHBondContact O-N 3.11Å
39	G	42.3	Very low	60	Low	81 Å²	81	112.8 Å²	112.8	84%	0.835	66%	0.661	S	S	*	*			trans	-62	101.2	-173.6	0	0	0	0	0	111.2	A37	A37-G39 PolarHBondContact O-N 3.11Å; A37-G39 VanDerWaalsContact O-N 3.11Å
40	E	51.5	Low	63.2	Low	188 Å²	188	110.4 Å²	110.4	88%	0.879	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-65.9	128.6	151.7	-71.1	-178.5	168.5	0	0	106.8	A38	A38-E40 PolarHBondContact O-N 3.11Å
41	G	61.9	Low	66.3	Low	60 Å²	60	110 Å²	110	62%	0.619	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-54.7	171.5	174.2	0	0	0	0	0	112	A43	G41-A43 PolarHBondContact O-N 2.97Å
42	P	75.9	Confident	69.4	Low	74 Å²	74	105.9 Å²	105.9	48%	0.481	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-54.9	129.8	178	23.9	-32.2	0	0	0	110.1	L44 K276	P42-L44 HydrophobicContact CG-CD2 4.42Å; P42-L44 PolarHBondContact O-N 3.19Å; P42-K276 HydrophobicContact CB-CB 4.46Å; P42-K276 WeakPolarHBondContact CB-O 3.36Å
43	A	84.5	Confident	72.5	Confident	39 Å²	39	99.9 Å²	99.9	32%	0.322	58%	0.577	S	S	.	*			trans	-60.5	102.9	173.6	0	0	0	0	0	109.4	G41 Y262 N277	G41-A43 PolarHBondContact O-N 2.97Å; A43-Y262 HydrophobicContact CB-CD1 4.33Å; A43-Y262 HydrophobicContact CB-CD2 3.94Å; A43-Y262 HydrophobicContact CB-CE1 4.22Å; A43-Y262 HydrophobicContact CB-CE2 3.79Å; A43-Y262 HydrophobicContact CB-CG 4.22Å; A43-N277 PolarHBondContact O-ND2 2.81Å
44	L	94.1	Very high	75.7	Confident	124 Å²	124	93.1 Å²	93.1	65%	0.649	54%	0.541	S	S	*	.			trans	-79.5	160.1	175.3	-59.4	-176.6	0	0	0	109.9	P42 N277	P42-L44 HydrophobicContact CG-CD2 4.42Å; P42-L44 PolarHBondContact O-N 3.19Å; L44-N277 HydrophobicContact CD2-CB 4.1Å
45	Y	96.9	Very high	78.6	Confident	33 Å²	33	91.9 Å²	91.9	13%	0.129	54%	0.541	C	S	.	.			trans	-115.5	130.9	175.9	174.2	-108.4	0	0	0	109.6	D47 T260 Y262 A263 I300	Y45-D47 HydrophobicContact CE1-CB 3.74Å; Y45-D47 PolarHBondContact OH-OD1 2.95Å; Y45-T260 HydrophobicContact CD2-CG2 4.49Å; Y45-T260 HydrophobicContact CE2-CG2 3.78Å; Y45-Y262 WeakPolarHBondContact CB-O 3.4Å; Y45-A263 HydrophobicContact CD1-CB 4.31Å; Y45-A263 HydrophobicContact CD2-CB 3.96Å; Y45-A263 HydrophobicContact CE1-CB 3.98Å; Y45-A263 HydrophobicContact CE2-CB 3.59Å; Y45-A263 HydrophobicContact CG-CB 4.3Å; Y45-I300 HydrophobicContact CE1-CB 4.24Å; Y45-I300 HydrophobicContact CE1-CG2 4.44Å
46	E	97.8	Very high	81.4	Confident	141 Å²	141	86.6 Å²	86.6	66%	0.659	53%	0.529	S	S	*	.			trans	-116.5	117.2	166.7	-177.8	149.8	-132.6	0	0	108.1	K303	E46-K303 IonicContact OE1-NZ 2.85Å; E46-K303 PolarHBondContact OE1-NZ 2.85Å
47	D	98.2	Very high	84.2	Confident	28 Å²	28	80.5 Å²	80.5	15%	0.15	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-64.3	132.3	176.6	-158.6	51.7	0	0	0	108.8	Y45 K299 I300	Y45-D47 HydrophobicContact CE1-CB 3.74Å; Y45-D47 PolarHBondContact OH-OD1 2.95Å; D47-K299 WeakPolarHBondContact OD2-CA 3.48Å; D47-K299 WeakPolarHBondContact OD2-CB 3.14Å; D47-K299 WeakPolarHBondContact OD2-CE 3.41Å; D47-K299 IonicContact OD2-NZ 3.72Å; D47-I300 WeakPolarHBondContact CB-O 3.46Å; D47-I300 VanDerWaalsContact CG-O 3.28Å; D47-I300 PolarHBondContact OD1-N 3.35Å; D47-I300 PolarHBondContact OD2-N 2.95Å
48	P	98.3	Very high	86.9	Confident	45 Å²	45	81.9 Å²	81.9	29%	0.292	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-62.5	160.5	-179.6	24.8	-32.4	0	0	0	110.7	Y257 K299	P48-Y257 HydrophobicContact CG-CE1 3.68Å; P48-K299 VanDerWaalsContact O-CE 3.27Å; P48-K299 WeakPolarHBondContact O-CE 3.46Å; P48-K299 PolarHBondContact O-NZ 3.21Å
49	P	98.6	Very high	89.7	Confident	120 Å²	120	81.6 Å²	81.6	78%	0.779	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-53.2	155.3	175.1	-25.3	34.6	0	0	0	113	Q51 K299	P49-Q51 PolarHBondContact O-N 3.31Å; P49-K299 PolarHBondContact O-NZ 2.8Å; P49-K299 VanDerWaalsContact O-NZ 3.07Å
50	D	98.8	Very high	92.4	Very high	50 Å²	50	79.2 Å²	79.2	27%	0.267	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-65.3	120.6	179	-68.5	-3.3	0	0	0	111.5	K52 K299 R301 Y315	D50-K52 HydrophobicContact CB-CG 4.08Å; D50-K52 PolarHBondContact O-N 3.41Å; D50-K299 VanDerWaalsContact OD1-CE 3.28Å; D50-K299 WeakPolarHBondContact OD1-CE 3.31Å; D50-R301 IonicContact OD1-CZ 3.95Å; D50-R301 IonicContact OD1-NH1 3.42Å; D50-R301 PolarHBondContact OD1-NH1 3.22Å; D50-R301 IonicContact OD1-NH2 2.7Å; D50-R301 PolarHBondContact OD1-NH2 3.06Å; D50-R301 IonicContact OD2-CZ 2.79Å; D50-R301 IonicContact OD2-NH1 3.73Å; D50-R301 IonicContact OD2-NH2 3.09Å; D50-R301 PolarHBondContact OD2-NH2 3.26Å; D50-Y315 HydrophobicContact CB-CE2 4.32Å; D50-Y315 PolarHBondContact OD2-OH 2.83Å
51	Q	98.6	Very high	94.6	Very high	89 Å²	89	74 Å²	74	42%	0.416	45%	0.448	S	S	.	.			trans	-84.5	105.6	164.1	174.6	56.4	-79	0	0	109.7	P49 T53 C296 D297	P49-Q51 PolarHBondContact O-N 3.31Å; Q51-T53 VanDerWaalsContact CD-O 3.31Å; Q51-T53 VanDerWaalsContact CG-O 3.28Å; Q51-T53 WeakPolarHBondContact CG-O 3.33Å; Q51-T53 PolarHBondContact OE1-O 2.7Å; Q51-T53 PolarHBondContact OE1-OG1 2.68Å; Q51-C296 WeakPolarHBondContact CG-O 3.24Å; Q51-C296 CarbonylContact O-C 3.5Å; Q51-C296 VanDerWaalsContact O-CB 3.27Å; Q51-C296 WeakPolarHBondContact O-CB 3.49Å; Q51-D297 HydrophobicContact CB-CB 3.99Å; Q51-D297 PolarHBondContact N-OD2 3.03Å; Q51-D297 VanDerWaalsContact O-CB 3.31Å; Q51-D297 WeakPolarHBondContact O-CB 3.34Å
52	K	98.5	Very high	96.4	Very high	111 Å²	111	72.1 Å²	72.1	48%	0.483	42%	0.423	S	S	.	.			trans	-99.2	13.1	-177.9	-58.9	-177.3	-173.7	176.5	0	113.1	D50 P59 A60 Y315	D50-K52 HydrophobicContact CB-CG 4.08Å; D50-K52 PolarHBondContact O-N 3.41Å; K52-P59 CarbonylContact O-C 3.57Å; K52-A60 PolarHBondContact O-N 3.41Å; K52-Y315 HydrophobicContact CD-CE1 4.36Å; K52-Y315 HydrophobicContact CG-CD1 4.39Å; K52-Y315 HydrophobicContact CG-CE1 4.23Å
53	T	98.6	Very high	97.5	Very high	60 Å²	60	69.9 Å²	69.9	37%	0.368	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-126.1	135.7	174.6	57.2	0	0	0	0	110.5	Q51 K58	Q51-T53 VanDerWaalsContact CD-O 3.31Å; Q51-T53 VanDerWaalsContact CG-O 3.28Å; Q51-T53 WeakPolarHBondContact CG-O 3.33Å; Q51-T53 PolarHBondContact OE1-O 2.7Å; Q51-T53 PolarHBondContact OE1-OG1 2.68Å; T53-K58 CarbonylContact C-O 3.59Å; T53-K58 WeakPolarHBondContact CA-O 3.34Å
54	S	98.4	Very high	98.2	Very high	5 Å²	5	68 Å²	68	4%	0.035	39%	0.391	C	S	.	.			trans	-67.2	165.7	175.3	59.1	0	0	0	0	111.3	S56 G57 K58 C296	S54-S56 PolarHBondContact O-N 2.99Å; S54-S56 VanDerWaalsContact O-N 3.09Å; S54-S56 PolarHBondContact OG-OG 3.36Å; S54-G57 PolarHBondContact O-N 3.23Å; S54-K58 PolarHBondContact N-O 2.77Å; S54-K58 WeakPolarHBondContact OG-CA 3.41Å; S54-K58 WeakPolarHBondContact OG-CB 3.49Å; S54-K58 PolarHBondContact OG-N 2.87Å; S54-K58 PolarHBondContact OG-O 3.16Å; S54-K58 VanDerWaalsContact OG-O 3.05Å; S54-C296 PolarHBondContact N-SG 3.24Å
55	P	97.8	Very high	98.4	Very high	115 Å²	115	62.1 Å²	62.1	75%	0.747	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.7	176	-28	35.9	0	0	0	114.4	G57 L295	P55-G57 VanDerWaalsContact C-N 3.31Å; P55-L295 WeakPolarHBondContact CD-O 3.41Å
56	S	97.8	Very high	98.5	Very high	85 Å²	85	60.6 Å²	60.6	59%	0.594	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	9.7	175.9	70	0	0	0	0	113.9	S54 K58	S54-S56 PolarHBondContact O-N 2.99Å; S54-S56 VanDerWaalsContact O-N 3.09Å; S54-S56 PolarHBondContact OG-OG 3.36Å; S56-K58 PolarHBondContact O-N 3.46Å
57	G	98.1	Very high	98.5	Very high	55 Å²	55	53.9 Å²	53.9	57%	0.567	32%	0.322	S	S	*	.	S	Bend	trans	79.7	9	177.8	0	0	0	0	0	115.7	S54 P55	S54-G57 PolarHBondContact O-N 3.23Å; P55-G57 VanDerWaalsContact C-N 3.31Å
58	K	98.6	Very high	98.6	Very high	124 Å²	124	52.5 Å²	52.5	54%	0.539	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-77.8	135.3	174.6	-60.5	-179.2	176.9	-176.5	0	110.5	T53 S54 S56 A317	T53-K58 CarbonylContact C-O 3.59Å; T53-K58 WeakPolarHBondContact CA-O 3.34Å; S54-K58 PolarHBondContact N-O 2.77Å; S54-K58 WeakPolarHBondContact OG-CA 3.41Å; S54-K58 WeakPolarHBondContact OG-CB 3.49Å; S54-K58 PolarHBondContact OG-N 2.87Å; S54-K58 PolarHBondContact OG-O 3.16Å; S54-K58 VanDerWaalsContact OG-O 3.05Å; S56-K58 PolarHBondContact O-N 3.46Å; K58-A317 HydrophobicContact CB-CB 3.84Å
59	P	98.6	Very high	98.6	Very high	86 Å²	86	50.4 Å²	50.4	56%	0.558	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-69.3	148.4	176.1	30.2	-34.9	0	0	0	111.4	K52 T61 A317	K52-P59 CarbonylContact O-C 3.57Å; P59-T61 PolarHBondContact O-N 3.39Å; P59-A317 WeakPolarHBondContact O-CB 3.13Å
60	A	98.7	Very high	98.6	Very high	31 Å²	31	46.2 Å²	46.2	26%	0.256	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-61.3	129.8	172.3	0	0	0	0	0	110.3	K52 C296 Y315 L316	K52-A60 PolarHBondContact O-N 3.41Å; A60-C296 HydrophobicContact CB-CB 4.39Å; A60-Y315 HydrophobicContact CB-CD1 3.97Å; A60-Y315 HydrophobicContact CB-CG 4.49Å; A60-L316 CarbonylContact C-O 3.47Å; A60-L316 WeakPolarHBondContact CA-O 3.35Å
61	T	98.6	Very high	98.6	Very high	80 Å²	80	44.3 Å²	44.3	49%	0.491	26%	0.264	S	S	.	.			trans	-109.8	-14.2	178.8	51.4	0	0	0	0	112.2	P59 L316 L318	P59-T61 PolarHBondContact O-N 3.39Å; T61-L316 PolarHBondContact N-O 3.27Å; T61-L318 PolarHBondContact OG1-N 2.78Å; T61-L318 PolarHBondContact OG1-O 2.74Å
62	L	98.8	Very high	98.6	Very high	20 Å²	20	40 Å²	40	11%	0.105	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131	179.3	-177.7	68.7	0	0	0	111.2	I64 D90 I91 F165 L316 L318	L62-I64 HydrophobicContact CD1-CG1 4.46Å; L62-I64 HydrophobicContact CD2-CD1 3.86Å; L62-I64 HydrophobicContact CD2-CG1 3.96Å; L62-I64 HydrophobicContact CG-CD1 4.42Å; L62-I64 HydrophobicContact CG-CG1 3.96Å; L62-D90 HydrophobicContact CD1-CB 3.68Å; L62-I91 HydrophobicContact CD1-CD1 4.17Å; L62-I91 HydrophobicContact CD1-CG1 4.45Å; L62-F165 HydrophobicContact CD2-CE1 3.63Å; L62-F165 HydrophobicContact CD2-CE2 4.37Å; L62-F165 HydrophobicContact CD2-CZ 3.49Å; L62-F165 VanDerWaalsContact CD2-CZ 3.49Å; L62-L316 HydrophobicContact CB-CB 4.44Å; L62-L316 PolarHBondContact N-O 3.32Å; L62-L316 PolarHBondContact O-N 3.36Å; L62-L318 HydrophobicContact CB-CD1 4.3Å; L62-L318 HydrophobicContact CD2-CD1 3.59Å
63	K	98.9	Very high	98.5	Very high	26 Å²	26	40.1 Å²	40.1	11%	0.113	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.7	171.4	-173.8	179.4	-175.6	174.1	0	110.4	E87 P89 D90 I91 T313 L314 Y315	K63-E87 VanDerWaalsContact CE-O 3.31Å; K63-E87 WeakPolarHBondContact CE-O 3.45Å; K63-E87 WeakPolarHBondContact CE-OE1 3.42Å; K63-E87 PolarHBondContact NZ-O 2.94Å; K63-E87 IonicContact NZ-OE1 3.97Å; K63-E87 PolarHBondContact NZ-OE1 3.44Å; K63-E87 IonicContact NZ-OE2 3.6Å; K63-E87 PolarHBondContact NZ-OE2 3.5Å; K63-P89 HydrophobicContact CG-CB 4.43Å; K63-D90 PolarHBondContact N-OD2 3.02Å; K63-D90 WeakPolarHBondContact O-CB 3.38Å; K63-D90 PolarHBondContact O-N 2.81Å; K63-I91 PolarHBondContact O-N 3.37Å; K63-T313 HydrophobicContact CD-CG2 4.28Å; K63-T313 VanDerWaalsContact CE-CG2 3.45Å; K63-T313 HydrophobicContact CG-CG2 3.8Å; K63-L314 WeakPolarHBondContact CA-O 3.49Å; K63-Y315 HydrophobicContact CB-CD1 4.3Å; K63-Y315 HydrophobicContact CB-CE1 4.12Å; K63-Y315 HydrophobicContact CD-CE1 3.68Å; K63-Y315 WeakPolarHBondContact CE-OH 3.31Å; K63-Y315 HydrophobicContact CG-CD1 4.22Å; K63-Y315 HydrophobicContact CG-CE1 3.75Å; K63-Y315 PolarHBondContact NZ-OH 3.33Å
64	I	98.9	Very high	98.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.7	176.3	-48.4	179.5	0	0	0	108.9	L62 I91 F165 L167 V206 F285 T313 L314	L62-I64 HydrophobicContact CD1-CG1 4.46Å; L62-I64 HydrophobicContact CD2-CD1 3.86Å; L62-I64 HydrophobicContact CD2-CG1 3.96Å; L62-I64 HydrophobicContact CG-CD1 4.42Å; L62-I64 HydrophobicContact CG-CG1 3.96Å; I64-I91 CarbonylContact C-O 3.54Å; I64-I91 WeakPolarHBondContact CA-O 3.11Å; I64-I91 HydrophobicContact CD1-CD1 4.45Å; I64-I91 HydrophobicContact CG1-CB 4.39Å; I64-I91 HydrophobicContact CG1-CD1 4.37Å; I64-I91 HydrophobicContact CG2-CB 4.14Å; I64-I91 HydrophobicContact CG2-CG2 4.37Å; I64-F165 HydrophobicContact CD1-CE2 4.17Å; I64-F165 HydrophobicContact CD1-CZ 4.33Å; I64-L167 HydrophobicContact CD1-CD1 4.31Å; I64-L167 HydrophobicContact CG2-CD2 4.47Å; I64-V206 HydrophobicContact CD1-CG1 4.25Å; I64-F285 HydrophobicContact CB-CE1 3.96Å; I64-F285 HydrophobicContact CB-CZ 4.16Å; I64-F285 HydrophobicContact CG2-CE1 3.68Å; I64-F285 HydrophobicContact CG2-CZ 3.99Å; I64-F285 WeakPolarHBondContact O-CZ 3.41Å; I64-T313 CarbonylContact O-C 3.54Å; I64-T313 VanDerWaalsContact O-CA 3.31Å; I64-T313 WeakPolarHBondContact O-CA 3.42Å; I64-L314 HydrophobicContact CB-CB 4.33Å; I64-L314 HydrophobicContact CD1-CD2 4.37Å; I64-L314 PolarHBondContact N-O 2.87Å; I64-L314 PolarHBondContact O-N 3.26Å
65	C	98.9	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.1	172.3	-179.1	0	0	0	0	109.6	P89 I91 L92 C93 I312	C65-P89 HydrophobicContact CB-CB 3.75Å; C65-P89 HydrophobicContact CB-CG 3.9Å; C65-I91 PolarHBondContact N-O 2.86Å; C65-L92 HydrophobicContact CB-CD1 3.92Å; C65-L92 CarbonylContact O-C 3.53Å; C65-L92 WeakPolarHBondContact O-CA 3.11Å; C65-C93 PolarHBondContact O-N 2.71Å; C65-I312 CarbonylContact C-O 3.53Å; C65-I312 WeakPolarHBondContact CA-O 3.12Å
66	S	98.9	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137	171.1	-170.4	0	0	0	0	110.5	C93 Q95 G209 P311 I312	S66-C93 CarbonylContact C-O 3.54Å; S66-C93 VanDerWaalsContact CA-O 3.28Å; S66-C93 WeakPolarHBondContact CA-O 3.37Å; S66-Q95 PolarHBondContact OG-NE2 2.84Å; S66-Q95 PolarHBondContact OG-OE1 2.89Å; S66-G209 WeakPolarHBondContact OG-CA 3.05Å; S66-G209 PolarHBondContact OG-N 2.91Å; S66-P311 WeakPolarHBondContact O-CA 3.37Å; S66-I312 PolarHBondContact N-O 2.58Å; S66-I312 WeakPolarHBondContact O-CG1 3.37Å; S66-I312 PolarHBondContact O-N 2.86Å
67	W	98.9	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	118.6	-179	-158.7	-6.3	0	0	0	112.2	V69 W75 W83 C93 L94 Q95 A304 L305 H309 P311	W67-V69 HydrophobicContact CB-CG1 4.33Å; W67-V69 HydrophobicContact CD2-CG1 4.49Å; W67-V69 HydrophobicContact CG-CG1 4.23Å; W67-V69 PolarHBondContact O-N 2.81Å; W67-W75 AromaticContact CD2-NE1 3.6Å; W67-W75 AromaticContact CE2-NE1 3.65Å; W67-W75 AromaticContact CE3-CE2 3.76Å; W67-W75 AromaticContact CE3-CZ2 3.67Å; W67-W75 HydrophobicContact CE3-CZ2 3.67Å; W67-W75 AromaticContact CE3-NE1 3.32Å; W67-W75 VanDerWaalsContact CE3-NE1 3.32Å; W67-W75 AromaticContact CH2-NE1 3.24Å; W67-W75 AromaticContact CZ2-NE1 3.5Å; W67-W75 AromaticContact CZ3-CE2 3.68Å; W67-W75 AromaticContact CZ3-CZ2 3.64Å; W67-W75 HydrophobicContact CZ3-CZ2 3.64Å; W67-W75 AromaticContact CZ3-NE1 3.12Å; W67-W83 HydrophobicContact CE3-CE3 4.01Å; W67-W83 HydrophobicContact CE3-CZ3 4.22Å; W67-W83 HydrophobicContact CH2-CD2 4.42Å; W67-W83 HydrophobicContact CH2-CE3 4.25Å; W67-W83 HydrophobicContact CZ3-CB 4.48Å; W67-W83 HydrophobicContact CZ3-CD2 4.04Å; W67-W83 AromaticContact CZ3-CE3 3.46Å; W67-W83 HydrophobicContact CZ3-CE3 3.46Å; W67-W83 VanDerWaalsContact CZ3-CE3 3.46Å; W67-W83 HydrophobicContact CZ3-CG 4.46Å; W67-W83 HydrophobicContact CZ3-CZ3 4.11Å; W67-C93 PolarHBondContact N-O 3.38Å; W67-L94 HydrophobicContact CB-CD2 4.23Å; W67-L94 WeakPolarHBondContact O-CA 3.19Å; W67-Q95 PolarHBondContact O-N 2.75Å; W67-Q95 PolarHBondContact O-OE1 2.99Å; W67-A304 HydrophobicContact CH2-CB 4.23Å; W67-A304 HydrophobicContact CZ2-CB 4.47Å; W67-L305 VanDerWaalsContact CH2-O 3.26Å; W67-L305 WeakPolarHBondContact CH2-O 3.32Å; W67-L305 WeakPolarHBondContact CZ2-O 3.31Å; W67-H309 PolarHBondContact NE1-O 2.98Å; W67-P311 HydrophobicContact CB-CB 4.09Å; W67-P311 HydrophobicContact CD2-CB 3.71Å; W67-P311 HydrophobicContact CD2-CG 3.67Å; W67-P311 VanDerWaalsContact CE2-CD 3.5Å; W67-P311 HydrophobicContact CE3-CB 3.88Å; W67-P311 HydrophobicContact CE3-CG 3.69Å; W67-P311 HydrophobicContact CG-CB 3.83Å; W67-P311 HydrophobicContact CG-CG 4.27Å; W67-P311 HydrophobicContact CH2-CG 4.01Å; W67-P311 HydrophobicContact CZ2-CG 4Å; W67-P311 HydrophobicContact CZ3-CG 3.87Å
68	N	98.9	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	114.1	159.7	-177.8	-24.3	0	0	0	108.9	D70 Q95 E96 D210 S307 H309	N68-D70 PolarHBondContact OD1-N 3.46Å; N68-Q95 HydrophobicContact CB-CB 4.06Å; N68-Q95 VanDerWaalsContact N-OE1 3.15Å; N68-Q95 PolarHBondContact OD1-O 3.41Å; N68-E96 PolarHBondContact ND2-OE2 3.47Å; N68-E96 WeakPolarHBondContact OD1-CB 3.4Å; N68-E96 PolarHBondContact OD1-OE2 2.95Å; N68-D210 HydrophobicContact CB-CB 4.22Å; N68-D210 PolarHBondContact ND2-OD2 2.82Å; N68-S307 VanDerWaalsContact O-CB 3.26Å; N68-S307 WeakPolarHBondContact O-CB 3.33Å; N68-S307 PolarHBondContact O-OG 2.82Å; N68-H309 HydrophobicContact CB-CB 4.01Å
69	V	98.8	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.			trans	-93.9	-4.4	-172.4	-66.5	0	0	0	0	114	W67 G71 L72 W75 L94 Q95	W67-V69 HydrophobicContact CB-CG1 4.33Å; W67-V69 HydrophobicContact CD2-CG1 4.49Å; W67-V69 HydrophobicContact CG-CG1 4.23Å; W67-V69 PolarHBondContact O-N 2.81Å; V69-G71 VanDerWaalsContact C-N 3.27Å; V69-G71 PolarHBondContact O-N 3.24Å; V69-L72 HydrophobicContact CG2-CB 4.38Å; V69-L72 HydrophobicContact CG2-CD1 4.49Å; V69-W75 HydrophobicContact CB-CB 3.82Å; V69-W75 HydrophobicContact CB-CD2 4.08Å; V69-W75 HydrophobicContact CB-CG 3.7Å; V69-W75 HydrophobicContact CG1-CB 4.37Å; V69-W75 HydrophobicContact CG1-CD2 3.64Å; V69-W75 HydrophobicContact CG1-CE3 4.2Å; V69-W75 HydrophobicContact CG1-CG 3.71Å; V69-W75 HydrophobicContact CG1-CZ2 4.37Å; V69-L94 HydrophobicContact CG1-CD2 3.77Å; V69-Q95 WeakPolarHBondContact CG2-O 3.43Å; V69-Q95 PolarHBondContact N-O 2.88Å
70	D	98.4	Very high	98.5	Very high	33 Å²	33	36.9 Å²	36.9	18%	0.176	18%	0.183	C	C	.	.	S	Bend	trans	44.9	52.5	-179	179.6	32.9	0	0	0	112.4	N68 K98 Y269 D308	N68-D70 PolarHBondContact OD1-N 3.46Å; D70-K98 IonicContact OD1-NZ 2.65Å; D70-K98 PolarHBondContact OD1-NZ 3.39Å; D70-Y269 VanDerWaalsContact OD2-CE2 3.31Å; D70-Y269 WeakPolarHBondContact OD2-CE2 3.28Å; D70-Y269 PolarHBondContact OD2-OH 3.36Å; D70-Y269 VanDerWaalsContact OD2-OH 3.13Å; D70-D308 WeakPolarHBondContact CB-OD1 3.29Å
71	G	98.2	Very high	98.4	Very high	9 Å²	9	35.8 Å²	35.8	9%	0.093	17%	0.173	C	C	.	.	S	Bend	trans	94.7	102.1	-174.3	0	0	0	0	0	113.6	V69 R73 A74 W75 E96	V69-G71 VanDerWaalsContact C-N 3.27Å; V69-G71 PolarHBondContact O-N 3.24Å; G71-R73 VanDerWaalsContact C-N 3.34Å; G71-R73 PolarHBondContact O-N 3.32Å; G71-A74 PolarHBondContact O-N 3.17Å; G71-W75 PolarHBondContact O-N 2.98Å; G71-E96 PolarHBondContact N-O 2.67Å
72	L	98.4	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-50.6	-48	-177	-176.5	63.2	0	0	0	113.4	V69 A74 W75 I76 L94 T97 C99 L104 L108 W119	V69-L72 HydrophobicContact CG2-CB 4.38Å; V69-L72 HydrophobicContact CG2-CD1 4.49Å; L72-A74 VanDerWaalsContact C-N 3.34Å; L72-A74 PolarHBondContact O-N 2.82Å; L72-W75 HydrophobicContact CD1-CE3 4.04Å; L72-W75 HydrophobicContact CD1-CZ3 4.21Å; L72-W75 PolarHBondContact O-N 2.91Å; L72-I76 HydrophobicContact CD1-CD1 4.43Å; L72-I76 HydrophobicContact CG-CD1 4.32Å; L72-I76 WeakPolarHBondContact O-CG1 3.38Å; L72-I76 PolarHBondContact O-N 2.83Å; L72-L94 HydrophobicContact CD1-CD1 3.81Å; L72-T97 VanDerWaalsContact CB-O 3.28Å; L72-T97 WeakPolarHBondContact CB-O 3.47Å; L72-T97 PolarHBondContact N-O 3.05Å; L72-C99 HydrophobicContact CB-CB 4.32Å; L72-C99 HydrophobicContact CD2-CB 4.11Å; L72-L104 HydrophobicContact CD2-CD2 3.59Å; L72-L108 HydrophobicContact CD1-CD2 4.44Å; L72-L108 HydrophobicContact CD2-CD1 3.84Å; L72-L108 HydrophobicContact CG-CD1 4.42Å; L72-W119 HydrophobicContact CD1-CH2 4.19Å; L72-W119 HydrophobicContact CD1-CZ3 4.42Å; L72-W119 HydrophobicContact CD2-CH2 3.73Å; L72-W119 HydrophobicContact CD2-CZ3 3.66Å
73	R	97.4	Very high	98.3	Very high	112 Å²	112	36.4 Å²	36.4	42%	0.423	17%	0.17	S	C	.	.	H	α-helix	trans	-63.9	-37.3	-179.8	-74.5	168.7	-71.9	168.2	-1.3	112.7	G71 K77 K98 P105	G71-R73 VanDerWaalsContact C-N 3.34Å; G71-R73 PolarHBondContact O-N 3.32Å; R73-K77 WeakPolarHBondContact O-CG 3.36Å; R73-K77 PolarHBondContact O-N 3.26Å; R73-K98 PolarHBondContact NH2-O 3.18Å; R73-P105 HydrophobicContact CG-CG 3.56Å
74	A	98	Very high	98.3	Very high	41 Å²	41	35.2 Å²	35.2	34%	0.339	17%	0.165	S	C	.	.	H	α-helix	trans	-72.9	-42.1	178.1	0	0	0	0	0	110.6	G71 L72 K77 K78	G71-A74 PolarHBondContact O-N 3.17Å; L72-A74 VanDerWaalsContact C-N 3.34Å; L72-A74 PolarHBondContact O-N 2.82Å; A74-K77 PolarHBondContact O-N 3.3Å; A74-K78 VanDerWaalsContact O-CG 3.27Å; A74-K78 WeakPolarHBondContact O-CG 3.4Å; A74-K78 PolarHBondContact O-N 2.96Å
75	W	98.6	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-42.8	176	172.3	85.2	0	0	0	113	W67 V69 G71 L72 K77 K78 K79 G80 L81 V84	W67-W75 AromaticContact CD2-NE1 3.6Å; W67-W75 AromaticContact CE2-NE1 3.65Å; W67-W75 AromaticContact CE3-CE2 3.76Å; W67-W75 AromaticContact CE3-CZ2 3.67Å; W67-W75 HydrophobicContact CE3-CZ2 3.67Å; W67-W75 AromaticContact CE3-NE1 3.32Å; W67-W75 VanDerWaalsContact CE3-NE1 3.32Å; W67-W75 AromaticContact CH2-NE1 3.24Å; W67-W75 AromaticContact CZ2-NE1 3.5Å; W67-W75 AromaticContact CZ3-CE2 3.68Å; W67-W75 AromaticContact CZ3-CZ2 3.64Å; W67-W75 HydrophobicContact CZ3-CZ2 3.64Å; W67-W75 AromaticContact CZ3-NE1 3.12Å; V69-W75 HydrophobicContact CB-CB 3.82Å; V69-W75 HydrophobicContact CB-CD2 4.08Å; V69-W75 HydrophobicContact CB-CG 3.7Å; V69-W75 HydrophobicContact CG1-CB 4.37Å; V69-W75 HydrophobicContact CG1-CD2 3.64Å; V69-W75 HydrophobicContact CG1-CE3 4.2Å; V69-W75 HydrophobicContact CG1-CG 3.71Å; V69-W75 HydrophobicContact CG1-CZ2 4.37Å; G71-W75 PolarHBondContact O-N 2.98Å; L72-W75 HydrophobicContact CD1-CE3 4.04Å; L72-W75 HydrophobicContact CD1-CZ3 4.21Å; L72-W75 PolarHBondContact O-N 2.91Å; W75-K77 PolarHBondContact O-N 3.01Å; W75-K78 CarbonylContact O-C 3.4Å; W75-K78 PolarHBondContact O-N 3.47Å; W75-K78 VanDerWaalsContact O-N 3.16Å; W75-K79 PolarHBondContact O-N 2.73Å; W75-G80 VanDerWaalsContact CZ2-O 3.23Å; W75-G80 WeakPolarHBondContact CZ2-O 3.45Å; W75-G80 PolarHBondContact O-N 3.07Å; W75-L81 HydrophobicContact CH2-CD2 3.64Å; W75-L81 HydrophobicContact CH2-CG 3.93Å; W75-L81 HydrophobicContact CZ3-CD2 3.61Å; W75-L81 HydrophobicContact CZ3-CG 3.67Å; W75-V84 HydrophobicContact CH2-CG2 3.75Å; W75-V84 HydrophobicContact CZ2-CG2 3.65Å
76	I	98.1	Very high	98.2	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-48.7	173.6	-69.9	175.7	0	0	0	110.9	L72 K78 K79 L81 P105 E107 L108	L72-I76 HydrophobicContact CD1-CD1 4.43Å; L72-I76 HydrophobicContact CG-CD1 4.32Å; L72-I76 WeakPolarHBondContact O-CG1 3.38Å; L72-I76 PolarHBondContact O-N 2.83Å; I76-K78 PolarHBondContact O-N 3.37Å; I76-K79 PolarHBondContact O-N 2.86Å; I76-L81 HydrophobicContact CB-CD1 4.4Å; I76-L81 HydrophobicContact CD1-CD1 3.85Å; I76-L81 HydrophobicContact CD1-CG 4.49Å; I76-L81 HydrophobicContact CG1-CD1 3.68Å; I76-L81 HydrophobicContact CG1-CG 3.92Å; I76-L81 HydrophobicContact CG2-CD1 4Å; I76-P105 HydrophobicContact CD1-CB 3.71Å; I76-P105 HydrophobicContact CD1-CG 3.77Å; I76-E107 HydrophobicContact CG2-CB 4.4Å; I76-E107 HydrophobicContact CG2-CG 4.35Å; I76-L108 HydrophobicContact CD1-CD1 4.44Å; I76-L108 HydrophobicContact CD1-CD2 4.35Å; I76-L108 HydrophobicContact CD1-CG 4.14Å
77	K	97.9	Very high	98.2	Very high	172 Å²	172	48.8 Å²	48.8	75%	0.748	23%	0.227	S	C	*	.	H	α-helix	trans	-59.9	-33.5	177.5	-71.3	175.6	-177.3	-175.3	0	112.6	R73 A74 W75 K79	R73-K77 WeakPolarHBondContact O-CG 3.36Å; R73-K77 PolarHBondContact O-N 3.26Å; A74-K77 PolarHBondContact O-N 3.3Å; W75-K77 PolarHBondContact O-N 3.01Å; K77-K79 PolarHBondContact O-N 2.67Å
78	K	98.2	Very high	98.2	Very high	99 Å²	99	52 Å²	52	43%	0.43	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	17.7	174.9	-64	167.2	-176	174.3	0	113.3	A74 W75 I76 G80 Y269 G306	A74-K78 VanDerWaalsContact O-CG 3.27Å; A74-K78 WeakPolarHBondContact O-CG 3.4Å; A74-K78 PolarHBondContact O-N 2.96Å; W75-K78 CarbonylContact O-C 3.4Å; W75-K78 PolarHBondContact O-N 3.47Å; W75-K78 VanDerWaalsContact O-N 3.16Å; I76-K78 PolarHBondContact O-N 3.37Å; K78-G80 VanDerWaalsContact C-N 3.32Å; K78-G80 PolarHBondContact O-N 3.29Å; K78-Y269 PolarHBondContact NZ-OH 3.42Å; K78-G306 WeakPolarHBondContact CD-O 3.47Å; K78-G306 PolarHBondContact NZ-O 3.48Å
79	K	97.9	Very high	98.2	Very high	135 Å²	135	52.4 Å²	52.4	59%	0.587	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	23.5	174	-49.2	-51.7	-161.9	159.7	0	115.1	W75 I76 K77 L81 D82 W83	W75-K79 PolarHBondContact O-N 2.73Å; I76-K79 PolarHBondContact O-N 2.86Å; K77-K79 PolarHBondContact O-N 2.67Å; K79-L81 VanDerWaalsContact C-N 3.3Å; K79-L81 PolarHBondContact O-N 3.48Å; K79-D82 HydrophobicContact CB-CB 4.4Å; K79-D82 WeakPolarHBondContact CD-OD2 3.4Å; K79-D82 PolarHBondContact O-N 3.23Å; K79-D82 VanDerWaalsContact O-N 3.14Å; K79-W83 PolarHBondContact O-N 3.4Å
80	G	98.1	Very high	98.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-36.8	176.9	0	0	0	0	0	114.1	W75 K78 D82 W83 V84	W75-G80 VanDerWaalsContact CZ2-O 3.23Å; W75-G80 WeakPolarHBondContact CZ2-O 3.45Å; W75-G80 PolarHBondContact O-N 3.07Å; K78-G80 VanDerWaalsContact C-N 3.32Å; K78-G80 PolarHBondContact O-N 3.29Å; G80-D82 VanDerWaalsContact C-N 3.33Å; G80-D82 PolarHBondContact O-N 2.83Å; G80-W83 PolarHBondContact O-N 3.46Å; G80-V84 PolarHBondContact O-N 3.12Å
81	L	97.4	Very high	98.2	Very high	8 Å²	8	52 Å²	52	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-33	175.7	-75.6	175.7	0	0	0	113.3	W75 I76 K79 W83 V84 K85 E107 L108 L111	W75-L81 HydrophobicContact CH2-CD2 3.64Å; W75-L81 HydrophobicContact CH2-CG 3.93Å; W75-L81 HydrophobicContact CZ3-CD2 3.61Å; W75-L81 HydrophobicContact CZ3-CG 3.67Å; I76-L81 HydrophobicContact CB-CD1 4.4Å; I76-L81 HydrophobicContact CD1-CD1 3.85Å; I76-L81 HydrophobicContact CD1-CG 4.49Å; I76-L81 HydrophobicContact CG1-CD1 3.68Å; I76-L81 HydrophobicContact CG1-CG 3.92Å; I76-L81 HydrophobicContact CG2-CD1 4Å; K79-L81 VanDerWaalsContact C-N 3.3Å; K79-L81 PolarHBondContact O-N 3.48Å; L81-W83 VanDerWaalsContact C-N 3.31Å; L81-V84 PolarHBondContact O-N 3.14Å; L81-K85 VanDerWaalsContact O-CG 3.31Å; L81-K85 WeakPolarHBondContact O-CG 3.16Å; L81-K85 PolarHBondContact O-N 3.08Å; L81-E107 HydrophobicContact CD1-CB 3.63Å; L81-L108 HydrophobicContact CD2-CD2 4.12Å; L81-L111 HydrophobicContact CD2-CD1 3.7Å; L81-L111 HydrophobicContact CD2-CD2 4.27Å; L81-L111 HydrophobicContact CD2-CG 4.26Å
82	D	97.8	Very high	98.2	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	25%	0.249	S	C	.	.	H	α-helix	trans	-65.3	-42	177.3	-61.8	-21	0	0	0	109.4	K79 G80 V84 K85 E86	K79-D82 HydrophobicContact CB-CB 4.4Å; K79-D82 WeakPolarHBondContact CD-OD2 3.4Å; K79-D82 PolarHBondContact O-N 3.23Å; K79-D82 VanDerWaalsContact O-N 3.14Å; G80-D82 VanDerWaalsContact C-N 3.33Å; G80-D82 PolarHBondContact O-N 2.83Å; D82-V84 PolarHBondContact O-N 3.04Å; D82-K85 WeakPolarHBondContact O-CB 3.28Å; D82-K85 PolarHBondContact O-N 3.37Å; D82-E86 PolarHBondContact O-N 3.23Å; D82-E86 VanDerWaalsContact O-N 3.1Å
83	W	98.5	Very high	98.3	Very high	45 Å²	45	51.6 Å²	51.6	17%	0.17	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-40.6	172.3	-173.8	84.5	0	0	0	112.7	W67 K79 G80 L81 K85 E86 E87 R301 A304 P311	W67-W83 HydrophobicContact CE3-CE3 4.01Å; W67-W83 HydrophobicContact CE3-CZ3 4.22Å; W67-W83 HydrophobicContact CH2-CD2 4.42Å; W67-W83 HydrophobicContact CH2-CE3 4.25Å; W67-W83 HydrophobicContact CZ3-CB 4.48Å; W67-W83 HydrophobicContact CZ3-CD2 4.04Å; W67-W83 AromaticContact CZ3-CE3 3.46Å; W67-W83 HydrophobicContact CZ3-CE3 3.46Å; W67-W83 VanDerWaalsContact CZ3-CE3 3.46Å; W67-W83 HydrophobicContact CZ3-CG 4.46Å; W67-W83 HydrophobicContact CZ3-CZ3 4.11Å; K79-W83 PolarHBondContact O-N 3.4Å; G80-W83 PolarHBondContact O-N 3.46Å; L81-W83 VanDerWaalsContact C-N 3.31Å; W83-K85 VanDerWaalsContact C-N 3.3Å; W83-K85 PolarHBondContact O-N 2.98Å; W83-E86 WeakPolarHBondContact O-CB 3.31Å; W83-E86 PolarHBondContact O-N 3.4Å; W83-E87 HydrophobicContact CD2-CB 4.45Å; W83-E87 HydrophobicContact CE3-CB 4.08Å; W83-E87 HydrophobicContact CH2-CB 3.64Å; W83-E87 HydrophobicContact CH2-CG 3.4Å; W83-E87 VanDerWaalsContact CH2-CG 3.4Å; W83-E87 HydrophobicContact CZ2-CB 4.01Å; W83-E87 HydrophobicContact CZ2-CG 4.04Å; W83-E87 HydrophobicContact CZ3-CB 3.68Å; W83-E87 HydrophobicContact CZ3-CG 3.76Å; W83-E87 WeakPolarHBondContact O-CB 3.43Å; W83-E87 PolarHBondContact O-N 3.48Å; W83-R301 HydrophobicContact CH2-CB 4.12Å; W83-R301 HydrophobicContact CH2-CG 3.78Å; W83-R301 HydrophobicContact CZ2-CB 3.67Å; W83-R301 HydrophobicContact CZ2-CG 3.6Å; W83-A304 HydrophobicContact CD2-CB 3.91Å; W83-A304 HydrophobicContact CG-CB 4.02Å; W83-A304 HydrophobicContact CZ2-CB 4.14Å; W83-P311 HydrophobicContact CD2-CG 4.21Å; W83-P311 HydrophobicContact CE3-CG 3.86Å; W83-P311 HydrophobicContact CH2-CB 3.6Å; W83-P311 HydrophobicContact CH2-CG 3.29Å; W83-P311 HydrophobicContact CZ2-CB 4.43Å; W83-P311 HydrophobicContact CZ2-CG 3.69Å; W83-P311 HydrophobicContact CZ3-CB 3.64Å; W83-P311 HydrophobicContact CZ3-CG 3.39Å
84	V	98.6	Very high	98.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-38.4	175.6	165.5	0	0	0	0	111.6	W75 G80 L81 D82 E86 E87 A88 L92 L114	W75-V84 HydrophobicContact CH2-CG2 3.75Å; W75-V84 HydrophobicContact CZ2-CG2 3.65Å; G80-V84 PolarHBondContact O-N 3.12Å; L81-V84 PolarHBondContact O-N 3.14Å; D82-V84 PolarHBondContact O-N 3.04Å; V84-E86 VanDerWaalsContact C-N 3.32Å; V84-E87 PolarHBondContact O-N 3.17Å; V84-A88 PolarHBondContact O-N 2.85Å; V84-L92 HydrophobicContact CG1-CD2 3.81Å; V84-L92 HydrophobicContact CG2-CD1 4.25Å; V84-L92 HydrophobicContact CG2-CD2 3.99Å; V84-L114 HydrophobicContact CG1-CD1 3.95Å
85	K	97.9	Very high	98.4	Very high	105 Å²	105	44.3 Å²	44.3	46%	0.457	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-38.7	175.7	-70.9	167.5	-176.5	173.7	0	111.4	L81 D82 W83 L111	L81-K85 VanDerWaalsContact O-CG 3.31Å; L81-K85 WeakPolarHBondContact O-CG 3.16Å; L81-K85 PolarHBondContact O-N 3.08Å; D82-K85 WeakPolarHBondContact O-CB 3.28Å; D82-K85 PolarHBondContact O-N 3.37Å; W83-K85 VanDerWaalsContact C-N 3.3Å; W83-K85 PolarHBondContact O-N 2.98Å; K85-L111 HydrophobicContact CG-CD2 3.99Å
86	E	97.9	Very high	98.4	Very high	158 Å²	158	45.7 Å²	45.7	74%	0.738	22%	0.22	S	C	*	.	H	α-helix	trans	-68.8	-41.7	174	-68.3	173.7	-172.1	0	0	112.3	D82 W83 V84 A88	D82-E86 PolarHBondContact O-N 3.23Å; D82-E86 VanDerWaalsContact O-N 3.1Å; W83-E86 WeakPolarHBondContact O-CB 3.31Å; W83-E86 PolarHBondContact O-N 3.4Å; V84-E86 VanDerWaalsContact C-N 3.32Å; E86-A88 VanDerWaalsContact C-N 3.32Å; E86-A88 PolarHBondContact O-N 2.98Å
87	E	98.6	Very high	98.4	Very high	22 Å²	22	45 Å²	45	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-30.4	179.1	-175.3	68.7	169.2	0	0	111.5	K63 W83 V84 R301 T313	K63-E87 VanDerWaalsContact CE-O 3.31Å; K63-E87 WeakPolarHBondContact CE-O 3.45Å; K63-E87 WeakPolarHBondContact CE-OE1 3.42Å; K63-E87 PolarHBondContact NZ-O 2.94Å; K63-E87 IonicContact NZ-OE1 3.97Å; K63-E87 PolarHBondContact NZ-OE1 3.44Å; K63-E87 IonicContact NZ-OE2 3.6Å; K63-E87 PolarHBondContact NZ-OE2 3.5Å; W83-E87 HydrophobicContact CD2-CB 4.45Å; W83-E87 HydrophobicContact CE3-CB 4.08Å; W83-E87 HydrophobicContact CH2-CB 3.64Å; W83-E87 HydrophobicContact CH2-CG 3.4Å; W83-E87 VanDerWaalsContact CH2-CG 3.4Å; W83-E87 HydrophobicContact CZ2-CB 4.01Å; W83-E87 HydrophobicContact CZ2-CG 4.04Å; W83-E87 HydrophobicContact CZ3-CB 3.68Å; W83-E87 HydrophobicContact CZ3-CG 3.76Å; W83-E87 WeakPolarHBondContact O-CB 3.43Å; W83-E87 PolarHBondContact O-N 3.48Å; V84-E87 PolarHBondContact O-N 3.17Å; E87-R301 IonicContact OE1-CZ 2.95Å; E87-R301 IonicContact OE1-NE 3.94Å; E87-R301 PolarHBondContact OE1-NE 3.42Å; E87-R301 IonicContact OE1-NH2 2.75Å; E87-R301 PolarHBondContact OE1-NH2 2.89Å; E87-R301 IonicContact OE2-CZ 3.02Å; E87-R301 IonicContact OE2-NE 2.94Å; E87-R301 IonicContact OE2-NH2 3.83Å; E87-T313 WeakPolarHBondContact OE1-CB 3.33Å; E87-T313 VanDerWaalsContact OE1-CG2 3.29Å; E87-T313 WeakPolarHBondContact OE1-CG2 3.19Å; E87-T313 PolarHBondContact OE1-OG1 3.45Å
88	A	98.4	Very high	98.3	Very high	69 Å²	69	39.4 Å²	39.4	57%	0.57	19%	0.192	S	C	*	.			trans	44.9	56.1	176.7	0	0	0	0	0	114.1	V84 E86	V84-A88 PolarHBondContact O-N 2.85Å; E86-A88 VanDerWaalsContact C-N 3.32Å; E86-A88 PolarHBondContact O-N 2.98Å
89	P	98.7	Very high	98.2	Very high	8 Å²	8	35 Å²	35	5%	0.052	17%	0.173	C	C	.	.			trans	-71.2	156.6	176.3	33.6	-36.2	0	0	0	111.4	K63 C65 I91 L92 L114	K63-P89 HydrophobicContact CG-CB 4.43Å; C65-P89 HydrophobicContact CB-CB 3.75Å; C65-P89 HydrophobicContact CB-CG 3.9Å; P89-I91 WeakPolarHBondContact CB-O 3.18Å; P89-L92 HydrophobicContact CG-CB 4.26Å; P89-L114 HydrophobicContact CG-CD1 4.28Å; P89-L114 WeakPolarHBondContact O-CD2 3.47Å
90	D	98.8	Very high	97.9	Very high	21 Å²	21	29.7 Å²	29.7	11%	0.112	15%	0.154	C	C	.	.	S	Bend	trans	-75.3	-32.5	168.5	-64.3	-70.4	0	0	0	111.7	L62 K63 R136	L62-D90 HydrophobicContact CD1-CB 3.68Å; K63-D90 PolarHBondContact N-OD2 3.02Å; K63-D90 WeakPolarHBondContact O-CB 3.38Å; K63-D90 PolarHBondContact O-N 2.81Å; D90-R136 WeakPolarHBondContact O-CB 3.24Å; D90-R136 PolarHBondContact O-N 3.32Å; D90-R136 IonicContact OD1-CZ 2.98Å; D90-R136 IonicContact OD1-NE 3.78Å; D90-R136 PolarHBondContact OD1-NE 3.13Å; D90-R136 IonicContact OD1-NH2 3.75Å; D90-R136 PolarHBondContact OD1-NH2 3.02Å
91	I	98.9	Very high	97.5	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.6	177.6	-53.5	170.8	0	0	0	108.9	L62 K63 I64 C65 P89 L133 L134 F162 F165 L167	L62-I91 HydrophobicContact CD1-CD1 4.17Å; L62-I91 HydrophobicContact CD1-CG1 4.45Å; K63-I91 PolarHBondContact O-N 3.37Å; I64-I91 CarbonylContact C-O 3.54Å; I64-I91 WeakPolarHBondContact CA-O 3.11Å; I64-I91 HydrophobicContact CD1-CD1 4.45Å; I64-I91 HydrophobicContact CG1-CB 4.39Å; I64-I91 HydrophobicContact CG1-CD1 4.37Å; I64-I91 HydrophobicContact CG2-CB 4.14Å; I64-I91 HydrophobicContact CG2-CG2 4.37Å; C65-I91 PolarHBondContact N-O 2.86Å; P89-I91 WeakPolarHBondContact CB-O 3.18Å; I91-L133 HydrophobicContact CG2-CD2 4.29Å; I91-L133 HydrophobicContact CG2-CG 4.3Å; I91-L134 CarbonylContact C-O 3.49Å; I91-L134 WeakPolarHBondContact CA-O 3.44Å; I91-F162 HydrophobicContact CD1-CD2 4.41Å; I91-F162 HydrophobicContact CD1-CE1 4.21Å; I91-F162 HydrophobicContact CD1-CE2 3.66Å; I91-F162 HydrophobicContact CD1-CZ 3.53Å; I91-F162 HydrophobicContact CG1-CZ 4.24Å; I91-F165 HydrophobicContact CD1-CZ 4.07Å; I91-L167 HydrophobicContact CB-CD2 4.42Å; I91-L167 HydrophobicContact CD1-CD2 4.01Å; I91-L167 HydrophobicContact CG2-CD2 3.54Å
92	L	98.9	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.6	175	177.4	66.4	0	0	0	109.9	C65 V84 P89 L94 L114 L133 L134	C65-L92 HydrophobicContact CB-CD1 3.92Å; C65-L92 CarbonylContact O-C 3.53Å; C65-L92 WeakPolarHBondContact O-CA 3.11Å; V84-L92 HydrophobicContact CG1-CD2 3.81Å; V84-L92 HydrophobicContact CG2-CD1 4.25Å; V84-L92 HydrophobicContact CG2-CD2 3.99Å; P89-L92 HydrophobicContact CG-CB 4.26Å; L92-L94 HydrophobicContact CD1-CD2 3.77Å; L92-L94 HydrophobicContact CD2-CD1 4.31Å; L92-L94 HydrophobicContact CD2-CD2 3.94Å; L92-L94 HydrophobicContact CD2-CG 4.23Å; L92-L94 HydrophobicContact CG-CD2 3.73Å; L92-L94 HydrophobicContact CG-CG 4.06Å; L92-L114 HydrophobicContact CB-CD1 3.88Å; L92-L114 HydrophobicContact CB-CD2 4.46Å; L92-L114 HydrophobicContact CD2-CD1 4.1Å; L92-L133 WeakPolarHBondContact O-CA 3.36Å; L92-L134 HydrophobicContact CB-CB 4.35Å; L92-L134 HydrophobicContact CD2-CD1 4.29Å; L92-L134 HydrophobicContact CG-CD1 4.47Å; L92-L134 PolarHBondContact N-O 3.29Å; L92-L134 PolarHBondContact O-N 3.46Å
93	C	98.9	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.1	174.8	-63.4	0	0	0	0	109.6	C65 S66 W67 G132 T169 C208	C65-C93 PolarHBondContact O-N 2.71Å; S66-C93 CarbonylContact C-O 3.54Å; S66-C93 VanDerWaalsContact CA-O 3.28Å; S66-C93 WeakPolarHBondContact CA-O 3.37Å; W67-C93 PolarHBondContact N-O 3.38Å; C93-G132 WeakPolarHBondContact CA-O 3.29Å; C93-T169 HydrophobicContact CB-CG2 4.31Å; C93-C208 VanDerWaalsContact SG-SG 3.63Å
94	L	98.9	Very high	96.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137	-179.4	-57.6	-177.3	0	0	0	110.2	W67 V69 L72 L92 T97 W119 V131 G132 L134	W67-L94 HydrophobicContact CB-CD2 4.23Å; W67-L94 WeakPolarHBondContact O-CA 3.19Å; V69-L94 HydrophobicContact CG1-CD2 3.77Å; L72-L94 HydrophobicContact CD1-CD1 3.81Å; L92-L94 HydrophobicContact CD1-CD2 3.77Å; L92-L94 HydrophobicContact CD2-CD1 4.31Å; L92-L94 HydrophobicContact CD2-CD2 3.94Å; L92-L94 HydrophobicContact CD2-CG 4.23Å; L92-L94 HydrophobicContact CG-CD2 3.73Å; L92-L94 HydrophobicContact CG-CG 4.06Å; L94-T97 HydrophobicContact CB-CG2 4.27Å; L94-W119 HydrophobicContact CD1-CH2 4.03Å; L94-W119 HydrophobicContact CD1-CZ3 4.33Å; L94-V131 CarbonylContact O-C 3.56Å; L94-V131 VanDerWaalsContact O-CA 3.24Å; L94-V131 WeakPolarHBondContact O-CA 3.46Å; L94-G132 PolarHBondContact N-O 2.9Å; L94-G132 PolarHBondContact O-N 3.49Å; L94-L134 HydrophobicContact CD1-CD1 4Å; L94-L134 HydrophobicContact CG-CD1 4.25Å
95	Q	98.9	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	157.6	174.8	-59.6	81.8	41.8	0	0	111.1	S66 W67 N68 V69 T97 G130 V131 T169 T170 Y171	S66-Q95 PolarHBondContact OG-NE2 2.84Å; S66-Q95 PolarHBondContact OG-OE1 2.89Å; W67-Q95 PolarHBondContact O-N 2.75Å; W67-Q95 PolarHBondContact O-OE1 2.99Å; N68-Q95 HydrophobicContact CB-CB 4.06Å; N68-Q95 VanDerWaalsContact N-OE1 3.15Å; N68-Q95 PolarHBondContact OD1-O 3.41Å; V69-Q95 WeakPolarHBondContact CG2-O 3.43Å; V69-Q95 PolarHBondContact N-O 2.88Å; Q95-T97 VanDerWaalsContact C-N 3.34Å; Q95-T97 PolarHBondContact O-N 3.02Å; Q95-G130 CarbonylContact C-O 3.53Å; Q95-V131 HydrophobicContact CG-CG1 4.36Å; Q95-T169 PolarHBondContact NE2-OG1 2.85Å; Q95-T170 VanDerWaalsContact CG-O 3.29Å; Q95-T170 WeakPolarHBondContact CG-O 3.35Å; Q95-Y171 HydrophobicContact CB-CD2 4.31Å; Q95-Y171 HydrophobicContact CB-CG 4.36Å
96	E	98.3	Very high	96.5	Very high	29 Å²	29	41 Å²	41	14%	0.136	22%	0.223	C	C	.	.			trans	54.6	46.8	179.6	-143.9	179.6	150.6	0	0	113.2	N68 G71 K98 S129 G130 Y171	N68-E96 PolarHBondContact ND2-OE2 3.47Å; N68-E96 WeakPolarHBondContact OD1-CB 3.4Å; N68-E96 PolarHBondContact OD1-OE2 2.95Å; G71-E96 PolarHBondContact N-O 2.67Å; E96-K98 VanDerWaalsContact CG-CE 3.48Å; E96-K98 HydrophobicContact CG-CG 4.37Å; E96-K98 PolarHBondContact O-N 3.02Å; E96-K98 WeakPolarHBondContact OE1-CE 3.39Å; E96-K98 IonicContact OE1-NZ 2.73Å; E96-K98 PolarHBondContact OE1-NZ 2.79Å; E96-S129 CarbonylContact C-O 3.56Å; E96-G130 WeakPolarHBondContact CA-O 3.43Å; E96-G130 PolarHBondContact N-O 3.08Å; E96-Y171 HydrophobicContact CB-CE1 4.29Å; E96-Y171 HydrophobicContact CB-CE2 4.25Å; E96-Y171 HydrophobicContact CG-CE1 3.81Å; E96-Y171 HydrophobicContact CG-CE2 4.22Å; E96-Y171 PolarHBondContact OE2-OH 3.11Å
97	T	98.4	Very high	96.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.207	C	C	.	.			trans	-64.2	-28.9	-175.1	63.8	0	0	0	0	112.6	L72 L94 Q95 C99 W119 S129 G130	L72-T97 VanDerWaalsContact CB-O 3.28Å; L72-T97 WeakPolarHBondContact CB-O 3.47Å; L72-T97 PolarHBondContact N-O 3.05Å; L94-T97 HydrophobicContact CB-CG2 4.27Å; Q95-T97 VanDerWaalsContact C-N 3.34Å; Q95-T97 PolarHBondContact O-N 3.02Å; T97-C99 WeakPolarHBondContact O-CB 3.08Å; T97-C99 PolarHBondContact O-N 3.03Å; T97-C99 VanDerWaalsContact O-N 3.11Å; T97-W119 HydrophobicContact CG2-CE3 4.15Å; T97-W119 HydrophobicContact CG2-CZ3 3.78Å; T97-S129 PolarHBondContact N-O 3.39Å; T97-G130 PolarHBondContact N-O 3.01Å; T97-G130 WeakPolarHBondContact OG1-CA 3.35Å
98	K	97.2	Very high	96.2	Very high	55 Å²	55	36.5 Å²	36.5	24%	0.239	20%	0.203	C	C	.	.			trans	48.9	36.8	-176.2	-57.7	179.1	-168.2	176.8	0	111.4	D70 R73 E96 G127 S129	D70-K98 IonicContact OD1-NZ 2.65Å; D70-K98 PolarHBondContact OD1-NZ 3.39Å; R73-K98 PolarHBondContact NH2-O 3.18Å; E96-K98 VanDerWaalsContact CG-CE 3.48Å; E96-K98 HydrophobicContact CG-CG 4.37Å; E96-K98 PolarHBondContact O-N 3.02Å; E96-K98 WeakPolarHBondContact OE1-CE 3.39Å; E96-K98 IonicContact OE1-NZ 2.73Å; E96-K98 PolarHBondContact OE1-NZ 2.79Å; K98-G127 WeakPolarHBondContact CB-O 3.44Å; K98-G127 WeakPolarHBondContact CG-O 3.35Å; K98-S129 WeakPolarHBondContact CA-O 3.45Å; K98-S129 PolarHBondContact N-O 3Å
99	C	94.8	Very high	95.8	Very high	6 Å²	6	41 Å²	41	4%	0.041	21%	0.212	C	C	.	.			trans	-146.3	122.3	-172	-160.7	0	0	0	0	110.6	L72 T97 K103	L72-C99 HydrophobicContact CB-CB 4.32Å; L72-C99 HydrophobicContact CD2-CB 4.11Å; T97-C99 WeakPolarHBondContact O-CB 3.08Å; T97-C99 PolarHBondContact O-N 3.03Å; T97-C99 VanDerWaalsContact O-N 3.11Å; C99-K103 PolarHBondContact SG-O 2.55Å
100	S	91.4	Very high	95.3	Very high	25 Å²	25	46.3 Å²	46.3	18%	0.175	24%	0.236	C	C	.	.			trans	-74.2	157.1	168.4	53.4	0	0	0	0	110.7	N102 K103 L104	S100-N102 VanDerWaalsContact C-N 3.3Å; S100-N102 WeakPolarHBondContact CB-OD1 3.4Å; S100-N102 PolarHBondContact O-N 2.77Å; S100-N102 PolarHBondContact OG-OD1 2.82Å; S100-K103 PolarHBondContact O-N 2.96Å; S100-L104 PolarHBondContact O-N 2.85Å
101	E	89.3	Confident	95	Very high	123 Å²	123	45.8 Å²	45.8	58%	0.575	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-56.3	-41.1	-176.8	-73.6	-177.3	-129	0	0	113.4	K103 L104 W119	E101-K103 PolarHBondContact O-N 3.05Å; E101-K103 VanDerWaalsContact O-N 3.12Å; E101-L104 HydrophobicContact CB-CD1 4.43Å; E101-L104 WeakPolarHBondContact O-CB 3.43Å; E101-L104 WeakPolarHBondContact O-CD1 3.27Å; E101-L104 VanDerWaalsContact O-CG 3.31Å; E101-L104 WeakPolarHBondContact O-CG 3.31Å; E101-L104 PolarHBondContact O-N 2.78Å; E101-W119 HydrophobicContact CG-CB 3.75Å
102	N	89.1	Confident	94.4	Very high	128 Å²	128	51 Å²	51	68%	0.684	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-66.9	-10.1	177.8	65.8	-28.6	0	0	0	114.5	S100	S100-N102 VanDerWaalsContact C-N 3.3Å; S100-N102 WeakPolarHBondContact CB-OD1 3.4Å; S100-N102 PolarHBondContact O-N 2.77Å; S100-N102 PolarHBondContact OG-OD1 2.82Å
103	K	93.1	Very high	94.2	Very high	84 Å²	84	53 Å²	53	37%	0.365	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-116.2	10.5	-178.8	-69.5	174.1	-179.9	157.6	0	112.3	C99 S100 E101 E126	C99-K103 PolarHBondContact SG-O 2.55Å; S100-K103 PolarHBondContact O-N 2.96Å; E101-K103 PolarHBondContact O-N 3.05Å; E101-K103 VanDerWaalsContact O-N 3.12Å; K103-E126 IonicContact NZ-OE1 2.78Å; K103-E126 PolarHBondContact NZ-OE1 3.48Å; K103-E126 IonicContact NZ-OE2 2.74Å; K103-E126 PolarHBondContact NZ-OE2 3.04Å
104	L	95.6	Very high	94.1	Very high	46 Å²	46	53.4 Å²	53.4	24%	0.241	29%	0.29	C	S	.	.			trans	-60.7	130	176.8	-70.9	170.5	0	0	0	110.5	L72 S100 E101 L108 W119	L72-L104 HydrophobicContact CD2-CD2 3.59Å; S100-L104 PolarHBondContact O-N 2.85Å; E101-L104 HydrophobicContact CB-CD1 4.43Å; E101-L104 WeakPolarHBondContact O-CB 3.43Å; E101-L104 WeakPolarHBondContact O-CD1 3.27Å; E101-L104 VanDerWaalsContact O-CG 3.31Å; E101-L104 WeakPolarHBondContact O-CG 3.31Å; E101-L104 PolarHBondContact O-N 2.78Å; L104-L108 HydrophobicContact CB-CD1 4.22Å; L104-L108 HydrophobicContact CD2-CD1 3.96Å; L104-W119 VanDerWaalsContact CD1-CD1 3.44Å; L104-W119 HydrophobicContact CD1-CD2 3.95Å; L104-W119 HydrophobicContact CD1-CG 3.78Å; L104-W119 HydrophobicContact CD1-CZ2 4.49Å; L104-W119 HydrophobicContact CD2-CD2 3.71Å; L104-W119 HydrophobicContact CD2-CE3 3.85Å; L104-W119 HydrophobicContact CD2-CG 4.3Å; L104-W119 HydrophobicContact CD2-CH2 4.04Å; L104-W119 HydrophobicContact CD2-CZ2 3.92Å; L104-W119 HydrophobicContact CD2-CZ3 4.01Å; L104-W119 HydrophobicContact CG-CD2 4.49Å
105	P	95.7	Very high	94	Very high	22 Å²	22	56.7 Å²	56.7	14%	0.143	31%	0.313	C	S	.	.			trans	-64.6	144.3	177.7	-28.1	40.8	0	0	0	112.8	R73 I76 E107 L108	R73-P105 HydrophobicContact CG-CG 3.56Å; I76-P105 HydrophobicContact CD1-CB 3.71Å; I76-P105 HydrophobicContact CD1-CG 3.77Å; P105-E107 WeakPolarHBondContact CB-OE2 3.36Å; P105-E107 PolarHBondContact O-N 3.37Å; P105-L108 WeakPolarHBondContact O-CB 3.14Å; P105-L108 PolarHBondContact O-N 2.75Å
106	A	95.9	Very high	94	Very high	60 Å²	60	59.5 Å²	59.5	50%	0.496	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-63.7	-27.9	-176.5	0	0	0	0	0	112.5	L108 Q109	A106-L108 PolarHBondContact O-N 2.8Å; A106-Q109 VanDerWaalsContact O-CB 3.29Å; A106-Q109 WeakPolarHBondContact O-CB 3.44Å; A106-Q109 PolarHBondContact O-N 2.75Å
107	E	96	Very high	94	Very high	83 Å²	83	60.5 Å²	60.5	39%	0.388	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-58.1	-22.5	178.2	-59.7	93.9	140.6	0	0	112.9	I76 L81 P105 Q109 E110	I76-E107 HydrophobicContact CG2-CB 4.4Å; I76-E107 HydrophobicContact CG2-CG 4.35Å; L81-E107 HydrophobicContact CD1-CB 3.63Å; P105-E107 WeakPolarHBondContact CB-OE2 3.36Å; P105-E107 PolarHBondContact O-N 3.37Å; E107-Q109 VanDerWaalsContact C-N 3.27Å; E107-Q109 PolarHBondContact O-N 2.82Å; E107-E110 WeakPolarHBondContact O-CB 3.39Å; E107-E110 PolarHBondContact O-N 2.94Å
108	L	94.5	Very high	94	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.016	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-68.4	-28.3	174.6	-67.8	163	0	0	0	112.2	L72 I76 L81 L104 P105 A106 E110 Q117 W119 L134	L72-L108 HydrophobicContact CD1-CD2 4.44Å; L72-L108 HydrophobicContact CD2-CD1 3.84Å; L72-L108 HydrophobicContact CG-CD1 4.42Å; I76-L108 HydrophobicContact CD1-CD1 4.44Å; I76-L108 HydrophobicContact CD1-CD2 4.35Å; I76-L108 HydrophobicContact CD1-CG 4.14Å; L81-L108 HydrophobicContact CD2-CD2 4.12Å; L104-L108 HydrophobicContact CB-CD1 4.22Å; L104-L108 HydrophobicContact CD2-CD1 3.96Å; P105-L108 WeakPolarHBondContact O-CB 3.14Å; P105-L108 PolarHBondContact O-N 2.75Å; A106-L108 PolarHBondContact O-N 2.8Å; L108-E110 PolarHBondContact O-N 2.7Å; L108-Q117 PolarHBondContact O-NE2 2.86Å; L108-W119 HydrophobicContact CD1-CH2 3.92Å; L108-W119 HydrophobicContact CD1-CZ2 3.79Å; L108-W119 HydrophobicContact CD2-CH2 4.23Å; L108-W119 HydrophobicContact CD2-CZ2 4.28Å; L108-L134 HydrophobicContact CD2-CD2 4.38Å
109	Q	90.8	Very high	94.1	Very high	164 Å²	164	60.8 Å²	60.8	77%	0.766	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-72.4	-18.1	175.7	-56.8	177.6	-1.5	0	0	111.7	A106 E107 L111	A106-Q109 VanDerWaalsContact O-CB 3.29Å; A106-Q109 WeakPolarHBondContact O-CB 3.44Å; A106-Q109 PolarHBondContact O-N 2.75Å; E107-Q109 VanDerWaalsContact C-N 3.27Å; E107-Q109 PolarHBondContact O-N 2.82Å; Q109-L111 PolarHBondContact O-N 2.77Å
110	E	88.8	Confident	94.2	Very high	120 Å²	120	61.3 Å²	61.3	56%	0.561	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-85.8	16.5	179.2	-54.6	-179.6	-176.3	0	0	113.3	E107 L108 P112	E107-E110 WeakPolarHBondContact O-CB 3.39Å; E107-E110 PolarHBondContact O-N 2.94Å; L108-E110 PolarHBondContact O-N 2.7Å; E110-P112 WeakPolarHBondContact O-CD 3.48Å
111	L	92.5	Very high	94.4	Very high	10 Å²	10	61.7 Å²	61.7	5%	0.052	34%	0.339	C	S	.	.			trans	-104.7	75.3	173.6	-65	177.9	0	0	0	110.6	L81 K85 Q109 G113 L114 S115 L134	L81-L111 HydrophobicContact CD2-CD1 3.7Å; L81-L111 HydrophobicContact CD2-CD2 4.27Å; L81-L111 HydrophobicContact CD2-CG 4.26Å; K85-L111 HydrophobicContact CG-CD2 3.99Å; Q109-L111 PolarHBondContact O-N 2.77Å; L111-G113 PolarHBondContact O-N 3.31Å; L111-G113 VanDerWaalsContact O-N 3.16Å; L111-L114 HydrophobicContact CB-CB 4.16Å; L111-L114 HydrophobicContact CD1-CD1 4.32Å; L111-L114 CarbonylContact O-C 3.27Å; L111-L114 VanDerWaalsContact O-C 3.27Å; L111-L114 PolarHBondContact O-N 2.98Å; L111-S115 PolarHBondContact O-N 3.01Å; L111-L134 HydrophobicContact CD1-CD2 3.98Å
112	P	86.4	Confident	94.5	Very high	113 Å²	113	56.7 Å²	56.7	73%	0.734	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.6	-175.6	25.7	-35.3	0	0	0	113.1	E110 L114	E110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-L114 VanDerWaalsContact C-N 3.26Å; P112-L114 PolarHBondContact O-N 3.42Å
113	G	93	Very high	94	Very high	42 Å²	42	54.8 Å²	54.8	43%	0.433	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-75.4	-8.1	174.3	0	0	0	0	0	114.8	L111 R136	L111-G113 PolarHBondContact O-N 3.31Å; L111-G113 VanDerWaalsContact O-N 3.16Å; G113-R136 WeakPolarHBondContact O-CA 3.44Å; G113-R136 WeakPolarHBondContact O-CB 3.49Å; G113-R136 WeakPolarHBondContact O-CG 3.29Å
114	L	98.1	Very high	93.5	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.037	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-135.8	50.8	-179.6	-67.4	173	0	0	0	109.8	V84 P89 L92 L111 P112 Q117 L134 S135	V84-L114 HydrophobicContact CG1-CD1 3.95Å; P89-L114 HydrophobicContact CG-CD1 4.28Å; P89-L114 WeakPolarHBondContact O-CD2 3.47Å; L92-L114 HydrophobicContact CB-CD1 3.88Å; L92-L114 HydrophobicContact CB-CD2 4.46Å; L92-L114 HydrophobicContact CD2-CD1 4.1Å; L111-L114 HydrophobicContact CB-CB 4.16Å; L111-L114 HydrophobicContact CD1-CD1 4.32Å; L111-L114 CarbonylContact O-C 3.27Å; L111-L114 VanDerWaalsContact O-C 3.27Å; L111-L114 PolarHBondContact O-N 2.98Å; P112-L114 VanDerWaalsContact C-N 3.26Å; P112-L114 PolarHBondContact O-N 3.42Å; L114-Q117 WeakPolarHBondContact O-CG 3.48Å; L114-Q117 PolarHBondContact O-NE2 2.68Å; L114-Q117 VanDerWaalsContact O-NE2 3.13Å; L114-L134 HydrophobicContact CB-CB 3.97Å; L114-S135 CarbonylContact C-O 3.57Å
115	S	97.3	Very high	93	Very high	69 Å²	69	58.4 Å²	58.4	48%	0.483	33%	0.332	S	S	.	.			trans	-77.2	-23.8	-169.6	57.3	0	0	0	0	114.4	L111 Q117 S135	L111-S115 PolarHBondContact O-N 3.01Å; S115-Q117 PolarHBondContact O-N 2.97Å; S115-S135 PolarHBondContact N-O 2.87Å
116	H	98.4	Very high	92.4	Very high	59 Å²	59	63.8 Å²	63.8	27%	0.273	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	100.9	177.4	-60.8	-80	0	0	0	109.7	Y118 L134 S135 C138	H116-Y118 HydrophobicContact CB-CE2 3.99Å; H116-L134 CarbonylContact O-C 3.52Å; H116-L134 VanDerWaalsContact O-CA 3.29Å; H116-L134 WeakPolarHBondContact O-CA 3.31Å; H116-S135 WeakPolarHBondContact CB-O 3.41Å; H116-S135 PolarHBondContact N-O 3.4Å; H116-S135 VanDerWaalsContact N-O 3.07Å; H116-S135 PolarHBondContact O-N 3.5Å; H116-C138 PolarHBondContact CD2-N 3.14Å; H116-C138 PolarHBondContact NE2-N 3.33Å
117	Q	98.4	Very high	92	Very high	51 Å²	51	63 Å²	63	24%	0.238	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.4	-171.4	-51.7	-174.8	8.1	0	0	111.5	L108 L114 S115 L133 L134	L108-Q117 PolarHBondContact O-NE2 2.86Å; L114-Q117 WeakPolarHBondContact O-CG 3.48Å; L114-Q117 PolarHBondContact O-NE2 2.68Å; L114-Q117 VanDerWaalsContact O-NE2 3.13Å; S115-Q117 PolarHBondContact O-N 2.97Å; Q117-L133 WeakPolarHBondContact CA-O 3.37Å; Q117-L134 HydrophobicContact CB-CG 4.21Å; Q117-L134 HydrophobicContact CG-CB 4.2Å; Q117-L134 HydrophobicContact CG-CD2 3.83Å; Q117-L134 HydrophobicContact CG-CG 3.8Å
118	Y	98.5	Very high	91.7	Very high	47 Å²	47	62.4 Å²	62.4	18%	0.184	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.9	-178.7	-53.5	-85.7	0	0	0	108.5	H116 G132 L133 P139 V142 I158	H116-Y118 HydrophobicContact CB-CE2 3.99Å; Y118-G132 CarbonylContact O-C 3.51Å; Y118-G132 WeakPolarHBondContact O-CA 3.49Å; Y118-L133 HydrophobicContact CD2-CD2 4.01Å; Y118-L133 PolarHBondContact N-O 2.94Å; Y118-L133 PolarHBondContact O-N 3.27Å; Y118-P139 HydrophobicContact CE2-CG 3.79Å; Y118-P139 WeakPolarHBondContact OH-CD 3.47Å; Y118-V142 HydrophobicContact CD1-CB 3.96Å; Y118-V142 HydrophobicContact CD1-CG1 3.81Å; Y118-V142 HydrophobicContact CD1-CG2 3.8Å; Y118-V142 HydrophobicContact CD2-CG2 4.07Å; Y118-V142 HydrophobicContact CE1-CB 4.05Å; Y118-V142 HydrophobicContact CE1-CG1 4.41Å; Y118-V142 HydrophobicContact CE1-CG2 3.6Å; Y118-V142 HydrophobicContact CE2-CG2 3.89Å; Y118-V142 HydrophobicContact CG-CB 4.41Å; Y118-V142 HydrophobicContact CG-CG1 3.94Å; Y118-V142 HydrophobicContact CG-CG2 4.03Å; Y118-I158 WeakPolarHBondContact O-CD1 3.1Å
119	W	98.3	Very high	91.7	Very high	15 Å²	15	62.3 Å²	62.3	6%	0.057	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.3	-174	-59.9	92.5	0	0	0	109.5	L72 L94 T97 E101 L104 L108 L134 Y144	L72-W119 HydrophobicContact CD1-CH2 4.19Å; L72-W119 HydrophobicContact CD1-CZ3 4.42Å; L72-W119 HydrophobicContact CD2-CH2 3.73Å; L72-W119 HydrophobicContact CD2-CZ3 3.66Å; L94-W119 HydrophobicContact CD1-CH2 4.03Å; L94-W119 HydrophobicContact CD1-CZ3 4.33Å; T97-W119 HydrophobicContact CG2-CE3 4.15Å; T97-W119 HydrophobicContact CG2-CZ3 3.78Å; E101-W119 HydrophobicContact CG-CB 3.75Å; L104-W119 VanDerWaalsContact CD1-CD1 3.44Å; L104-W119 HydrophobicContact CD1-CD2 3.95Å; L104-W119 HydrophobicContact CD1-CG 3.78Å; L104-W119 HydrophobicContact CD1-CZ2 4.49Å; L104-W119 HydrophobicContact CD2-CD2 3.71Å; L104-W119 HydrophobicContact CD2-CE3 3.85Å; L104-W119 HydrophobicContact CD2-CG 4.3Å; L104-W119 HydrophobicContact CD2-CH2 4.04Å; L104-W119 HydrophobicContact CD2-CZ2 3.92Å; L104-W119 HydrophobicContact CD2-CZ3 4.01Å; L104-W119 HydrophobicContact CG-CD2 4.49Å; L108-W119 HydrophobicContact CD1-CH2 3.92Å; L108-W119 HydrophobicContact CD1-CZ2 3.79Å; L108-W119 HydrophobicContact CD2-CH2 4.23Å; L108-W119 HydrophobicContact CD2-CZ2 4.28Å; W119-L134 HydrophobicContact CH2-CD1 4.06Å; W119-L134 HydrophobicContact CZ2-CD1 4.06Å; W119-L134 HydrophobicContact CZ2-CD2 4.39Å; W119-L134 HydrophobicContact CZ2-CG 4.35Å; W119-Y144 WeakPolarHBondContact O-CE1 3.15Å
120	S	97.8	Very high	92	Very high	17 Å²	17	54.5 Å²	54.5	12%	0.119	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	127.9	172.6	-171.6	0	0	0	0	107.8	G130 V131 G155	S120-G130 CarbonylContact O-C 3.55Å; S120-G130 WeakPolarHBondContact O-CA 3.37Å; S120-V131 PolarHBondContact N-O 2.8Å; S120-V131 PolarHBondContact O-N 2.7Å; S120-G155 WeakPolarHBondContact OG-CA 3.39Å
121	A	95.8	Very high	92.5	Very high	32 Å²	32	48.8 Å²	48.8	26%	0.264	29%	0.285	S	S	.	.			trans	-130.4	158.3	179.3	0	0	0	0	0	109.3
122	P	91.1	Very high	92.8	Very high	19 Å²	19	48.3 Å²	48.3	12%	0.123	28%	0.282	C	S	.	.			trans	-57.8	142.9	174	-21.3	30.6	0	0	0	112.2	K125 Y128 Q153	P122-K125 HydrophobicContact CB-CB 4.13Å; P122-Y128 WeakPolarHBondContact CD-O 3.47Å; P122-Y128 HydrophobicContact CG-CD1 3.91Å; P122-Y128 WeakPolarHBondContact CG-O 3.48Å; P122-Q153 VanDerWaalsContact CA-O 3.24Å; P122-Q153 WeakPolarHBondContact CA-O 3.38Å
123	S	78.3	Confident	93.4	Very high	88 Å²	88	43 Å²	43	62%	0.615	25%	0.247	S	C	*	.	S	Bend	trans	-71.3	-32.5	178.5	52.7	0	0	0	0	112.7	Q153	S123-Q153 PolarHBondContact N-O 2.68Å; S123-Q153 PolarHBondContact OG-OE1 2.9Å
124	D	81.9	Confident	93.7	Very high	107 Å²	107	41 Å²	41	57%	0.572	23%	0.226	S	C	*	.	S	Bend	trans	-120.8	-9	-167.3	69.7	-19.5	0	0	0	114.8
125	K	84.8	Confident	93.7	Very high	98 Å²	98	40.7 Å²	40.7	43%	0.426	23%	0.225	S	C	.	.			trans	-128.8	89.4	-174.2	-72.4	170.8	-164.6	164.6	0	111.8	P122 Y128	P122-K125 HydrophobicContact CB-CB 4.13Å; K125-Y128 HydrophobicContact CB-CD1 4.14Å; K125-Y128 HydrophobicContact CD-CD1 4.21Å; K125-Y128 HydrophobicContact CD-CE1 4.48Å
126	E	83.7	Confident	93.8	Very high	136 Å²	136	42.9 Å²	42.9	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	142.6	172.9	-71.5	-153.6	143.7	0	0	112	K103 Y128	K103-E126 IonicContact NZ-OE1 2.78Å; K103-E126 PolarHBondContact NZ-OE1 3.48Å; K103-E126 IonicContact NZ-OE2 2.74Å; K103-E126 PolarHBondContact NZ-OE2 3.04Å; E126-Y128 PolarHBondContact O-N 3.48Å
127	G	87.1	Confident	93.7	Very high	42 Å²	42	44.8 Å²	44.8	43%	0.433	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	11.6	174	0	0	0	0	0	115.2	K98	K98-G127 WeakPolarHBondContact CB-O 3.44Å; K98-G127 WeakPolarHBondContact CG-O 3.35Å
128	Y	89.8	Confident	93.7	Very high	71 Å²	71	46 Å²	46	28%	0.278	25%	0.245	S	C	.	.	S	Bend	trans	-119.1	149.7	177.4	170	-104.5	0	0	0	110.4	P122 K125 E126 E154 R156 R181	P122-Y128 WeakPolarHBondContact CD-O 3.47Å; P122-Y128 HydrophobicContact CG-CD1 3.91Å; P122-Y128 WeakPolarHBondContact CG-O 3.48Å; K125-Y128 HydrophobicContact CB-CD1 4.14Å; K125-Y128 HydrophobicContact CD-CD1 4.21Å; K125-Y128 HydrophobicContact CD-CE1 4.48Å; E126-Y128 PolarHBondContact O-N 3.48Å; Y128-E154 HydrophobicContact CE1-CB 4.41Å; Y128-E154 HydrophobicContact CE1-CG 4.18Å; Y128-E154 WeakPolarHBondContact CE1-OE1 3.29Å; Y128-E154 PolarHBondContact OH-OE1 2.66Å; Y128-R156 PolarHBondContact OH-NH2 2.74Å; Y128-R181 PolarHBondContact OH-NH1 2.65Å
129	S	94.6	Very high	93.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	24%	0.239	C	C	.	.			trans	51	-142.7	175.4	-169.4	0	0	0	0	112.7	E96 T97 K98 E154 Y171	E96-S129 CarbonylContact C-O 3.56Å; T97-S129 PolarHBondContact N-O 3.39Å; K98-S129 WeakPolarHBondContact CA-O 3.45Å; K98-S129 PolarHBondContact N-O 3Å; S129-E154 WeakPolarHBondContact CB-O 3.18Å; S129-E154 PolarHBondContact OG-O 2.91Å; S129-Y171 WeakPolarHBondContact OG-CD1 3.4Å
130	G	98	Very high	93.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.01	26%	0.262	C	S	.	.			trans	95	140.5	175.7	0	0	0	0	0	112.8	Q95 E96 T97 S120 G155	Q95-G130 CarbonylContact C-O 3.53Å; E96-G130 WeakPolarHBondContact CA-O 3.43Å; E96-G130 PolarHBondContact N-O 3.08Å; T97-G130 PolarHBondContact N-O 3.01Å; T97-G130 WeakPolarHBondContact OG1-CA 3.35Å; S120-G130 CarbonylContact O-C 3.55Å; S120-G130 WeakPolarHBondContact O-CA 3.37Å; G130-G155 CarbonylContact C-O 3.51Å; G130-G155 WeakPolarHBondContact CA-O 3.5Å
131	V	98.8	Very high	93.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.5	177.6	-64.5	0	0	0	0	110.7	L94 Q95 S120 G155 I158	L94-V131 CarbonylContact O-C 3.56Å; L94-V131 VanDerWaalsContact O-CA 3.24Å; L94-V131 WeakPolarHBondContact O-CA 3.46Å; Q95-V131 HydrophobicContact CG-CG1 4.36Å; S120-V131 PolarHBondContact N-O 2.8Å; S120-V131 PolarHBondContact O-N 2.7Å; V131-G155 PolarHBondContact N-O 3.25Å; V131-I158 HydrophobicContact CB-CD1 4.38Å; V131-I158 HydrophobicContact CG2-CD1 3.72Å; V131-I158 HydrophobicContact CG2-CG1 3.7Å
132	G	98.8	Very high	93.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.5	174.9	0	0	0	0	0	111.4	C93 L94 Y118	C93-G132 WeakPolarHBondContact CA-O 3.29Å; L94-G132 PolarHBondContact N-O 2.9Å; L94-G132 PolarHBondContact O-N 3.49Å; Y118-G132 CarbonylContact O-C 3.51Å; Y118-G132 WeakPolarHBondContact O-CA 3.49Å
133	L	98.9	Very high	94.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	118.7	170.3	-172.6	155.3	0	0	0	108	I91 L92 Q117 Y118 I158 A160 L167 T169	I91-L133 HydrophobicContact CG2-CD2 4.29Å; I91-L133 HydrophobicContact CG2-CG 4.3Å; L92-L133 WeakPolarHBondContact O-CA 3.36Å; Q117-L133 WeakPolarHBondContact CA-O 3.37Å; Y118-L133 HydrophobicContact CD2-CD2 4.01Å; Y118-L133 PolarHBondContact N-O 2.94Å; Y118-L133 PolarHBondContact O-N 3.27Å; L133-I158 HydrophobicContact CB-CD1 4.09Å; L133-I158 HydrophobicContact CB-CG2 3.98Å; L133-I158 HydrophobicContact CD1-CG2 3.95Å; L133-A160 HydrophobicContact CD1-CB 3.63Å; L133-A160 HydrophobicContact CD2-CB 4.29Å; L133-L167 HydrophobicContact CD1-CD2 3.99Å; L133-L167 HydrophobicContact CD1-CG 4.38Å; L133-T169 HydrophobicContact CB-CG2 4.32Å; L133-T169 HydrophobicContact CD1-CG2 4.17Å
134	L	98.8	Very high	95.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.8	176	-54.5	79.2	0	0	0	108.3	I91 L92 L94 L108 L111 L114 H116 Q117 W119	I91-L134 CarbonylContact C-O 3.49Å; I91-L134 WeakPolarHBondContact CA-O 3.44Å; L92-L134 HydrophobicContact CB-CB 4.35Å; L92-L134 HydrophobicContact CD2-CD1 4.29Å; L92-L134 HydrophobicContact CG-CD1 4.47Å; L92-L134 PolarHBondContact N-O 3.29Å; L92-L134 PolarHBondContact O-N 3.46Å; L94-L134 HydrophobicContact CD1-CD1 4Å; L94-L134 HydrophobicContact CG-CD1 4.25Å; L108-L134 HydrophobicContact CD2-CD2 4.38Å; L111-L134 HydrophobicContact CD1-CD2 3.98Å; L114-L134 HydrophobicContact CB-CB 3.97Å; H116-L134 CarbonylContact O-C 3.52Å; H116-L134 VanDerWaalsContact O-CA 3.29Å; H116-L134 WeakPolarHBondContact O-CA 3.31Å; Q117-L134 HydrophobicContact CB-CG 4.21Å; Q117-L134 HydrophobicContact CG-CB 4.2Å; Q117-L134 HydrophobicContact CG-CD2 3.83Å; Q117-L134 HydrophobicContact CG-CG 3.8Å; W119-L134 HydrophobicContact CH2-CD1 4.06Å; W119-L134 HydrophobicContact CZ2-CD1 4.06Å; W119-L134 HydrophobicContact CZ2-CD2 4.39Å; W119-L134 HydrophobicContact CZ2-CG 4.35Å
135	S	98.8	Very high	96	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.7	-173.9	-177.7	0	0	0	0	111.7	L114 S115 H116 H137	L114-S135 CarbonylContact C-O 3.57Å; S115-S135 PolarHBondContact N-O 2.87Å; H116-S135 WeakPolarHBondContact CB-O 3.41Å; H116-S135 PolarHBondContact N-O 3.4Å; H116-S135 VanDerWaalsContact N-O 3.07Å; H116-S135 PolarHBondContact O-N 3.5Å; S135-H137 WeakPolarHBondContact CB-O 3.37Å; S135-H137 PolarHBondContact OG-N 3.34Å; S135-H137 PolarHBondContact OG-O 3.48Å
136	R	98.4	Very high	96.7	Very high	116 Å²	116	47.3 Å²	47.3	44%	0.438	24%	0.24	S	C	.	.	S	Bend	trans	-68	-39.5	170.7	-175.2	165.6	68.6	115.4	-5	111.9	D90 G113	D90-R136 WeakPolarHBondContact O-CB 3.24Å; D90-R136 PolarHBondContact O-N 3.32Å; D90-R136 IonicContact OD1-CZ 2.98Å; D90-R136 IonicContact OD1-NE 3.78Å; D90-R136 PolarHBondContact OD1-NE 3.13Å; D90-R136 IonicContact OD1-NH2 3.75Å; D90-R136 PolarHBondContact OD1-NH2 3.02Å; G113-R136 WeakPolarHBondContact O-CA 3.44Å; G113-R136 WeakPolarHBondContact O-CB 3.49Å; G113-R136 WeakPolarHBondContact O-CG 3.29Å
137	H	96.9	Very high	97.3	Very high	98 Å²	98	44.1 Å²	44.1	45%	0.454	24%	0.244	S	C	.	.	S	Bend	trans	-108.8	143	-179.1	-59.2	-65.2	0	0	0	110.3	S135 P139	S135-H137 WeakPolarHBondContact CB-O 3.37Å; S135-H137 PolarHBondContact OG-N 3.34Å; S135-H137 PolarHBondContact OG-O 3.48Å; H137-P139 VanDerWaalsContact O-CD 3.31Å; H137-P139 WeakPolarHBondContact O-CD 3.33Å
138	C	98.3	Very high	97.8	Very high	77 Å²	77	46.3 Å²	46.3	52%	0.52	24%	0.243	S	C	.	.			trans	-64.5	121.1	176.5	-164	0	0	0	0	110.2	H116	H116-C138 PolarHBondContact CD2-N 3.14Å; H116-C138 PolarHBondContact NE2-N 3.33Å
139	P	98.6	Very high	98.1	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.058	26%	0.262	C	S	.	.			trans	-61.3	147.7	169.2	-17.6	30.9	0	0	0	111	Y118 H137 K141 V142 A160 E161 F162	Y118-P139 HydrophobicContact CE2-CG 3.79Å; Y118-P139 WeakPolarHBondContact OH-CD 3.47Å; H137-P139 VanDerWaalsContact O-CD 3.31Å; H137-P139 WeakPolarHBondContact O-CD 3.33Å; P139-K141 VanDerWaalsContact C-N 3.25Å; P139-K141 PolarHBondContact O-N 3.01Å; P139-V142 HydrophobicContact CB-CG2 3.81Å; P139-V142 HydrophobicContact CG-CG2 3.86Å; P139-A160 HydrophobicContact CB-CB 4.06Å; P139-A160 HydrophobicContact CG-CB 4.11Å; P139-E161 CarbonylContact C-O 3.59Å; P139-F162 HydrophobicContact CB-CE1 4.08Å; P139-F162 HydrophobicContact CB-CZ 4.12Å; P139-F162 HydrophobicContact CG-CE1 3.92Å; P139-F162 HydrophobicContact CG-CZ 3.78Å
140	L	98.7	Very high	98.1	Very high	102 Å²	102	54.7 Å²	54.7	53%	0.534	28%	0.284	S	S	.	.	S	Bend	trans	-62.5	-36.5	174.7	-60.5	178.8	0	0	0	111.7	E161	L140-E161 HydrophobicContact CB-CG 4.5Å; L140-E161 WeakPolarHBondContact CB-O 3.27Å; L140-E161 HydrophobicContact CD1-CG 4.49Å; L140-E161 PolarHBondContact N-O 2.85Å
141	K	98.7	Very high	98.1	Very high	130 Å²	130	55 Å²	55	57%	0.565	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153	141.3	179.3	-172.1	178.3	178.5	-179.3	0	109.8	P139 A160 E161	P139-K141 VanDerWaalsContact C-N 3.25Å; P139-K141 PolarHBondContact O-N 3.01Å; K141-A160 WeakPolarHBondContact O-CA 3.47Å; K141-E161 HydrophobicContact CB-CB 4.15Å; K141-E161 PolarHBondContact O-N 2.87Å
142	V	98.9	Very high	98	Very high	34 Å²	34	57.3 Å²	57.3	21%	0.206	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137	169.1	-178.1	0	0	0	0	109.4	Y118 P139 Y144 I158 V159 A160	Y118-V142 HydrophobicContact CD1-CB 3.96Å; Y118-V142 HydrophobicContact CD1-CG1 3.81Å; Y118-V142 HydrophobicContact CD1-CG2 3.8Å; Y118-V142 HydrophobicContact CD2-CG2 4.07Å; Y118-V142 HydrophobicContact CE1-CB 4.05Å; Y118-V142 HydrophobicContact CE1-CG1 4.41Å; Y118-V142 HydrophobicContact CE1-CG2 3.6Å; Y118-V142 HydrophobicContact CE2-CG2 3.89Å; Y118-V142 HydrophobicContact CG-CB 4.41Å; Y118-V142 HydrophobicContact CG-CG1 3.94Å; Y118-V142 HydrophobicContact CG-CG2 4.03Å; P139-V142 HydrophobicContact CB-CG2 3.81Å; P139-V142 HydrophobicContact CG-CG2 3.86Å; V142-Y144 HydrophobicContact CG1-CE1 4.29Å; V142-I158 HydrophobicContact CG1-CG2 3.86Å; V142-V159 CarbonylContact C-O 3.4Å; V142-V159 VanDerWaalsContact CA-O 3.27Å; V142-V159 WeakPolarHBondContact CA-O 3.45Å; V142-A160 HydrophobicContact CG2-CB 4.32Å
143	S	98.8	Very high	97.8	Very high	46 Å²	46	60.2 Å²	60.2	32%	0.322	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158	171.9	55	0	0	0	0	111	V159	S143-V159 PolarHBondContact N-O 3.34Å; S143-V159 PolarHBondContact O-N 2.89Å
144	Y	98.6	Very high	97.7	Very high	111 Å²	111	60.7 Å²	60.7	44%	0.435	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.5	-176	-54.4	-77.2	0	0	0	110.2	W119 V142 I158	W119-Y144 WeakPolarHBondContact O-CE1 3.15Å; V142-Y144 HydrophobicContact CG1-CE1 4.29Å; Y144-I158 HydrophobicContact CD1-CG1 3.77Å; Y144-I158 HydrophobicContact CE1-CD1 4.35Å; Y144-I158 HydrophobicContact CE1-CG1 3.88Å
145	G	98.4	Very high	97.6	Very high	9 Å²	9	60.8 Å²	60.8	9%	0.093	32%	0.315	C	S	.	.	S	Bend	trans	73.4	-170.3	-179.5	0	0	0	0	0	113.9	D152 V157	G145-D152 VanDerWaalsContact CA-CG 3.49Å; G145-D152 WeakPolarHBondContact CA-OD1 3.13Å; G145-V157 PolarHBondContact N-O 2.79Å
146	I	98.4	Very high	97.6	Very high	10 Å²	10	61.1 Å²	61.1	5%	0.051	32%	0.316	C	S	.	.			trans	-118.5	0.3	-176	69.2	172	0	0	0	112.4	E148 H151 D152 V157 W188 A191 F192 F195	I146-E148 HydrophobicContact CG1-CB 4.21Å; I146-E148 HydrophobicContact CG1-CG 4.5Å; I146-H151 HydrophobicContact CD1-CB 3.69Å; I146-H151 HydrophobicContact CG1-CB 3.98Å; I146-D152 VanDerWaalsContact N-CG 3.35Å; I146-D152 PolarHBondContact N-OD1 2.83Å; I146-D152 PolarHBondContact N-OD2 3.34Å; I146-V157 HydrophobicContact CG2-CB 4.19Å; I146-V157 HydrophobicContact CG2-CG1 4.2Å; I146-V157 HydrophobicContact CG2-CG2 3.74Å; I146-W188 HydrophobicContact CD1-CH2 4.5Å; I146-A191 HydrophobicContact CD1-CB 3.96Å; I146-F192 HydrophobicContact CG2-CD2 3.77Å; I146-F192 HydrophobicContact CG2-CE2 4.16Å; I146-F195 HydrophobicContact CB-CB 4.13Å; I146-F195 HydrophobicContact CB-CD1 3.91Å; I146-F195 HydrophobicContact CB-CD2 4.09Å; I146-F195 HydrophobicContact CB-CE1 4.26Å; I146-F195 HydrophobicContact CB-CE2 4.43Å; I146-F195 HydrophobicContact CB-CG 3.78Å; I146-F195 HydrophobicContact CB-CZ 4.49Å; I146-F195 HydrophobicContact CG2-CD1 3.78Å; I146-F195 HydrophobicContact CG2-CE1 3.96Å; I146-F195 HydrophobicContact CG2-CG 4.19Å; I146-F195 WeakPolarHBondContact O-CD2 3.38Å
147	G	97.7	Very high	97.6	Very high	69 Å²	69	55.6 Å²	55.6	71%	0.711	30%	0.295	S	S	*	.	S	Bend	trans	86.1	21.8	178.6	0	0	0	0	0	114	D152	G147-D152 WeakPolarHBondContact CA-OD2 3.28Å; G147-D152 PolarHBondContact N-OD2 2.82Å
148	E	96.3	Very high	97.7	Very high	88 Å²	88	51 Å²	51	41%	0.411	27%	0.274	S	S	.	.			trans	-131.2	114.7	-179.4	-66.9	-81.5	-175.2	0	0	108.4	I146 E150 H151 D152	I146-E148 HydrophobicContact CG1-CB 4.21Å; I146-E148 HydrophobicContact CG1-CG 4.5Å; E148-E150 VanDerWaalsContact C-N 3.27Å; E148-E150 PolarHBondContact O-N 2.82Å; E148-H151 HydrophobicContact CB-CB 4.27Å; E148-H151 WeakPolarHBondContact O-CA 3.04Å; E148-H151 WeakPolarHBondContact O-CB 3.31Å; E148-H151 PolarHBondContact O-N 2.81Å; E148-D152 PolarHBondContact N-OD2 3.48Å; E148-D152 VanDerWaalsContact N-OD2 3.12Å; E148-D152 PolarHBondContact O-N 2.83Å
149	E	95.9	Very high	97.8	Very high	145 Å²	145	47.6 Å²	47.6	68%	0.678	25%	0.251	S	S	*	.	H	α-helix	trans	-57	-37.2	-171.3	-172.2	68.7	-162.7	0	0	113	H151 D152 Q153	E149-H151 PolarHBondContact O-N 2.75Å; E149-H151 VanDerWaalsContact O-N 3.13Å; E149-D152 PolarHBondContact O-N 3.4Å; E149-Q153 WeakPolarHBondContact O-CG 3.23Å; E149-Q153 PolarHBondContact O-NE2 2.79Å; E149-Q153 PolarHBondContact OE1-NE2 2.81Å
150	E	95.9	Very high	97.8	Very high	102 Å²	102	47.2 Å²	47.2	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-55.9	-29.3	175.7	-179.5	179.4	169.2	0	0	111.9	E148 Y184 R187	E148-E150 VanDerWaalsContact C-N 3.27Å; E148-E150 PolarHBondContact O-N 2.82Å; E150-Y184 HydrophobicContact CG-CE2 4.34Å; E150-R187 IonicContact OE1-CZ 2.86Å; E150-R187 IonicContact OE1-NE 2.68Å; E150-R187 PolarHBondContact OE1-NE 3.05Å; E150-R187 IonicContact OE1-NH2 2.7Å; E150-R187 PolarHBondContact OE1-NH2 2.86Å
151	H	97.3	Very high	97.8	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-107	-21.3	-168.9	-67.5	-28	0	0	0	112.7	I146 E148 E149 Q153 Y184 W188 A191	I146-H151 HydrophobicContact CD1-CB 3.69Å; I146-H151 HydrophobicContact CG1-CB 3.98Å; E148-H151 HydrophobicContact CB-CB 4.27Å; E148-H151 WeakPolarHBondContact O-CA 3.04Å; E148-H151 WeakPolarHBondContact O-CB 3.31Å; E148-H151 PolarHBondContact O-N 2.81Å; E149-H151 PolarHBondContact O-N 2.75Å; E149-H151 VanDerWaalsContact O-N 3.13Å; H151-Q153 PolarHBondContact O-N 2.83Å; H151-Y184 AromaticContact ND1-CE2 3.77Å; H151-Y184 AromaticContact ND1-CZ 3.99Å; H151-W188 VanDerWaalsContact CA-CZ3 3.47Å; H151-W188 HydrophobicContact CB-CE3 3.61Å; H151-W188 HydrophobicContact CB-CH2 4.03Å; H151-W188 HydrophobicContact CB-CZ3 3.24Å; H151-W188 AromaticContact CG-CE3 3.53Å; H151-W188 AromaticContact CG-CZ3 3.76Å; H151-W188 AromaticContact ND1-CE3 3.43Å; H151-W188 AromaticContact ND1-CZ3 3.96Å; H151-W188 WeakPolarHBondContact O-CH2 3.46Å; H151-W188 WeakPolarHBondContact O-CZ3 3.41Å; H151-A191 VanDerWaalsContact CD2-CB 3.44Å; H151-A191 WeakPolarHBondContact CD2-CB 3.47Å
152	D	97.2	Very high	97.8	Very high	47 Å²	47	40 Å²	40	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-90.4	1.8	-171.7	-68.4	-18.5	0	0	0	114.9	G145 I146 G147 E148 E149	G145-D152 VanDerWaalsContact CA-CG 3.49Å; G145-D152 WeakPolarHBondContact CA-OD1 3.13Å; I146-D152 VanDerWaalsContact N-CG 3.35Å; I146-D152 PolarHBondContact N-OD1 2.83Å; I146-D152 PolarHBondContact N-OD2 3.34Å; G147-D152 WeakPolarHBondContact CA-OD2 3.28Å; G147-D152 PolarHBondContact N-OD2 2.82Å; E148-D152 PolarHBondContact N-OD2 3.48Å; E148-D152 VanDerWaalsContact N-OD2 3.12Å; E148-D152 PolarHBondContact O-N 2.83Å; E149-D152 PolarHBondContact O-N 3.4Å
153	Q	95.3	Very high	97.7	Very high	61 Å²	61	44.4 Å²	44.4	29%	0.285	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-20	-179.5	-53.9	-48.4	-54.6	0	0	114.8	P122 S123 E149 H151	P122-Q153 VanDerWaalsContact CA-O 3.24Å; P122-Q153 WeakPolarHBondContact CA-O 3.38Å; S123-Q153 PolarHBondContact N-O 2.68Å; S123-Q153 PolarHBondContact OG-OE1 2.9Å; E149-Q153 WeakPolarHBondContact O-CG 3.23Å; E149-Q153 PolarHBondContact O-NE2 2.79Å; E149-Q153 PolarHBondContact OE1-NE2 2.81Å; H151-Q153 PolarHBondContact O-N 2.83Å
154	E	95.9	Very high	97.7	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.051	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	7.7	-169.7	-64.8	-167.5	135.7	0	0	113.8	Y128 S129 R156 R181	Y128-E154 HydrophobicContact CE1-CB 4.41Å; Y128-E154 HydrophobicContact CE1-CG 4.18Å; Y128-E154 WeakPolarHBondContact CE1-OE1 3.29Å; Y128-E154 PolarHBondContact OH-OE1 2.66Å; S129-E154 WeakPolarHBondContact CB-O 3.18Å; S129-E154 PolarHBondContact OG-O 2.91Å; E154-R156 HydrophobicContact CB-CG 3.87Å; E154-R156 PolarHBondContact O-N 3.3Å; E154-R156 IonicContact OE1-NH2 2.7Å; E154-R156 IonicContact OE2-CZ 3.19Å; E154-R156 IonicContact OE2-NE 2.91Å; E154-R156 PolarHBondContact OE2-NE 3.39Å; E154-R156 IonicContact OE2-NH2 2.79Å; E154-R156 PolarHBondContact OE2-NH2 3.04Å; E154-R181 IonicContact OE1-CZ 3.35Å; E154-R181 IonicContact OE1-NH1 2.68Å; E154-R181 PolarHBondContact OE1-NH1 3.34Å; E154-R181 IonicContact OE1-NH2 2.79Å; E154-R181 PolarHBondContact OE1-NH2 2.85Å; E154-R181 IonicContact OE2-CZ 3.48Å; E154-R181 IonicContact OE2-NH1 2.79Å; E154-R181 IonicContact OE2-NH2 3.54Å; E154-R181 PolarHBondContact OE2-NH2 3Å
155	G	97.1	Very high	97.7	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.021	23%	0.225	C	C	.	.			trans	56.2	53.7	176.7	0	0	0	0	0	113.4	S120 G130 V131	S120-G155 WeakPolarHBondContact OG-CA 3.39Å; G130-G155 CarbonylContact C-O 3.51Å; G130-G155 WeakPolarHBondContact CA-O 3.5Å; V131-G155 PolarHBondContact N-O 3.25Å
156	R	98.4	Very high	97.7	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.026	22%	0.223	C	C	.	.			trans	-107.3	-13.2	-167.3	-70.6	-172.3	175.9	-71.1	-6.1	115.8	Y128 E154 T170 Y171 W188	Y128-R156 PolarHBondContact OH-NH2 2.74Å; E154-R156 HydrophobicContact CB-CG 3.87Å; E154-R156 PolarHBondContact O-N 3.3Å; E154-R156 IonicContact OE1-NH2 2.7Å; E154-R156 IonicContact OE2-CZ 3.19Å; E154-R156 IonicContact OE2-NE 2.91Å; E154-R156 PolarHBondContact OE2-NE 3.39Å; E154-R156 IonicContact OE2-NH2 2.79Å; E154-R156 PolarHBondContact OE2-NH2 3.04Å; R156-T170 CarbonylContact O-C 3.27Å; R156-T170 WeakPolarHBondContact O-CA 3.33Å; R156-T170 PolarHBondContact O-OG1 3.04Å; R156-T170 VanDerWaalsContact O-OG1 3.1Å; R156-Y171 VanDerWaalsContact CD-O 3.27Å; R156-Y171 WeakPolarHBondContact CD-O 3.44Å; R156-Y171 WeakPolarHBondContact CG-O 3.42Å; R156-Y171 VanDerWaalsContact NH1-CE1 3.32Å; R156-Y171 PolarHBondContact NH1-O 2.61Å; R156-Y171 PolarHBondContact O-N 3.49Å; R156-W188 HydrophobicContact CB-CH2 3.88Å; R156-W188 HydrophobicContact CB-CZ2 4.11Å; R156-W188 HydrophobicContact CG-CH2 4.42Å
157	V	98.9	Very high	97.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.9	-170.7	-178.5	0	0	0	0	110.3	G145 I146 V159 V168 T169 W188 F192	G145-V157 PolarHBondContact N-O 2.79Å; I146-V157 HydrophobicContact CG2-CB 4.19Å; I146-V157 HydrophobicContact CG2-CG1 4.2Å; I146-V157 HydrophobicContact CG2-CG2 3.74Å; V157-V159 HydrophobicContact CG1-CG2 3.99Å; V157-V168 HydrophobicContact CG1-CG1 3.86Å; V157-T169 WeakPolarHBondContact CA-O 3.22Å; V157-W188 HydrophobicContact CG2-CH2 4.36Å; V157-W188 HydrophobicContact CG2-CZ2 3.97Å; V157-F192 HydrophobicContact CG2-CE2 4.15Å
158	I	98.9	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.7	162.8	-65.5	164.4	0	0	0	107.5	Y118 V131 L133 V142 Y144 V168 T169	Y118-I158 WeakPolarHBondContact O-CD1 3.1Å; V131-I158 HydrophobicContact CB-CD1 4.38Å; V131-I158 HydrophobicContact CG2-CD1 3.72Å; V131-I158 HydrophobicContact CG2-CG1 3.7Å; L133-I158 HydrophobicContact CB-CD1 4.09Å; L133-I158 HydrophobicContact CB-CG2 3.98Å; L133-I158 HydrophobicContact CD1-CG2 3.95Å; V142-I158 HydrophobicContact CG1-CG2 3.86Å; Y144-I158 HydrophobicContact CD1-CG1 3.77Å; Y144-I158 HydrophobicContact CE1-CD1 4.35Å; Y144-I158 HydrophobicContact CE1-CG1 3.88Å; I158-V168 WeakPolarHBondContact O-CA 3.41Å; I158-T169 HydrophobicContact CB-CG2 3.77Å; I158-T169 PolarHBondContact N-O 2.89Å; I158-T169 VanDerWaalsContact N-O 3.12Å; I158-T169 PolarHBondContact O-N 3.39Å
159	V	98.9	Very high	97.9	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.9	171.7	-175.7	0	0	0	0	108.5	V142 S143 V157 V166 L167 V168 F195 L199	V142-V159 CarbonylContact C-O 3.4Å; V142-V159 VanDerWaalsContact CA-O 3.27Å; V142-V159 WeakPolarHBondContact CA-O 3.45Å; S143-V159 PolarHBondContact N-O 3.34Å; S143-V159 PolarHBondContact O-N 2.89Å; V157-V159 HydrophobicContact CG1-CG2 3.99Å; V159-V166 HydrophobicContact CG1-CG1 3.56Å; V159-L167 CarbonylContact C-O 3.46Å; V159-L167 WeakPolarHBondContact CA-O 3.44Å; V159-V168 HydrophobicContact CB-CG2 4.41Å; V159-V168 HydrophobicContact CG1-CG2 4.07Å; V159-V168 HydrophobicContact CG2-CG1 4.35Å; V159-V168 HydrophobicContact CG2-CG2 3.92Å; V159-F195 HydrophobicContact CG2-CE1 3.98Å; V159-F195 HydrophobicContact CG2-CZ 3.76Å; V159-L199 HydrophobicContact CG1-CD1 4.19Å; V159-L199 HydrophobicContact CG1-CD2 4.34Å; V159-L199 HydrophobicContact CG2-CD1 4.33Å
160	A	98.9	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120	175.5	0	0	0	0	0	109.7	L133 P139 K141 V142 F162 L167	L133-A160 HydrophobicContact CD1-CB 3.63Å; L133-A160 HydrophobicContact CD2-CB 4.29Å; P139-A160 HydrophobicContact CB-CB 4.06Å; P139-A160 HydrophobicContact CG-CB 4.11Å; K141-A160 WeakPolarHBondContact O-CA 3.47Å; V142-A160 HydrophobicContact CG2-CB 4.32Å; A160-F162 HydrophobicContact CB-CE2 3.8Å; A160-F162 HydrophobicContact CB-CZ 4.33Å; A160-L167 PolarHBondContact N-O 3.4Å; A160-L167 PolarHBondContact O-N 3.45Å
161	E	98.9	Very high	98.2	Very high	61 Å²	61	21.8 Å²	21.8	29%	0.285	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.9	176	-175.5	173.5	175.5	0	0	110.3	P139 L140 K141 V166 K203	P139-E161 CarbonylContact C-O 3.59Å; L140-E161 HydrophobicContact CB-CG 4.5Å; L140-E161 WeakPolarHBondContact CB-O 3.27Å; L140-E161 HydrophobicContact CD1-CG 4.49Å; L140-E161 PolarHBondContact N-O 2.85Å; K141-E161 HydrophobicContact CB-CB 4.15Å; K141-E161 PolarHBondContact O-N 2.87Å; E161-V166 HydrophobicContact CB-CG2 4.39Å; E161-V166 HydrophobicContact CG-CG2 4.13Å; E161-K203 HydrophobicContact CG-CD 4.21Å; E161-K203 VanDerWaalsContact OE1-CE 3.28Å; E161-K203 WeakPolarHBondContact OE1-CE 3.21Å; E161-K203 IonicContact OE1-NZ 2.81Å; E161-K203 PolarHBondContact OE1-NZ 3.3Å
162	F	98.8	Very high	98.3	Very high	19 Å²	19	21.6 Å²	21.6	8%	0.083	12%	0.115	C	C	.	.			trans	-115.1	178.9	172.1	-64.8	-86.2	0	0	0	110	I91 P139 A160 S164 F165 L167 K203	I91-F162 HydrophobicContact CD1-CD2 4.41Å; I91-F162 HydrophobicContact CD1-CE1 4.21Å; I91-F162 HydrophobicContact CD1-CE2 3.66Å; I91-F162 HydrophobicContact CD1-CZ 3.53Å; I91-F162 HydrophobicContact CG1-CZ 4.24Å; P139-F162 HydrophobicContact CB-CE1 4.08Å; P139-F162 HydrophobicContact CB-CZ 4.12Å; P139-F162 HydrophobicContact CG-CE1 3.92Å; P139-F162 HydrophobicContact CG-CZ 3.78Å; A160-F162 HydrophobicContact CB-CE2 3.8Å; A160-F162 HydrophobicContact CB-CZ 4.33Å; F162-S164 PolarHBondContact O-N 2.63Å; F162-F165 CarbonylContact C-O 3.53Å; F162-F165 WeakPolarHBondContact CA-O 3.29Å; F162-F165 HydrophobicContact CB-CD1 4.07Å; F162-F165 HydrophobicContact CB-CE1 3.83Å; F162-F165 HydrophobicContact CB-CZ 4.35Å; F162-F165 HydrophobicContact CD2-CE1 4.07Å; F162-F165 HydrophobicContact CD2-CE2 4.11Å; F162-F165 AromaticContact CD2-CZ 3.7Å; F162-F165 HydrophobicContact CD2-CZ 3.7Å; F162-F165 HydrophobicContact CE2-CZ 4.27Å; F162-F165 HydrophobicContact CG-CE1 4.08Å; F162-F165 HydrophobicContact CG-CZ 4.15Å; F162-F165 PolarHBondContact N-O 3.28Å; F162-L167 HydrophobicContact CD2-CB 4.42Å; F162-L167 HydrophobicContact CE2-CB 4.13Å; F162-L167 HydrophobicContact CE2-CD2 4.38Å; F162-K203 PolarHBondContact O-NZ 2.58Å
163	D	97.9	Very high	98.4	Very high	128 Å²	128	19.3 Å²	19.3	68%	0.684	10%	0.103	S	C	*	.	S	Bend	trans	-55.8	-54.5	-176.7	-65.1	-29.8	0	0	0	111.9	K203	D163-K203 PolarHBondContact O-NZ 2.81Å
164	S	97.9	Very high	98.5	Very high	70 Å²	70	19.2 Å²	19.2	49%	0.49	10%	0.104	S	C	.	.	S	Bend	trans	-98.8	-12.5	-171.6	-52.9	0	0	0	0	114.9	F162	F162-S164 PolarHBondContact O-N 2.63Å
165	F	98.8	Very high	98.6	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.035	10%	0.101	C	C	.	.			trans	-156.8	165.7	-174.3	75	-74.3	0	0	0	112.5	L62 I64 I91 F162 L167 P204 V206 L318	L62-F165 HydrophobicContact CD2-CE1 3.63Å; L62-F165 HydrophobicContact CD2-CE2 4.37Å; L62-F165 HydrophobicContact CD2-CZ 3.49Å; L62-F165 VanDerWaalsContact CD2-CZ 3.49Å; I64-F165 HydrophobicContact CD1-CE2 4.17Å; I64-F165 HydrophobicContact CD1-CZ 4.33Å; I91-F165 HydrophobicContact CD1-CZ 4.07Å; F162-F165 CarbonylContact C-O 3.53Å; F162-F165 WeakPolarHBondContact CA-O 3.29Å; F162-F165 HydrophobicContact CB-CD1 4.07Å; F162-F165 HydrophobicContact CB-CE1 3.83Å; F162-F165 HydrophobicContact CB-CZ 4.35Å; F162-F165 HydrophobicContact CD2-CE1 4.07Å; F162-F165 HydrophobicContact CD2-CE2 4.11Å; F162-F165 AromaticContact CD2-CZ 3.7Å; F162-F165 HydrophobicContact CD2-CZ 3.7Å; F162-F165 HydrophobicContact CE2-CZ 4.27Å; F162-F165 HydrophobicContact CG-CE1 4.08Å; F162-F165 HydrophobicContact CG-CZ 4.15Å; F162-F165 PolarHBondContact N-O 3.28Å; F165-L167 HydrophobicContact CD2-CB 4.45Å; F165-L167 HydrophobicContact CE2-CB 3.86Å; F165-P204 CarbonylContact C-O 3.59Å; F165-P204 VanDerWaalsContact CA-O 3.24Å; F165-P204 WeakPolarHBondContact CA-O 3.41Å; F165-P204 HydrophobicContact CB-CB 4.49Å; F165-P204 WeakPolarHBondContact CB-O 3.22Å; F165-V206 HydrophobicContact CD2-CB 4.1Å; F165-V206 HydrophobicContact CD2-CG2 3.63Å; F165-V206 HydrophobicContact CE2-CB 4.32Å; F165-V206 HydrophobicContact CE2-CG2 4.06Å; F165-V206 HydrophobicContact CG-CG2 4.47Å; F165-L318 HydrophobicContact CD1-CD1 3.68Å; F165-L318 HydrophobicContact CE1-CD1 3.75Å
166	V	98.9	Very high	98.6	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.042	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.7	168.3	173.9	0	0	0	0	108.4	V159 E161 V168 L199 K203 P204 L205 V206	V159-V166 HydrophobicContact CG1-CG1 3.56Å; E161-V166 HydrophobicContact CB-CG2 4.39Å; E161-V166 HydrophobicContact CG-CG2 4.13Å; V166-V168 HydrophobicContact CG1-CG2 4.26Å; V166-L199 HydrophobicContact CG1-CD2 4.48Å; V166-K203 HydrophobicContact CG2-CB 3.86Å; V166-K203 HydrophobicContact CG2-CD 4.2Å; V166-P204 PolarHBondContact N-O 2.78Å; V166-L205 HydrophobicContact CG1-CD1 4.3Å; V166-L205 WeakPolarHBondContact O-CA 3.14Å; V166-V206 PolarHBondContact O-N 3.36Å
167	L	98.9	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.7	171.2	-177.3	57.2	0	0	0	109.9	I64 I91 L133 V159 A160 F162 F165 V206	I64-L167 HydrophobicContact CD1-CD1 4.31Å; I64-L167 HydrophobicContact CG2-CD2 4.47Å; I91-L167 HydrophobicContact CB-CD2 4.42Å; I91-L167 HydrophobicContact CD1-CD2 4.01Å; I91-L167 HydrophobicContact CG2-CD2 3.54Å; L133-L167 HydrophobicContact CD1-CD2 3.99Å; L133-L167 HydrophobicContact CD1-CG 4.38Å; V159-L167 CarbonylContact C-O 3.46Å; V159-L167 WeakPolarHBondContact CA-O 3.44Å; A160-L167 PolarHBondContact N-O 3.4Å; A160-L167 PolarHBondContact O-N 3.45Å; F162-L167 HydrophobicContact CD2-CB 4.42Å; F162-L167 HydrophobicContact CE2-CB 4.13Å; F162-L167 HydrophobicContact CE2-CD2 4.38Å; F165-L167 HydrophobicContact CD2-CB 4.45Å; F165-L167 HydrophobicContact CE2-CB 3.86Å; L167-V206 CarbonylContact C-O 3.5Å; L167-V206 WeakPolarHBondContact CA-O 3.45Å; L167-V206 HydrophobicContact CD1-CB 3.95Å; L167-V206 HydrophobicContact CD1-CG1 3.71Å
168	V	98.9	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.1	168.8	-179.7	0	0	0	0	107.9	V157 I158 V159 V166 F192 L196 L199 L205 V206 L207 C208	V157-V168 HydrophobicContact CG1-CG1 3.86Å; I158-V168 WeakPolarHBondContact O-CA 3.41Å; V159-V168 HydrophobicContact CB-CG2 4.41Å; V159-V168 HydrophobicContact CG1-CG2 4.07Å; V159-V168 HydrophobicContact CG2-CG1 4.35Å; V159-V168 HydrophobicContact CG2-CG2 3.92Å; V166-V168 HydrophobicContact CG1-CG2 4.26Å; V168-F192 HydrophobicContact CG1-CE2 4.33Å; V168-F192 HydrophobicContact CG1-CZ 4.27Å; V168-L196 HydrophobicContact CB-CD2 4.3Å; V168-L196 HydrophobicContact CG1-CD2 4.15Å; V168-L196 HydrophobicContact CG2-CD2 3.99Å; V168-L199 HydrophobicContact CG2-CD1 3.93Å; V168-L205 HydrophobicContact CB-CD1 4.21Å; V168-L205 HydrophobicContact CG2-CD1 3.55Å; V168-V206 PolarHBondContact N-O 2.87Å; V168-L207 HydrophobicContact CB-CD1 4.03Å; V168-L207 HydrophobicContact CG1-CD1 3.86Å; V168-L207 CarbonylContact O-C 3.55Å; V168-L207 WeakPolarHBondContact O-CA 3.41Å; V168-C208 PolarHBondContact O-N 2.98Å
169	T	98.9	Very high	98.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.9	166.4	173.8	0	0	0	0	109.2	C93 Q95 L133 V157 I158 C208	C93-T169 HydrophobicContact CB-CG2 4.31Å; Q95-T169 PolarHBondContact NE2-OG1 2.85Å; L133-T169 HydrophobicContact CB-CG2 4.32Å; L133-T169 HydrophobicContact CD1-CG2 4.17Å; V157-T169 WeakPolarHBondContact CA-O 3.22Å; I158-T169 HydrophobicContact CB-CG2 3.77Å; I158-T169 PolarHBondContact N-O 2.89Å; I158-T169 VanDerWaalsContact N-O 3.12Å; I158-T169 PolarHBondContact O-N 3.39Å; T169-C208 CarbonylContact C-O 3.6Å; T169-C208 VanDerWaalsContact CA-O 3.31Å; T169-C208 WeakPolarHBondContact CA-O 3.5Å
170	T	98.9	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.7	178.9	-169.1	0	0	0	0	113.9	Q95 R156 V172 F192 L207 C208 G209 D210 L211	Q95-T170 VanDerWaalsContact CG-O 3.29Å; Q95-T170 WeakPolarHBondContact CG-O 3.35Å; R156-T170 CarbonylContact O-C 3.27Å; R156-T170 WeakPolarHBondContact O-CA 3.33Å; R156-T170 PolarHBondContact O-OG1 3.04Å; R156-T170 VanDerWaalsContact O-OG1 3.1Å; T170-V172 HydrophobicContact CG2-CG2 3.87Å; T170-F192 HydrophobicContact CG2-CE1 4.01Å; T170-F192 HydrophobicContact CG2-CZ 3.82Å; T170-L207 HydrophobicContact CG2-CD1 3.8Å; T170-C208 PolarHBondContact N-O 3Å; T170-G209 WeakPolarHBondContact O-CA 3.27Å; T170-D210 PolarHBondContact O-N 2.8Å; T170-L211 HydrophobicContact CG2-CD2 3.33Å
171	Y	98.8	Very high	98.2	Very high	20 Å²	20	44.9 Å²	44.9	8%	0.078	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	94.5	162.5	177.3	-132.8	0	0	0	108.5	Q95 E96 S129 R156 D210	Q95-Y171 HydrophobicContact CB-CD2 4.31Å; Q95-Y171 HydrophobicContact CB-CG 4.36Å; E96-Y171 HydrophobicContact CB-CE1 4.29Å; E96-Y171 HydrophobicContact CB-CE2 4.25Å; E96-Y171 HydrophobicContact CG-CE1 3.81Å; E96-Y171 HydrophobicContact CG-CE2 4.22Å; E96-Y171 PolarHBondContact OE2-OH 3.11Å; S129-Y171 WeakPolarHBondContact OG-CD1 3.4Å; R156-Y171 VanDerWaalsContact CD-O 3.27Å; R156-Y171 WeakPolarHBondContact CD-O 3.44Å; R156-Y171 WeakPolarHBondContact CG-O 3.42Å; R156-Y171 VanDerWaalsContact NH1-CE1 3.32Å; R156-Y171 PolarHBondContact NH1-O 2.61Å; R156-Y171 PolarHBondContact O-N 3.49Å; Y171-D210 HydrophobicContact CD2-CB 4.13Å; Y171-D210 WeakPolarHBondContact CE2-OD2 3.24Å
172	V	98.8	Very high	98.2	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-65.8	141	-175.4	172.8	0	0	0	0	110.3	T170 N174 D210 L211 N212	T170-V172 HydrophobicContact CG2-CG2 3.87Å; V172-N174 PolarHBondContact O-N 2.93Å; V172-D210 PolarHBondContact N-O 2.79Å; V172-L211 HydrophobicContact CG2-CB 4.34Å; V172-L211 HydrophobicContact CG2-CD2 3.74Å; V172-N212 HydrophobicContact CB-CB 4.36Å; V172-N212 HydrophobicContact CG1-CB 4.44Å; V172-N212 PolarHBondContact O-ND2 3.22Å
173	P	98.5	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-58.5	127.4	177.2	-17.8	26.9	0	0	0	112.5	Y184 R185 W188	P173-Y184 HydrophobicContact CB-CD1 4.03Å; P173-Y184 HydrophobicContact CB-CE1 3.65Å; P173-Y184 HydrophobicContact CG-CD1 4.3Å; P173-Y184 HydrophobicContact CG-CE1 3.55Å; P173-R185 WeakPolarHBondContact O-CD 3.36Å; P173-W188 HydrophobicContact CG-CB 4.22Å; P173-W188 HydrophobicContact CG-CD2 3.62Å; P173-W188 HydrophobicContact CG-CE3 3.85Å; P173-W188 HydrophobicContact CG-CG 3.71Å; P173-W188 HydrophobicContact CG-CZ3 4.47Å
174	N	98.4	Very high	98.3	Very high	58 Å²	58	44.3 Å²	44.3	31%	0.31	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-68	139.6	170.6	-169.9	-86.3	0	0	0	110.7	V172 G176 N212	V172-N174 PolarHBondContact O-N 2.93Å; N174-G176 PolarHBondContact O-N 3.19Å; N174-G176 VanDerWaalsContact O-N 3.12Å; N174-G176 WeakPolarHBondContact OD1-CA 3.32Å; N174-G176 PolarHBondContact OD1-N 3.21Å; N174-N212 PolarHBondContact ND2-OD1 2.91Å
175	A	98.3	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.			trans	-66.5	-10.6	177.3	0	0	0	0	0	113.9	L179 V180 R181 L182 A230 E236	A175-L179 HydrophobicContact CB-CD2 4.33Å; A175-L179 CarbonylContact O-C 3.5Å; A175-L179 VanDerWaalsContact O-C 3.27Å; A175-L179 WeakPolarHBondContact O-CA 3.25Å; A175-V180 PolarHBondContact O-N 2.84Å; A175-R181 CarbonylContact O-C 3.58Å; A175-R181 WeakPolarHBondContact O-CA 3.43Å; A175-R181 PolarHBondContact O-N 3.5Å; A175-L182 HydrophobicContact CB-CB 4.2Å; A175-L182 HydrophobicContact CB-CD1 3.91Å; A175-L182 PolarHBondContact O-N 3.11Å; A175-A230 HydrophobicContact CB-CB 3.84Å; A175-E236 VanDerWaalsContact CB-OE1 3.32Å; A175-E236 WeakPolarHBondContact CB-OE1 3.44Å
176	G	96.4	Very high	98.3	Very high	14 Å²	14	44.8 Å²	44.8	14%	0.144	23%	0.229	C	C	.	.			trans	82.7	157.6	173.1	0	0	0	0	0	113.6	N174 G178 L179	N174-G176 PolarHBondContact O-N 3.19Å; N174-G176 VanDerWaalsContact O-N 3.12Å; N174-G176 WeakPolarHBondContact OD1-CA 3.32Å; N174-G176 PolarHBondContact OD1-N 3.21Å; G176-G178 PolarHBondContact O-N 3.41Å; G176-L179 WeakPolarHBondContact O-CA 3.19Å; G176-L179 PolarHBondContact O-N 2.91Å
177	R	95.3	Very high	98.3	Very high	246 Å²	246	49.5 Å²	49.5	93%	0.928	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-60.6	131.2	173.8	-173.4	179.3	-178.4	-172.8	0.8	109.6	L179	R177-L179 PolarHBondContact O-N 3.19Å
178	G	97.3	Very high	98.3	Very high	73 Å²	73	49.6 Å²	49.6	75%	0.753	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	70.1	15	-174.8	0	0	0	0	0	113.8	G176 V180	G176-G178 PolarHBondContact O-N 3.41Å; G178-V180 PolarHBondContact O-N 2.85Å
179	L	98.1	Very high	98.3	Very high	50 Å²	50	50.5 Å²	50.5	26%	0.262	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	62.4	24.6	176	-52.7	179	0	0	0	114.3	A175 G176 R177 R181 L182 A230 T233	A175-L179 HydrophobicContact CB-CD2 4.33Å; A175-L179 CarbonylContact O-C 3.5Å; A175-L179 VanDerWaalsContact O-C 3.27Å; A175-L179 WeakPolarHBondContact O-CA 3.25Å; G176-L179 WeakPolarHBondContact O-CA 3.19Å; G176-L179 PolarHBondContact O-N 2.91Å; R177-L179 PolarHBondContact O-N 3.19Å; L179-R181 PolarHBondContact O-N 2.81Å; L179-L182 HydrophobicContact CB-CB 4.07Å; L179-L182 HydrophobicContact CB-CD2 4.37Å; L179-L182 HydrophobicContact CD1-CD2 4.18Å; L179-L182 WeakPolarHBondContact O-CB 3.16Å; L179-L182 PolarHBondContact O-N 2.93Å; L179-A230 HydrophobicContact CD2-CB 4.31Å; L179-T233 HydrophobicContact CD1-CG2 3.93Å; L179-T233 HydrophobicContact CD2-CG2 3.6Å; L179-T233 HydrophobicContact CG-CG2 4.44Å
180	V	98.4	Very high	98.3	Very high	117 Å²	117	56.6 Å²	56.6	71%	0.709	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.4	-176.2	-66.7	0	0	0	0	114.6	A175 G178	A175-V180 PolarHBondContact O-N 2.84Å; G178-V180 PolarHBondContact O-N 2.85Å
181	R	98.1	Very high	98.3	Very high	68 Å²	68	57.3 Å²	57.3	26%	0.257	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	13.2	177.1	-67.8	-171.3	73.6	-178.5	8.1	113.1	Y128 E154 A175 L179 E183 Y184 R185	Y128-R181 PolarHBondContact OH-NH1 2.65Å; E154-R181 IonicContact OE1-CZ 3.35Å; E154-R181 IonicContact OE1-NH1 2.68Å; E154-R181 PolarHBondContact OE1-NH1 3.34Å; E154-R181 IonicContact OE1-NH2 2.79Å; E154-R181 PolarHBondContact OE1-NH2 2.85Å; E154-R181 IonicContact OE2-CZ 3.48Å; E154-R181 IonicContact OE2-NH1 2.79Å; E154-R181 IonicContact OE2-NH2 3.54Å; E154-R181 PolarHBondContact OE2-NH2 3Å; A175-R181 CarbonylContact O-C 3.58Å; A175-R181 WeakPolarHBondContact O-CA 3.43Å; A175-R181 PolarHBondContact O-N 3.5Å; L179-R181 PolarHBondContact O-N 2.81Å; R181-E183 VanDerWaalsContact C-N 3.3Å; R181-E183 PolarHBondContact O-N 3.34Å; R181-Y184 VanDerWaalsContact NH2-CD1 3.25Å; R181-Y184 PolarHBondContact O-N 3.31Å; R181-Y184 VanDerWaalsContact O-N 3.15Å; R181-R185 PolarHBondContact O-N 3.04Å
182	L	98.7	Very high	98.3	Very high	17 Å²	17	56.6 Å²	56.6	9%	0.089	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-41.6	-177.9	-177.6	61.2	0	0	0	112.1	A175 L179 Y184 R185 Q186 T233 Q235 E236	A175-L182 HydrophobicContact CB-CB 4.2Å; A175-L182 HydrophobicContact CB-CD1 3.91Å; A175-L182 PolarHBondContact O-N 3.11Å; L179-L182 HydrophobicContact CB-CB 4.07Å; L179-L182 HydrophobicContact CB-CD2 4.37Å; L179-L182 HydrophobicContact CD1-CD2 4.18Å; L179-L182 WeakPolarHBondContact O-CB 3.16Å; L179-L182 PolarHBondContact O-N 2.93Å; L182-Y184 PolarHBondContact O-N 3.16Å; L182-R185 WeakPolarHBondContact O-CB 3.46Å; L182-R185 PolarHBondContact O-N 3.35Å; L182-Q186 WeakPolarHBondContact O-CG 3.38Å; L182-Q186 PolarHBondContact O-N 3.19Å; L182-T233 HydrophobicContact CD1-CG2 4.49Å; L182-T233 HydrophobicContact CD2-CG2 4.36Å; L182-Q235 HydrophobicContact CD1-CB 4.35Å; L182-E236 HydrophobicContact CD1-CG 3.97Å
183	E	98.6	Very high	98.3	Very high	149 Å²	149	58.4 Å²	58.4	70%	0.696	29%	0.29	S	S	*	.	H	α-helix	trans	-62.5	-41.2	176.6	-67.1	-177.4	175.4	0	0	112.5	R181 Q186 R187	R181-E183 VanDerWaalsContact C-N 3.3Å; R181-E183 PolarHBondContact O-N 3.34Å; E183-Q186 PolarHBondContact O-N 2.75Å; E183-R187 PolarHBondContact O-N 2.65Å; E183-R187 PolarHBondContact O-NH1 2.85Å
184	Y	98.6	Very high	98.3	Very high	29 Å²	29	65.5 Å²	65.5	11%	0.114	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-42.6	174.3	173	-100.9	0	0	0	111.3	E150 H151 P173 R181 L182 Q186 R187 W188	E150-Y184 HydrophobicContact CG-CE2 4.34Å; H151-Y184 AromaticContact ND1-CE2 3.77Å; H151-Y184 AromaticContact ND1-CZ 3.99Å; P173-Y184 HydrophobicContact CB-CD1 4.03Å; P173-Y184 HydrophobicContact CB-CE1 3.65Å; P173-Y184 HydrophobicContact CG-CD1 4.3Å; P173-Y184 HydrophobicContact CG-CE1 3.55Å; R181-Y184 VanDerWaalsContact NH2-CD1 3.25Å; R181-Y184 PolarHBondContact O-N 3.31Å; R181-Y184 VanDerWaalsContact O-N 3.15Å; L182-Y184 PolarHBondContact O-N 3.16Å; Y184-Q186 VanDerWaalsContact C-N 3.32Å; Y184-Q186 PolarHBondContact O-N 3.2Å; Y184-R187 PolarHBondContact O-N 2.98Å; Y184-W188 WeakPolarHBondContact O-CB 3.31Å; Y184-W188 PolarHBondContact O-N 2.91Å
185	R	98.8	Very high	98.3	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.019	32%	0.315	C	S	.	.	H	α-helix	trans	-58.2	-41.9	175	166.9	58.4	-176.3	-86.2	8.6	111.8	P173 R181 L182 W188 D189 L211 N212 E236	P173-R185 WeakPolarHBondContact O-CD 3.36Å; R181-R185 PolarHBondContact O-N 3.04Å; L182-R185 WeakPolarHBondContact O-CB 3.46Å; L182-R185 PolarHBondContact O-N 3.35Å; R185-W188 WeakPolarHBondContact O-CB 3.15Å; R185-W188 PolarHBondContact O-N 3.38Å; R185-D189 WeakPolarHBondContact CD-OD1 3.44Å; R185-D189 IonicContact CZ-OD1 3.31Å; R185-D189 IonicContact CZ-OD2 3.4Å; R185-D189 VanDerWaalsContact NE-CG 3.26Å; R185-D189 IonicContact NE-OD1 3.51Å; R185-D189 PolarHBondContact NE-OD1 2.88Å; R185-D189 IonicContact NE-OD2 3.53Å; R185-D189 PolarHBondContact NE-OD2 3.15Å; R185-D189 IonicContact NH2-OD1 2.98Å; R185-D189 IonicContact NH2-OD2 2.94Å; R185-D189 PolarHBondContact O-N 3.25Å; R185-L211 PolarHBondContact NH2-O 2.8Å; R185-N212 PolarHBondContact NH1-O 2.83Å; R185-E236 HydrophobicContact CG-CG 4.05Å; R185-E236 IonicContact NH1-OE1 3.61Å; R185-E236 PolarHBondContact NH1-OE1 2.82Å
186	Q	98.8	Very high	98.3	Very high	83 Å²	83	64.9 Å²	64.9	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-65.8	-41.5	178.1	-69.5	178.5	-95	0	0	112.7	L182 E183 Y184 W188 D189 E190 Q235	L182-Q186 WeakPolarHBondContact O-CG 3.38Å; L182-Q186 PolarHBondContact O-N 3.19Å; E183-Q186 PolarHBondContact O-N 2.75Å; Y184-Q186 VanDerWaalsContact C-N 3.32Å; Y184-Q186 PolarHBondContact O-N 3.2Å; Q186-W188 VanDerWaalsContact C-N 3.34Å; Q186-D189 PolarHBondContact O-N 3.37Å; Q186-E190 PolarHBondContact O-N 3.24Å; Q186-E190 VanDerWaalsContact O-N 3.16Å; Q186-Q235 HydrophobicContact CG-CB 4.2Å
187	R	98.8	Very high	98.4	Very high	107 Å²	107	70.1 Å²	70.1	40%	0.404	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-42.1	173.9	-65.8	-166	-55.8	-85	5.8	111.7	E150 E183 Y184 E190 A191	E150-R187 IonicContact OE1-CZ 2.86Å; E150-R187 IonicContact OE1-NE 2.68Å; E150-R187 PolarHBondContact OE1-NE 3.05Å; E150-R187 IonicContact OE1-NH2 2.7Å; E150-R187 PolarHBondContact OE1-NH2 2.86Å; E183-R187 PolarHBondContact O-N 2.65Å; E183-R187 PolarHBondContact O-NH1 2.85Å; Y184-R187 PolarHBondContact O-N 2.98Å; R187-E190 PolarHBondContact O-N 2.84Å; R187-A191 PolarHBondContact O-N 2.95Å
188	W	98.8	Very high	98.6	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-49.7	173.1	179.5	-85.5	0	0	0	111.9	I146 H151 R156 V157 P173 Y184 R185 Q186 E190 A191 F192	I146-W188 HydrophobicContact CD1-CH2 4.5Å; H151-W188 VanDerWaalsContact CA-CZ3 3.47Å; H151-W188 HydrophobicContact CB-CE3 3.61Å; H151-W188 HydrophobicContact CB-CH2 4.03Å; H151-W188 HydrophobicContact CB-CZ3 3.24Å; H151-W188 AromaticContact CG-CE3 3.53Å; H151-W188 AromaticContact CG-CZ3 3.76Å; H151-W188 AromaticContact ND1-CE3 3.43Å; H151-W188 AromaticContact ND1-CZ3 3.96Å; H151-W188 WeakPolarHBondContact O-CH2 3.46Å; H151-W188 WeakPolarHBondContact O-CZ3 3.41Å; R156-W188 HydrophobicContact CB-CH2 3.88Å; R156-W188 HydrophobicContact CB-CZ2 4.11Å; R156-W188 HydrophobicContact CG-CH2 4.42Å; V157-W188 HydrophobicContact CG2-CH2 4.36Å; V157-W188 HydrophobicContact CG2-CZ2 3.97Å; P173-W188 HydrophobicContact CG-CB 4.22Å; P173-W188 HydrophobicContact CG-CD2 3.62Å; P173-W188 HydrophobicContact CG-CE3 3.85Å; P173-W188 HydrophobicContact CG-CG 3.71Å; P173-W188 HydrophobicContact CG-CZ3 4.47Å; Y184-W188 WeakPolarHBondContact O-CB 3.31Å; Y184-W188 PolarHBondContact O-N 2.91Å; R185-W188 WeakPolarHBondContact O-CB 3.15Å; R185-W188 PolarHBondContact O-N 3.38Å; Q186-W188 VanDerWaalsContact C-N 3.34Å; W188-E190 VanDerWaalsContact C-N 3.29Å; W188-E190 PolarHBondContact O-N 3.09Å; W188-A191 PolarHBondContact O-N 3.1Å; W188-F192 WeakPolarHBondContact O-CB 3.21Å; W188-F192 PolarHBondContact O-N 3.4Å
189	D	98.8	Very high	98.6	Very high	19 Å²	19	57 Å²	57	10%	0.102	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-40.7	-178.3	-75.3	-14.2	0	0	0	111.5	R185 Q186 R193	R185-D189 WeakPolarHBondContact CD-OD1 3.44Å; R185-D189 IonicContact CZ-OD1 3.31Å; R185-D189 IonicContact CZ-OD2 3.4Å; R185-D189 VanDerWaalsContact NE-CG 3.26Å; R185-D189 IonicContact NE-OD1 3.51Å; R185-D189 PolarHBondContact NE-OD1 2.88Å; R185-D189 IonicContact NE-OD2 3.53Å; R185-D189 PolarHBondContact NE-OD2 3.15Å; R185-D189 IonicContact NH2-OD1 2.98Å; R185-D189 IonicContact NH2-OD2 2.94Å; R185-D189 PolarHBondContact O-N 3.25Å; Q186-D189 PolarHBondContact O-N 3.37Å; D189-R193 WeakPolarHBondContact O-CB 3.49Å; D189-R193 PolarHBondContact O-N 3.43Å
190	E	98.8	Very high	98.5	Very high	128 Å²	128	55.8 Å²	55.8	60%	0.598	27%	0.269	S	S	*	.	H	α-helix	trans	-65.1	-51.3	176.3	-178.1	176.2	179.3	0	0	112.4	Q186 R187 W188 F192 R193 K194	Q186-E190 PolarHBondContact O-N 3.24Å; Q186-E190 VanDerWaalsContact O-N 3.16Å; R187-E190 PolarHBondContact O-N 2.84Å; W188-E190 VanDerWaalsContact C-N 3.29Å; W188-E190 PolarHBondContact O-N 3.09Å; E190-F192 PolarHBondContact O-N 2.93Å; E190-R193 PolarHBondContact O-N 2.85Å; E190-K194 PolarHBondContact O-N 3.24Å
191	A	98.8	Very high	98.5	Very high	16 Å²	16	54.7 Å²	54.7	13%	0.132	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-44.8	179.7	0	0	0	0	0	111.4	I146 H151 R187 W188 R193 K194 F195	I146-A191 HydrophobicContact CD1-CB 3.96Å; H151-A191 VanDerWaalsContact CD2-CB 3.44Å; H151-A191 WeakPolarHBondContact CD2-CB 3.47Å; R187-A191 PolarHBondContact O-N 2.95Å; W188-A191 PolarHBondContact O-N 3.1Å; A191-R193 PolarHBondContact O-N 2.94Å; A191-K194 PolarHBondContact O-N 3.12Å; A191-F195 WeakPolarHBondContact O-CB 3.31Å; A191-F195 PolarHBondContact O-N 3.27Å
192	F	98.9	Very high	98.4	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-43.2	179.6	-171.4	-133	0	0	0	111.8	I146 V157 V168 T170 W188 E190 K194 F195 L196 L207	I146-F192 HydrophobicContact CG2-CD2 3.77Å; I146-F192 HydrophobicContact CG2-CE2 4.16Å; V157-F192 HydrophobicContact CG2-CE2 4.15Å; V168-F192 HydrophobicContact CG1-CE2 4.33Å; V168-F192 HydrophobicContact CG1-CZ 4.27Å; T170-F192 HydrophobicContact CG2-CE1 4.01Å; T170-F192 HydrophobicContact CG2-CZ 3.82Å; W188-F192 WeakPolarHBondContact O-CB 3.21Å; W188-F192 PolarHBondContact O-N 3.4Å; E190-F192 PolarHBondContact O-N 2.93Å; F192-K194 PolarHBondContact O-N 2.98Å; F192-F195 HydrophobicContact CD2-CD1 4.16Å; F192-F195 HydrophobicContact CE2-CD1 4.27Å; F192-F195 WeakPolarHBondContact O-CB 3.38Å; F192-F195 PolarHBondContact O-N 3.41Å; F192-L196 HydrophobicContact CD1-CD1 3.84Å; F192-L196 HydrophobicContact CD2-CD1 4.23Å; F192-L196 HydrophobicContact CD2-CG 4.13Å; F192-L196 HydrophobicContact CE1-CD1 3.56Å; F192-L196 HydrophobicContact CE1-CG 4.4Å; F192-L196 HydrophobicContact CE2-CD1 3.99Å; F192-L196 HydrophobicContact CE2-CD2 3.95Å; F192-L196 HydrophobicContact CE2-CG 3.94Å; F192-L196 HydrophobicContact CG-CD1 4.18Å; F192-L196 HydrophobicContact CG-CG 4.47Å; F192-L196 HydrophobicContact CZ-CD1 3.65Å; F192-L196 HydrophobicContact CZ-CD2 4.09Å; F192-L196 HydrophobicContact CZ-CG 4.09Å; F192-L196 WeakPolarHBondContact O-CB 3.45Å; F192-L196 VanDerWaalsContact O-CG 3.29Å; F192-L196 WeakPolarHBondContact O-CG 3.4Å; F192-L196 PolarHBondContact O-N 3.37Å; F192-L207 HydrophobicContact CE1-CD1 4.19Å; F192-L207 HydrophobicContact CE1-CD2 4.15Å; F192-L207 HydrophobicContact CZ-CD1 3.78Å; F192-L207 HydrophobicContact CZ-CD2 4.43Å
193	R	98.8	Very high	98.4	Very high	43 Å²	43	61.1 Å²	61.1	16%	0.162	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-43.3	175.1	180	177.8	61.2	-131	4.7	112.1	D189 E190 A191 L196 K197 E242 L243 A246 V247	D189-R193 WeakPolarHBondContact O-CB 3.49Å; D189-R193 PolarHBondContact O-N 3.43Å; E190-R193 PolarHBondContact O-N 2.85Å; A191-R193 PolarHBondContact O-N 2.94Å; R193-L196 PolarHBondContact O-N 3.15Å; R193-K197 WeakPolarHBondContact O-CB 3.39Å; R193-K197 PolarHBondContact O-N 3.44Å; R193-E242 WeakPolarHBondContact CD-O 3.48Å; R193-E242 IonicContact CZ-OE2 3.64Å; R193-E242 IonicContact NH1-OE2 3.24Å; R193-E242 PolarHBondContact NH1-OE2 3.5Å; R193-E242 IonicContact NH2-OE2 2.78Å; R193-E242 PolarHBondContact NH2-OE2 2.81Å; R193-L243 HydrophobicContact CB-CD1 4.32Å; R193-L243 HydrophobicContact CG-CD1 4.34Å; R193-A246 HydrophobicContact CG-CB 4Å; R193-V247 HydrophobicContact CG-CG2 4.18Å
194	K	98.8	Very high	98.4	Very high	148 Å²	148	56 Å²	56	64%	0.643	27%	0.27	S	S	*	.	H	α-helix	trans	-61	-45.2	175.6	-179.4	-174.7	172.6	-165.5	0	111.2	E190 A191 F192 K197 G198	E190-K194 PolarHBondContact O-N 3.24Å; A191-K194 PolarHBondContact O-N 3.12Å; F192-K194 PolarHBondContact O-N 2.98Å; K194-K197 PolarHBondContact O-N 2.86Å; K194-G198 PolarHBondContact O-N 3.1Å
195	F	98.8	Very high	98.4	Very high	46 Å²	46	54.6 Å²	54.6	20%	0.202	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-51.9	176.8	170.3	-108.4	0	0	0	112.3	I146 V159 A191 F192 K197 G198 L199	I146-F195 HydrophobicContact CB-CB 4.13Å; I146-F195 HydrophobicContact CB-CD1 3.91Å; I146-F195 HydrophobicContact CB-CD2 4.09Å; I146-F195 HydrophobicContact CB-CE1 4.26Å; I146-F195 HydrophobicContact CB-CE2 4.43Å; I146-F195 HydrophobicContact CB-CG 3.78Å; I146-F195 HydrophobicContact CB-CZ 4.49Å; I146-F195 HydrophobicContact CG2-CD1 3.78Å; I146-F195 HydrophobicContact CG2-CE1 3.96Å; I146-F195 HydrophobicContact CG2-CG 4.19Å; I146-F195 WeakPolarHBondContact O-CD2 3.38Å; V159-F195 HydrophobicContact CG2-CE1 3.98Å; V159-F195 HydrophobicContact CG2-CZ 3.76Å; A191-F195 WeakPolarHBondContact O-CB 3.31Å; A191-F195 PolarHBondContact O-N 3.27Å; F192-F195 HydrophobicContact CD2-CD1 4.16Å; F192-F195 HydrophobicContact CE2-CD1 4.27Å; F192-F195 WeakPolarHBondContact O-CB 3.38Å; F192-F195 PolarHBondContact O-N 3.41Å; F195-K197 VanDerWaalsContact C-N 3.33Å; F195-K197 PolarHBondContact O-N 2.96Å; F195-G198 WeakPolarHBondContact O-CA 3.33Å; F195-G198 PolarHBondContact O-N 2.86Å; F195-G198 VanDerWaalsContact O-N 3.08Å; F195-L199 HydrophobicContact CD1-CD1 4.03Å; F195-L199 HydrophobicContact CE1-CD1 3.4Å; F195-L199 HydrophobicContact CE1-CG 4.49Å; F195-L199 HydrophobicContact CE2-CD1 4.11Å; F195-L199 HydrophobicContact CE2-CG 4.49Å; F195-L199 HydrophobicContact CZ-CD1 3.47Å; F195-L199 VanDerWaalsContact CZ-CD1 3.47Å; F195-L199 HydrophobicContact CZ-CG 4.3Å; F195-L199 PolarHBondContact O-N 3.45Å; F195-L199 VanDerWaalsContact O-N 3.12Å
196	L	98.8	Very high	98.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-36.6	-179.3	-67.8	175.2	0	0	0	112.6	V168 F192 R193 G198 L199 A200 L205 L207 L243 V247	V168-L196 HydrophobicContact CB-CD2 4.3Å; V168-L196 HydrophobicContact CG1-CD2 4.15Å; V168-L196 HydrophobicContact CG2-CD2 3.99Å; F192-L196 HydrophobicContact CD1-CD1 3.84Å; F192-L196 HydrophobicContact CD2-CD1 4.23Å; F192-L196 HydrophobicContact CD2-CG 4.13Å; F192-L196 HydrophobicContact CE1-CD1 3.56Å; F192-L196 HydrophobicContact CE1-CG 4.4Å; F192-L196 HydrophobicContact CE2-CD1 3.99Å; F192-L196 HydrophobicContact CE2-CD2 3.95Å; F192-L196 HydrophobicContact CE2-CG 3.94Å; F192-L196 HydrophobicContact CG-CD1 4.18Å; F192-L196 HydrophobicContact CG-CG 4.47Å; F192-L196 HydrophobicContact CZ-CD1 3.65Å; F192-L196 HydrophobicContact CZ-CD2 4.09Å; F192-L196 HydrophobicContact CZ-CG 4.09Å; F192-L196 WeakPolarHBondContact O-CB 3.45Å; F192-L196 VanDerWaalsContact O-CG 3.29Å; F192-L196 WeakPolarHBondContact O-CG 3.4Å; F192-L196 PolarHBondContact O-N 3.37Å; R193-L196 PolarHBondContact O-N 3.15Å; L196-G198 VanDerWaalsContact C-N 3.25Å; L196-G198 PolarHBondContact O-N 3.36Å; L196-L199 HydrophobicContact CD2-CD1 4.32Å; L196-L199 PolarHBondContact O-N 3.34Å; L196-L199 VanDerWaalsContact O-N 3.14Å; L196-A200 WeakPolarHBondContact O-CB 3.17Å; L196-A200 PolarHBondContact O-N 3.19Å; L196-L205 HydrophobicContact CB-CD2 4.15Å; L196-L205 HydrophobicContact CD2-CD2 3.94Å; L196-L207 HydrophobicContact CD1-CD2 3.73Å; L196-L243 HydrophobicContact CD1-CD1 3.64Å; L196-V247 HydrophobicContact CB-CG1 4.18Å; L196-V247 HydrophobicContact CB-CG2 4Å
197	K	98.5	Very high	98.4	Very high	124 Å²	124	50.4 Å²	50.4	54%	0.539	25%	0.245	S	C	.	.	H	α-helix	trans	-58.2	-40.8	173.2	-169.5	176.2	-176.2	176	0	111.4	R193 K194 F195 S201 V247	R193-K197 WeakPolarHBondContact O-CB 3.39Å; R193-K197 PolarHBondContact O-N 3.44Å; K194-K197 PolarHBondContact O-N 2.86Å; F195-K197 VanDerWaalsContact C-N 3.33Å; F195-K197 PolarHBondContact O-N 2.96Å; K197-S201 PolarHBondContact O-N 2.93Å; K197-V247 HydrophobicContact CB-CG2 4.12Å
198	G	98.3	Very high	98.4	Very high	27 Å²	27	45.3 Å²	45.3	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-44.9	174	0	0	0	0	0	112.5	K194 F195 L196 S201 R202	K194-G198 PolarHBondContact O-N 3.1Å; F195-G198 WeakPolarHBondContact O-CA 3.33Å; F195-G198 PolarHBondContact O-N 2.86Å; F195-G198 VanDerWaalsContact O-N 3.08Å; L196-G198 VanDerWaalsContact C-N 3.25Å; L196-G198 PolarHBondContact O-N 3.36Å; G198-S201 PolarHBondContact O-OG 2.81Å; G198-R202 PolarHBondContact O-NH1 3.33Å
199	L	97.9	Very high	98.4	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-50.4	177.8	-74.7	169.2	0	0	0	112.7	V159 V166 V168 F195 L196 S201 R202 K203	V159-L199 HydrophobicContact CG1-CD1 4.19Å; V159-L199 HydrophobicContact CG1-CD2 4.34Å; V159-L199 HydrophobicContact CG2-CD1 4.33Å; V166-L199 HydrophobicContact CG1-CD2 4.48Å; V168-L199 HydrophobicContact CG2-CD1 3.93Å; F195-L199 HydrophobicContact CD1-CD1 4.03Å; F195-L199 HydrophobicContact CE1-CD1 3.4Å; F195-L199 HydrophobicContact CE1-CG 4.49Å; F195-L199 HydrophobicContact CE2-CD1 4.11Å; F195-L199 HydrophobicContact CE2-CG 4.49Å; F195-L199 HydrophobicContact CZ-CD1 3.47Å; F195-L199 VanDerWaalsContact CZ-CD1 3.47Å; F195-L199 HydrophobicContact CZ-CG 4.3Å; F195-L199 PolarHBondContact O-N 3.45Å; F195-L199 VanDerWaalsContact O-N 3.12Å; L196-L199 HydrophobicContact CD2-CD1 4.32Å; L196-L199 PolarHBondContact O-N 3.34Å; L196-L199 VanDerWaalsContact O-N 3.14Å; L199-S201 PolarHBondContact O-N 2.89Å; L199-S201 VanDerWaalsContact O-N 3.16Å; L199-R202 PolarHBondContact O-N 2.9Å; L199-K203 PolarHBondContact O-N 2.85Å
200	A	96.9	Very high	98.4	Very high	26 Å²	26	44.4 Å²	44.4	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-22.3	-177.6	0	0	0	0	0	113.1	L196 R202 L205 V247	L196-A200 WeakPolarHBondContact O-CB 3.17Å; L196-A200 PolarHBondContact O-N 3.19Å; A200-R202 PolarHBondContact O-N 2.89Å; A200-L205 HydrophobicContact CB-CB 4.16Å; A200-L205 HydrophobicContact CB-CD2 4.22Å; A200-V247 HydrophobicContact CB-CG1 3.68Å
201	S	96.8	Very high	98.5	Very high	94 Å²	94	38.5 Å²	38.5	66%	0.657	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.7	173.7	75.5	0	0	0	0	114.3	K197 G198 L199	K197-S201 PolarHBondContact O-N 2.93Å; G198-S201 PolarHBondContact O-OG 2.81Å; L199-S201 PolarHBondContact O-N 2.89Å; L199-S201 VanDerWaalsContact O-N 3.16Å
202	R	97	Very high	98.5	Very high	169 Å²	169	38.1 Å²	38.1	64%	0.638	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-41.1	-174.5	-63.6	-174	-69.7	-94	6.9	113.3	G198 L199 A200	G198-R202 PolarHBondContact O-NH1 3.33Å; L199-R202 PolarHBondContact O-N 2.9Å; A200-R202 PolarHBondContact O-N 2.89Å
203	K	98.3	Very high	98.5	Very high	51 Å²	51	37.9 Å²	37.9	22%	0.222	19%	0.189	C	C	.	.	S	Bend	trans	-146.7	152.3	-179.9	-83.5	-175	172.7	179.4	0	109.7	E161 F162 D163 V166 L199 L205	E161-K203 HydrophobicContact CG-CD 4.21Å; E161-K203 VanDerWaalsContact OE1-CE 3.28Å; E161-K203 WeakPolarHBondContact OE1-CE 3.21Å; E161-K203 IonicContact OE1-NZ 2.81Å; E161-K203 PolarHBondContact OE1-NZ 3.3Å; F162-K203 PolarHBondContact O-NZ 2.58Å; D163-K203 PolarHBondContact O-NZ 2.81Å; V166-K203 HydrophobicContact CG2-CB 3.86Å; V166-K203 HydrophobicContact CG2-CD 4.2Å; L199-K203 PolarHBondContact O-N 2.85Å; K203-L205 PolarHBondContact O-N 2.85Å
204	P	98.8	Very high	98.5	Very high	40 Å²	40	35.9 Å²	35.9	26%	0.26	18%	0.181	S	C	.	.			trans	-53.1	134.7	172	-23.7	33.6	0	0	0	111.3	F165 V166 L291	F165-P204 CarbonylContact C-O 3.59Å; F165-P204 VanDerWaalsContact CA-O 3.24Å; F165-P204 WeakPolarHBondContact CA-O 3.41Å; F165-P204 HydrophobicContact CB-CB 4.49Å; F165-P204 WeakPolarHBondContact CB-O 3.22Å; V166-P204 PolarHBondContact N-O 2.78Å; P204-L291 HydrophobicContact CB-CD1 3.95Å; P204-L291 HydrophobicContact CB-CD2 3.83Å; P204-L291 HydrophobicContact CB-CG 3.79Å
205	L	98.9	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.8	-174.5	173.7	65	0	0	0	110.8	V166 V168 L196 A200 K203 V247 L249 S288	V166-L205 HydrophobicContact CG1-CD1 4.3Å; V166-L205 WeakPolarHBondContact O-CA 3.14Å; V168-L205 HydrophobicContact CB-CD1 4.21Å; V168-L205 HydrophobicContact CG2-CD1 3.55Å; L196-L205 HydrophobicContact CB-CD2 4.15Å; L196-L205 HydrophobicContact CD2-CD2 3.94Å; A200-L205 HydrophobicContact CB-CB 4.16Å; A200-L205 HydrophobicContact CB-CD2 4.22Å; K203-L205 PolarHBondContact O-N 2.85Å; L205-V247 HydrophobicContact CD2-CG1 4.13Å; L205-L249 HydrophobicContact CB-CD2 4.48Å; L205-L249 HydrophobicContact CD2-CD1 4.23Å; L205-L249 HydrophobicContact CD2-CD2 4.12Å; L205-L249 HydrophobicContact CG-CD2 4.41Å; L205-S288 WeakPolarHBondContact CB-OG 3.36Å; L205-S288 PolarHBondContact N-OG 2.9Å; L205-S288 PolarHBondContact O-N 2.92Å; L205-S288 PolarHBondContact O-OG 3.5Å
206	V	98.9	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118	159.9	-180	0	0	0	0	107	I64 F165 V166 L167 V168 F285 L287 L291 L314 L316	I64-V206 HydrophobicContact CD1-CG1 4.25Å; F165-V206 HydrophobicContact CD2-CB 4.1Å; F165-V206 HydrophobicContact CD2-CG2 3.63Å; F165-V206 HydrophobicContact CE2-CB 4.32Å; F165-V206 HydrophobicContact CE2-CG2 4.06Å; F165-V206 HydrophobicContact CG-CG2 4.47Å; V166-V206 PolarHBondContact O-N 3.36Å; L167-V206 CarbonylContact C-O 3.5Å; L167-V206 WeakPolarHBondContact CA-O 3.45Å; L167-V206 HydrophobicContact CD1-CB 3.95Å; L167-V206 HydrophobicContact CD1-CG1 3.71Å; V168-V206 PolarHBondContact N-O 2.87Å; V206-F285 HydrophobicContact CG1-CD1 4.07Å; V206-L287 HydrophobicContact CB-CD2 4.19Å; V206-L287 HydrophobicContact CG1-CD2 3.82Å; V206-L287 HydrophobicContact CG2-CD2 3.82Å; V206-L291 HydrophobicContact CG2-CD1 3.61Å; V206-L314 HydrophobicContact CG1-CD2 4.05Å; V206-L316 HydrophobicContact CG2-CD1 4.19Å
207	L	98.9	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.9	171.1	165.1	65.7	0	0	0	108.6	V168 T170 F192 L196 L243 L249 F285 L286	V168-L207 HydrophobicContact CB-CD1 4.03Å; V168-L207 HydrophobicContact CG1-CD1 3.86Å; V168-L207 CarbonylContact O-C 3.55Å; V168-L207 WeakPolarHBondContact O-CA 3.41Å; T170-L207 HydrophobicContact CG2-CD1 3.8Å; F192-L207 HydrophobicContact CE1-CD1 4.19Å; F192-L207 HydrophobicContact CE1-CD2 4.15Å; F192-L207 HydrophobicContact CZ-CD1 3.78Å; F192-L207 HydrophobicContact CZ-CD2 4.43Å; L196-L207 HydrophobicContact CD1-CD2 3.73Å; L207-L243 HydrophobicContact CD2-CD2 4.11Å; L207-L249 HydrophobicContact CD2-CD1 4.33Å; L207-F285 CarbonylContact O-C 3.56Å; L207-F285 WeakPolarHBondContact O-CA 3.35Å; L207-L286 HydrophobicContact CB-CB 4.21Å; L207-L286 HydrophobicContact CD2-CB 4.41Å; L207-L286 HydrophobicContact CD2-CD1 3.95Å; L207-L286 HydrophobicContact CD2-CG 4.48Å; L207-L286 PolarHBondContact N-O 3.42Å; L207-L286 PolarHBondContact O-N 2.67Å
208	C	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	167.4	175.3	74.2	0	0	0	0	114.1	C93 V168 T169 T170 Y284 F285	C93-C208 VanDerWaalsContact SG-SG 3.63Å; V168-C208 PolarHBondContact O-N 2.98Å; T169-C208 CarbonylContact C-O 3.6Å; T169-C208 VanDerWaalsContact CA-O 3.31Å; T169-C208 WeakPolarHBondContact CA-O 3.5Å; T170-C208 PolarHBondContact N-O 3Å; C208-Y284 WeakPolarHBondContact CA-O 3.49Å; C208-Y284 WeakPolarHBondContact CB-O 3.44Å; C208-F285 HydrophobicContact CB-CD1 3.37Å; C208-F285 HydrophobicContact CB-CE1 3.37Å; C208-F285 HydrophobicContact CB-CG 4.17Å; C208-F285 HydrophobicContact CB-CZ 4.19Å
209	G	98.8	Very high	98.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119.6	-170.2	175.1	0	0	0	0	0	113.2	S66 T170 L211 D283 Y284	S66-G209 WeakPolarHBondContact OG-CA 3.05Å; S66-G209 PolarHBondContact OG-N 2.91Å; T170-G209 WeakPolarHBondContact O-CA 3.27Å; G209-L211 PolarHBondContact O-N 3.07Å; G209-D283 VanDerWaalsContact O-CA 3.31Å; G209-D283 WeakPolarHBondContact O-CA 3.24Å; G209-Y284 PolarHBondContact N-O 2.79Å; G209-Y284 PolarHBondContact O-N 2.7Å
210	D	98.9	Very high	98.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	105.8	177.3	176.3	8.9	0	0	0	109.8	N68 T170 Y171 V172 N212 H309	N68-D210 HydrophobicContact CB-CB 4.22Å; N68-D210 PolarHBondContact ND2-OD2 2.82Å; T170-D210 PolarHBondContact O-N 2.8Å; Y171-D210 HydrophobicContact CD2-CB 4.13Å; Y171-D210 WeakPolarHBondContact CE2-OD2 3.24Å; V172-D210 PolarHBondContact N-O 2.79Å; D210-N212 VanDerWaalsContact C-N 3.29Å; D210-N212 VanDerWaalsContact CG-ND2 3.26Å; D210-N212 WeakPolarHBondContact OD1-CA 3.39Å; D210-N212 PolarHBondContact OD1-N 3.36Å; D210-N212 PolarHBondContact OD1-ND2 2.87Å; D210-N212 PolarHBondContact OD2-ND2 3.31Å; D210-H309 IonicContact OD2-CE1 3.88Å; D210-H309 IonicContact OD2-NE2 3.88Å
211	L	98.9	Very high	98.6	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.162	C	C	.	.			trans	-88.2	1.6	179.5	-56.8	-172.1	0	0	0	112.6	T170 V172 R185 G209 V213 F240 L282 Y284 L286	T170-L211 HydrophobicContact CG2-CD2 3.33Å; V172-L211 HydrophobicContact CG2-CB 4.34Å; V172-L211 HydrophobicContact CG2-CD2 3.74Å; R185-L211 PolarHBondContact NH2-O 2.8Å; G209-L211 PolarHBondContact O-N 3.07Å; L211-V213 HydrophobicContact CB-CG1 4.38Å; L211-V213 PolarHBondContact O-N 2.97Å; L211-V213 VanDerWaalsContact O-N 3.09Å; L211-F240 HydrophobicContact CB-CE2 4.44Å; L211-F240 HydrophobicContact CD1-CD2 4.35Å; L211-F240 HydrophobicContact CD1-CE2 3.65Å; L211-L282 PolarHBondContact N-O 3.18Å; L211-Y284 HydrophobicContact CB-CD2 3.83Å; L211-Y284 HydrophobicContact CB-CE2 4.16Å; L211-Y284 HydrophobicContact CD1-CD2 3.76Å; L211-Y284 HydrophobicContact CD1-CG 3.96Å; L211-Y284 HydrophobicContact CG-CD2 3.82Å; L211-Y284 HydrophobicContact CG-CG 4.42Å; L211-L286 HydrophobicContact CD1-CD1 3.62Å; L211-L286 HydrophobicContact CD1-CG 4.1Å
212	N	98.9	Very high	98.7	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.043	15%	0.152	C	C	.	.	S	Bend	trans	50.1	37.5	175.3	-93.6	-78.6	0	0	0	113.3	V172 N174 R185 D210 G231	V172-N212 HydrophobicContact CB-CB 4.36Å; V172-N212 HydrophobicContact CG1-CB 4.44Å; V172-N212 PolarHBondContact O-ND2 3.22Å; N174-N212 PolarHBondContact ND2-OD1 2.91Å; R185-N212 PolarHBondContact NH1-O 2.83Å; D210-N212 VanDerWaalsContact C-N 3.29Å; D210-N212 VanDerWaalsContact CG-ND2 3.26Å; D210-N212 WeakPolarHBondContact OD1-CA 3.39Å; D210-N212 PolarHBondContact OD1-N 3.36Å; D210-N212 PolarHBondContact OD1-ND2 2.87Å; D210-N212 PolarHBondContact OD2-ND2 3.31Å; N212-G231 WeakPolarHBondContact O-CA 3.46Å
213	V	98.9	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.			trans	-153.3	134.9	175	61.3	0	0	0	0	110.4	L211 G231 E236 R237 F240 Y284	L211-V213 HydrophobicContact CB-CG1 4.38Å; L211-V213 PolarHBondContact O-N 2.97Å; L211-V213 VanDerWaalsContact O-N 3.09Å; V213-G231 CarbonylContact C-O 3.51Å; V213-G231 WeakPolarHBondContact CA-O 3.49Å; V213-E236 HydrophobicContact CB-CB 4.29Å; V213-E236 HydrophobicContact CG2-CB 3.8Å; V213-R237 HydrophobicContact CG2-CG 4.22Å; V213-F240 HydrophobicContact CG1-CB 4Å; V213-F240 HydrophobicContact CG1-CD2 3.39Å; V213-F240 HydrophobicContact CG1-CE2 4.14Å; V213-F240 HydrophobicContact CG1-CG 4.01Å; V213-Y284 VanDerWaalsContact O-CE2 3.25Å; V213-Y284 WeakPolarHBondContact O-CE2 3.46Å; V213-Y284 PolarHBondContact O-OH 3.29Å
214	A	98.9	Very high	98.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.			trans	-90.6	115.4	162.6	0	0	0	0	0	107.6	D219 L220 G231 F232 R237 W280 L282	A214-D219 HydrophobicContact CB-CB 3.8Å; A214-L220 HydrophobicContact CB-CB 4.16Å; A214-L220 HydrophobicContact CB-CD1 4.48Å; A214-L220 HydrophobicContact CB-CD2 4.38Å; A214-G231 PolarHBondContact N-O 2.92Å; A214-F232 HydrophobicContact CB-CD2 3.96Å; A214-F232 HydrophobicContact CB-CE2 4.42Å; A214-F232 VanDerWaalsContact O-CD2 3.22Å; A214-F232 WeakPolarHBondContact O-CD2 3.46Å; A214-F232 WeakPolarHBondContact O-CE2 3.33Å; A214-R237 WeakPolarHBondContact O-CG 3.45Å; A214-W280 HydrophobicContact CB-CE3 4.06Å; A214-L282 HydrophobicContact CB-CD2 4.37Å
215	H	98.9	Very high	98.6	Very high	33 Å²	33	34 Å²	34	15%	0.153	18%	0.175	C	C	.	.			trans	-64.5	-51.4	-169.4	-179.7	-152.7	0	0	0	112.6	R237 F240 Y284	H215-R237 WeakPolarHBondContact O-CG 3.31Å; H215-R237 PolarHBondContact O-NE 2.87Å; H215-F240 HydrophobicContact CB-CD1 3.66Å; H215-F240 HydrophobicContact CB-CE1 3.69Å; H215-F240 HydrophobicContact CB-CG 4.31Å; H215-F240 HydrophobicContact CB-CZ 4.39Å; H215-F240 AromaticContact CD2-CD1 3.44Å; H215-F240 VanDerWaalsContact CD2-CD1 3.44Å; H215-F240 WeakPolarHBondContact CD2-CD1 3.15Å; H215-F240 AromaticContact CE1-CD1 3.97Å; H215-F240 AromaticContact CG-CD1 3.32Å; H215-F240 AromaticContact CG-CE1 3.58Å; H215-F240 AromaticContact ND1-CD1 3.67Å; H215-F240 AromaticContact ND1-CE1 3.63Å; H215-F240 AromaticContact NE2-CD1 3.84Å; H215-Y284 PolarHBondContact N-OH 2.8Å
216	E	98.8	Very high	98.6	Very high	82 Å²	82	35.1 Å²	35.1	38%	0.383	18%	0.181	S	C	.	.	S	Bend	trans	-124.3	169.1	-175.9	-65.7	-61.4	175.2	0	0	113.1	I218 D219 R237	E216-I218 HydrophobicContact CB-CG2 4.08Å; E216-I218 PolarHBondContact O-N 2.91Å; E216-I218 VanDerWaalsContact O-N 3.08Å; E216-D219 PolarHBondContact N-OD2 3.18Å; E216-D219 WeakPolarHBondContact O-CB 3.45Å; E216-D219 PolarHBondContact O-N 3.44Å; E216-R237 IonicContact OE2-CZ 3.8Å; E216-R237 IonicContact OE2-NH2 3.84Å; E216-R237 PolarHBondContact OE2-NH2 3.48Å
217	E	98.8	Very high	98.5	Very high	85 Å²	85	39.4 Å²	39.4	40%	0.397	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-59.7	-23.4	-179	-67	-162.8	176.4	0	0	113.2	D219 P223 K227 F232	E217-D219 VanDerWaalsContact C-N 3.27Å; E217-D219 PolarHBondContact O-N 3.13Å; E217-P223 HydrophobicContact CB-CB 3.8Å; E217-P223 HydrophobicContact CB-CG 4.05Å; E217-P223 HydrophobicContact CG-CB 3.69Å; E217-P223 HydrophobicContact CG-CG 4.32Å; E217-K227 VanDerWaalsContact OE1-CE 3.29Å; E217-K227 WeakPolarHBondContact OE1-CE 3.27Å; E217-K227 IonicContact OE1-NZ 3.37Å; E217-K227 PolarHBondContact OE1-NZ 3.43Å; E217-F232 HydrophobicContact CB-CZ 4.45Å; E217-F232 HydrophobicContact CG-CE1 4.41Å; E217-F232 HydrophobicContact CG-CZ 3.88Å
218	I	98.8	Very high	98.5	Very high	52 Å²	52	47.7 Å²	47.7	27%	0.267	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-72	-18.8	174.6	-168.5	167.3	0	0	0	113.1	E216 L220 P261	E216-I218 HydrophobicContact CB-CG2 4.08Å; E216-I218 PolarHBondContact O-N 2.91Å; E216-I218 VanDerWaalsContact O-N 3.08Å; I218-L220 VanDerWaalsContact C-N 3.34Å; I218-P261 HydrophobicContact CD1-CB 4.44Å; I218-P261 HydrophobicContact CG1-CB 4.14Å
219	D	98.9	Very high	98.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.011	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-87.1	1.2	-174.8	-64.7	-56.7	0	0	0	113.6	A214 E216 E217 R254 W280 R281	A214-D219 HydrophobicContact CB-CB 3.8Å; E216-D219 PolarHBondContact N-OD2 3.18Å; E216-D219 WeakPolarHBondContact O-CB 3.45Å; E216-D219 PolarHBondContact O-N 3.44Å; E217-D219 VanDerWaalsContact C-N 3.27Å; E217-D219 PolarHBondContact O-N 3.13Å; D219-R254 IonicContact OD1-CZ 3.83Å; D219-R254 IonicContact OD1-NE 2.73Å; D219-R254 IonicContact OD1-NH2 3.36Å; D219-R254 PolarHBondContact OD1-NH2 2.96Å; D219-W280 CarbonylContact O-C 3.54Å; D219-W280 WeakPolarHBondContact O-CA 3.43Å; D219-R281 HydrophobicContact CB-CB 4.22Å; D219-R281 PolarHBondContact O-N 3.16Å; D219-R281 IonicContact OD1-CZ 2.71Å; D219-R281 VanDerWaalsContact OD1-CZ 3.23Å; D219-R281 IonicContact OD1-NE 2.92Å; D219-R281 PolarHBondContact OD1-NE 3.34Å; D219-R281 IonicContact OD1-NH2 3.24Å; D219-R281 PolarHBondContact OD1-NH2 2.94Å; D219-R281 IonicContact OD2-NH2 3.6Å
220	L	98.8	Very high	98.4	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-149.9	153.3	174.7	76	177.4	0	0	0	112.5	A214 I218 N222 P223 N226 F232 G279 W280	A214-L220 HydrophobicContact CB-CB 4.16Å; A214-L220 HydrophobicContact CB-CD1 4.48Å; A214-L220 HydrophobicContact CB-CD2 4.38Å; I218-L220 VanDerWaalsContact C-N 3.34Å; L220-N222 PolarHBondContact O-N 2.92Å; L220-P223 HydrophobicContact CD2-CB 3.82Å; L220-P223 HydrophobicContact CG-CB 4.4Å; L220-N226 HydrophobicContact CD1-CB 3.95Å; L220-F232 HydrophobicContact CD1-CB 3.89Å; L220-F232 HydrophobicContact CD1-CD1 3.83Å; L220-F232 HydrophobicContact CD1-CD2 3.72Å; L220-F232 HydrophobicContact CD1-CE1 4.3Å; L220-F232 HydrophobicContact CD1-CE2 4.21Å; L220-F232 HydrophobicContact CD1-CG 3.54Å; L220-F232 HydrophobicContact CD1-CZ 4.5Å; L220-F232 HydrophobicContact CD2-CD1 4.33Å; L220-F232 HydrophobicContact CD2-CD2 3.75Å; L220-F232 HydrophobicContact CD2-CE1 4.01Å; L220-F232 HydrophobicContact CD2-CE2 3.38Å; L220-F232 HydrophobicContact CD2-CG 4.24Å; L220-F232 HydrophobicContact CD2-CZ 3.55Å; L220-F232 HydrophobicContact CG-CD2 4.39Å; L220-F232 HydrophobicContact CG-CE2 4.46Å; L220-G279 WeakPolarHBondContact CA-O 3.39Å; L220-W280 HydrophobicContact CB-CB 4.34Å; L220-W280 HydrophobicContact CB-CD2 3.93Å; L220-W280 HydrophobicContact CB-CE3 4.05Å; L220-W280 HydrophobicContact CB-CG 4.1Å; L220-W280 HydrophobicContact CD1-CD2 4Å; L220-W280 HydrophobicContact CD1-CE3 3.58Å; L220-W280 HydrophobicContact CD1-CH2 3.87Å; L220-W280 HydrophobicContact CD1-CZ2 4.22Å; L220-W280 HydrophobicContact CD1-CZ3 3.55Å; L220-W280 HydrophobicContact CG-CE3 4.47Å
221	R	98.4	Very high	98.4	Very high	89 Å²	89	52.6 Å²	52.6	34%	0.336	27%	0.266	S	S	.	.	S	Bend	trans	-67.1	-35.5	-175	-175	66.7	-172.4	103.9	-10.3	114.1	P223 Y264 V278 G279	R221-P223 VanDerWaalsContact C-CD 3.45Å; R221-P223 WeakPolarHBondContact O-CD 3.44Å; R221-Y264 WeakPolarHBondContact CA-OH 3.47Å; R221-Y264 HydrophobicContact CB-CE2 4.02Å; R221-Y264 PolarHBondContact N-OH 3.36Å; R221-V278 HydrophobicContact CB-CB 4.49Å; R221-V278 HydrophobicContact CB-CG1 4.09Å; R221-V278 HydrophobicContact CG-CB 4.31Å; R221-V278 HydrophobicContact CG-CG1 4.07Å; R221-V278 HydrophobicContact CG-CG2 4.26Å; R221-G279 PolarHBondContact N-O 3.11Å
222	N	98.1	Very high	98.4	Very high	82 Å²	82	52.4 Å²	52.4	44%	0.439	27%	0.265	S	S	.	.			trans	-125.8	63.2	-168.5	-68.3	-30.9	0	0	0	111.8	L220 K224 G225 N226 V278	L220-N222 PolarHBondContact O-N 2.92Å; N222-K224 PolarHBondContact O-N 3.24Å; N222-G225 PolarHBondContact O-N 3.03Å; N222-N226 PolarHBondContact O-N 2.83Å; N222-N226 PolarHBondContact O-ND2 2.93Å; N222-V278 WeakPolarHBondContact ND2-CG1 3.17Å
223	P	98.2	Very high	98.4	Very high	22 Å²	22	52.1 Å²	52.1	14%	0.143	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-44.6	-175.9	20.9	-32.1	0	0	0	112.5	E217 L220 R221 G225 N226 K227 F232	E217-P223 HydrophobicContact CB-CB 3.8Å; E217-P223 HydrophobicContact CB-CG 4.05Å; E217-P223 HydrophobicContact CG-CB 3.69Å; E217-P223 HydrophobicContact CG-CG 4.32Å; L220-P223 HydrophobicContact CD2-CB 3.82Å; L220-P223 HydrophobicContact CG-CB 4.4Å; R221-P223 VanDerWaalsContact C-CD 3.45Å; R221-P223 WeakPolarHBondContact O-CD 3.44Å; P223-G225 VanDerWaalsContact C-N 3.32Å; P223-G225 PolarHBondContact O-N 3.46Å; P223-N226 PolarHBondContact O-N 2.96Å; P223-N226 VanDerWaalsContact O-N 3.15Å; P223-K227 WeakPolarHBondContact O-CG 3.39Å; P223-K227 PolarHBondContact O-N 3.21Å; P223-F232 HydrophobicContact CB-CE1 3.71Å; P223-F232 HydrophobicContact CB-CZ 4.01Å
224	K	97.3	Very high	98.3	Very high	188 Å²	188	55.7 Å²	55.7	82%	0.817	29%	0.287	S	S	*	.	H	α-helix	trans	-57.2	-41	-176.8	-66.9	-177.8	-179.6	178	0	113.3	N222	N222-K224 PolarHBondContact O-N 3.24Å
225	G	97.3	Very high	98.3	Very high	63 Å²	63	59.4 Å²	59.4	65%	0.649	30%	0.304	S	S	*	.	H	α-helix	trans	-82.3	-12.6	-177.5	0	0	0	0	0	114.4	N222 P223	N222-G225 PolarHBondContact O-N 3.03Å; P223-G225 VanDerWaalsContact C-N 3.32Å; P223-G225 PolarHBondContact O-N 3.46Å
226	N	98.3	Very high	98.3	Very high	24 Å²	24	57.8 Å²	57.8	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-112.4	0.2	-169.7	-76.3	-60.8	0	0	0	114.9	L220 N222 P223 K228 N229 F232 W280	L220-N226 HydrophobicContact CD1-CB 3.95Å; N222-N226 PolarHBondContact O-N 2.83Å; N222-N226 PolarHBondContact O-ND2 2.93Å; P223-N226 PolarHBondContact O-N 2.96Å; P223-N226 VanDerWaalsContact O-N 3.15Å; N226-K228 PolarHBondContact O-N 2.93Å; N226-N229 HydrophobicContact CB-CB 4.47Å; N226-N229 PolarHBondContact O-N 3.22Å; N226-N229 PolarHBondContact OD1-ND2 3.1Å; N226-F232 HydrophobicContact CB-CB 4.26Å; N226-F232 HydrophobicContact CB-CD1 4.37Å; N226-W280 HydrophobicContact CB-CH2 3.51Å; N226-W280 HydrophobicContact CB-CZ2 3.92Å; N226-W280 HydrophobicContact CB-CZ3 4.38Å; N226-W280 WeakPolarHBondContact OD1-CH2 3.38Å; N226-W280 VanDerWaalsContact OD1-CZ2 3.3Å; N226-W280 WeakPolarHBondContact OD1-CZ2 3.33Å
227	K	97.5	Very high	98.3	Very high	89 Å²	89	56.5 Å²	56.5	39%	0.387	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-13.2	179.7	-63.8	-171.4	175.9	-173.8	0	115.2	E217 P223 F232	E217-K227 VanDerWaalsContact OE1-CE 3.29Å; E217-K227 WeakPolarHBondContact OE1-CE 3.27Å; E217-K227 IonicContact OE1-NZ 3.37Å; E217-K227 PolarHBondContact OE1-NZ 3.43Å; P223-K227 WeakPolarHBondContact O-CG 3.39Å; P223-K227 PolarHBondContact O-N 3.21Å; K227-F232 HydrophobicContact CG-CD1 4.09Å; K227-F232 HydrophobicContact CG-CE1 4.04Å
228	K	97.4	Very high	98.3	Very high	175 Å²	175	58.2 Å²	58.2	76%	0.761	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	12.9	177.6	-60.5	-174.5	179.3	-176	0	113	N226	N226-K228 PolarHBondContact O-N 2.93Å
229	N	98.1	Very high	98.3	Very high	78 Å²	78	56.1 Å²	56.1	42%	0.417	29%	0.287	S	S	.	.	S	Bend	trans	-108	151.7	177.2	-69	-18.2	0	0	0	109.8	N226 G231 F232 T233	N226-N229 HydrophobicContact CB-CB 4.47Å; N226-N229 PolarHBondContact O-N 3.22Å; N226-N229 PolarHBondContact OD1-ND2 3.1Å; N229-G231 PolarHBondContact O-N 2.85Å; N229-F232 PolarHBondContact O-N 3.34Å; N229-F232 VanDerWaalsContact O-N 3.15Å; N229-T233 WeakPolarHBondContact O-CG2 3.42Å; N229-T233 PolarHBondContact O-N 3.19Å
230	A	98.4	Very high	98.3	Very high	23 Å²	23	56.2 Å²	56.2	19%	0.19	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	138.2	174.3	0	0	0	0	0	110.6	A175 L179	A175-A230 HydrophobicContact CB-CB 3.84Å; L179-A230 HydrophobicContact CD2-CB 4.31Å
231	G	98.3	Very high	98.3	Very high	3 Å²	3	57.3 Å²	57.3	3%	0.031	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-6.5	-176.2	0	0	0	0	0	115.3	N212 V213 A214 N229 E236	N212-G231 WeakPolarHBondContact O-CA 3.46Å; V213-G231 CarbonylContact C-O 3.51Å; V213-G231 WeakPolarHBondContact CA-O 3.49Å; A214-G231 PolarHBondContact N-O 2.92Å; N229-G231 PolarHBondContact O-N 2.85Å; G231-E236 VanDerWaalsContact N-CD 3.25Å; G231-E236 PolarHBondContact N-OE1 3.19Å; G231-E236 PolarHBondContact N-OE2 2.88Å
232	F	98.8	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-143.8	20.5	174.2	-155.8	-117.5	0	0	0	114	A214 E217 L220 P223 N226 K227 N229 R237 W280	A214-F232 HydrophobicContact CB-CD2 3.96Å; A214-F232 HydrophobicContact CB-CE2 4.42Å; A214-F232 VanDerWaalsContact O-CD2 3.22Å; A214-F232 WeakPolarHBondContact O-CD2 3.46Å; A214-F232 WeakPolarHBondContact O-CE2 3.33Å; E217-F232 HydrophobicContact CB-CZ 4.45Å; E217-F232 HydrophobicContact CG-CE1 4.41Å; E217-F232 HydrophobicContact CG-CZ 3.88Å; L220-F232 HydrophobicContact CD1-CB 3.89Å; L220-F232 HydrophobicContact CD1-CD1 3.83Å; L220-F232 HydrophobicContact CD1-CD2 3.72Å; L220-F232 HydrophobicContact CD1-CE1 4.3Å; L220-F232 HydrophobicContact CD1-CE2 4.21Å; L220-F232 HydrophobicContact CD1-CG 3.54Å; L220-F232 HydrophobicContact CD1-CZ 4.5Å; L220-F232 HydrophobicContact CD2-CD1 4.33Å; L220-F232 HydrophobicContact CD2-CD2 3.75Å; L220-F232 HydrophobicContact CD2-CE1 4.01Å; L220-F232 HydrophobicContact CD2-CE2 3.38Å; L220-F232 HydrophobicContact CD2-CG 4.24Å; L220-F232 HydrophobicContact CD2-CZ 3.55Å; L220-F232 HydrophobicContact CG-CD2 4.39Å; L220-F232 HydrophobicContact CG-CE2 4.46Å; P223-F232 HydrophobicContact CB-CE1 3.71Å; P223-F232 HydrophobicContact CB-CZ 4.01Å; N226-F232 HydrophobicContact CB-CB 4.26Å; N226-F232 HydrophobicContact CB-CD1 4.37Å; K227-F232 HydrophobicContact CG-CD1 4.09Å; K227-F232 HydrophobicContact CG-CE1 4.04Å; N229-F232 PolarHBondContact O-N 3.34Å; N229-F232 VanDerWaalsContact O-N 3.15Å; F232-R237 HydrophobicContact CD2-CG 4.23Å; F232-R237 HydrophobicContact CE2-CG 4.37Å; F232-W280 HydrophobicContact CB-CH2 4.21Å; F232-W280 HydrophobicContact CB-CZ3 3.69Å
233	T	98.8	Very high	98.4	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	28%	0.28	C	S	.	.	S	Bend	trans	-66.5	152.1	170.5	64.7	0	0	0	0	110.7	L179 L182 N229 Q235 E236 R237	L179-T233 HydrophobicContact CD1-CG2 3.93Å; L179-T233 HydrophobicContact CD2-CG2 3.6Å; L179-T233 HydrophobicContact CG-CG2 4.44Å; L182-T233 HydrophobicContact CD1-CG2 4.49Å; L182-T233 HydrophobicContact CD2-CG2 4.36Å; N229-T233 WeakPolarHBondContact O-CG2 3.42Å; N229-T233 PolarHBondContact O-N 3.19Å; T233-Q235 PolarHBondContact O-N 2.93Å; T233-E236 WeakPolarHBondContact CB-OE2 3.49Å; T233-E236 WeakPolarHBondContact CG2-OE2 3.4Å; T233-E236 PolarHBondContact N-OE2 3.3Å; T233-E236 PolarHBondContact O-N 3.42Å; T233-E236 WeakPolarHBondContact OG1-CB 3.39Å; T233-E236 VanDerWaalsContact OG1-CG 3.27Å; T233-E236 WeakPolarHBondContact OG1-CG 3.17Å; T233-E236 PolarHBondContact OG1-N 3.33Å; T233-E236 PolarHBondContact OG1-OE2 3.34Å; T233-R237 WeakPolarHBondContact O-CG 3.37Å; T233-R237 PolarHBondContact O-N 3.44Å; T233-R237 VanDerWaalsContact O-N 3.14Å
234	P	98.7	Very high	98.4	Very high	75 Å²	75	53.1 Å²	53.1	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-53.2	-37.5	172.4	-27.2	34.9	0	0	0	113.1	Q238	P234-Q238 VanDerWaalsContact O-CB 3.23Å; P234-Q238 WeakPolarHBondContact O-CB 3.27Å; P234-Q238 PolarHBondContact O-N 3.12Å
235	Q	98.8	Very high	98.5	Very high	77 Å²	77	51.5 Å²	51.5	36%	0.36	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-48.6	-178.5	-65.1	88.1	-32.6	0	0	112.2	L182 Q186 T233 R237 Q238 G239	L182-Q235 HydrophobicContact CD1-CB 4.35Å; Q186-Q235 HydrophobicContact CG-CB 4.2Å; T233-Q235 PolarHBondContact O-N 2.93Å; Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 PolarHBondContact O-N 2.92Å; Q235-Q238 PolarHBondContact O-N 3.03Å; Q235-G239 PolarHBondContact O-N 3.06Å
236	E	98.9	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-42	177.6	-70.3	163.9	119.9	0	0	110.9	A175 L182 R185 V213 G231 T233 G239 F240	A175-E236 VanDerWaalsContact CB-OE1 3.32Å; A175-E236 WeakPolarHBondContact CB-OE1 3.44Å; L182-E236 HydrophobicContact CD1-CG 3.97Å; R185-E236 HydrophobicContact CG-CG 4.05Å; R185-E236 IonicContact NH1-OE1 3.61Å; R185-E236 PolarHBondContact NH1-OE1 2.82Å; V213-E236 HydrophobicContact CB-CB 4.29Å; V213-E236 HydrophobicContact CG2-CB 3.8Å; G231-E236 VanDerWaalsContact N-CD 3.25Å; G231-E236 PolarHBondContact N-OE1 3.19Å; G231-E236 PolarHBondContact N-OE2 2.88Å; T233-E236 WeakPolarHBondContact CB-OE2 3.49Å; T233-E236 WeakPolarHBondContact CG2-OE2 3.4Å; T233-E236 PolarHBondContact N-OE2 3.3Å; T233-E236 PolarHBondContact O-N 3.42Å; T233-E236 WeakPolarHBondContact OG1-CB 3.39Å; T233-E236 VanDerWaalsContact OG1-CG 3.27Å; T233-E236 WeakPolarHBondContact OG1-CG 3.17Å; T233-E236 PolarHBondContact OG1-N 3.33Å; T233-E236 PolarHBondContact OG1-OE2 3.34Å; E236-G239 PolarHBondContact O-N 3.48Å; E236-F240 PolarHBondContact O-N 2.88Å
237	R	98.9	Very high	98.5	Very high	55 Å²	55	49 Å²	49	21%	0.208	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-43.8	177.8	-68.3	173.3	64	-148.8	-3.9	112	V213 A214 H215 E216 F232 T233 Q235 F240 G241	V213-R237 HydrophobicContact CG2-CG 4.22Å; A214-R237 WeakPolarHBondContact O-CG 3.45Å; H215-R237 WeakPolarHBondContact O-CG 3.31Å; H215-R237 PolarHBondContact O-NE 2.87Å; E216-R237 IonicContact OE2-CZ 3.8Å; E216-R237 IonicContact OE2-NH2 3.84Å; E216-R237 PolarHBondContact OE2-NH2 3.48Å; F232-R237 HydrophobicContact CD2-CG 4.23Å; F232-R237 HydrophobicContact CE2-CG 4.37Å; T233-R237 WeakPolarHBondContact O-CG 3.37Å; T233-R237 PolarHBondContact O-N 3.44Å; T233-R237 VanDerWaalsContact O-N 3.14Å; Q235-R237 VanDerWaalsContact C-N 3.34Å; Q235-R237 PolarHBondContact O-N 2.92Å; R237-F240 PolarHBondContact O-N 3.13Å; R237-G241 PolarHBondContact O-N 2.95Å
238	Q	98.8	Very high	98.4	Very high	120 Å²	120	48.2 Å²	48.2	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-61.9	-45.4	174.8	-179.9	-179	-17.7	0	0	110.9	P234 Q235 F240 G241 E242	P234-Q238 VanDerWaalsContact O-CB 3.23Å; P234-Q238 WeakPolarHBondContact O-CB 3.27Å; P234-Q238 PolarHBondContact O-N 3.12Å; Q235-Q238 PolarHBondContact O-N 3.03Å; Q238-F240 VanDerWaalsContact C-N 3.27Å; Q238-F240 PolarHBondContact O-N 2.89Å; Q238-G241 PolarHBondContact O-N 2.86Å; Q238-G241 VanDerWaalsContact O-N 3.13Å; Q238-E242 HydrophobicContact CG-CG 4.34Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.31Å; Q238-E242 PolarHBondContact NE2-OE1 3.47Å; Q238-E242 WeakPolarHBondContact O-CG 3.44Å; Q238-E242 PolarHBondContact O-N 2.98Å
239	G	98.8	Very high	98.5	Very high	8 Å²	8	40 Å²	40	8%	0.082	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-40.1	176.8	0	0	0	0	0	112.6	Q235 E236 E242 L243	Q235-G239 PolarHBondContact O-N 3.06Å; E236-G239 PolarHBondContact O-N 3.48Å; G239-E242 PolarHBondContact O-N 3.21Å; G239-L243 WeakPolarHBondContact O-CB 3.48Å; G239-L243 PolarHBondContact O-N 3.02Å
240	F	98.9	Very high	98.5	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.022	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-46.5	173.4	-168.7	-86.7	0	0	0	112.5	L211 V213 H215 E236 R237 Q238 E242 L243 L244 Y284 L286	L211-F240 HydrophobicContact CB-CE2 4.44Å; L211-F240 HydrophobicContact CD1-CD2 4.35Å; L211-F240 HydrophobicContact CD1-CE2 3.65Å; V213-F240 HydrophobicContact CG1-CB 4Å; V213-F240 HydrophobicContact CG1-CD2 3.39Å; V213-F240 HydrophobicContact CG1-CE2 4.14Å; V213-F240 HydrophobicContact CG1-CG 4.01Å; H215-F240 HydrophobicContact CB-CD1 3.66Å; H215-F240 HydrophobicContact CB-CE1 3.69Å; H215-F240 HydrophobicContact CB-CG 4.31Å; H215-F240 HydrophobicContact CB-CZ 4.39Å; H215-F240 AromaticContact CD2-CD1 3.44Å; H215-F240 VanDerWaalsContact CD2-CD1 3.44Å; H215-F240 WeakPolarHBondContact CD2-CD1 3.15Å; H215-F240 AromaticContact CE1-CD1 3.97Å; H215-F240 AromaticContact CG-CD1 3.32Å; H215-F240 AromaticContact CG-CE1 3.58Å; H215-F240 AromaticContact ND1-CD1 3.67Å; H215-F240 AromaticContact ND1-CE1 3.63Å; H215-F240 AromaticContact NE2-CD1 3.84Å; E236-F240 PolarHBondContact O-N 2.88Å; R237-F240 PolarHBondContact O-N 3.13Å; Q238-F240 VanDerWaalsContact C-N 3.27Å; Q238-F240 PolarHBondContact O-N 2.89Å; F240-E242 VanDerWaalsContact C-N 3.34Å; F240-E242 PolarHBondContact O-N 2.81Å; F240-L243 WeakPolarHBondContact O-CB 3.35Å; F240-L243 PolarHBondContact O-N 2.96Å; F240-L243 VanDerWaalsContact O-N 3.17Å; F240-L244 HydrophobicContact CD1-CD1 3.96Å; F240-L244 HydrophobicContact CD1-CG 4.07Å; F240-L244 HydrophobicContact CE1-CD1 3.65Å; F240-L244 HydrophobicContact CE1-CD2 4.12Å; F240-L244 HydrophobicContact CE1-CG 3.92Å; F240-L244 HydrophobicContact CZ-CD2 4.5Å; F240-L244 WeakPolarHBondContact O-CG 3.29Å; F240-L244 PolarHBondContact O-N 2.92Å; F240-Y284 HydrophobicContact CE1-CE1 4.34Å; F240-Y284 HydrophobicContact CE2-CD1 4.07Å; F240-Y284 HydrophobicContact CE2-CD2 4.16Å; F240-Y284 AromaticContact CE2-CE1 3.89Å; F240-Y284 HydrophobicContact CE2-CE1 3.89Å; F240-Y284 HydrophobicContact CE2-CE2 4.02Å; F240-Y284 HydrophobicContact CE2-CG 4.2Å; F240-Y284 AromaticContact CE2-CZ 3.9Å; F240-Y284 AromaticContact CZ-CD1 3.64Å; F240-Y284 HydrophobicContact CZ-CD1 3.64Å; F240-Y284 AromaticContact CZ-CE1 3.44Å; F240-Y284 HydrophobicContact CZ-CE1 3.44Å; F240-Y284 VanDerWaalsContact CZ-CE1 3.44Å; F240-Y284 HydrophobicContact CZ-CE2 4.41Å; F240-Y284 HydrophobicContact CZ-CG 4.2Å; F240-Y284 AromaticContact CZ-CZ 3.89Å; F240-L286 HydrophobicContact CE2-CD1 4.14Å; F240-L286 HydrophobicContact CZ-CD1 4.14Å; F240-L286 HydrophobicContact CZ-CD2 3.99Å
241	G	98.8	Very high	98.6	Very high	25 Å²	25	36.3 Å²	36.3	26%	0.258	20%	0.199	S	C	.	.	H	α-helix	trans	-59.8	-42.5	175.6	0	0	0	0	0	112.7	R237 Q238 L243 L244 Q245	R237-G241 PolarHBondContact O-N 2.95Å; Q238-G241 PolarHBondContact O-N 2.86Å; Q238-G241 VanDerWaalsContact O-N 3.13Å; G241-L243 VanDerWaalsContact C-N 3.34Å; G241-L243 PolarHBondContact O-N 2.88Å; G241-L244 PolarHBondContact O-N 3.29Å; G241-Q245 WeakPolarHBondContact O-CB 3.39Å; G241-Q245 PolarHBondContact O-N 2.97Å
242	E	98.8	Very high	98.6	Very high	62 Å²	62	36.2 Å²	36.2	29%	0.29	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-37.5	174.4	-71.8	172.2	-174.8	0	0	112.2	R193 Q238 G239 F240 Q245 A246	R193-E242 WeakPolarHBondContact CD-O 3.48Å; R193-E242 IonicContact CZ-OE2 3.64Å; R193-E242 IonicContact NH1-OE2 3.24Å; R193-E242 PolarHBondContact NH1-OE2 3.5Å; R193-E242 IonicContact NH2-OE2 2.78Å; R193-E242 PolarHBondContact NH2-OE2 2.81Å; Q238-E242 HydrophobicContact CG-CG 4.34Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.31Å; Q238-E242 PolarHBondContact NE2-OE1 3.47Å; Q238-E242 WeakPolarHBondContact O-CG 3.44Å; Q238-E242 PolarHBondContact O-N 2.98Å; G239-E242 PolarHBondContact O-N 3.21Å; F240-E242 VanDerWaalsContact C-N 3.34Å; F240-E242 PolarHBondContact O-N 2.81Å; E242-Q245 PolarHBondContact O-N 2.96Å; E242-A246 WeakPolarHBondContact O-CB 3.08Å; E242-A246 PolarHBondContact O-N 2.82Å
243	L	98.8	Very high	98.6	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.068	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-50.2	173.5	170.9	64.1	0	0	0	111	R193 L196 L207 G239 F240 G241 Q245 V247 L249 L286	R193-L243 HydrophobicContact CB-CD1 4.32Å; R193-L243 HydrophobicContact CG-CD1 4.34Å; L196-L243 HydrophobicContact CD1-CD1 3.64Å; L207-L243 HydrophobicContact CD2-CD2 4.11Å; G239-L243 WeakPolarHBondContact O-CB 3.48Å; G239-L243 PolarHBondContact O-N 3.02Å; F240-L243 WeakPolarHBondContact O-CB 3.35Å; F240-L243 PolarHBondContact O-N 2.96Å; F240-L243 VanDerWaalsContact O-N 3.17Å; G241-L243 VanDerWaalsContact C-N 3.34Å; G241-L243 PolarHBondContact O-N 2.88Å; L243-Q245 VanDerWaalsContact C-N 3.28Å; L243-Q245 PolarHBondContact O-N 3.02Å; L243-V247 HydrophobicContact CD1-CB 4.48Å; L243-V247 HydrophobicContact CD1-CG2 3.8Å; L243-V247 PolarHBondContact O-N 2.85Å; L243-L249 HydrophobicContact CD1-CD1 4.3Å; L243-L249 HydrophobicContact CG-CD1 4.5Å; L243-L286 HydrophobicContact CD2-CD1 3.95Å
244	L	98.8	Very high	98.6	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-40.1	177.6	-64.2	-175.1	0	0	0	111.7	F240 G241 P248 L249 L286	F240-L244 HydrophobicContact CD1-CD1 3.96Å; F240-L244 HydrophobicContact CD1-CG 4.07Å; F240-L244 HydrophobicContact CE1-CD1 3.65Å; F240-L244 HydrophobicContact CE1-CD2 4.12Å; F240-L244 HydrophobicContact CE1-CG 3.92Å; F240-L244 HydrophobicContact CZ-CD2 4.5Å; F240-L244 WeakPolarHBondContact O-CG 3.29Å; F240-L244 PolarHBondContact O-N 2.92Å; G241-L244 PolarHBondContact O-N 3.29Å; L244-P248 CarbonylContact O-C 3.55Å; L244-P248 WeakPolarHBondContact O-CA 3.46Å; L244-L249 HydrophobicContact CD2-CB 4.13Å; L244-L249 WeakPolarHBondContact CD2-O 3.4Å; L244-L249 PolarHBondContact O-N 3.48Å; L244-L286 HydrophobicContact CD2-CD1 3.87Å; L244-L286 HydrophobicContact CD2-CD2 3.97Å; L244-L286 HydrophobicContact CD2-CG 4.43Å
245	Q	98.7	Very high	98.6	Very high	154 Å²	154	39.4 Å²	39.4	72%	0.72	20%	0.204	S	C	*	.	H	α-helix	trans	-78.1	-43.3	-177	-168.8	-132.7	-3.1	0	0	113.4	G241 E242 L243 P248	G241-Q245 WeakPolarHBondContact O-CB 3.39Å; G241-Q245 PolarHBondContact O-N 2.97Å; E242-Q245 PolarHBondContact O-N 2.96Å; L243-Q245 VanDerWaalsContact C-N 3.28Å; L243-Q245 PolarHBondContact O-N 3.02Å; Q245-P248 WeakPolarHBondContact O-CD 3.09Å
246	A	98.2	Very high	98.6	Very high	29 Å²	29	38.5 Å²	38.5	24%	0.24	20%	0.201	C	C	.	.	H	α-helix	trans	-81.6	-28.4	-170.5	0	0	0	0	0	113.8	R193 E242 P248	R193-A246 HydrophobicContact CG-CB 4Å; E242-A246 WeakPolarHBondContact O-CB 3.08Å; E242-A246 PolarHBondContact O-N 2.82Å; A246-P248 WeakPolarHBondContact O-CD 3.39Å
247	V	98.2	Very high	98.6	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.042	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.2	175	-171.9	0	0	0	0	112.1	R193 L196 K197 A200 L205 L243 L249	R193-V247 HydrophobicContact CG-CG2 4.18Å; L196-V247 HydrophobicContact CB-CG1 4.18Å; L196-V247 HydrophobicContact CB-CG2 4Å; K197-V247 HydrophobicContact CB-CG2 4.12Å; A200-V247 HydrophobicContact CB-CG1 3.68Å; L205-V247 HydrophobicContact CD2-CG1 4.13Å; L243-V247 HydrophobicContact CD1-CB 4.48Å; L243-V247 HydrophobicContact CD1-CG2 3.8Å; L243-V247 PolarHBondContact O-N 2.85Å; V247-L249 HydrophobicContact CB-CD1 4.05Å; V247-L249 HydrophobicContact CB-CG 3.9Å; V247-L249 HydrophobicContact CG1-CD1 3.84Å; V247-L249 HydrophobicContact CG1-CD2 4.12Å; V247-L249 HydrophobicContact CG1-CG 3.71Å
248	P	95.3	Very high	98.6	Very high	71 Å²	71	41.3 Å²	41.3	46%	0.461	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	16.6	79.4	-146.7	11.8	-32.4	0	0	0	115.8	L244 Q245 A246 H289	L244-P248 CarbonylContact O-C 3.55Å; L244-P248 WeakPolarHBondContact O-CA 3.46Å; Q245-P248 WeakPolarHBondContact O-CD 3.09Å; A246-P248 WeakPolarHBondContact O-CD 3.39Å; P248-H289 VanDerWaalsContact C-ND1 3.34Å; P248-H289 PolarHBondContact O-CE1 3Å; P248-H289 PolarHBondContact O-ND1 2.82Å
249	L	98.8	Very high	98.6	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.4	171.9	-64	173.1	0	0	0	111.2	L205 L207 L243 L244 V247 L286 L287	L205-L249 HydrophobicContact CB-CD2 4.48Å; L205-L249 HydrophobicContact CD2-CD1 4.23Å; L205-L249 HydrophobicContact CD2-CD2 4.12Å; L205-L249 HydrophobicContact CG-CD2 4.41Å; L207-L249 HydrophobicContact CD2-CD1 4.33Å; L243-L249 HydrophobicContact CD1-CD1 4.3Å; L243-L249 HydrophobicContact CG-CD1 4.5Å; L244-L249 HydrophobicContact CD2-CB 4.13Å; L244-L249 WeakPolarHBondContact CD2-O 3.4Å; L244-L249 PolarHBondContact O-N 3.48Å; V247-L249 HydrophobicContact CB-CD1 4.05Å; V247-L249 HydrophobicContact CB-CG 3.9Å; V247-L249 HydrophobicContact CG1-CD1 3.84Å; V247-L249 HydrophobicContact CG1-CD2 4.12Å; V247-L249 HydrophobicContact CG1-CG 3.71Å; L249-L286 HydrophobicContact CB-CB 4.15Å; L249-L286 HydrophobicContact CD1-CB 4.12Å; L249-L287 CarbonylContact C-O 3.58Å; L249-L287 VanDerWaalsContact CA-O 3.31Å; L249-L287 WeakPolarHBondContact CA-O 3.28Å; L249-L287 VanDerWaalsContact CD2-C 3.44Å
250	A	98.9	Very high	98.6	Very high	12 Å²	12	44 Å²	44	10%	0.099	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.9	173.3	0	0	0	0	0	109.9	S252 L286 L287 L292	A250-S252 PolarHBondContact O-N 2.95Å; A250-L286 CarbonylContact O-C 3.52Å; A250-L286 WeakPolarHBondContact O-CA 3.35Å; A250-L287 PolarHBondContact N-O 2.74Å; A250-L287 PolarHBondContact O-N 2.87Å; A250-L292 HydrophobicContact CB-CD1 4.12Å; A250-L292 HydrophobicContact CB-CD2 3.86Å; A250-L292 HydrophobicContact CB-CG 4.37Å
251	D	98.9	Very high	98.6	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.059	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	109.4	168.2	-179.8	-27	0	0	0	109.5	F253 R254 H255 R281 Y284 L286	D251-F253 VanDerWaalsContact C-N 3.34Å; D251-F253 PolarHBondContact O-N 3.28Å; D251-F253 PolarHBondContact OD1-N 3.08Å; D251-R254 HydrophobicContact CB-CB 4.04Å; D251-R254 PolarHBondContact O-N 3.38Å; D251-R254 PolarHBondContact OD1-N 3.27Å; D251-H255 WeakPolarHBondContact O-CB 3.39Å; D251-H255 PolarHBondContact O-N 3.19Å; D251-R281 IonicContact OD1-CZ 3.89Å; D251-R281 IonicContact OD1-NH1 2.67Å; D251-R281 PolarHBondContact OD1-NH1 3.37Å; D251-R281 IonicContact OD1-NH2 3.23Å; D251-R281 IonicContact OD2-CZ 3.58Å; D251-R281 VanDerWaalsContact OD2-CZ 3.24Å; D251-R281 IonicContact OD2-NH1 3.91Å; D251-R281 PolarHBondContact OD2-NH1 3.37Å; D251-R281 IonicContact OD2-NH2 2.75Å; D251-R281 PolarHBondContact OD2-NH2 3.12Å; D251-Y284 WeakPolarHBondContact OD2-CD1 3.29Å; D251-Y284 WeakPolarHBondContact OD2-CE1 3.45Å; D251-L286 HydrophobicContact CB-CD2 3.91Å
252	S	98.9	Very high	98.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-38.9	-171.9	61.4	0	0	0	0	112.7	A250 L256 F285 S298	A250-S252 PolarHBondContact O-N 2.95Å; S252-L256 WeakPolarHBondContact O-CG 3.05Å; S252-L256 PolarHBondContact O-N 2.96Å; S252-F285 PolarHBondContact N-O 2.81Å; S252-F285 VanDerWaalsContact OG-CB 3.29Å; S252-F285 WeakPolarHBondContact OG-CB 3.36Å; S252-F285 PolarHBondContact OG-O 2.93Å; S252-S298 VanDerWaalsContact OG-CB 3.31Å; S252-S298 WeakPolarHBondContact OG-CB 2.87Å; S252-S298 PolarHBondContact OG-OG 2.98Å
253	F	98.9	Very high	98.5	Very high	5 Å²	5	46 Å²	46	2%	0.022	24%	0.244	C	C	.	.	H	α-helix	trans	-68.3	-48.5	179.1	-178.2	-90.2	0	0	0	110	D251 H255 L256 Y257 A263 S298 I300	D251-F253 VanDerWaalsContact C-N 3.34Å; D251-F253 PolarHBondContact O-N 3.28Å; D251-F253 PolarHBondContact OD1-N 3.08Å; F253-H255 VanDerWaalsContact C-N 3.3Å; F253-H255 PolarHBondContact O-N 3.4Å; F253-L256 PolarHBondContact O-N 3.39Å; F253-Y257 AromaticContact CD2-CD2 3.77Å; F253-Y257 HydrophobicContact CD2-CD2 3.77Å; F253-Y257 HydrophobicContact CD2-CE2 4.3Å; F253-Y257 HydrophobicContact CE1-CD2 4.48Å; F253-Y257 AromaticContact CE2-CD2 3.63Å; F253-Y257 HydrophobicContact CE2-CD2 3.63Å; F253-Y257 HydrophobicContact CE2-CE2 4.19Å; F253-Y257 HydrophobicContact CE2-CG 4.37Å; F253-Y257 HydrophobicContact CG-CD2 4.25Å; F253-Y257 HydrophobicContact CZ-CD2 4Å; F253-Y257 HydrophobicContact CZ-CG 4.31Å; F253-Y257 WeakPolarHBondContact O-CB 3.45Å; F253-Y257 WeakPolarHBondContact O-CD2 3.33Å; F253-Y257 PolarHBondContact O-N 2.92Å; F253-A263 HydrophobicContact CE1-CB 3.77Å; F253-A263 HydrophobicContact CZ-CB 3.5Å; F253-A263 VanDerWaalsContact CZ-CB 3.5Å; F253-S298 WeakPolarHBondContact CD2-O 3.45Å; F253-I300 HydrophobicContact CD2-CD1 3.96Å; F253-I300 HydrophobicContact CD2-CG1 4.02Å; F253-I300 HydrophobicContact CE1-CD1 4.26Å; F253-I300 HydrophobicContact CE2-CD1 3.61Å; F253-I300 HydrophobicContact CE2-CG1 3.86Å; F253-I300 HydrophobicContact CG-CD1 4.44Å; F253-I300 HydrophobicContact CZ-CD1 3.79Å
254	R	98.9	Very high	98.6	Very high	37 Å²	37	45.6 Å²	45.6	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-72.8	-23.8	-177.9	-161.9	60.1	65	-165.4	8.2	112.6	D219 D251 Y257 P258 T260	D219-R254 IonicContact OD1-CZ 3.83Å; D219-R254 IonicContact OD1-NE 2.73Å; D219-R254 IonicContact OD1-NH2 3.36Å; D219-R254 PolarHBondContact OD1-NH2 2.96Å; D251-R254 HydrophobicContact CB-CB 4.04Å; D251-R254 PolarHBondContact O-N 3.38Å; D251-R254 PolarHBondContact OD1-N 3.27Å; R254-Y257 PolarHBondContact NH1-O 3.02Å; R254-P258 WeakPolarHBondContact CD-O 3.36Å; R254-P258 WeakPolarHBondContact O-CA 3.1Å; R254-P258 WeakPolarHBondContact O-CB 3.48Å; R254-P258 VanDerWaalsContact O-N 3.17Å; R254-T260 PolarHBondContact NH1-O 3.4Å
255	H	98.8	Very high	98.6	Very high	103 Å²	103	44.1 Å²	44.1	48%	0.477	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-44.7	170	-179.4	81.5	0	0	0	111.8	D251 F253	D251-H255 WeakPolarHBondContact O-CB 3.39Å; D251-H255 PolarHBondContact O-N 3.19Å; F253-H255 VanDerWaalsContact C-N 3.3Å; F253-H255 PolarHBondContact O-N 3.4Å
256	L	98.9	Very high	98.6	Very high	58 Å²	58	38.6 Å²	38.6	30%	0.304	21%	0.208	S	C	.	.	H	α-helix	trans	-80.4	-35.2	-180	-64.8	171.3	0	0	0	112.8	S252 F253 P258 L295	S252-L256 WeakPolarHBondContact O-CG 3.05Å; S252-L256 PolarHBondContact O-N 2.96Å; F253-L256 PolarHBondContact O-N 3.39Å; L256-P258 WeakPolarHBondContact O-CD 3.5Å; L256-L295 HydrophobicContact CD1-CD1 4.34Å; L256-L295 HydrophobicContact CD1-CD2 3.9Å; L256-L295 HydrophobicContact CD1-CG 4.03Å; L256-L295 HydrophobicContact CD2-CD2 4.18Å; L256-L295 HydrophobicContact CD2-CG 4.47Å; L256-L295 HydrophobicContact CG-CD2 3.91Å; L256-L295 HydrophobicContact CG-CG 4.44Å
257	Y	98.8	Very high	98.6	Very high	44 Å²	44	37.5 Å²	37.5	17%	0.173	20%	0.198	C	C	.	.			trans	-126.5	59.1	-172.3	-52.6	-69.2	0	0	0	111.6	P48 F253 R254 N259 T260 D297	P48-Y257 HydrophobicContact CG-CE1 3.68Å; F253-Y257 AromaticContact CD2-CD2 3.77Å; F253-Y257 HydrophobicContact CD2-CD2 3.77Å; F253-Y257 HydrophobicContact CD2-CE2 4.3Å; F253-Y257 HydrophobicContact CE1-CD2 4.48Å; F253-Y257 AromaticContact CE2-CD2 3.63Å; F253-Y257 HydrophobicContact CE2-CD2 3.63Å; F253-Y257 HydrophobicContact CE2-CE2 4.19Å; F253-Y257 HydrophobicContact CE2-CG 4.37Å; F253-Y257 HydrophobicContact CG-CD2 4.25Å; F253-Y257 HydrophobicContact CZ-CD2 4Å; F253-Y257 HydrophobicContact CZ-CG 4.31Å; F253-Y257 WeakPolarHBondContact O-CB 3.45Å; F253-Y257 WeakPolarHBondContact O-CD2 3.33Å; F253-Y257 PolarHBondContact O-N 2.92Å; R254-Y257 PolarHBondContact NH1-O 3.02Å; Y257-N259 PolarHBondContact O-N 2.98Å; Y257-T260 PolarHBondContact O-N 2.78Å; Y257-D297 WeakPolarHBondContact CE2-OD1 3.44Å; Y257-D297 PolarHBondContact OH-OD1 3.14Å; Y257-D297 PolarHBondContact OH-OD2 3.21Å
258	P	98.8	Very high	98.6	Very high	69 Å²	69	39.6 Å²	39.6	45%	0.448	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.4	-169.7	23.4	-34.4	0	0	0	113.3	R254 L256	R254-P258 WeakPolarHBondContact CD-O 3.36Å; R254-P258 WeakPolarHBondContact O-CA 3.1Å; R254-P258 WeakPolarHBondContact O-CB 3.48Å; R254-P258 VanDerWaalsContact O-N 3.17Å; L256-P258 WeakPolarHBondContact O-CD 3.5Å
259	N	98.6	Very high	98.7	Very high	140 Å²	140	42 Å²	42	75%	0.749	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	10.8	-173.5	-57.9	-48.3	0	0	0	113.3	Y257 P261	Y257-N259 PolarHBondContact O-N 2.98Å; N259-P261 WeakPolarHBondContact O-CD 3.38Å
260	T	98.6	Very high	98.6	Very high	44 Å²	44	48 Å²	48	27%	0.27	24%	0.241	S	C	.	.			trans	-84.9	107.6	-177.7	-59.8	0	0	0	0	110.6	Y45 R254 Y257 A263	Y45-T260 HydrophobicContact CD2-CG2 4.49Å; Y45-T260 HydrophobicContact CE2-CG2 3.78Å; R254-T260 PolarHBondContact NH1-O 3.4Å; Y257-T260 PolarHBondContact O-N 2.78Å; T260-A263 HydrophobicContact CG2-CB 4.41Å
261	P	98.5	Very high	98.5	Very high	59 Å²	59	55.1 Å²	55.1	38%	0.383	27%	0.274	S	S	.	.			trans	-81.3	174.8	174.8	36.9	-37.1	0	0	0	111.2	I218 N259 A263	I218-P261 HydrophobicContact CD1-CB 4.44Å; I218-P261 HydrophobicContact CG1-CB 4.14Å; N259-P261 WeakPolarHBondContact O-CD 3.38Å; P261-A263 PolarHBondContact O-N 3.31Å
262	Y	98.6	Very high	98.4	Very high	75 Å²	75	60 Å²	60	29%	0.294	30%	0.3	S	S	.	.	S	Bend	trans	67	3.3	172	-49.2	-60.8	0	0	0	116.4	A43 Y45 Y264 N277	A43-Y262 HydrophobicContact CB-CD1 4.33Å; A43-Y262 HydrophobicContact CB-CD2 3.94Å; A43-Y262 HydrophobicContact CB-CE1 4.22Å; A43-Y262 HydrophobicContact CB-CE2 3.79Å; A43-Y262 HydrophobicContact CB-CG 4.22Å; Y45-Y262 WeakPolarHBondContact CB-O 3.4Å; Y262-Y264 WeakPolarHBondContact CD1-OH 3.34Å; Y262-Y264 WeakPolarHBondContact O-CD2 3.46Å; Y262-Y264 PolarHBondContact O-N 3.25Å; Y262-N277 PolarHBondContact O-ND2 3.41Å
263	A	98.8	Very high	98.3	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.008	30%	0.302	C	S	.	.			trans	-86.5	96.9	178.3	0	0	0	0	0	110.4	Y45 F253 T260 P261 I300	Y45-A263 HydrophobicContact CD1-CB 4.31Å; Y45-A263 HydrophobicContact CD2-CB 3.96Å; Y45-A263 HydrophobicContact CE1-CB 3.98Å; Y45-A263 HydrophobicContact CE2-CB 3.59Å; Y45-A263 HydrophobicContact CG-CB 4.3Å; F253-A263 HydrophobicContact CE1-CB 3.77Å; F253-A263 HydrophobicContact CZ-CB 3.5Å; F253-A263 VanDerWaalsContact CZ-CB 3.5Å; T260-A263 HydrophobicContact CG2-CB 4.41Å; P261-A263 PolarHBondContact O-N 3.31Å; A263-I300 HydrophobicContact CB-CD1 3.95Å
264	Y	98.9	Very high	98.3	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.016	31%	0.312	C	S	.	.			trans	-119.1	158.3	-173.6	-53.2	-46.5	0	0	0	111.6	R221 Y262 W267 N277 G279 W280 I300	R221-Y264 WeakPolarHBondContact CA-OH 3.47Å; R221-Y264 HydrophobicContact CB-CE2 4.02Å; R221-Y264 PolarHBondContact N-OH 3.36Å; Y262-Y264 WeakPolarHBondContact CD1-OH 3.34Å; Y262-Y264 WeakPolarHBondContact O-CD2 3.46Å; Y262-Y264 PolarHBondContact O-N 3.25Å; Y264-W267 AromaticContact CD2-NE1 3.91Å; Y264-W267 WeakPolarHBondContact O-CH2 3.48Å; Y264-W267 WeakPolarHBondContact O-CZ2 3.46Å; Y264-N277 WeakPolarHBondContact CD2-OD1 3.3Å; Y264-N277 WeakPolarHBondContact CE2-O 3.03Å; Y264-G279 VanDerWaalsContact CD2-CA 3.44Å; Y264-W280 WeakPolarHBondContact CB-O 3.46Å; Y264-I300 WeakPolarHBondContact O-CG2 3.28Å
265	T	98.9	Very high	98.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-117	-18.4	178.3	61.5	0	0	0	0	112.5	W267 W280 R281 L282 D283 I300 H309 C310 I312	T265-W267 WeakPolarHBondContact O-CZ3 3.39Å; T265-W280 PolarHBondContact N-O 3.05Å; T265-R281 HydrophobicContact CG2-CG 4.02Å; T265-L282 PolarHBondContact OG1-N 2.89Å; T265-D283 WeakPolarHBondContact CB-OD2 3.4Å; T265-D283 HydrophobicContact CG2-CB 4.08Å; T265-D283 PolarHBondContact OG1-N 3.29Å; T265-D283 VanDerWaalsContact OG1-N 3.1Å; T265-D283 PolarHBondContact OG1-OD2 3.09Å; T265-I300 HydrophobicContact CG2-CD1 4.12Å; T265-I300 HydrophobicContact CG2-CG1 4.16Å; T265-I300 HydrophobicContact CG2-CG2 4.13Å; T265-H309 CarbonylContact O-C 3.52Å; T265-H309 WeakPolarHBondContact O-CA 3.32Å; T265-C310 PolarHBondContact O-N 3.32Å; T265-I312 HydrophobicContact CG2-CG2 3.51Å
266	F	98.9	Very high	98.1	Very high	37 Å²	37	64.9 Å²	64.9	16%	0.162	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-125.8	139.3	-179.9	166	-101.6	0	0	0	111.8	G279 W280 L282 D308 H309	F266-G279 CarbonylContact O-C 3.53Å; F266-G279 WeakPolarHBondContact O-CA 3.49Å; F266-W280 HydrophobicContact CD1-CB 4.05Å; F266-W280 AromaticContact CD1-CD1 3.7Å; F266-W280 HydrophobicContact CD1-CG 4.01Å; F266-W280 PolarHBondContact N-O 2.85Å; F266-W280 PolarHBondContact O-N 3.43Å; F266-L282 HydrophobicContact CB-CD1 3.8Å; F266-L282 HydrophobicContact CB-CG 4.12Å; F266-L282 HydrophobicContact CD1-CD1 3.77Å; F266-L282 HydrophobicContact CG-CD1 3.8Å; F266-D308 WeakPolarHBondContact CA-O 3.39Å; F266-D308 HydrophobicContact CD2-CB 4.19Å; F266-D308 HydrophobicContact CE2-CB 4.04Å; F266-D308 WeakPolarHBondContact CE2-OD2 3.45Å; F266-H309 AromaticContact CD2-CD2 3.62Å; F266-H309 AromaticContact CD2-CE1 3.87Å; F266-H309 AromaticContact CD2-NE2 3.33Å; F266-H309 VanDerWaalsContact CD2-NE2 3.33Å; F266-H309 WeakPolarHBondContact CD2-NE2 3.1Å
267	W	98.8	Very high	98.1	Very high	7 Å²	7	62.5 Å²	62.5	3%	0.027	32%	0.319	C	S	.	.			trans	-141.2	125.7	168.8	-55.7	-101	0	0	0	109.7	Y264 T265 Y269 A273 R274 N277 V278 D308 C310	Y264-W267 AromaticContact CD2-NE1 3.91Å; Y264-W267 WeakPolarHBondContact O-CH2 3.48Å; Y264-W267 WeakPolarHBondContact O-CZ2 3.46Å; T265-W267 WeakPolarHBondContact O-CZ3 3.39Å; W267-Y269 PolarHBondContact O-N 3.34Å; W267-A273 HydrophobicContact CB-CB 4.3Å; W267-R274 HydrophobicContact CB-CB 3.75Å; W267-R274 HydrophobicContact CB-CG 4.2Å; W267-R274 HydrophobicContact CD2-CB 4.36Å; W267-R274 HydrophobicContact CD2-CG 3.87Å; W267-R274 HydrophobicContact CE3-CG 4.01Å; W267-R274 HydrophobicContact CG-CB 3.92Å; W267-R274 HydrophobicContact CG-CG 3.98Å; W267-N277 PolarHBondContact NE1-OD1 3.42Å; W267-V278 VanDerWaalsContact CD1-C 3.49Å; W267-D308 PolarHBondContact N-O 3.11Å; W267-D308 WeakPolarHBondContact O-CB 3.27Å; W267-C310 HydrophobicContact CH2-CB 4.43Å; W267-C310 HydrophobicContact CZ3-CB 3.95Å
268	T	98.1	Very high	98.1	Very high	50 Å²	50	62.5 Å²	62.5	31%	0.307	32%	0.323	S	S	.	.			trans	-53.6	138.9	174.3	-177.7	0	0	0	0	111.4	M270 A273	T268-M270 HydrophobicContact CG2-CB 4.35Å; T268-M270 PolarHBondContact O-N 2.7Å; T268-M270 VanDerWaalsContact O-N 3.14Å; T268-M270 PolarHBondContact OG1-N 3.3Å; T268-A273 HydrophobicContact CG2-CB 3.65Å; T268-A273 WeakPolarHBondContact O-CB 3.33Å
269	Y	97.3	Very high	98.1	Very high	121 Å²	121	59.2 Å²	59.2	48%	0.475	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.7	173.3	-67.7	-65.6	0	0	0	113	D70 K78 W267 D308	D70-Y269 VanDerWaalsContact OD2-CE2 3.31Å; D70-Y269 WeakPolarHBondContact OD2-CE2 3.28Å; D70-Y269 PolarHBondContact OD2-OH 3.36Å; D70-Y269 VanDerWaalsContact OD2-OH 3.13Å; K78-Y269 PolarHBondContact NZ-OH 3.42Å; W267-Y269 PolarHBondContact O-N 3.34Å; Y269-D308 HydrophobicContact CD1-CB 4.3Å; Y269-D308 HydrophobicContact CD2-CB 3.92Å; Y269-D308 HydrophobicContact CE1-CB 3.96Å; Y269-D308 HydrophobicContact CE2-CB 3.54Å; Y269-D308 HydrophobicContact CG-CB 4.3Å; Y269-D308 PolarHBondContact OH-N 3.22Å
270	M	97.1	Very high	98.1	Very high	130 Å²	130	54.4 Å²	54.4	64%	0.64	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-72.2	152.8	-178.5	-63.3	-173.7	-70.4	0	0	112.4	T268 N272 A273	T268-M270 HydrophobicContact CG2-CB 4.35Å; T268-M270 PolarHBondContact O-N 2.7Å; T268-M270 VanDerWaalsContact O-N 3.14Å; T268-M270 PolarHBondContact OG1-N 3.3Å; M270-N272 PolarHBondContact O-N 3.33Å; M270-A273 PolarHBondContact O-N 3.34Å
271	M	96.5	Very high	98.1	Very high	162 Å²	162	52.4 Å²	52.4	80%	0.798	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	58.2	20.5	168.9	-55.6	-59.6	162.8	0	0	115.6	A273 K276	M271-A273 VanDerWaalsContact C-N 3.26Å; M271-A273 PolarHBondContact O-N 3.42Å; M271-K276 PolarHBondContact O-NZ 2.7Å
272	N	96.4	Very high	98.1	Very high	114 Å²	114	50.1 Å²	50.1	61%	0.61	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	54.2	41.7	-175.8	-60.8	-38.7	0	0	0	112.1	M270 R274 S275 K276	M270-N272 PolarHBondContact O-N 3.33Å; N272-R274 VanDerWaalsContact C-N 3.28Å; N272-R274 PolarHBondContact O-N 3.33Å; N272-S275 PolarHBondContact O-N 3.48Å; N272-S275 PolarHBondContact O-OG 3.14Å; N272-S275 VanDerWaalsContact O-OG 3.09Å; N272-K276 PolarHBondContact O-N 2.94Å
273	A	97.8	Very high	98.2	Very high	6 Å²	6	46.7 Å²	46.7	5%	0.05	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-38.5	-174	0	0	0	0	0	112.5	W267 T268 M270 M271 K276 N277 V278	W267-A273 HydrophobicContact CB-CB 4.3Å; T268-A273 HydrophobicContact CG2-CB 3.65Å; T268-A273 WeakPolarHBondContact O-CB 3.33Å; M270-A273 PolarHBondContact O-N 3.34Å; M271-A273 VanDerWaalsContact C-N 3.26Å; M271-A273 PolarHBondContact O-N 3.42Å; A273-K276 CarbonylContact O-C 3.48Å; A273-K276 PolarHBondContact O-N 2.97Å; A273-N277 PolarHBondContact O-N 3.49Å; A273-N277 VanDerWaalsContact O-N 3.08Å; A273-V278 HydrophobicContact CB-CB 4.26Å; A273-V278 PolarHBondContact O-N 3.26Å
274	R	98.3	Very high	98.2	Very high	59 Å²	59	46.8 Å²	46.8	22%	0.223	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-44.4	179.4	-164.4	166.2	-177.1	168.2	-0.3	113.2	W267 N272 K276 N277 S302 A304 S307	W267-R274 HydrophobicContact CB-CB 3.75Å; W267-R274 HydrophobicContact CB-CG 4.2Å; W267-R274 HydrophobicContact CD2-CB 4.36Å; W267-R274 HydrophobicContact CD2-CG 3.87Å; W267-R274 HydrophobicContact CE3-CG 4.01Å; W267-R274 HydrophobicContact CG-CB 3.92Å; W267-R274 HydrophobicContact CG-CG 3.98Å; N272-R274 VanDerWaalsContact C-N 3.28Å; N272-R274 PolarHBondContact O-N 3.33Å; R274-K276 PolarHBondContact O-N 3.18Å; R274-N277 PolarHBondContact O-N 3.15Å; R274-N277 VanDerWaalsContact O-N 3.11Å; R274-S302 PolarHBondContact NH2-O 3.33Å; R274-A304 PolarHBondContact NH2-O 2.98Å; R274-S307 PolarHBondContact NH1-O 3.21Å
275	S	97.2	Very high	98.2	Very high	84 Å²	84	46.6 Å²	46.6	59%	0.587	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-22	179	67.7	0	0	0	0	113.4	N272	N272-S275 PolarHBondContact O-N 3.48Å; N272-S275 PolarHBondContact O-OG 3.14Å; N272-S275 VanDerWaalsContact O-OG 3.09Å
276	K	97.6	Very high	98.2	Very high	99 Å²	99	46.6 Å²	46.6	43%	0.43	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2.1	175	-62.7	170.2	-177	165.7	0	113	P42 M271 N272 A273 R274 V278	P42-K276 HydrophobicContact CB-CB 4.46Å; P42-K276 WeakPolarHBondContact CB-O 3.36Å; M271-K276 PolarHBondContact O-NZ 2.7Å; N272-K276 PolarHBondContact O-N 2.94Å; A273-K276 CarbonylContact O-C 3.48Å; A273-K276 PolarHBondContact O-N 2.97Å; R274-K276 PolarHBondContact O-N 3.18Å; K276-V278 HydrophobicContact CB-CG2 3.81Å; K276-V278 PolarHBondContact O-N 3.03Å
277	N	98.3	Very high	98.2	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.043	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	41.7	-171	-161.5	29.2	0	0	0	113.7	A43 L44 Y262 Y264 W267 A273 R274 G279	A43-N277 PolarHBondContact O-ND2 2.81Å; L44-N277 HydrophobicContact CD2-CB 4.1Å; Y262-N277 PolarHBondContact O-ND2 3.41Å; Y264-N277 WeakPolarHBondContact CD2-OD1 3.3Å; Y264-N277 WeakPolarHBondContact CE2-O 3.03Å; W267-N277 PolarHBondContact NE1-OD1 3.42Å; A273-N277 PolarHBondContact O-N 3.49Å; A273-N277 VanDerWaalsContact O-N 3.08Å; R274-N277 PolarHBondContact O-N 3.15Å; R274-N277 VanDerWaalsContact O-N 3.11Å; N277-G279 PolarHBondContact O-N 3.03Å
278	V	98.5	Very high	98.2	Very high	43 Å²	43	45 Å²	45	26%	0.261	23%	0.226	S	C	.	.			trans	-92.4	78.8	174.2	-176.8	0	0	0	0	108.3	R221 N222 W267 A273 K276	R221-V278 HydrophobicContact CB-CB 4.49Å; R221-V278 HydrophobicContact CB-CG1 4.09Å; R221-V278 HydrophobicContact CG-CB 4.31Å; R221-V278 HydrophobicContact CG-CG1 4.07Å; R221-V278 HydrophobicContact CG-CG2 4.26Å; N222-V278 WeakPolarHBondContact ND2-CG1 3.17Å; W267-V278 VanDerWaalsContact CD1-C 3.49Å; A273-V278 HydrophobicContact CB-CB 4.26Å; A273-V278 PolarHBondContact O-N 3.26Å; K276-V278 HydrophobicContact CB-CG2 3.81Å; K276-V278 PolarHBondContact O-N 3.03Å
279	G	98.5	Very high	98.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.233	C	C	.	.			trans	-124.5	-175.4	-169.7	0	0	0	0	0	114.9	L220 R221 Y264 F266 N277	L220-G279 WeakPolarHBondContact CA-O 3.39Å; R221-G279 PolarHBondContact N-O 3.11Å; Y264-G279 VanDerWaalsContact CD2-CA 3.44Å; F266-G279 CarbonylContact O-C 3.53Å; F266-G279 WeakPolarHBondContact O-CA 3.49Å; N277-G279 PolarHBondContact O-N 3.03Å
280	W	98.9	Very high	98.3	Very high	39 Å²	39	45.5 Å²	45.5	15%	0.148	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-137.4	144.8	178.4	-54	62.7	0	0	0	108.6	A214 D219 L220 N226 F232 Y264 T265 F266 L282	A214-W280 HydrophobicContact CB-CE3 4.06Å; D219-W280 CarbonylContact O-C 3.54Å; D219-W280 WeakPolarHBondContact O-CA 3.43Å; L220-W280 HydrophobicContact CB-CB 4.34Å; L220-W280 HydrophobicContact CB-CD2 3.93Å; L220-W280 HydrophobicContact CB-CE3 4.05Å; L220-W280 HydrophobicContact CB-CG 4.1Å; L220-W280 HydrophobicContact CD1-CD2 4Å; L220-W280 HydrophobicContact CD1-CE3 3.58Å; L220-W280 HydrophobicContact CD1-CH2 3.87Å; L220-W280 HydrophobicContact CD1-CZ2 4.22Å; L220-W280 HydrophobicContact CD1-CZ3 3.55Å; L220-W280 HydrophobicContact CG-CE3 4.47Å; N226-W280 HydrophobicContact CB-CH2 3.51Å; N226-W280 HydrophobicContact CB-CZ2 3.92Å; N226-W280 HydrophobicContact CB-CZ3 4.38Å; N226-W280 WeakPolarHBondContact OD1-CH2 3.38Å; N226-W280 VanDerWaalsContact OD1-CZ2 3.3Å; N226-W280 WeakPolarHBondContact OD1-CZ2 3.33Å; F232-W280 HydrophobicContact CB-CH2 4.21Å; F232-W280 HydrophobicContact CB-CZ3 3.69Å; Y264-W280 WeakPolarHBondContact CB-O 3.46Å; T265-W280 PolarHBondContact N-O 3.05Å; F266-W280 HydrophobicContact CD1-CB 4.05Å; F266-W280 AromaticContact CD1-CD1 3.7Å; F266-W280 HydrophobicContact CD1-CG 4.01Å; F266-W280 PolarHBondContact N-O 2.85Å; F266-W280 PolarHBondContact O-N 3.43Å; W280-L282 HydrophobicContact CB-CD1 4.3Å; W280-L282 HydrophobicContact CB-CD2 3.91Å; W280-L282 HydrophobicContact CB-CG 3.83Å; W280-L282 HydrophobicContact CE3-CD2 4.26Å
281	R	98.9	Very high	98.4	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.011	21%	0.21	C	C	.	.			trans	-94.7	103.6	167.6	-166.2	175.6	67.5	103.2	-1.2	107.9	D219 D251 T265 Y284	D219-R281 HydrophobicContact CB-CB 4.22Å; D219-R281 PolarHBondContact O-N 3.16Å; D219-R281 IonicContact OD1-CZ 2.71Å; D219-R281 VanDerWaalsContact OD1-CZ 3.23Å; D219-R281 IonicContact OD1-NE 2.92Å; D219-R281 PolarHBondContact OD1-NE 3.34Å; D219-R281 IonicContact OD1-NH2 3.24Å; D219-R281 PolarHBondContact OD1-NH2 2.94Å; D219-R281 IonicContact OD2-NH2 3.6Å; D251-R281 IonicContact OD1-CZ 3.89Å; D251-R281 IonicContact OD1-NH1 2.67Å; D251-R281 PolarHBondContact OD1-NH1 3.37Å; D251-R281 IonicContact OD1-NH2 3.23Å; D251-R281 IonicContact OD2-CZ 3.58Å; D251-R281 VanDerWaalsContact OD2-CZ 3.24Å; D251-R281 IonicContact OD2-NH1 3.91Å; D251-R281 PolarHBondContact OD2-NH1 3.37Å; D251-R281 IonicContact OD2-NH2 2.75Å; D251-R281 PolarHBondContact OD2-NH2 3.12Å; T265-R281 HydrophobicContact CG2-CG 4.02Å; R281-Y284 VanDerWaalsContact NH1-CD1 3.25Å; R281-Y284 VanDerWaalsContact NH2-CE1 3.35Å; R281-Y284 PolarHBondContact O-OH 3.36Å
282	L	98.9	Very high	98.5	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.058	18%	0.179	C	C	.	.			trans	-114	-16.8	-177.7	-56.9	-177.6	0	0	0	112.2	L211 A214 T265 F266 W280 Y284	L211-L282 PolarHBondContact N-O 3.18Å; A214-L282 HydrophobicContact CB-CD2 4.37Å; T265-L282 PolarHBondContact OG1-N 2.89Å; F266-L282 HydrophobicContact CB-CD1 3.8Å; F266-L282 HydrophobicContact CB-CG 4.12Å; F266-L282 HydrophobicContact CD1-CD1 3.77Å; F266-L282 HydrophobicContact CG-CD1 3.8Å; W280-L282 HydrophobicContact CB-CD1 4.3Å; W280-L282 HydrophobicContact CB-CD2 3.91Å; W280-L282 HydrophobicContact CB-CG 3.83Å; W280-L282 HydrophobicContact CE3-CD2 4.26Å; L282-Y284 WeakPolarHBondContact O-CD2 3.33Å; L282-Y284 WeakPolarHBondContact O-CE2 3.26Å
283	D	98.9	Very high	98.6	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.8	-177.5	-50.5	-98.4	0	0	0	109.6	G209 T265 H309 I312	G209-D283 VanDerWaalsContact O-CA 3.31Å; G209-D283 WeakPolarHBondContact O-CA 3.24Å; T265-D283 WeakPolarHBondContact CB-OD2 3.4Å; T265-D283 HydrophobicContact CG2-CB 4.08Å; T265-D283 PolarHBondContact OG1-N 3.29Å; T265-D283 VanDerWaalsContact OG1-N 3.1Å; T265-D283 PolarHBondContact OG1-OD2 3.09Å; D283-H309 IonicContact OD1-ND1 3.29Å; D283-H309 PolarHBondContact OD1-ND1 2.83Å; D283-H309 IonicContact OD2-CE1 3.99Å; D283-H309 IonicContact OD2-CG 3.18Å; D283-H309 IonicContact OD2-ND1 2.89Å; D283-H309 PolarHBondContact OD2-ND1 2.9Å; D283-I312 HydrophobicContact CB-CD1 3.79Å; D283-I312 HydrophobicContact CB-CG1 4.24Å; D283-I312 HydrophobicContact CB-CG2 4.23Å
284	Y	98.9	Very high	98.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.1	-171.5	-62.2	-100.1	0	0	0	112.6	C208 G209 L211 V213 H215 F240 D251 R281 L282 L286 I312	C208-Y284 WeakPolarHBondContact CA-O 3.49Å; C208-Y284 WeakPolarHBondContact CB-O 3.44Å; G209-Y284 PolarHBondContact N-O 2.79Å; G209-Y284 PolarHBondContact O-N 2.7Å; L211-Y284 HydrophobicContact CB-CD2 3.83Å; L211-Y284 HydrophobicContact CB-CE2 4.16Å; L211-Y284 HydrophobicContact CD1-CD2 3.76Å; L211-Y284 HydrophobicContact CD1-CG 3.96Å; L211-Y284 HydrophobicContact CG-CD2 3.82Å; L211-Y284 HydrophobicContact CG-CG 4.42Å; V213-Y284 VanDerWaalsContact O-CE2 3.25Å; V213-Y284 WeakPolarHBondContact O-CE2 3.46Å; V213-Y284 PolarHBondContact O-OH 3.29Å; H215-Y284 PolarHBondContact N-OH 2.8Å; F240-Y284 HydrophobicContact CE1-CE1 4.34Å; F240-Y284 HydrophobicContact CE2-CD1 4.07Å; F240-Y284 HydrophobicContact CE2-CD2 4.16Å; F240-Y284 AromaticContact CE2-CE1 3.89Å; F240-Y284 HydrophobicContact CE2-CE1 3.89Å; F240-Y284 HydrophobicContact CE2-CE2 4.02Å; F240-Y284 HydrophobicContact CE2-CG 4.2Å; F240-Y284 AromaticContact CE2-CZ 3.9Å; F240-Y284 AromaticContact CZ-CD1 3.64Å; F240-Y284 HydrophobicContact CZ-CD1 3.64Å; F240-Y284 AromaticContact CZ-CE1 3.44Å; F240-Y284 HydrophobicContact CZ-CE1 3.44Å; F240-Y284 VanDerWaalsContact CZ-CE1 3.44Å; F240-Y284 HydrophobicContact CZ-CE2 4.41Å; F240-Y284 HydrophobicContact CZ-CG 4.2Å; F240-Y284 AromaticContact CZ-CZ 3.89Å; D251-Y284 WeakPolarHBondContact OD2-CD1 3.29Å; D251-Y284 WeakPolarHBondContact OD2-CE1 3.45Å; R281-Y284 VanDerWaalsContact NH1-CD1 3.25Å; R281-Y284 VanDerWaalsContact NH2-CE1 3.35Å; R281-Y284 PolarHBondContact O-OH 3.36Å; L282-Y284 WeakPolarHBondContact O-CD2 3.33Å; L282-Y284 WeakPolarHBondContact O-CE2 3.26Å; Y284-L286 HydrophobicContact CD1-CD2 4.14Å; Y284-L286 HydrophobicContact CG-CD2 4.38Å; Y284-I312 VanDerWaalsContact C-CD1 3.41Å; Y284-I312 WeakPolarHBondContact O-CD1 3.49Å
285	F	99	Very high	98.7	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.5	150	-74.9	-81.3	0	0	0	107.7	I64 V206 L207 C208 S252 I312 L314	I64-F285 HydrophobicContact CB-CE1 3.96Å; I64-F285 HydrophobicContact CB-CZ 4.16Å; I64-F285 HydrophobicContact CG2-CE1 3.68Å; I64-F285 HydrophobicContact CG2-CZ 3.99Å; I64-F285 WeakPolarHBondContact O-CZ 3.41Å; V206-F285 HydrophobicContact CG1-CD1 4.07Å; L207-F285 CarbonylContact O-C 3.56Å; L207-F285 WeakPolarHBondContact O-CA 3.35Å; C208-F285 HydrophobicContact CB-CD1 3.37Å; C208-F285 HydrophobicContact CB-CE1 3.37Å; C208-F285 HydrophobicContact CB-CG 4.17Å; C208-F285 HydrophobicContact CB-CZ 4.19Å; S252-F285 PolarHBondContact N-O 2.81Å; S252-F285 VanDerWaalsContact OG-CB 3.29Å; S252-F285 WeakPolarHBondContact OG-CB 3.36Å; S252-F285 PolarHBondContact OG-O 2.93Å; F285-I312 HydrophobicContact CD2-CB 4.42Å; F285-I312 HydrophobicContact CD2-CD1 3.64Å; F285-I312 HydrophobicContact CD2-CG1 4.05Å; F285-I312 HydrophobicContact CE2-CB 4.05Å; F285-I312 HydrophobicContact CE2-CD1 3.68Å; F285-I312 HydrophobicContact CE2-CG1 3.6Å; F285-I312 HydrophobicContact CG-CD1 4.48Å; F285-I312 HydrophobicContact CZ-CG1 4.4Å; F285-L314 HydrophobicContact CB-CD1 4.05Å; F285-L314 HydrophobicContact CB-CD2 4.39Å; F285-L314 HydrophobicContact CD1-CB 3.83Å; F285-L314 HydrophobicContact CD1-CD2 3.78Å; F285-L314 HydrophobicContact CD1-CG 4.29Å; F285-L314 HydrophobicContact CD2-CB 3.8Å; F285-L314 HydrophobicContact CD2-CD1 4.45Å; F285-L314 HydrophobicContact CE1-CB 3.8Å; F285-L314 HydrophobicContact CE1-CD2 4.28Å; F285-L314 HydrophobicContact CE2-CB 3.76Å; F285-L314 HydrophobicContact CG-CB 3.84Å; F285-L314 HydrophobicContact CG-CD1 4.15Å; F285-L314 HydrophobicContact CG-CD2 4.14Å; F285-L314 HydrophobicContact CG-CG 4.28Å; F285-L314 HydrophobicContact CZ-CB 3.77Å
286	L	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126	175.3	-53.9	-172	0	0	0	108.5	L207 L211 F240 L243 L244 L249 A250 D251 Y284	L207-L286 HydrophobicContact CB-CB 4.21Å; L207-L286 HydrophobicContact CD2-CB 4.41Å; L207-L286 HydrophobicContact CD2-CD1 3.95Å; L207-L286 HydrophobicContact CD2-CG 4.48Å; L207-L286 PolarHBondContact N-O 3.42Å; L207-L286 PolarHBondContact O-N 2.67Å; L211-L286 HydrophobicContact CD1-CD1 3.62Å; L211-L286 HydrophobicContact CD1-CG 4.1Å; F240-L286 HydrophobicContact CE2-CD1 4.14Å; F240-L286 HydrophobicContact CZ-CD1 4.14Å; F240-L286 HydrophobicContact CZ-CD2 3.99Å; L243-L286 HydrophobicContact CD2-CD1 3.95Å; L244-L286 HydrophobicContact CD2-CD1 3.87Å; L244-L286 HydrophobicContact CD2-CD2 3.97Å; L244-L286 HydrophobicContact CD2-CG 4.43Å; L249-L286 HydrophobicContact CB-CB 4.15Å; L249-L286 HydrophobicContact CD1-CB 4.12Å; A250-L286 CarbonylContact O-C 3.52Å; A250-L286 WeakPolarHBondContact O-CA 3.35Å; D251-L286 HydrophobicContact CB-CD2 3.91Å; Y284-L286 HydrophobicContact CD1-CD2 4.14Å; Y284-L286 HydrophobicContact CG-CD2 4.38Å
287	L	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.9	-170.7	-52.9	179.4	0	0	0	111.1	V206 L249 A250 L291 L295 L314 L316	V206-L287 HydrophobicContact CB-CD2 4.19Å; V206-L287 HydrophobicContact CG1-CD2 3.82Å; V206-L287 HydrophobicContact CG2-CD2 3.82Å; L249-L287 CarbonylContact C-O 3.58Å; L249-L287 VanDerWaalsContact CA-O 3.31Å; L249-L287 WeakPolarHBondContact CA-O 3.28Å; L249-L287 VanDerWaalsContact CD2-C 3.44Å; A250-L287 PolarHBondContact N-O 2.74Å; A250-L287 PolarHBondContact O-N 2.87Å; L287-L291 HydrophobicContact CB-CB 4.36Å; L287-L295 HydrophobicContact CD1-CB 4.36Å; L287-L295 HydrophobicContact CD1-CD1 3.99Å; L287-L295 HydrophobicContact CD1-CD2 4.16Å; L287-L295 HydrophobicContact CD1-CG 4.41Å; L287-L314 HydrophobicContact CD1-CD1 4.31Å; L287-L314 HydrophobicContact CD2-CD2 3.76Å; L287-L316 HydrophobicContact CD1-CD2 4.29Å
288	S	98.9	Very high	98.8	Very high	10 Å²	10	21.4 Å²	21.4	7%	0.07	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	141.2	161.3	-68.6	0	0	0	0	110	L205 S290 L291	L205-S288 WeakPolarHBondContact CB-OG 3.36Å; L205-S288 PolarHBondContact N-OG 2.9Å; L205-S288 PolarHBondContact O-N 2.92Å; L205-S288 PolarHBondContact O-OG 3.5Å; S288-S290 PolarHBondContact O-N 3.23Å; S288-S290 VanDerWaalsContact O-N 3.09Å; S288-L291 WeakPolarHBondContact O-CB 3.33Å; S288-L291 PolarHBondContact O-N 3.26Å
289	H	98.7	Very high	98.9	Very high	100 Å²	100	19.4 Å²	19.4	46%	0.463	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-57.3	-29.9	-177.8	-76.4	65	0	0	0	113.1	P248 L291 L292	P248-H289 VanDerWaalsContact C-ND1 3.34Å; P248-H289 PolarHBondContact O-CE1 3Å; P248-H289 PolarHBondContact O-ND1 2.82Å; H289-L291 PolarHBondContact O-N 2.73Å; H289-L292 HydrophobicContact CB-CD1 4.41Å; H289-L292 WeakPolarHBondContact O-CB 3.36Å; H289-L292 WeakPolarHBondContact O-CG 3.23Å; H289-L292 PolarHBondContact O-N 2.82Å; H289-L292 VanDerWaalsContact O-N 3.15Å
290	S	98.6	Very high	98.9	Very high	82 Å²	82	19.6 Å²	19.6	57%	0.573	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-63.1	-18.7	175	53.9	0	0	0	0	114.3	S288	S288-S290 PolarHBondContact O-N 3.23Å; S288-S290 VanDerWaalsContact O-N 3.09Å
291	L	98.8	Very high	98.9	Very high	11 Å²	11	19.5 Å²	19.5	6%	0.058	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-91.3	-9.3	177.1	-63.7	176.1	0	0	0	113.2	P204 V206 L287 S288 H289 A294 L295 L318	P204-L291 HydrophobicContact CB-CD1 3.95Å; P204-L291 HydrophobicContact CB-CD2 3.83Å; P204-L291 HydrophobicContact CB-CG 3.79Å; V206-L291 HydrophobicContact CG2-CD1 3.61Å; L287-L291 HydrophobicContact CB-CB 4.36Å; S288-L291 WeakPolarHBondContact O-CB 3.33Å; S288-L291 PolarHBondContact O-N 3.26Å; H289-L291 PolarHBondContact O-N 2.73Å; L291-A294 CarbonylContact O-C 3.57Å; L291-A294 WeakPolarHBondContact O-CA 3.26Å; L291-A294 WeakPolarHBondContact O-CB 3.31Å; L291-A294 PolarHBondContact O-N 3.4Å; L291-L295 PolarHBondContact O-N 3.02Å; L291-L295 VanDerWaalsContact O-N 3.11Å; L291-L318 HydrophobicContact CD2-CD2 4.04Å
292	L	98.9	Very high	98.9	Very high	29 Å²	29	20.5 Å²	20.5	15%	0.152	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-58.8	-39.2	-180	-67.5	174.9	0	0	0	113.6	A250 H289 A294 L295	A250-L292 HydrophobicContact CB-CD1 4.12Å; A250-L292 HydrophobicContact CB-CD2 3.86Å; A250-L292 HydrophobicContact CB-CG 4.37Å; H289-L292 HydrophobicContact CB-CD1 4.41Å; H289-L292 WeakPolarHBondContact O-CB 3.36Å; H289-L292 WeakPolarHBondContact O-CG 3.23Å; H289-L292 PolarHBondContact O-N 2.82Å; H289-L292 VanDerWaalsContact O-N 3.15Å; L292-A294 PolarHBondContact O-N 3.35Å; L292-L295 HydrophobicContact CD2-CD2 4.29Å; L292-L295 WeakPolarHBondContact O-CB 3.42Å; L292-L295 PolarHBondContact O-N 3.13Å; L292-L295 VanDerWaalsContact O-N 3.11Å
293	P	98.8	Very high	98.8	Very high	87 Å²	87	27.9 Å²	27.9	57%	0.565	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-64.1	-23	174	-23.2	35.4	0	0	0	114
294	A	98.8	Very high	98.8	Very high	16 Å²	16	28 Å²	28	13%	0.132	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-88.8	-12.8	176.5	0	0	0	0	0	112.7	L291 L292 C296 L316 A317 L318	L291-A294 CarbonylContact O-C 3.57Å; L291-A294 WeakPolarHBondContact O-CA 3.26Å; L291-A294 WeakPolarHBondContact O-CB 3.31Å; L291-A294 PolarHBondContact O-N 3.4Å; L292-A294 PolarHBondContact O-N 3.35Å; A294-C296 PolarHBondContact O-N 2.65Å; A294-L316 CarbonylContact O-C 3.53Å; A294-L316 VanDerWaalsContact O-CA 3.31Å; A294-L316 WeakPolarHBondContact O-CA 3.45Å; A294-A317 WeakPolarHBondContact CB-O 3.42Å; A294-A317 PolarHBondContact O-N 2.84Å; A294-L318 HydrophobicContact CB-CD2 4.19Å
295	L	98.9	Very high	98.8	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	114.2	179.7	178.1	59.4	0	0	0	110.4	P55 L256 L287 L291 L292 L314 L316	P55-L295 WeakPolarHBondContact CD-O 3.41Å; L256-L295 HydrophobicContact CD1-CD1 4.34Å; L256-L295 HydrophobicContact CD1-CD2 3.9Å; L256-L295 HydrophobicContact CD1-CG 4.03Å; L256-L295 HydrophobicContact CD2-CD2 4.18Å; L256-L295 HydrophobicContact CD2-CG 4.47Å; L256-L295 HydrophobicContact CG-CD2 3.91Å; L256-L295 HydrophobicContact CG-CG 4.44Å; L287-L295 HydrophobicContact CD1-CB 4.36Å; L287-L295 HydrophobicContact CD1-CD1 3.99Å; L287-L295 HydrophobicContact CD1-CD2 4.16Å; L287-L295 HydrophobicContact CD1-CG 4.41Å; L291-L295 PolarHBondContact O-N 3.02Å; L291-L295 VanDerWaalsContact O-N 3.11Å; L292-L295 HydrophobicContact CD2-CD2 4.29Å; L292-L295 WeakPolarHBondContact O-CB 3.42Å; L292-L295 PolarHBondContact O-N 3.13Å; L292-L295 VanDerWaalsContact O-N 3.11Å; L295-L314 HydrophobicContact CD1-CD1 3.56Å; L295-L316 HydrophobicContact CB-CD2 4.34Å; L295-L316 HydrophobicContact CD1-CD2 4.14Å
296	C	98.9	Very high	98.7	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-51.9	172.4	-55.7	0	0	0	0	110.4	Q51 S54 A60 A294 Y315	Q51-C296 WeakPolarHBondContact CG-O 3.24Å; Q51-C296 CarbonylContact O-C 3.5Å; Q51-C296 VanDerWaalsContact O-CB 3.27Å; Q51-C296 WeakPolarHBondContact O-CB 3.49Å; S54-C296 PolarHBondContact N-SG 3.24Å; A60-C296 HydrophobicContact CB-CB 4.39Å; A294-C296 PolarHBondContact O-N 2.65Å; C296-Y315 WeakPolarHBondContact CB-O 3.48Å; C296-Y315 PolarHBondContact N-O 2.86Å
297	D	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	163.6	179.1	-148.9	-17	0	0	0	112.5	Q51 Y257 K299 Y315	Q51-D297 HydrophobicContact CB-CB 3.99Å; Q51-D297 PolarHBondContact N-OD2 3.03Å; Q51-D297 VanDerWaalsContact O-CB 3.31Å; Q51-D297 WeakPolarHBondContact O-CB 3.34Å; Y257-D297 WeakPolarHBondContact CE2-OD1 3.44Å; Y257-D297 PolarHBondContact OH-OD1 3.14Å; Y257-D297 PolarHBondContact OH-OD2 3.21Å; D297-K299 HydrophobicContact CB-CD 3.81Å; D297-K299 IonicContact OD1-NZ 3.19Å; D297-K299 WeakPolarHBondContact OD2-CD 3.2Å; D297-K299 WeakPolarHBondContact OD2-CE 3.35Å; D297-K299 IonicContact OD2-NZ 3.76Å; D297-K299 PolarHBondContact OD2-NZ 3.44Å; D297-Y315 HydrophobicContact CB-CD2 4.37Å; D297-Y315 PolarHBondContact N-O 3.21Å; D297-Y315 PolarHBondContact O-N 3Å
298	S	98.9	Very high	98.7	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.028	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	113.9	173.4	-171.9	0	0	0	0	108.6	S252 F253 T313	S252-S298 VanDerWaalsContact OG-CB 3.31Å; S252-S298 WeakPolarHBondContact OG-CB 2.87Å; S252-S298 PolarHBondContact OG-OG 2.98Å; F253-S298 WeakPolarHBondContact CD2-O 3.45Å; S298-T313 CarbonylContact C-O 3.48Å; S298-T313 WeakPolarHBondContact CA-O 3.19Å
299	K	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	152.4	-165.8	-46.2	-51.9	-59	172.8	0	112	D47 P48 P49 D50 D297 I312 T313 Y315	D47-K299 WeakPolarHBondContact OD2-CA 3.48Å; D47-K299 WeakPolarHBondContact OD2-CB 3.14Å; D47-K299 WeakPolarHBondContact OD2-CE 3.41Å; D47-K299 IonicContact OD2-NZ 3.72Å; P48-K299 VanDerWaalsContact O-CE 3.27Å; P48-K299 WeakPolarHBondContact O-CE 3.46Å; P48-K299 PolarHBondContact O-NZ 3.21Å; P49-K299 PolarHBondContact O-NZ 2.8Å; P49-K299 VanDerWaalsContact O-NZ 3.07Å; D50-K299 VanDerWaalsContact OD1-CE 3.28Å; D50-K299 WeakPolarHBondContact OD1-CE 3.31Å; D297-K299 HydrophobicContact CB-CD 3.81Å; D297-K299 IonicContact OD1-NZ 3.19Å; D297-K299 WeakPolarHBondContact OD2-CD 3.2Å; D297-K299 WeakPolarHBondContact OD2-CE 3.35Å; D297-K299 IonicContact OD2-NZ 3.76Å; D297-K299 PolarHBondContact OD2-NZ 3.44Å; K299-I312 VanDerWaalsContact O-CA 3.24Å; K299-I312 WeakPolarHBondContact O-CA 3.43Å; K299-I312 WeakPolarHBondContact O-CB 3.21Å; K299-T313 PolarHBondContact N-O 3.34Å; K299-T313 PolarHBondContact O-N 3.01Å; K299-Y315 HydrophobicContact CG-CD2 4.26Å; K299-Y315 HydrophobicContact CG-CE2 4.04Å
300	I	98.9	Very high	98.7	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.2	170.1	-63	179.1	0	0	0	108.3	Y45 D47 F253 A263 Y264 T265 S302 C310 I312	Y45-I300 HydrophobicContact CE1-CB 4.24Å; Y45-I300 HydrophobicContact CE1-CG2 4.44Å; D47-I300 WeakPolarHBondContact CB-O 3.46Å; D47-I300 VanDerWaalsContact CG-O 3.28Å; D47-I300 PolarHBondContact OD1-N 3.35Å; D47-I300 PolarHBondContact OD2-N 2.95Å; F253-I300 HydrophobicContact CD2-CD1 3.96Å; F253-I300 HydrophobicContact CD2-CG1 4.02Å; F253-I300 HydrophobicContact CE1-CD1 4.26Å; F253-I300 HydrophobicContact CE2-CD1 3.61Å; F253-I300 HydrophobicContact CE2-CG1 3.86Å; F253-I300 HydrophobicContact CG-CD1 4.44Å; F253-I300 HydrophobicContact CZ-CD1 3.79Å; A263-I300 HydrophobicContact CB-CD1 3.95Å; Y264-I300 WeakPolarHBondContact O-CG2 3.28Å; T265-I300 HydrophobicContact CG2-CD1 4.12Å; T265-I300 HydrophobicContact CG2-CG1 4.16Å; T265-I300 HydrophobicContact CG2-CG2 4.13Å; I300-S302 WeakPolarHBondContact CG2-OG 3.47Å; I300-S302 PolarHBondContact O-N 2.91Å; I300-S302 PolarHBondContact O-OG 3.32Å; I300-C310 VanDerWaalsContact CG2-SG 3.59Å; I300-I312 HydrophobicContact CG1-CG2 4.23Å
301	R	98.8	Very high	98.7	Very high	38 Å²	38	26.3 Å²	26.3	14%	0.143	14%	0.141	C	C	.	.			trans	-83.2	58.3	-174	-55.4	-60.8	-163	-164.2	6.4	111.6	D50 W83 E87 K303 A304 C310 P311 T313 Y315	D50-R301 IonicContact OD1-CZ 3.95Å; D50-R301 IonicContact OD1-NH1 3.42Å; D50-R301 PolarHBondContact OD1-NH1 3.22Å; D50-R301 IonicContact OD1-NH2 2.7Å; D50-R301 PolarHBondContact OD1-NH2 3.06Å; D50-R301 IonicContact OD2-CZ 2.79Å; D50-R301 IonicContact OD2-NH1 3.73Å; D50-R301 IonicContact OD2-NH2 3.09Å; D50-R301 PolarHBondContact OD2-NH2 3.26Å; W83-R301 HydrophobicContact CH2-CB 4.12Å; W83-R301 HydrophobicContact CH2-CG 3.78Å; W83-R301 HydrophobicContact CZ2-CB 3.67Å; W83-R301 HydrophobicContact CZ2-CG 3.6Å; E87-R301 IonicContact OE1-CZ 2.95Å; E87-R301 IonicContact OE1-NE 3.94Å; E87-R301 PolarHBondContact OE1-NE 3.42Å; E87-R301 IonicContact OE1-NH2 2.75Å; E87-R301 PolarHBondContact OE1-NH2 2.89Å; E87-R301 IonicContact OE2-CZ 3.02Å; E87-R301 IonicContact OE2-NE 2.94Å; E87-R301 IonicContact OE2-NH2 3.83Å; R301-K303 PolarHBondContact O-N 2.94Å; R301-A304 HydrophobicContact CB-CB 4.39Å; R301-A304 WeakPolarHBondContact O-CB 3.06Å; R301-A304 PolarHBondContact O-N 3.16Å; R301-C310 WeakPolarHBondContact O-CB 3.45Å; R301-P311 HydrophobicContact CB-CB 4.31Å; R301-P311 HydrophobicContact CB-CG 3.75Å; R301-P311 VanDerWaalsContact CB-O 3.27Å; R301-P311 WeakPolarHBondContact CB-O 3.43Å; R301-P311 HydrophobicContact CG-CB 4.47Å; R301-P311 HydrophobicContact CG-CG 4.33Å; R301-P311 PolarHBondContact N-O 3.12Å; R301-T313 PolarHBondContact NE-OG1 3.3Å; R301-Y315 PolarHBondContact NH2-OH 3.47Å
302	S	98.4	Very high	98.7	Very high	24 Å²	24	26 Å²	26	17%	0.168	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-29.7	-168.5	-56.9	0	0	0	0	115	R274 I300	R274-S302 PolarHBondContact NH2-O 3.33Å; I300-S302 WeakPolarHBondContact CG2-OG 3.47Å; I300-S302 PolarHBondContact O-N 2.91Å; I300-S302 PolarHBondContact O-OG 3.32Å
303	K	98.4	Very high	98.7	Very high	165 Å²	165	24.7 Å²	24.7	72%	0.717	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-17.3	-177.9	-61	176.4	-174.8	169.6	0	113.3	E46 R301 L305	E46-K303 IonicContact OE1-NZ 2.85Å; E46-K303 PolarHBondContact OE1-NZ 2.85Å; R301-K303 PolarHBondContact O-N 2.94Å; K303-L305 PolarHBondContact O-N 3.25Å
304	A	98.4	Very high	98.7	Very high	6 Å²	6	20.5 Å²	20.5	5%	0.05	11%	0.106	C	C	.	.			trans	-75.8	120	-177.7	0	0	0	0	0	111.5	W67 W83 R274 R301 P311	W67-A304 HydrophobicContact CH2-CB 4.23Å; W67-A304 HydrophobicContact CZ2-CB 4.47Å; W83-A304 HydrophobicContact CD2-CB 3.91Å; W83-A304 HydrophobicContact CG-CB 4.02Å; W83-A304 HydrophobicContact CZ2-CB 4.14Å; R274-A304 PolarHBondContact NH2-O 2.98Å; R301-A304 HydrophobicContact CB-CB 4.39Å; R301-A304 WeakPolarHBondContact O-CB 3.06Å; R301-A304 PolarHBondContact O-N 3.16Å; A304-P311 HydrophobicContact CB-CG 3.72Å
305	L	98.4	Very high	98.7	Very high	119 Å²	119	20.2 Å²	20.2	62%	0.623	10%	0.101	S	C	*	.			trans	-94.5	170.3	-179	-57.8	178.6	0	0	0	111.2	W67 K303	W67-L305 VanDerWaalsContact CH2-O 3.26Å; W67-L305 WeakPolarHBondContact CH2-O 3.32Å; W67-L305 WeakPolarHBondContact CZ2-O 3.31Å; K303-L305 PolarHBondContact O-N 3.25Å
306	G	97.8	Very high	98.7	Very high	8 Å²	8	20.1 Å²	20.1	8%	0.082	10%	0.101	C	C	.	.	S	Bend	trans	133.5	-27.5	176.2	0	0	0	0	0	113.1	K78	K78-G306 WeakPolarHBondContact CD-O 3.47Å; K78-G306 PolarHBondContact NZ-O 3.48Å
307	S	98.8	Very high	98.7	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.021	10%	0.102	C	C	.	.	S	Bend	trans	-137.3	167	179.3	172.9	0	0	0	0	109.8	N68 R274 H309	N68-S307 VanDerWaalsContact O-CB 3.26Å; N68-S307 WeakPolarHBondContact O-CB 3.33Å; N68-S307 PolarHBondContact O-OG 2.82Å; R274-S307 PolarHBondContact NH1-O 3.21Å; S307-H309 CarbonylContact C-O 3.59Å; S307-H309 WeakPolarHBondContact CB-O 3.27Å; S307-H309 PolarHBondContact OG-N 2.93Å
308	D	98.6	Very high	98.6	Very high	23 Å²	23	24.5 Å²	24.5	12%	0.123	12%	0.124	C	C	.	.	S	Bend	trans	-70.1	-15.2	163.8	46.6	-0.3	0	0	0	111.8	D70 F266 W267 Y269	D70-D308 WeakPolarHBondContact CB-OD1 3.29Å; F266-D308 WeakPolarHBondContact CA-O 3.39Å; F266-D308 HydrophobicContact CD2-CB 4.19Å; F266-D308 HydrophobicContact CE2-CB 4.04Å; F266-D308 WeakPolarHBondContact CE2-OD2 3.45Å; W267-D308 PolarHBondContact N-O 3.11Å; W267-D308 WeakPolarHBondContact O-CB 3.27Å; Y269-D308 HydrophobicContact CD1-CB 4.3Å; Y269-D308 HydrophobicContact CD2-CB 3.92Å; Y269-D308 HydrophobicContact CE1-CB 3.96Å; Y269-D308 HydrophobicContact CE2-CB 3.54Å; Y269-D308 HydrophobicContact CG-CB 4.3Å; Y269-D308 PolarHBondContact OH-N 3.22Å
309	H	98.9	Very high	98.6	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.032	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-94.1	150.5	163.3	-63.3	-115.8	0	0	0	112.5	W67 N68 D210 T265 F266 D283 S307	W67-H309 PolarHBondContact NE1-O 2.98Å; N68-H309 HydrophobicContact CB-CB 4.01Å; D210-H309 IonicContact OD2-CE1 3.88Å; D210-H309 IonicContact OD2-NE2 3.88Å; T265-H309 CarbonylContact O-C 3.52Å; T265-H309 WeakPolarHBondContact O-CA 3.32Å; F266-H309 AromaticContact CD2-CD2 3.62Å; F266-H309 AromaticContact CD2-CE1 3.87Å; F266-H309 AromaticContact CD2-NE2 3.33Å; F266-H309 VanDerWaalsContact CD2-NE2 3.33Å; F266-H309 WeakPolarHBondContact CD2-NE2 3.1Å; D283-H309 IonicContact OD1-ND1 3.29Å; D283-H309 PolarHBondContact OD1-ND1 2.83Å; D283-H309 IonicContact OD2-CE1 3.99Å; D283-H309 IonicContact OD2-CG 3.18Å; D283-H309 IonicContact OD2-ND1 2.89Å; D283-H309 PolarHBondContact OD2-ND1 2.9Å; S307-H309 CarbonylContact C-O 3.59Å; S307-H309 WeakPolarHBondContact CB-O 3.27Å; S307-H309 PolarHBondContact OG-N 2.93Å
310	C	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-100.9	154.7	163.1	74.6	0	0	0	0	110.6	T265 W267 I300 R301	T265-C310 PolarHBondContact O-N 3.32Å; W267-C310 HydrophobicContact CH2-CB 4.43Å; W267-C310 HydrophobicContact CZ3-CB 3.95Å; I300-C310 VanDerWaalsContact CG2-SG 3.59Å; R301-C310 WeakPolarHBondContact O-CB 3.45Å
311	P	98.9	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-66.8	151.2	175.9	14.8	-9.4	0	0	0	111.3	S66 W67 W83 R301 A304	S66-P311 WeakPolarHBondContact O-CA 3.37Å; W67-P311 HydrophobicContact CB-CB 4.09Å; W67-P311 HydrophobicContact CD2-CB 3.71Å; W67-P311 HydrophobicContact CD2-CG 3.67Å; W67-P311 VanDerWaalsContact CE2-CD 3.5Å; W67-P311 HydrophobicContact CE3-CB 3.88Å; W67-P311 HydrophobicContact CE3-CG 3.69Å; W67-P311 HydrophobicContact CG-CB 3.83Å; W67-P311 HydrophobicContact CG-CG 4.27Å; W67-P311 HydrophobicContact CH2-CG 4.01Å; W67-P311 HydrophobicContact CZ2-CG 4Å; W67-P311 HydrophobicContact CZ3-CG 3.87Å; W83-P311 HydrophobicContact CD2-CG 4.21Å; W83-P311 HydrophobicContact CE3-CG 3.86Å; W83-P311 HydrophobicContact CH2-CB 3.6Å; W83-P311 HydrophobicContact CH2-CG 3.29Å; W83-P311 HydrophobicContact CZ2-CB 4.43Å; W83-P311 HydrophobicContact CZ2-CG 3.69Å; W83-P311 HydrophobicContact CZ3-CB 3.64Å; W83-P311 HydrophobicContact CZ3-CG 3.39Å; R301-P311 HydrophobicContact CB-CB 4.31Å; R301-P311 HydrophobicContact CB-CG 3.75Å; R301-P311 VanDerWaalsContact CB-O 3.27Å; R301-P311 WeakPolarHBondContact CB-O 3.43Å; R301-P311 HydrophobicContact CG-CB 4.47Å; R301-P311 HydrophobicContact CG-CG 4.33Å; R301-P311 PolarHBondContact N-O 3.12Å; A304-P311 HydrophobicContact CB-CG 3.72Å
312	I	98.9	Very high	98.5	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.2	167.2	55.7	169.2	0	0	0	109.5	C65 S66 T265 D283 Y284 F285 K299 I300	C65-I312 CarbonylContact C-O 3.53Å; C65-I312 WeakPolarHBondContact CA-O 3.12Å; S66-I312 PolarHBondContact N-O 2.58Å; S66-I312 WeakPolarHBondContact O-CG1 3.37Å; S66-I312 PolarHBondContact O-N 2.86Å; T265-I312 HydrophobicContact CG2-CG2 3.51Å; D283-I312 HydrophobicContact CB-CD1 3.79Å; D283-I312 HydrophobicContact CB-CG1 4.24Å; D283-I312 HydrophobicContact CB-CG2 4.23Å; Y284-I312 VanDerWaalsContact C-CD1 3.41Å; Y284-I312 WeakPolarHBondContact O-CD1 3.49Å; F285-I312 HydrophobicContact CD2-CB 4.42Å; F285-I312 HydrophobicContact CD2-CD1 3.64Å; F285-I312 HydrophobicContact CD2-CG1 4.05Å; F285-I312 HydrophobicContact CE2-CB 4.05Å; F285-I312 HydrophobicContact CE2-CD1 3.68Å; F285-I312 HydrophobicContact CE2-CG1 3.6Å; F285-I312 HydrophobicContact CG-CD1 4.48Å; F285-I312 HydrophobicContact CZ-CG1 4.4Å; K299-I312 VanDerWaalsContact O-CA 3.24Å; K299-I312 WeakPolarHBondContact O-CA 3.43Å; K299-I312 WeakPolarHBondContact O-CB 3.21Å; I300-I312 HydrophobicContact CG1-CG2 4.23Å
313	T	98.9	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.9	-176.1	-61.1	0	0	0	0	111.2	K63 I64 E87 S298 K299 R301 Y315	K63-T313 HydrophobicContact CD-CG2 4.28Å; K63-T313 VanDerWaalsContact CE-CG2 3.45Å; K63-T313 HydrophobicContact CG-CG2 3.8Å; I64-T313 CarbonylContact O-C 3.54Å; I64-T313 VanDerWaalsContact O-CA 3.31Å; I64-T313 WeakPolarHBondContact O-CA 3.42Å; E87-T313 WeakPolarHBondContact OE1-CB 3.33Å; E87-T313 VanDerWaalsContact OE1-CG2 3.29Å; E87-T313 WeakPolarHBondContact OE1-CG2 3.19Å; E87-T313 PolarHBondContact OE1-OG1 3.45Å; S298-T313 CarbonylContact C-O 3.48Å; S298-T313 WeakPolarHBondContact CA-O 3.19Å; K299-T313 PolarHBondContact N-O 3.34Å; K299-T313 PolarHBondContact O-N 3.01Å; R301-T313 PolarHBondContact NE-OG1 3.3Å; T313-Y315 HydrophobicContact CG2-CD2 4.17Å; T313-Y315 HydrophobicContact CG2-CE2 3.68Å
314	L	98.9	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.5	175.1	-171.3	72.1	0	0	0	110.5	K63 I64 V206 F285 L287 L295 L316	K63-L314 WeakPolarHBondContact CA-O 3.49Å; I64-L314 HydrophobicContact CB-CB 4.33Å; I64-L314 HydrophobicContact CD1-CD2 4.37Å; I64-L314 PolarHBondContact N-O 2.87Å; I64-L314 PolarHBondContact O-N 3.26Å; V206-L314 HydrophobicContact CG1-CD2 4.05Å; F285-L314 HydrophobicContact CB-CD1 4.05Å; F285-L314 HydrophobicContact CB-CD2 4.39Å; F285-L314 HydrophobicContact CD1-CB 3.83Å; F285-L314 HydrophobicContact CD1-CD2 3.78Å; F285-L314 HydrophobicContact CD1-CG 4.29Å; F285-L314 HydrophobicContact CD2-CB 3.8Å; F285-L314 HydrophobicContact CD2-CD1 4.45Å; F285-L314 HydrophobicContact CE1-CB 3.8Å; F285-L314 HydrophobicContact CE1-CD2 4.28Å; F285-L314 HydrophobicContact CE2-CB 3.76Å; F285-L314 HydrophobicContact CG-CB 3.84Å; F285-L314 HydrophobicContact CG-CD1 4.15Å; F285-L314 HydrophobicContact CG-CD2 4.14Å; F285-L314 HydrophobicContact CG-CG 4.28Å; F285-L314 HydrophobicContact CZ-CB 3.77Å; L287-L314 HydrophobicContact CD1-CD1 4.31Å; L287-L314 HydrophobicContact CD2-CD2 3.76Å; L295-L314 HydrophobicContact CD1-CD1 3.56Å; L314-L316 HydrophobicContact CD1-CD2 4.44Å; L314-L316 HydrophobicContact CD2-CD1 3.88Å; L314-L316 HydrophobicContact CD2-CD2 4.05Å; L314-L316 HydrophobicContact CD2-CG 3.81Å; L314-L316 HydrophobicContact CG-CD2 4.15Å; L314-L316 HydrophobicContact CG-CG 4.07Å
315	Y	98.9	Very high	98.5	Very high	9 Å²	9	19.5 Å²	19.5	4%	0.035	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.2	170.1	-72.1	-84.3	0	0	0	110.2	D50 K52 A60 K63 C296 D297 K299 R301 T313	D50-Y315 HydrophobicContact CB-CE2 4.32Å; D50-Y315 PolarHBondContact OD2-OH 2.83Å; K52-Y315 HydrophobicContact CD-CE1 4.36Å; K52-Y315 HydrophobicContact CG-CD1 4.39Å; K52-Y315 HydrophobicContact CG-CE1 4.23Å; A60-Y315 HydrophobicContact CB-CD1 3.97Å; A60-Y315 HydrophobicContact CB-CG 4.49Å; K63-Y315 HydrophobicContact CB-CD1 4.3Å; K63-Y315 HydrophobicContact CB-CE1 4.12Å; K63-Y315 HydrophobicContact CD-CE1 3.68Å; K63-Y315 WeakPolarHBondContact CE-OH 3.31Å; K63-Y315 HydrophobicContact CG-CD1 4.22Å; K63-Y315 HydrophobicContact CG-CE1 3.75Å; K63-Y315 PolarHBondContact NZ-OH 3.33Å; C296-Y315 WeakPolarHBondContact CB-O 3.48Å; C296-Y315 PolarHBondContact N-O 2.86Å; D297-Y315 HydrophobicContact CB-CD2 4.37Å; D297-Y315 PolarHBondContact N-O 3.21Å; D297-Y315 PolarHBondContact O-N 3Å; K299-Y315 HydrophobicContact CG-CD2 4.26Å; K299-Y315 HydrophobicContact CG-CE2 4.04Å; R301-Y315 PolarHBondContact NH2-OH 3.47Å; T313-Y315 HydrophobicContact CG2-CD2 4.17Å; T313-Y315 HydrophobicContact CG2-CE2 3.68Å
316	L	98.9	Very high	98.5	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139	175.6	-61.4	-178.4	0	0	0	111.3	A60 T61 L62 V206 L287 A294 L295 L314 L318	A60-L316 CarbonylContact C-O 3.47Å; A60-L316 WeakPolarHBondContact CA-O 3.35Å; T61-L316 PolarHBondContact N-O 3.27Å; L62-L316 HydrophobicContact CB-CB 4.44Å; L62-L316 PolarHBondContact N-O 3.32Å; L62-L316 PolarHBondContact O-N 3.36Å; V206-L316 HydrophobicContact CG2-CD1 4.19Å; L287-L316 HydrophobicContact CD1-CD2 4.29Å; A294-L316 CarbonylContact O-C 3.53Å; A294-L316 VanDerWaalsContact O-CA 3.31Å; A294-L316 WeakPolarHBondContact O-CA 3.45Å; L295-L316 HydrophobicContact CB-CD2 4.34Å; L295-L316 HydrophobicContact CD1-CD2 4.14Å; L314-L316 HydrophobicContact CD1-CD2 4.44Å; L314-L316 HydrophobicContact CD2-CD1 3.88Å; L314-L316 HydrophobicContact CD2-CD2 4.05Å; L314-L316 HydrophobicContact CD2-CG 3.81Å; L314-L316 HydrophobicContact CG-CD2 4.15Å; L314-L316 HydrophobicContact CG-CG 4.07Å; L316-L318 HydrophobicContact CB-CD2 4.13Å; L316-L318 HydrophobicContact CB-CG 3.94Å; L316-L318 HydrophobicContact CD1-CD2 4.15Å; L316-L318 HydrophobicContact CD1-CG 4.43Å
317	A	98.7	Very high	98.6	Very high	7 Å²	7	12.2 Å²	12.2	6%	0.058	7%	0.065	C	C	.	.			trans	-97.5	75.4	167.8	0	0	0	0	0	109.7	K58 P59 A294	K58-A317 HydrophobicContact CB-CB 3.84Å; P59-A317 WeakPolarHBondContact O-CB 3.13Å; A294-A317 WeakPolarHBondContact CB-O 3.42Å; A294-A317 PolarHBondContact O-N 2.84Å
318	L	95.9	Very high	98.6	Very high	91 Å²	91	13 Å²	13	48%	0.476	7%	0.069	S	C	.	.			trans	-78.3	0	175.6	-59.1	-177.1	0	0	0	111.2	T61 L62 F165 L291 A294 L316	T61-L318 PolarHBondContact OG1-N 2.78Å; T61-L318 PolarHBondContact OG1-O 2.74Å; L62-L318 HydrophobicContact CB-CD1 4.3Å; L62-L318 HydrophobicContact CD2-CD1 3.59Å; F165-L318 HydrophobicContact CD1-CD1 3.68Å; F165-L318 HydrophobicContact CE1-CD1 3.75Å; L291-L318 HydrophobicContact CD2-CD2 4.04Å; A294-L318 HydrophobicContact CB-CD2 4.19Å; L316-L318 HydrophobicContact CB-CD2 4.13Å; L316-L318 HydrophobicContact CB-CG 3.94Å; L316-L318 HydrophobicContact CD1-CD2 4.15Å; L316-L318 HydrophobicContact CD1-CG 4.43Å

Retrieved 318 of 318 residues in 276.3 ms (Link to these results)

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