A0A096N4P9_PAPAN Loading...

Ornithine transcarbamylase, mitochondrial

Catalyzes the second step of the urea cycle, the condensation of carbamoyl phosphate with L-ornithine to form L-citrulline. The urea cycle ensures the detoxification of ammonia by converting it to urea for excretion.

AlphaFold DB (A0A0D9RNI9), UniProt , Accession A0A096N4P9, Species PAPAN (Papio anubis, Olive baboon), Gene OTC, Length 354 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	32.5	Very low	33.3	Very low	226 Å²	226	170.9 Å²	170.9	100%	1.113	84%	0.844	S	S	*	*				0	106	0	-78.7	174.4	174.7	0	0	106.7
2	L	33.3	Very low	33.3	Very low	141 Å²	141	164.8 Å²	164.8	74%	0.738	84%	0.841	S	S	*	*				70.5	125.3	105.4	-66.9	166.1	0	0	0	110.6
3	F	31.6	Very low	33.4	Very low	185 Å²	185	159.7 Å²	159.7	81%	0.811	84%	0.839	S	S	*	*			cis	-165	153.1	21.9	-122.9	-74.5	0	0	0	109.4
4	N	37.1	Very low	33.3	Very low	147 Å²	147	163.4 Å²	163.4	79%	0.786	85%	0.845	S	S	*	*			trans	-57.3	146	161.5	-89.9	-37.3	0	0	0	113
5	L	36.1	Very low	33.5	Very low	155 Å²	155	167.8 Å²	167.8	81%	0.812	85%	0.846	S	S	*	*				175	131.5	123.2	-128.3	71.9	0	0	0	110.9
6	R	30.5	Very low	33.4	Very low	253 Å²	253	167.5 Å²	167.5	96%	0.955	85%	0.848	S	S	*	*			trans	-162.1	111.2	139.2	-109.3	171.7	-167.5	-155.9	2.8	110.5
7	I	35.8	Very low	34.1	Very low	143 Å²	143	161.5 Å²	161.5	73%	0.733	84%	0.838	S	S	*	*			trans	-107.8	143.9	160.5	-50.7	179.1	0	0	0	106.2
8	L	30.8	Very low	34.1	Very low	154 Å²	154	162.7 Å²	162.7	81%	0.806	84%	0.838	S	S	*	*			trans	135.9	99.1	137.7	-74.2	164.9	0	0	0	113.6
9	L	34	Very low	34.1	Very low	152 Å²	152	160.2 Å²	160.2	80%	0.796	84%	0.836	S	S	*	*			trans	-18.5	133.6	145.9	-71.2	147.1	0	0	0	115.3
10	N	30.9	Very low	33.8	Very low	168 Å²	168	161.9 Å²	161.9	90%	0.898	84%	0.837	S	S	*	*			trans	-118.6	116.7	158.3	-130.3	-0.2	0	0	0	108.7
11	N	33.5	Very low	33.9	Very low	156 Å²	156	159.8 Å²	159.8	83%	0.834	83%	0.831	S	S	*	*			trans	-81.8	125.3	173.9	-85	-33.9	0	0	0	109.3
12	A	34.1	Very low	33.7	Very low	98 Å²	98	154.7 Å²	154.7	81%	0.81	81%	0.812	S	S	*	*			trans	-117.8	113.2	158.2	0	0	0	0	0	107.9
13	A	33.6	Very low	33.7	Very low	98 Å²	98	157.8 Å²	157.8	81%	0.81	81%	0.814	S	S	*	*			trans	-81.4	124.5	-179.9	0	0	0	0	0	110.5
14	F	32.5	Very low	33.6	Very low	211 Å²	211	155.9 Å²	155.9	93%	0.925	81%	0.813	S	S	*	*			trans	-118.7	119	154.6	-99.8	-88.1	0	0	0	108.1
15	R	35.8	Very low	33.4	Very low	230 Å²	230	157.8 Å²	157.8	87%	0.868	81%	0.814	S	S	*	*			trans	-80.2	124.7	169	-79.7	179.7	170.3	-175.4	-2.7	108.7
16	N	32.9	Very low	33.3	Very low	163 Å²	163	161.7 Å²	161.7	87%	0.872	82%	0.818	S	S	*	*				-175.3	144.2	116.2	-91.1	-16.4	0	0	0	110
17	G	44.7	Very low	33.7	Very low	65 Å²	65	155.7 Å²	155.7	67%	0.67	81%	0.813	S	S	*	*			trans	-73.9	138	-151.9	0	0	0	0	0	115
18	H	34	Very low	33.7	Very low	184 Å²	184	151.8 Å²	151.8	85%	0.852	81%	0.808	S	S	*	*			trans	-154.7	138.2	137.5	-87.7	-58.1	0	0	0	107.8	F20	H18-F20 PolarHBondContact O-N 3.24Å
19	S	34.6	Very low	33.9	Very low	114 Å²	114	153.1 Å²	153.1	80%	0.797	81%	0.811	S	S	*	*			trans	-64.4	116.8	-173.4	59.7	0	0	0	0	111.6
20	F	28.8	Very low	34.4	Very low	194 Å²	194	151.5 Å²	151.5	85%	0.851	81%	0.809	S	S	*	*			trans	-90	105.7	165.9	-93.9	-89.4	0	0	0	109.4	H18 V22	H18-F20 PolarHBondContact O-N 3.24Å; F20-V22 PolarHBondContact O-N 2.88Å
21	V	34	Very low	35	Very low	118 Å²	118	151.7 Å²	151.7	72%	0.715	81%	0.809	S	S	*	*			trans	-69.7	108.9	163	176.3	0	0	0	0	106.9	R23	V21-R23 PolarHBondContact O-N 2.89Å
22	V	30.2	Very low	35.7	Very low	119 Å²	119	153 Å²	153	72%	0.721	81%	0.81	S	S	*	*			trans	-68.5	97.3	169.1	179.9	0	0	0	0	107.4	F20 N24	F20-V22 PolarHBondContact O-N 2.88Å; V22-N24 PolarHBondContact O-N 2.83Å
23	R	33	Very low	36.8	Very low	207 Å²	207	151.4 Å²	151.4	78%	0.781	79%	0.788	S	S	*	*			trans	-70.2	98.2	165.6	-81.4	-175.2	175.6	-177.8	-0	107.7	V21 F25	V21-R23 PolarHBondContact O-N 2.89Å; R23-F25 VanDerWaalsContact C-N 3.33Å; R23-F25 PolarHBondContact O-N 2.97Å
24	N	29.1	Very low	39.2	Very low	144 Å²	144	156.4 Å²	156.4	77%	0.77	79%	0.792	S	S	*	*			trans	-61.1	99.5	160.5	-82	-23.4	0	0	0	107.9	V22 R26	V22-N24 PolarHBondContact O-N 2.83Å; N24-R26 PolarHBondContact O-N 3.14Å
25	F	32.2	Very low	42.2	Very low	188 Å²	188	147.9 Å²	147.9	83%	0.825	76%	0.757	S	S	*	*			trans	-65.7	91.9	160.9	-82	-88.6	0	0	0	107.2	R23 C27	R23-F25 VanDerWaalsContact C-N 3.33Å; R23-F25 PolarHBondContact O-N 2.97Å; F25-C27 VanDerWaalsContact C-N 3.33Å; F25-C27 PolarHBondContact O-N 3.24Å
26	R	34.6	Very low	45.1	Very low	237 Å²	237	144.8 Å²	144.8	89%	0.894	75%	0.752	S	S	*	*			trans	-64.9	103.6	158.5	-81.4	-174.3	176.4	-171.4	-0.6	105.8	N24 G28	N24-R26 PolarHBondContact O-N 3.14Å; R26-G28 PolarHBondContact O-N 3.07Å
27	C	39.7	Very low	48.2	Very low	126 Å²	126	137.2 Å²	137.2	85%	0.851	71%	0.712	S	S	*	*			trans	-50.6	109.8	159.7	-169.3	0	0	0	0	106.1	F25 Q29	F25-C27 VanDerWaalsContact C-N 3.33Å; F25-C27 PolarHBondContact O-N 3.24Å; C27-Q29 PolarHBondContact O-N 2.88Å
28	G	34.5	Very low	50.8	Low	61 Å²	61	139.3 Å²	139.3	63%	0.629	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-55.5	127.9	175.8	0	0	0	0	0	107.7	R26	R26-G28 PolarHBondContact O-N 3.07Å
29	Q	35.8	Very low	53.8	Low	183 Å²	183	133.1 Å²	133.1	86%	0.855	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-53.6	136.9	165.1	-73.1	-176.8	-31.9	0	0	107.4	C27 L31	C27-Q29 PolarHBondContact O-N 2.88Å; Q29-L31 PolarHBondContact O-N 3.25Å
30	P	43	Very low	56.9	Low	118 Å²	118	131 Å²	131	77%	0.766	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-54.5	131.3	170.6	-8.7	19.4	0	0	0	106.8	Q32	P30-Q32 VanDerWaalsContact C-N 3.28Å; P30-Q32 PolarHBondContact O-N 3.12Å
31	L	43.8	Very low	60.2	Low	172 Å²	172	124.3 Å²	124.3	90%	0.901	64%	0.636	S	S	*	*			trans	-54.2	98	171.4	-83.7	152.8	0	0	0	107.3	Q29 N33	Q29-L31 PolarHBondContact O-N 3.25Å; L31-N33 PolarHBondContact O-N 3.07Å
32	Q	48.9	Very low	63.3	Low	182 Å²	182	118.7 Å²	118.7	85%	0.85	60%	0.602	S	S	*	*			trans	-56.4	113.9	173	-120.2	174	-3.3	0	0	106.1	P30 K34	P30-Q32 VanDerWaalsContact C-N 3.28Å; P30-Q32 PolarHBondContact O-N 3.12Å; Q32-K34 PolarHBondContact O-N 3.12Å
33	N	57.8	Low	66.6	Low	65 Å²	65	113.7 Å²	113.7	35%	0.348	57%	0.571	S	S	.	*			trans	-57.3	113.4	171.8	-97	-25.3	0	0	0	107.2	L31 V35 W58	L31-N33 PolarHBondContact O-N 3.07Å; N33-V35 PolarHBondContact O-N 3.29Å; N33-V35 VanDerWaalsContact O-N 3.17Å; N33-W58 WeakPolarHBondContact ND2-CH2 3.12Å; N33-W58 WeakPolarHBondContact ND2-CZ3 3.49Å; N33-W58 WeakPolarHBondContact OD1-CZ3 3.38Å
34	K	83.3	Confident	69.7	Low	204 Å²	204	104 Å²	104	89%	0.887	54%	0.535	S	S	*	.			trans	-68.9	-9.3	-175.4	-71.7	-175	176.2	-177	0	113.7	Q32	Q32-K34 PolarHBondContact O-N 3.12Å
35	V	95.2	Very high	73	Confident	31 Å²	31	97.1 Å²	97.1	19%	0.188	50%	0.498	C	S	.	.			trans	-89.4	122	-175.4	169.9	0	0	0	0	109.9	N33 L37 E51 E52 Y55	N33-V35 PolarHBondContact O-N 3.29Å; N33-V35 VanDerWaalsContact O-N 3.17Å; V35-L37 HydrophobicContact CG1-CD1 4.11Å; V35-L37 HydrophobicContact CG1-CD2 4.05Å; V35-L37 HydrophobicContact CG1-CG 3.68Å; V35-E51 HydrophobicContact CG2-CB 4.49Å; V35-E52 HydrophobicContact CG1-CB 4.46Å; V35-E52 HydrophobicContact CG1-CG 3.94Å; V35-E52 HydrophobicContact CG2-CG 4.37Å; V35-Y55 HydrophobicContact CB-CD2 4.33Å; V35-Y55 HydrophobicContact CB-CG 4.18Å; V35-Y55 HydrophobicContact CG1-CD1 3.92Å; V35-Y55 HydrophobicContact CG1-CD2 4.4Å; V35-Y55 HydrophobicContact CG1-CG 3.79Å
36	Q	96.3	Very high	76.2	Confident	166 Å²	166	92.4 Å²	92.4	78%	0.776	48%	0.477	S	S	*	.			trans	-117	104.7	176.5	-65.2	177.4	13.3	0	0	109.2
37	L	98.5	Very high	79.2	Confident	4 Å²	4	85 Å²	85	2%	0.021	46%	0.455	C	S	.	.			trans	-107.9	-13.8	179.7	-61.1	-176.7	0	0	0	113.8	V35 G39 R40 F48 E52 Y55 M56 S340 L341	V35-L37 HydrophobicContact CG1-CD1 4.11Å; V35-L37 HydrophobicContact CG1-CD2 4.05Å; V35-L37 HydrophobicContact CG1-CG 3.68Å; L37-G39 PolarHBondContact O-N 3.42Å; L37-R40 WeakPolarHBondContact O-CB 3.14Å; L37-R40 WeakPolarHBondContact O-CG 3.49Å; L37-R40 PolarHBondContact O-N 2.94Å; L37-F48 HydrophobicContact CD2-CD1 4.2Å; L37-F48 HydrophobicContact CD2-CE1 3.97Å; L37-E52 HydrophobicContact CD2-CB 4.06Å; L37-E52 HydrophobicContact CD2-CG 3.92Å; L37-Y55 HydrophobicContact CD1-CD1 3.78Å; L37-Y55 HydrophobicContact CD1-CE1 4.4Å; L37-Y55 HydrophobicContact CG-CD1 4.49Å; L37-M56 HydrophobicContact CD1-CG 3.74Å; L37-M56 HydrophobicContact CD1-SD 4.33Å; L37-S340 CarbonylContact C-O 3.57Å; L37-L341 HydrophobicContact CB-CD2 4.17Å; L37-L341 WeakPolarHBondContact O-CD2 3.43Å
38	K	98.6	Very high	82.1	Confident	109 Å²	109	79.1 Å²	79.1	47%	0.474	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	129.5	-176.8	-170.3	177.8	-179.9	-173.9	0	110.8	R40 S340 L341 D344	K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 3.44Å; K38-S340 WeakPolarHBondContact CA-O 3.41Å; K38-S340 PolarHBondContact N-O 2.9Å; K38-L341 CarbonylContact C-O 3.49Å; K38-L341 WeakPolarHBondContact CA-O 3.31Å; K38-D344 WeakPolarHBondContact CD-OD1 3.5Å; K38-D344 VanDerWaalsContact NZ-CG 3.31Å; K38-D344 IonicContact NZ-OD1 2.72Å; K38-D344 PolarHBondContact NZ-OD1 2.89Å; K38-D344 IonicContact NZ-OD2 2.75Å; K38-D344 PolarHBondContact NZ-OD2 2.82Å
39	G	98.4	Very high	85.1	Confident	53 Å²	53	79.9 Å²	79.9	55%	0.546	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-0.3	-178.9	0	0	0	0	0	115.7	L37 L341	L37-G39 PolarHBondContact O-N 3.42Å; G39-L341 PolarHBondContact N-O 3.13Å
40	R	98.8	Very high	88.1	Confident	69 Å²	69	71.8 Å²	71.8	26%	0.26	37%	0.374	S	S	.	.			trans	-81.2	154.5	176.9	-63.9	-173	63.4	-172.9	-5.4	112.1	L37 K38 N47 E52 L341	L37-R40 WeakPolarHBondContact O-CB 3.14Å; L37-R40 WeakPolarHBondContact O-CG 3.49Å; L37-R40 PolarHBondContact O-N 2.94Å; K38-R40 VanDerWaalsContact C-N 3.3Å; K38-R40 PolarHBondContact O-N 3.44Å; R40-N47 PolarHBondContact NH2-O 2.85Å; R40-E52 IonicContact CZ-OE1 3.68Å; R40-E52 IonicContact NH1-OE1 3.48Å; R40-E52 PolarHBondContact NH1-OE1 2.93Å; R40-E52 IonicContact NH1-OE2 3.75Å; R40-E52 PolarHBondContact NH1-OE2 2.88Å; R40-E52 VanDerWaalsContact NH1-OE2 3.13Å; R40-L341 HydrophobicContact CB-CD2 4.2Å; R40-L341 WeakPolarHBondContact O-CD2 3.28Å
41	D	98.9	Very high	90.7	Very high	54 Å²	54	70.1 Å²	70.1	29%	0.289	36%	0.356	S	S	.	.			trans	-84.1	150.9	166.3	-54.1	-59.7	0	0	0	112.1	L43 F48 I159	D41-L43 HydrophobicContact CB-CD2 4.19Å; D41-L43 HydrophobicContact CB-CG 4.04Å; D41-F48 VanDerWaalsContact O-CZ 3.31Å; D41-F48 WeakPolarHBondContact O-CZ 3.39Å; D41-I159 CarbonylContact C-O 3.54Å; D41-I159 WeakPolarHBondContact CA-O 3.5Å; D41-I159 WeakPolarHBondContact CB-O 3.49Å; D41-I159 PolarHBondContact OD1-N 3.24Å
42	L	98.9	Very high	93.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-117.8	74.1	171.7	-161.2	166.2	0	0	0	109.7	F48 M56 I159 I160 N161 P169 I170 L173 V337 L341	L42-F48 HydrophobicContact CB-CE2 4.38Å; L42-F48 HydrophobicContact CB-CZ 4.11Å; L42-F48 HydrophobicContact CD1-CZ 4.48Å; L42-F48 HydrophobicContact CG-CE2 4Å; L42-F48 HydrophobicContact CG-CZ 3.92Å; L42-M56 HydrophobicContact CD1-CE 4.38Å; L42-M56 HydrophobicContact CD1-SD 3.82Å; L42-I159 PolarHBondContact N-O 3.02Å; L42-I160 HydrophobicContact CB-CG2 4.46Å; L42-N161 WeakPolarHBondContact O-CB 3.41Å; L42-N161 PolarHBondContact O-N 3.48Å; L42-P169 HydrophobicContact CD2-CB 3.6Å; L42-P169 HydrophobicContact CD2-CG 3.38Å; L42-I170 HydrophobicContact CD2-CG2 4.21Å; L42-L173 HydrophobicContact CD1-CD1 4.34Å; L42-V337 HydrophobicContact CD1-CB 4.31Å; L42-V337 HydrophobicContact CD1-CG1 3.68Å; L42-V337 HydrophobicContact CD1-CG2 3.61Å; L42-L341 HydrophobicContact CB-CD1 4.4Å
43	L	98.9	Very high	95.7	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	28%	0.279	C	S	.	.	S	Bend	trans	-85.5	-37.8	178.4	-54.6	-167.8	0	0	0	112.8	D41 L148 D149 A152 I159 N161	D41-L43 HydrophobicContact CB-CD2 4.19Å; D41-L43 HydrophobicContact CB-CG 4.04Å; L43-L148 HydrophobicContact CD2-CB 4.21Å; L43-D149 WeakPolarHBondContact CD1-OD1 3.27Å; L43-A152 HydrophobicContact CD1-CB 3.82Å; L43-A152 HydrophobicContact CD2-CB 4.32Å; L43-A152 HydrophobicContact CG-CB 4.49Å; L43-I159 HydrophobicContact CD2-CB 4.08Å; L43-I159 HydrophobicContact CD2-CG2 3.76Å; L43-N161 VanDerWaalsContact O-CB 3.32Å; L43-N161 WeakPolarHBondContact O-CB 3.21Å; L43-N161 PolarHBondContact O-ND2 2.98Å
44	T	98.8	Very high	97.7	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.025	27%	0.27	C	S	.	.			trans	-160.9	147.4	179.7	167.5	0	0	0	0	110.3	K46 N47 F48 Y167	T44-K46 HydrophobicContact CG2-CB 4.28Å; T44-K46 HydrophobicContact CG2-CD 3.77Å; T44-K46 HydrophobicContact CG2-CG 3.62Å; T44-K46 PolarHBondContact O-N 2.96Å; T44-K46 VanDerWaalsContact O-N 3.15Å; T44-K46 PolarHBondContact OG1-N 2.87Å; T44-N47 PolarHBondContact O-N 3.28Å; T44-F48 WeakPolarHBondContact O-CD2 3.15Å; T44-Y167 HydrophobicContact CG2-CD2 4.27Å; T44-Y167 HydrophobicContact CG2-CE2 4.2Å
45	L	98.8	Very high	98.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-67	-9.9	177.3	-65.8	179.3	0	0	0	113.1	N47 F48 I53 M56 P169 I172 L173 M206 K210	L45-N47 PolarHBondContact O-N 3.42Å; L45-F48 PolarHBondContact O-N 3.13Å; L45-F48 VanDerWaalsContact O-N 3.17Å; L45-I53 HydrophobicContact CB-CD1 4.29Å; L45-I53 HydrophobicContact CD2-CD1 4.19Å; L45-I53 HydrophobicContact CD2-CG1 4.19Å; L45-M56 HydrophobicContact CD2-CE 4.37Å; L45-P169 HydrophobicContact CD1-CB 4.46Å; L45-P169 HydrophobicContact CD2-CB 4.21Å; L45-P169 HydrophobicContact CG-CB 3.73Å; L45-I172 HydrophobicContact CD1-CB 4.06Å; L45-I172 HydrophobicContact CD1-CG2 4.18Å; L45-L173 HydrophobicContact CD2-CD2 4.18Å; L45-M206 HydrophobicContact CB-CB 4.32Å; L45-K210 PolarHBondContact O-NZ 3.29Å
46	K	98.6	Very high	98.6	Very high	88 Å²	88	43.2 Å²	43.2	38%	0.383	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-55.7	-37.6	173.4	93.8	-177.3	177.2	166.8	0	111.3	T44 F48 M206 K210 L232 Y236	T44-K46 HydrophobicContact CG2-CB 4.28Å; T44-K46 HydrophobicContact CG2-CD 3.77Å; T44-K46 HydrophobicContact CG2-CG 3.62Å; T44-K46 PolarHBondContact O-N 2.96Å; T44-K46 VanDerWaalsContact O-N 3.15Å; T44-K46 PolarHBondContact OG1-N 2.87Å; K46-F48 VanDerWaalsContact C-N 3.26Å; K46-F48 PolarHBondContact O-N 3.49Å; K46-M206 HydrophobicContact CB-CB 4.44Å; K46-M206 HydrophobicContact CB-CG 4.02Å; K46-M206 HydrophobicContact CB-SD 3.49Å; K46-M206 WeakPolarHBondContact CB-SD 3.46Å; K46-K210 PolarHBondContact O-NZ 2.82Å; K46-L232 HydrophobicContact CB-CD2 4.34Å; K46-Y236 PolarHBondContact O-OH 2.89Å
47	N	98.6	Very high	98.7	Very high	81 Å²	81	35.3 Å²	35.3	43%	0.433	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-83.1	2.5	-174.9	-63.1	-21.7	0	0	0	113.5	R40 T44 L45	R40-N47 PolarHBondContact NH2-O 2.85Å; T44-N47 PolarHBondContact O-N 3.28Å; L45-N47 PolarHBondContact O-N 3.42Å
48	F	98.8	Very high	98.7	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	19%	0.19	C	C	.	.	S	Bend	trans	-115.8	136.5	-177.8	-69	-101.4	0	0	0	110.4	L37 D41 L42 T44 L45 K46 E52 I53 M56 K210	L37-F48 HydrophobicContact CD2-CD1 4.2Å; L37-F48 HydrophobicContact CD2-CE1 3.97Å; D41-F48 VanDerWaalsContact O-CZ 3.31Å; D41-F48 WeakPolarHBondContact O-CZ 3.39Å; L42-F48 HydrophobicContact CB-CE2 4.38Å; L42-F48 HydrophobicContact CB-CZ 4.11Å; L42-F48 HydrophobicContact CD1-CZ 4.48Å; L42-F48 HydrophobicContact CG-CE2 4Å; L42-F48 HydrophobicContact CG-CZ 3.92Å; T44-F48 WeakPolarHBondContact O-CD2 3.15Å; L45-F48 PolarHBondContact O-N 3.13Å; L45-F48 VanDerWaalsContact O-N 3.17Å; K46-F48 VanDerWaalsContact C-N 3.26Å; K46-F48 PolarHBondContact O-N 3.49Å; F48-E52 WeakPolarHBondContact CA-OE2 3.35Å; F48-E52 HydrophobicContact CB-CB 4.38Å; F48-E52 HydrophobicContact CD1-CB 4.08Å; F48-I53 HydrophobicContact CB-CD1 4.21Å; F48-I53 HydrophobicContact CB-CG1 3.74Å; F48-M56 HydrophobicContact CD1-CE 3.95Å; F48-M56 HydrophobicContact CE1-CE 4.2Å; F48-M56 HydrophobicContact CG-CE 4.46Å; F48-K210 WeakPolarHBondContact O-CD 3.38Å; F48-K210 PolarHBondContact O-NZ 2.9Å
49	T	98.8	Very high	98.7	Very high	78 Å²	78	31.2 Å²	31.2	48%	0.479	17%	0.167	S	C	.	.			trans	-74.7	162.3	172	68	0	0	0	0	110.8	E51 E52 I53	T49-E51 PolarHBondContact O-N 3.01Å; T49-E52 PolarHBondContact N-OE2 2.94Å; T49-E52 PolarHBondContact O-N 2.89Å; T49-E52 VanDerWaalsContact O-N 3.14Å; T49-E52 VanDerWaalsContact OG1-CG 3.29Å; T49-E52 WeakPolarHBondContact OG1-CG 3.42Å; T49-E52 PolarHBondContact OG1-N 2.87Å; T49-E52 PolarHBondContact OG1-OE2 3.05Å; T49-I53 WeakPolarHBondContact O-CG1 3.49Å; T49-I53 PolarHBondContact O-N 2.91Å; T49-I53 VanDerWaalsContact O-N 3.09Å
50	G	98.3	Very high	98.8	Very high	13 Å²	13	28.7 Å²	28.7	13%	0.134	14%	0.141	C	C	.	.	H	α-helix	trans	-56.8	-36.4	175.6	0	0	0	0	0	113.4	I53 K54	G50-I53 PolarHBondContact O-N 3.41Å; G50-K54 WeakPolarHBondContact O-CB 3.41Å; G50-K54 WeakPolarHBondContact O-CG 3.3Å; G50-K54 PolarHBondContact O-N 3.2Å
51	E	98.4	Very high	98.8	Very high	83 Å²	83	26 Å²	26	39%	0.388	13%	0.134	S	C	.	.	H	α-helix	trans	-71.1	-32.5	178.1	-71.8	-54	123.2	0	0	113.2	V35 T49 K54 Y55 K351	V35-E51 HydrophobicContact CG2-CB 4.49Å; T49-E51 PolarHBondContact O-N 3.01Å; E51-K54 WeakPolarHBondContact OE1-CD 3.35Å; E51-K54 IonicContact OE1-NZ 2.71Å; E51-K54 PolarHBondContact OE1-NZ 3.26Å; E51-Y55 WeakPolarHBondContact O-CB 3.17Å; E51-Y55 PolarHBondContact O-N 3.05Å; E51-K351 IonicContact OE2-NZ 2.87Å; E51-K351 PolarHBondContact OE2-NZ 3.4Å
52	E	98.8	Very high	98.8	Very high	29 Å²	29	23.5 Å²	23.5	14%	0.136	12%	0.12	C	C	.	.	H	α-helix	trans	-69.8	-40.8	175	-70.7	171.9	148.6	0	0	111.8	V35 L37 R40 F48 T49 Y55 M56	V35-E52 HydrophobicContact CG1-CB 4.46Å; V35-E52 HydrophobicContact CG1-CG 3.94Å; V35-E52 HydrophobicContact CG2-CG 4.37Å; L37-E52 HydrophobicContact CD2-CB 4.06Å; L37-E52 HydrophobicContact CD2-CG 3.92Å; R40-E52 IonicContact CZ-OE1 3.68Å; R40-E52 IonicContact NH1-OE1 3.48Å; R40-E52 PolarHBondContact NH1-OE1 2.93Å; R40-E52 IonicContact NH1-OE2 3.75Å; R40-E52 PolarHBondContact NH1-OE2 2.88Å; R40-E52 VanDerWaalsContact NH1-OE2 3.13Å; F48-E52 WeakPolarHBondContact CA-OE2 3.35Å; F48-E52 HydrophobicContact CB-CB 4.38Å; F48-E52 HydrophobicContact CD1-CB 4.08Å; T49-E52 PolarHBondContact N-OE2 2.94Å; T49-E52 PolarHBondContact O-N 2.89Å; T49-E52 VanDerWaalsContact O-N 3.14Å; T49-E52 VanDerWaalsContact OG1-CG 3.29Å; T49-E52 WeakPolarHBondContact OG1-CG 3.42Å; T49-E52 PolarHBondContact OG1-N 2.87Å; T49-E52 PolarHBondContact OG1-OE2 3.05Å; E52-Y55 WeakPolarHBondContact O-CB 3.28Å; E52-Y55 PolarHBondContact O-N 2.72Å; E52-M56 PolarHBondContact O-N 3.33Å; E52-M56 VanDerWaalsContact O-N 3.13Å
53	I	98.9	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.1	-43.7	175.6	-51.3	170.1	0	0	0	109.9	L45 F48 T49 G50 Y55 M56 L57 L173 K210 F211	L45-I53 HydrophobicContact CB-CD1 4.29Å; L45-I53 HydrophobicContact CD2-CD1 4.19Å; L45-I53 HydrophobicContact CD2-CG1 4.19Å; F48-I53 HydrophobicContact CB-CD1 4.21Å; F48-I53 HydrophobicContact CB-CG1 3.74Å; T49-I53 WeakPolarHBondContact O-CG1 3.49Å; T49-I53 PolarHBondContact O-N 2.91Å; T49-I53 VanDerWaalsContact O-N 3.09Å; G50-I53 PolarHBondContact O-N 3.41Å; I53-Y55 VanDerWaalsContact C-N 3.26Å; I53-Y55 PolarHBondContact O-N 2.7Å; I53-M56 HydrophobicContact CB-CE 4.4Å; I53-M56 HydrophobicContact CG1-CE 4.3Å; I53-M56 HydrophobicContact CG2-CE 4.38Å; I53-M56 PolarHBondContact O-N 2.97Å; I53-M56 VanDerWaalsContact O-N 3.13Å; I53-L57 WeakPolarHBondContact O-CG 3.49Å; I53-L57 PolarHBondContact O-N 3.5Å; I53-L173 HydrophobicContact CG2-CD2 3.61Å; I53-K210 HydrophobicContact CD1-CD 4.13Å; I53-F211 HydrophobicContact CB-CE2 3.81Å; I53-F211 HydrophobicContact CB-CZ 3.8Å; I53-F211 HydrophobicContact CD1-CE2 4.26Å; I53-F211 HydrophobicContact CG2-CE2 3.59Å; I53-F211 HydrophobicContact CG2-CZ 3.57Å
54	K	98.8	Very high	98.8	Very high	39 Å²	39	23.7 Å²	23.7	17%	0.17	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-35.7	172.8	-72.9	171.6	-165.1	170.9	0	112.6	G50 E51 L57 W58 F211 F354	G50-K54 WeakPolarHBondContact O-CB 3.41Å; G50-K54 WeakPolarHBondContact O-CG 3.3Å; G50-K54 PolarHBondContact O-N 3.2Å; E51-K54 WeakPolarHBondContact OE1-CD 3.35Å; E51-K54 IonicContact OE1-NZ 2.71Å; E51-K54 PolarHBondContact OE1-NZ 3.26Å; K54-L57 PolarHBondContact O-N 3Å; K54-W58 VanDerWaalsContact O-CB 3.29Å; K54-W58 WeakPolarHBondContact O-CB 3.35Å; K54-W58 PolarHBondContact O-N 2.8Å; K54-F211 HydrophobicContact CD-CE1 4.47Å; K54-F211 HydrophobicContact CG-CD1 4.18Å; K54-F211 HydrophobicContact CG-CE1 3.44Å; K54-F211 VanDerWaalsContact CG-CE1 3.44Å; K54-F211 HydrophobicContact CG-CZ 3.94Å; K54-F354 HydrophobicContact CB-CD2 4.01Å; K54-F354 HydrophobicContact CB-CE2 4.01Å; K54-F354 HydrophobicContact CD-CB 4.09Å; K54-F354 HydrophobicContact CD-CD2 4.05Å; K54-F354 HydrophobicContact CD-CG 4.2Å; K54-F354 HydrophobicContact CG-CB 4.17Å; K54-F354 HydrophobicContact CG-CD1 4.38Å; K54-F354 HydrophobicContact CG-CD2 3.79Å; K54-F354 HydrophobicContact CG-CE2 4.24Å; K54-F354 HydrophobicContact CG-CG 3.86Å
55	Y	98.8	Very high	98.8	Very high	21 Å²	21	27 Å²	27	8%	0.082	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-44.7	174.9	179.7	-96.8	0	0	0	111.4	V35 L37 E51 E52 I53 L57 W58 L59 Y345 P347	V35-Y55 HydrophobicContact CB-CD2 4.33Å; V35-Y55 HydrophobicContact CB-CG 4.18Å; V35-Y55 HydrophobicContact CG1-CD1 3.92Å; V35-Y55 HydrophobicContact CG1-CD2 4.4Å; V35-Y55 HydrophobicContact CG1-CG 3.79Å; L37-Y55 HydrophobicContact CD1-CD1 3.78Å; L37-Y55 HydrophobicContact CD1-CE1 4.4Å; L37-Y55 HydrophobicContact CG-CD1 4.49Å; E51-Y55 WeakPolarHBondContact O-CB 3.17Å; E51-Y55 PolarHBondContact O-N 3.05Å; E52-Y55 WeakPolarHBondContact O-CB 3.28Å; E52-Y55 PolarHBondContact O-N 2.72Å; I53-Y55 VanDerWaalsContact C-N 3.26Å; I53-Y55 PolarHBondContact O-N 2.7Å; Y55-L57 PolarHBondContact O-N 2.72Å; Y55-W58 AromaticContact CD2-CE3 3.97Å; Y55-W58 HydrophobicContact CD2-CE3 3.97Å; Y55-W58 HydrophobicContact CD2-CZ3 4.23Å; Y55-W58 HydrophobicContact CE2-CE3 4.38Å; Y55-W58 HydrophobicContact CE2-CZ3 4.39Å; Y55-W58 PolarHBondContact O-N 3.45Å; Y55-L59 HydrophobicContact CE1-CD2 4.44Å; Y55-L59 WeakPolarHBondContact O-CB 3.27Å; Y55-L59 PolarHBondContact O-N 3.23Å; Y55-Y345 PolarHBondContact OH-O 2.97Å; Y55-P347 HydrophobicContact CE2-CG 4.14Å
56	M	98.9	Very high	98.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-42.5	174.8	-67.5	-173.5	-73.8	0	0	111.9	L37 L42 L45 F48 E52 I53 L59 S60 L173 A336 V337	L37-M56 HydrophobicContact CD1-CG 3.74Å; L37-M56 HydrophobicContact CD1-SD 4.33Å; L42-M56 HydrophobicContact CD1-CE 4.38Å; L42-M56 HydrophobicContact CD1-SD 3.82Å; L45-M56 HydrophobicContact CD2-CE 4.37Å; F48-M56 HydrophobicContact CD1-CE 3.95Å; F48-M56 HydrophobicContact CE1-CE 4.2Å; F48-M56 HydrophobicContact CG-CE 4.46Å; E52-M56 PolarHBondContact O-N 3.33Å; E52-M56 VanDerWaalsContact O-N 3.13Å; I53-M56 HydrophobicContact CB-CE 4.4Å; I53-M56 HydrophobicContact CG1-CE 4.3Å; I53-M56 HydrophobicContact CG2-CE 4.38Å; I53-M56 PolarHBondContact O-N 2.97Å; I53-M56 VanDerWaalsContact O-N 3.13Å; M56-L59 PolarHBondContact O-N 2.65Å; M56-S60 WeakPolarHBondContact O-CB 3.3Å; M56-S60 PolarHBondContact O-N 3.03Å; M56-S60 PolarHBondContact O-OG 2.87Å; M56-L173 HydrophobicContact CE-CD1 4.43Å; M56-L173 HydrophobicContact CE-CD2 4.01Å; M56-L173 HydrophobicContact SD-CD1 4.24Å; M56-A336 WeakPolarHBondContact O-CB 3.38Å; M56-V337 HydrophobicContact SD-CG2 4.02Å
57	L	98.9	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.8	-39	176.9	-61.2	-175	0	0	0	112.6	I53 K54 Y55 S60 A61 L173 L177 L186 F211 F354	I53-L57 WeakPolarHBondContact O-CG 3.49Å; I53-L57 PolarHBondContact O-N 3.5Å; K54-L57 PolarHBondContact O-N 3Å; Y55-L57 PolarHBondContact O-N 2.72Å; L57-S60 WeakPolarHBondContact O-CB 3.36Å; L57-S60 PolarHBondContact O-N 3.44Å; L57-A61 PolarHBondContact O-N 2.71Å; L57-L173 HydrophobicContact CD2-CB 4.3Å; L57-L173 HydrophobicContact CD2-CD2 4.27Å; L57-L173 WeakPolarHBondContact CD2-O 3.34Å; L57-L177 HydrophobicContact CD2-CB 4.24Å; L57-L186 HydrophobicContact CD1-CD1 4.35Å; L57-F211 HydrophobicContact CD1-CE1 3.77Å; L57-F211 HydrophobicContact CD1-CZ 3.7Å; L57-F354 HydrophobicContact CB-CE1 3.7Å; L57-F354 HydrophobicContact CB-CZ 3.67Å; L57-F354 HydrophobicContact CD1-CD1 4.37Å; L57-F354 HydrophobicContact CD1-CE1 3.76Å; L57-F354 HydrophobicContact CG-CE1 4.4Å
58	W	98.8	Very high	98.8	Very high	27 Å²	27	26.5 Å²	26.5	10%	0.102	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-48.1	173.6	173.7	20.8	0	0	0	111.3	N33 K54 Y55 S60 A61 D62 P347 L349 K351 P352	N33-W58 WeakPolarHBondContact ND2-CH2 3.12Å; N33-W58 WeakPolarHBondContact ND2-CZ3 3.49Å; N33-W58 WeakPolarHBondContact OD1-CZ3 3.38Å; K54-W58 VanDerWaalsContact O-CB 3.29Å; K54-W58 WeakPolarHBondContact O-CB 3.35Å; K54-W58 PolarHBondContact O-N 2.8Å; Y55-W58 AromaticContact CD2-CE3 3.97Å; Y55-W58 HydrophobicContact CD2-CE3 3.97Å; Y55-W58 HydrophobicContact CD2-CZ3 4.23Å; Y55-W58 HydrophobicContact CE2-CE3 4.38Å; Y55-W58 HydrophobicContact CE2-CZ3 4.39Å; Y55-W58 PolarHBondContact O-N 3.45Å; W58-S60 PolarHBondContact O-N 2.76Å; W58-A61 PolarHBondContact O-N 2.88Å; W58-D62 PolarHBondContact O-N 2.99Å; W58-P347 HydrophobicContact CD2-CB 3.86Å; W58-P347 HydrophobicContact CD2-CG 3.8Å; W58-P347 HydrophobicContact CE3-CG 4.07Å; W58-P347 HydrophobicContact CG-CB 4.2Å; W58-P347 HydrophobicContact CG-CG 4.21Å; W58-P347 HydrophobicContact CH2-CB 4.4Å; W58-P347 HydrophobicContact CH2-CG 4.45Å; W58-P347 HydrophobicContact CZ2-CB 3.71Å; W58-P347 HydrophobicContact CZ2-CG 4.19Å; W58-P347 HydrophobicContact CZ3-CG 4.39Å; W58-L349 WeakPolarHBondContact CZ2-O 3.36Å; W58-L349 PolarHBondContact NE1-O 3.1Å; W58-K351 HydrophobicContact CD2-CB 4.01Å; W58-K351 HydrophobicContact CD2-CG 4.02Å; W58-K351 HydrophobicContact CE3-CB 4.34Å; W58-K351 HydrophobicContact CE3-CD 4.3Å; W58-K351 HydrophobicContact CE3-CG 4.14Å; W58-K351 HydrophobicContact CG-CB 4.38Å; W58-K351 HydrophobicContact CG-CG 4.2Å; W58-K351 HydrophobicContact CZ2-CB 4.3Å; W58-P352 VanDerWaalsContact CD1-CD 3.41Å
59	L	98.9	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-34	175.9	-178.6	60.6	0	0	0	111.9	Y55 M56 D62 L63 A336 V339 Y345 P347	Y55-L59 HydrophobicContact CE1-CD2 4.44Å; Y55-L59 WeakPolarHBondContact O-CB 3.27Å; Y55-L59 PolarHBondContact O-N 3.23Å; M56-L59 PolarHBondContact O-N 2.65Å; L59-D62 PolarHBondContact O-N 3.44Å; L59-L63 HydrophobicContact CD1-CD1 4.48Å; L59-L63 HydrophobicContact CD1-CG 4.32Å; L59-L63 HydrophobicContact CG-CD1 4.33Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.04Å; L59-A336 HydrophobicContact CB-CB 4.01Å; L59-A336 HydrophobicContact CD2-CB 4.1Å; L59-A336 VanDerWaalsContact CD2-O 3.27Å; L59-A336 WeakPolarHBondContact CD2-O 3.33Å; L59-A336 HydrophobicContact CG-CB 3.82Å; L59-V339 HydrophobicContact CD1-CG1 4.29Å; L59-V339 HydrophobicContact CD2-CB 4.09Å; L59-V339 HydrophobicContact CD2-CG1 3.94Å; L59-Y345 HydrophobicContact CD1-CD1 3.43Å; L59-Y345 VanDerWaalsContact CD1-CD1 3.43Å; L59-Y345 HydrophobicContact CD1-CE1 3.41Å; L59-Y345 VanDerWaalsContact CD1-CE1 3.41Å; L59-P347 HydrophobicContact CB-CG 4.07Å; L59-P347 HydrophobicContact CD1-CG 3.92Å
60	S	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-47.1	174.5	-52.1	0	0	0	0	111.8	M56 L57 W58 D62 L63 K64 T333 A336	M56-S60 WeakPolarHBondContact O-CB 3.3Å; M56-S60 PolarHBondContact O-N 3.03Å; M56-S60 PolarHBondContact O-OG 2.87Å; L57-S60 WeakPolarHBondContact O-CB 3.36Å; L57-S60 PolarHBondContact O-N 3.44Å; W58-S60 PolarHBondContact O-N 2.76Å; S60-D62 VanDerWaalsContact C-N 3.33Å; S60-D62 PolarHBondContact O-N 2.95Å; S60-L63 PolarHBondContact O-N 3.47Å; S60-K64 VanDerWaalsContact O-CB 3.27Å; S60-K64 WeakPolarHBondContact O-CB 3.22Å; S60-K64 PolarHBondContact O-N 3.4Å; S60-T333 WeakPolarHBondContact OG-CA 3.35Å; S60-A336 WeakPolarHBondContact OG-CB 3.36Å
61	A	98.9	Very high	98.7	Very high	13 Å²	13	37.2 Å²	37.2	11%	0.107	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176.2	0	0	0	0	0	111.8	L57 W58 F65 L177 L349 P352	L57-A61 PolarHBondContact O-N 2.71Å; W58-A61 PolarHBondContact O-N 2.88Å; A61-F65 VanDerWaalsContact O-CB 3.24Å; A61-F65 WeakPolarHBondContact O-CB 3.25Å; A61-F65 PolarHBondContact O-N 3.46Å; A61-L177 HydrophobicContact CB-CD1 4.35Å; A61-L349 HydrophobicContact CB-CD2 3.97Å; A61-P352 HydrophobicContact CB-CG 4.04Å
62	D	98.9	Very high	98.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-51.4	175.9	177.3	82.1	0	0	0	112.4	W58 L59 S60 K64 F65 R66 Y345 P347 Q348 L349	W58-D62 PolarHBondContact O-N 2.99Å; L59-D62 PolarHBondContact O-N 3.44Å; S60-D62 VanDerWaalsContact C-N 3.33Å; S60-D62 PolarHBondContact O-N 2.95Å; D62-K64 PolarHBondContact O-N 2.91Å; D62-F65 PolarHBondContact O-N 2.9Å; D62-R66 WeakPolarHBondContact O-CG 3.41Å; D62-R66 PolarHBondContact O-N 3.31Å; D62-Y345 VanDerWaalsContact OD2-CE1 3.29Å; D62-Y345 WeakPolarHBondContact OD2-CE1 3.49Å; D62-Y345 PolarHBondContact OD2-OH 3.18Å; D62-P347 HydrophobicContact CB-CB 3.98Å; D62-Q348 WeakPolarHBondContact OD1-CA 3.45Å; D62-Q348 PolarHBondContact OD1-N 3.07Å; D62-L349 HydrophobicContact CB-CB 3.91Å; D62-L349 PolarHBondContact OD1-N 3.39Å
63	L	98.9	Very high	98.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-43.3	178.1	-69.3	175.4	0	0	0	111.6	L59 S60 F65 I67 L74 L76 L104 M335 A336 V339	L59-L63 HydrophobicContact CD1-CD1 4.48Å; L59-L63 HydrophobicContact CD1-CG 4.32Å; L59-L63 HydrophobicContact CG-CD1 4.33Å; L59-L63 WeakPolarHBondContact O-CG 3.42Å; L59-L63 PolarHBondContact O-N 3.04Å; S60-L63 PolarHBondContact O-N 3.47Å; L63-F65 PolarHBondContact O-N 3.26Å; L63-I67 HydrophobicContact CB-CD1 4.5Å; L63-I67 HydrophobicContact CD2-CD1 4.41Å; L63-I67 VanDerWaalsContact O-CB 3.31Å; L63-I67 WeakPolarHBondContact O-CB 3.35Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.46Å; L63-L74 HydrophobicContact CD2-CD1 4.16Å; L63-L76 HydrophobicContact CD2-CD1 3.94Å; L63-L104 HydrophobicContact CD2-CD2 4.39Å; L63-M335 HydrophobicContact CD1-CB 4Å; L63-A336 HydrophobicContact CD1-CB 4.26Å; L63-V339 HydrophobicContact CD1-CG2 4.08Å
64	K	98.9	Very high	98.7	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.078	20%	0.202	C	C	.	.	I	π-helix	trans	-59.8	-45.9	175.9	-174.9	175.2	-174.4	179.2	0	111.1	S60 D62 K68 E181 N329 W332	S60-K64 VanDerWaalsContact O-CB 3.27Å; S60-K64 WeakPolarHBondContact O-CB 3.22Å; S60-K64 PolarHBondContact O-N 3.4Å; D62-K64 PolarHBondContact O-N 2.91Å; K64-K68 HydrophobicContact CG-CB 4.44Å; K64-K68 HydrophobicContact CG-CD 4.45Å; K64-K68 WeakPolarHBondContact O-CA 3.44Å; K64-K68 WeakPolarHBondContact O-CB 3.45Å; K64-K68 PolarHBondContact O-N 3.35Å; K64-E181 WeakPolarHBondContact CD-OE1 3.09Å; K64-E181 WeakPolarHBondContact CE-OE1 3.18Å; K64-E181 IonicContact NZ-OE1 3.75Å; K64-E181 PolarHBondContact NZ-OE1 3.5Å; K64-E181 IonicContact NZ-OE2 2.65Å; K64-E181 PolarHBondContact NZ-OE2 2.87Å; K64-N329 PolarHBondContact NZ-OD1 3.27Å; K64-W332 HydrophobicContact CB-CB 4.19Å; K64-W332 HydrophobicContact CB-CD2 3.74Å; K64-W332 HydrophobicContact CB-CE3 4.09Å; K64-W332 HydrophobicContact CB-CG 3.76Å; K64-W332 HydrophobicContact CD-CD2 4.44Å; K64-W332 HydrophobicContact CD-CG 3.95Å; K64-W332 HydrophobicContact CG-CD2 3.85Å; K64-W332 HydrophobicContact CG-CG 3.86Å; K64-W332 HydrophobicContact CG-CZ2 4.42Å
65	F	98.9	Very high	98.7	Very high	74 Å²	74	42.3 Å²	42.3	33%	0.325	21%	0.209	S	C	.	.	I	π-helix	trans	-61.1	-55.5	178	177.7	-104.3	0	0	0	111.7	A61 D62 L63 I67 Q69 K70 L349	A61-F65 VanDerWaalsContact O-CB 3.24Å; A61-F65 WeakPolarHBondContact O-CB 3.25Å; A61-F65 PolarHBondContact O-N 3.46Å; D62-F65 PolarHBondContact O-N 2.9Å; L63-F65 PolarHBondContact O-N 3.26Å; F65-I67 PolarHBondContact O-N 2.88Å; F65-Q69 HydrophobicContact CD2-CB 4.31Å; F65-Q69 HydrophobicContact CD2-CG 4.47Å; F65-Q69 VanDerWaalsContact CE2-OE1 3.31Å; F65-Q69 WeakPolarHBondContact O-CA 3.34Å; F65-Q69 VanDerWaalsContact O-CB 3.26Å; F65-Q69 WeakPolarHBondContact O-CB 3.33Å; F65-Q69 PolarHBondContact O-N 3.15Å; F65-K70 HydrophobicContact CD1-CD 4.09Å; F65-K70 HydrophobicContact CD1-CG 4.49Å; F65-K70 HydrophobicContact CE1-CD 3.44Å; F65-K70 VanDerWaalsContact CE1-CD 3.44Å; F65-K70 HydrophobicContact CE1-CG 4.02Å; F65-K70 HydrophobicContact CZ-CD 3.9Å; F65-K70 HydrophobicContact CZ-CG 4.11Å; F65-K70 PolarHBondContact O-N 2.9Å; F65-L349 HydrophobicContact CB-CD1 4.39Å; F65-L349 HydrophobicContact CB-CD2 4.32Å; F65-L349 HydrophobicContact CD1-CD1 3.83Å; F65-L349 HydrophobicContact CD2-CD1 4.43Å; F65-L349 HydrophobicContact CE1-CD1 4.18Å; F65-L349 HydrophobicContact CG-CD1 3.97Å
66	R	98.8	Very high	98.7	Very high	28 Å²	28	43.7 Å²	43.7	11%	0.106	22%	0.217	C	C	.	.	I	π-helix	trans	-64	-42.8	-175.2	-67.1	-174.1	68.9	-176.5	5.4	112.4	D62 K70 G71 E72 L74 Y345 Q348	D62-R66 WeakPolarHBondContact O-CG 3.41Å; D62-R66 PolarHBondContact O-N 3.31Å; R66-K70 CarbonylContact O-C 3.57Å; R66-K70 WeakPolarHBondContact O-CB 3.26Å; R66-G71 PolarHBondContact O-N 3.06Å; R66-E72 IonicContact CZ-OE2 3.13Å; R66-E72 IonicContact NE-OE1 3.97Å; R66-E72 IonicContact NE-OE2 3.19Å; R66-E72 PolarHBondContact NE-OE2 3.41Å; R66-E72 IonicContact NH2-OE2 2.94Å; R66-E72 PolarHBondContact NH2-OE2 3.02Å; R66-E72 WeakPolarHBondContact O-CB 3.5Å; R66-E72 PolarHBondContact O-N 3.08Å; R66-L74 HydrophobicContact CB-CD1 3.87Å; R66-Y345 PolarHBondContact NH1-OH 2.74Å; R66-Q348 VanDerWaalsContact CZ-OE1 3.25Å
67	I	98.8	Very high	98.7	Very high	20 Å²	20	43.7 Å²	43.7	10%	0.103	22%	0.217	C	C	.	.	I	π-helix	trans	-85.4	-52.8	-174.7	-59.3	168.4	0	0	0	110.9	L63 F65 G71 L74 L103 L104 W332 M335	L63-I67 HydrophobicContact CB-CD1 4.5Å; L63-I67 HydrophobicContact CD2-CD1 4.41Å; L63-I67 VanDerWaalsContact O-CB 3.31Å; L63-I67 WeakPolarHBondContact O-CB 3.35Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.46Å; F65-I67 PolarHBondContact O-N 2.88Å; I67-G71 VanDerWaalsContact O-CA 3.27Å; I67-G71 WeakPolarHBondContact O-CA 3.31Å; I67-G71 PolarHBondContact O-N 3.26Å; I67-L74 HydrophobicContact CD1-CD1 4.23Å; I67-L74 HydrophobicContact CG1-CD1 3.92Å; I67-L74 HydrophobicContact CG1-CG 4.19Å; I67-L103 HydrophobicContact CG2-CD1 4.4Å; I67-L103 HydrophobicContact CG2-CD2 3.93Å; I67-L103 HydrophobicContact CG2-CG 4.33Å; I67-L104 HydrophobicContact CD1-CD2 4.16Å; I67-W332 HydrophobicContact CB-CH2 4.25Å; I67-W332 HydrophobicContact CB-CZ3 3.98Å; I67-W332 HydrophobicContact CD1-CZ3 4.34Å; I67-W332 HydrophobicContact CG2-CH2 4.14Å; I67-W332 HydrophobicContact CG2-CZ3 4.16Å; I67-M335 HydrophobicContact CD1-CE 3.5Å
68	K	98.4	Very high	98.7	Very high	110 Å²	110	50.8 Å²	50.8	48%	0.478	25%	0.25	S	S	.	.	I	π-helix	trans	-74.7	-41.6	-174.5	-162.6	-173.9	179.9	-176.9	0	112.5	K64 E328 W332	K64-K68 HydrophobicContact CG-CB 4.44Å; K64-K68 HydrophobicContact CG-CD 4.45Å; K64-K68 WeakPolarHBondContact O-CA 3.44Å; K64-K68 WeakPolarHBondContact O-CB 3.45Å; K64-K68 PolarHBondContact O-N 3.35Å; K68-E328 WeakPolarHBondContact CE-OE1 3.08Å; K68-E328 IonicContact NZ-OE1 2.7Å; K68-E328 PolarHBondContact NZ-OE1 2.91Å; K68-E328 IonicContact NZ-OE2 2.72Å; K68-E328 PolarHBondContact NZ-OE2 2.79Å; K68-W332 HydrophobicContact CB-CH2 3.83Å; K68-W332 HydrophobicContact CB-CZ2 3.68Å; K68-W332 HydrophobicContact CD-CZ2 3.91Å; K68-W332 HydrophobicContact CG-CH2 4.49Å; K68-W332 HydrophobicContact CG-CZ2 3.97Å
69	Q	98.1	Very high	98.7	Very high	134 Å²	134	53 Å²	53	63%	0.626	28%	0.282	S	S	*	.	I	π-helix	trans	-94.1	-42.3	-172.8	-53.5	-175	-0.2	0	0	112.4	F65	F65-Q69 HydrophobicContact CD2-CB 4.31Å; F65-Q69 HydrophobicContact CD2-CG 4.47Å; F65-Q69 VanDerWaalsContact CE2-OE1 3.31Å; F65-Q69 WeakPolarHBondContact O-CA 3.34Å; F65-Q69 VanDerWaalsContact O-CB 3.26Å; F65-Q69 WeakPolarHBondContact O-CB 3.33Å; F65-Q69 PolarHBondContact O-N 3.15Å
70	K	98.6	Very high	98.7	Very high	120 Å²	120	56.5 Å²	56.5	52%	0.522	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-11.4	178.5	-64.4	-177	67.1	-160.9	0	114.4	F65 R66 E72	F65-K70 HydrophobicContact CD1-CD 4.09Å; F65-K70 HydrophobicContact CD1-CG 4.49Å; F65-K70 HydrophobicContact CE1-CD 3.44Å; F65-K70 VanDerWaalsContact CE1-CD 3.44Å; F65-K70 HydrophobicContact CE1-CG 4.02Å; F65-K70 HydrophobicContact CZ-CD 3.9Å; F65-K70 HydrophobicContact CZ-CG 4.11Å; F65-K70 PolarHBondContact O-N 2.9Å; R66-K70 CarbonylContact O-C 3.57Å; R66-K70 WeakPolarHBondContact O-CB 3.26Å; K70-E72 VanDerWaalsContact C-N 3.27Å; K70-E72 HydrophobicContact CB-CG 4.02Å; K70-E72 WeakPolarHBondContact CD-OE1 3.28Å; K70-E72 WeakPolarHBondContact CE-OE1 3.23Å; K70-E72 IonicContact NZ-OE1 3.32Å; K70-E72 PolarHBondContact NZ-OE1 3Å; K70-E72 PolarHBondContact O-N 2.63Å
71	G	98.4	Very high	98.7	Very high	64 Å²	64	57.7 Å²	57.7	66%	0.66	31%	0.305	S	S	*	.			trans	69.4	22.7	179.6	0	0	0	0	0	113.9	R66 I67	R66-G71 PolarHBondContact O-N 3.06Å; I67-G71 VanDerWaalsContact O-CA 3.27Å; I67-G71 WeakPolarHBondContact O-CA 3.31Å; I67-G71 PolarHBondContact O-N 3.26Å
72	E	98.7	Very high	98.7	Very high	45 Å²	45	57 Å²	57	21%	0.21	30%	0.3	C	S	.	.			trans	-74.9	142.4	-179.8	-62.7	178.5	-143.9	0	0	111.6	R66 K70 L74	R66-E72 IonicContact CZ-OE2 3.13Å; R66-E72 IonicContact NE-OE1 3.97Å; R66-E72 IonicContact NE-OE2 3.19Å; R66-E72 PolarHBondContact NE-OE2 3.41Å; R66-E72 IonicContact NH2-OE2 2.94Å; R66-E72 PolarHBondContact NH2-OE2 3.02Å; R66-E72 WeakPolarHBondContact O-CB 3.5Å; R66-E72 PolarHBondContact O-N 3.08Å; K70-E72 VanDerWaalsContact C-N 3.27Å; K70-E72 HydrophobicContact CB-CG 4.02Å; K70-E72 WeakPolarHBondContact CD-OE1 3.28Å; K70-E72 WeakPolarHBondContact CE-OE1 3.23Å; K70-E72 IonicContact NZ-OE1 3.32Å; K70-E72 PolarHBondContact NZ-OE1 3Å; K70-E72 PolarHBondContact O-N 2.63Å; E72-L74 HydrophobicContact CB-CD2 4.19Å; E72-L74 HydrophobicContact CB-CG 4.34Å
73	Y	98.5	Very high	98.7	Very high	150 Å²	150	57 Å²	57	59%	0.588	30%	0.3	S	S	*	.			trans	-94.8	120.9	166.9	-179.7	-118	0	0	0	109.9	P75	Y73-P75 HydrophobicContact CD1-CG 4.31Å; Y73-P75 HydrophobicContact CE1-CB 3.76Å; Y73-P75 HydrophobicContact CE1-CG 3.92Å; Y73-P75 WeakPolarHBondContact O-CD 3.45Å
74	L	98.6	Very high	98.7	Very high	14 Å²	14	57 Å²	57	7%	0.073	30%	0.3	C	S	.	.			trans	-122.1	87.8	-174.9	-58.4	-178.2	0	0	0	110.5	L63 R66 I67 E72 L76 L104	L63-L74 HydrophobicContact CD2-CD1 4.16Å; R66-L74 HydrophobicContact CB-CD1 3.87Å; I67-L74 HydrophobicContact CD1-CD1 4.23Å; I67-L74 HydrophobicContact CG1-CD1 3.92Å; I67-L74 HydrophobicContact CG1-CG 4.19Å; E72-L74 HydrophobicContact CB-CD2 4.19Å; E72-L74 HydrophobicContact CB-CG 4.34Å; L74-L76 HydrophobicContact CB-CD1 4.46Å; L74-L76 HydrophobicContact CB-CG 4.13Å; L74-L76 PolarHBondContact O-N 2.94Å; L74-L104 WeakPolarHBondContact O-CA 3.36Å
75	P	98.6	Very high	98.7	Very high	49 Å²	49	56.3 Å²	56.3	32%	0.318	30%	0.297	S	S	.	.			trans	-77.3	51	-177.7	33.6	-36.7	0	0	0	112.6	Y73 L77 Q78 L104	Y73-P75 HydrophobicContact CD1-CG 4.31Å; Y73-P75 HydrophobicContact CE1-CB 3.76Å; Y73-P75 HydrophobicContact CE1-CG 3.92Å; Y73-P75 WeakPolarHBondContact O-CD 3.45Å; P75-L77 PolarHBondContact O-N 3.28Å; P75-Q78 HydrophobicContact CB-CB 4.24Å; P75-Q78 WeakPolarHBondContact O-CB 3.46Å; P75-Q78 PolarHBondContact O-N 3.46Å; P75-L104 CarbonylContact C-O 3.6Å; P75-L104 WeakPolarHBondContact CA-O 3.11Å
76	L	98.8	Very high	98.6	Very high	50 Å²	50	53.2 Å²	53.2	26%	0.262	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23	-173.7	-61.1	178.5	0	0	0	113.7	L63 L74 L104 V339 T343 Y345	L63-L76 HydrophobicContact CD2-CD1 3.94Å; L74-L76 HydrophobicContact CB-CD1 4.46Å; L74-L76 HydrophobicContact CB-CG 4.13Å; L74-L76 PolarHBondContact O-N 2.94Å; L76-L104 HydrophobicContact CD1-CD2 4.39Å; L76-L104 PolarHBondContact N-O 2.84Å; L76-L104 VanDerWaalsContact N-O 3.13Å; L76-V339 HydrophobicContact CB-CG2 4.39Å; L76-V339 HydrophobicContact CD1-CG1 4.04Å; L76-V339 HydrophobicContact CD1-CG2 4.02Å; L76-T343 WeakPolarHBondContact O-CG2 3.24Å; L76-Y345 HydrophobicContact CD1-CD1 4.21Å; L76-Y345 HydrophobicContact CD1-CD2 3.85Å; L76-Y345 HydrophobicContact CD1-CE1 4.47Å; L76-Y345 HydrophobicContact CD1-CE2 4.15Å; L76-Y345 HydrophobicContact CD1-CG 3.88Å; L76-Y345 HydrophobicContact CD2-CD2 3.68Å; L76-Y345 HydrophobicContact CD2-CE2 4.19Å; L76-Y345 HydrophobicContact CD2-CG 4.32Å; L76-Y345 HydrophobicContact CG-CD2 4.45Å
77	L	98.9	Very high	98.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	24.4	179.6	-59	178.8	0	0	0	111.2	P75 G79 K80 F101 L104 G105 G106 M338 L342 T343	P75-L77 PolarHBondContact O-N 3.28Å; L77-G79 PolarHBondContact O-N 3.28Å; L77-K80 HydrophobicContact CB-CB 4.2Å; L77-K80 HydrophobicContact CB-CG 4.28Å; L77-K80 HydrophobicContact CD2-CG 4.46Å; L77-K80 VanDerWaalsContact O-CB 3.25Å; L77-K80 WeakPolarHBondContact O-CB 3.3Å; L77-K80 WeakPolarHBondContact O-CG 3.32Å; L77-K80 PolarHBondContact O-N 3.22Å; L77-F101 HydrophobicContact CD1-CD2 3.65Å; L77-F101 HydrophobicContact CD1-CE2 3.57Å; L77-F101 HydrophobicContact CD1-CG 4.39Å; L77-F101 HydrophobicContact CD1-CZ 4.24Å; L77-L104 CarbonylContact C-O 3.54Å; L77-L104 WeakPolarHBondContact CA-O 3.46Å; L77-L104 HydrophobicContact CB-CB 4.03Å; L77-L104 HydrophobicContact CD1-CB 3.91Å; L77-L104 HydrophobicContact CD1-CD1 3.63Å; L77-L104 HydrophobicContact CD1-CG 4.45Å; L77-L104 HydrophobicContact CG-CB 3.94Å; L77-L104 HydrophobicContact CG-CD1 4.18Å; L77-L104 PolarHBondContact N-O 2.96Å; L77-G105 CarbonylContact O-C 3.6Å; L77-G106 VanDerWaalsContact O-CA 3.23Å; L77-G106 WeakPolarHBondContact O-CA 3.44Å; L77-G106 PolarHBondContact O-N 2.8Å; L77-M338 HydrophobicContact CD1-CB 3.88Å; L77-L342 HydrophobicContact CD2-CB 4.05Å; L77-L342 HydrophobicContact CD2-CD1 4.22Å; L77-T343 HydrophobicContact CD2-CG2 3.6Å
78	Q	98.8	Very high	98.1	Very high	149 Å²	149	54.1 Å²	54.1	70%	0.696	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	129.1	177.1	-171.4	173.9	41.7	0	0	111.5	P75 K80 G105	P75-Q78 HydrophobicContact CB-CB 4.24Å; P75-Q78 WeakPolarHBondContact O-CB 3.46Å; P75-Q78 PolarHBondContact O-N 3.46Å; Q78-K80 PolarHBondContact O-N 2.81Å; Q78-G105 WeakPolarHBondContact CA-O 3.31Å
79	G	98.4	Very high	97.6	Very high	74 Å²	74	59.6 Å²	59.6	76%	0.763	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	5.4	-179	0	0	0	0	0	114.5	L77	L77-G79 PolarHBondContact O-N 3.28Å
80	K	98.9	Very high	97.4	Very high	73 Å²	73	54.1 Å²	54.1	32%	0.317	28%	0.283	S	S	.	.			trans	-91.6	148.7	174.4	-57.5	-66	-178.3	-173	0	111.5	L77 Q78 F101 G106 H107 D136	L77-K80 HydrophobicContact CB-CB 4.2Å; L77-K80 HydrophobicContact CB-CG 4.28Å; L77-K80 HydrophobicContact CD2-CG 4.46Å; L77-K80 VanDerWaalsContact O-CB 3.25Å; L77-K80 WeakPolarHBondContact O-CB 3.3Å; L77-K80 WeakPolarHBondContact O-CG 3.32Å; L77-K80 PolarHBondContact O-N 3.22Å; Q78-K80 PolarHBondContact O-N 2.81Å; K80-F101 HydrophobicContact CB-CE1 4.44Å; K80-F101 HydrophobicContact CB-CZ 3.96Å; K80-F101 WeakPolarHBondContact O-CE1 3.21Å; K80-G106 CarbonylContact O-C 3.57Å; K80-G106 VanDerWaalsContact O-CA 3.3Å; K80-G106 WeakPolarHBondContact O-CA 3.4Å; K80-H107 PolarHBondContact O-N 3.4Å; K80-D136 WeakPolarHBondContact CA-OD2 3.47Å; K80-D136 HydrophobicContact CB-CB 4.39Å; K80-D136 HydrophobicContact CD-CB 3.93Å; K80-D136 WeakPolarHBondContact CD-OD1 3.47Å; K80-D136 WeakPolarHBondContact CD-OD2 3.37Å; K80-D136 IonicContact NZ-OD1 2.84Å; K80-D136 PolarHBondContact NZ-OD1 2.85Å
81	S	98.9	Very high	97.3	Very high	25 Å²	25	52.6 Å²	52.6	18%	0.175	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.9	172.1	62	0	0	0	0	112.4	H107 M134 T135 D136	S81-H107 VanDerWaalsContact CA-O 3.28Å; S81-H107 WeakPolarHBondContact CA-O 3.05Å; S81-M134 PolarHBondContact OG-O 3.45Å; S81-T135 WeakPolarHBondContact OG-CA 3.29Å; S81-D136 PolarHBondContact N-OD2 3.46Å; S81-D136 PolarHBondContact O-N 2.77Å
82	L	98.9	Very high	97.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.4	178.6	174.8	69.4	0	0	0	109.9	M84 T97 F101 H107 C109 A137 L139 M338	L82-M84 HydrophobicContact CD2-CG 3.78Å; L82-M84 HydrophobicContact CD2-SD 4.15Å; L82-M84 HydrophobicContact CG-CG 3.85Å; L82-T97 HydrophobicContact CD2-CG2 3.37Å; L82-F101 HydrophobicContact CB-CD1 3.98Å; L82-F101 HydrophobicContact CB-CD2 3.92Å; L82-F101 HydrophobicContact CB-CE1 3.75Å; L82-F101 HydrophobicContact CB-CE2 3.7Å; L82-F101 HydrophobicContact CB-CG 4.07Å; L82-F101 HydrophobicContact CB-CZ 3.62Å; L82-F101 HydrophobicContact CD2-CB 4.42Å; L82-F101 HydrophobicContact CD2-CD2 3.88Å; L82-F101 HydrophobicContact CD2-CE2 4.33Å; L82-F101 HydrophobicContact CD2-CG 4.15Å; L82-F101 HydrophobicContact CG-CD2 4.46Å; L82-F101 HydrophobicContact CG-CE2 4.46Å; L82-H107 PolarHBondContact N-O 2.86Å; L82-C109 PolarHBondContact O-N 3.26Å; L82-A137 HydrophobicContact CD1-CB 3.79Å; L82-L139 HydrophobicContact CD1-CB 4.27Å; L82-M338 HydrophobicContact CD1-CE 3.8Å; L82-M338 HydrophobicContact CD1-SD 4.05Å; L82-M338 HydrophobicContact CD2-CE 3.68Å; L82-M338 HydrophobicContact CD2-SD 4.34Å; L82-M338 HydrophobicContact CG-CE 4.44Å
83	G	98.8	Very high	97.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.6	167.6	0	0	0	0	0	110.5	A137 V138 L139	G83-A137 PolarHBondContact N-O 2.88Å; G83-V138 CarbonylContact O-C 3.54Å; G83-V138 VanDerWaalsContact O-CA 3.26Å; G83-V138 WeakPolarHBondContact O-CA 3.44Å; G83-L139 PolarHBondContact O-N 3.1Å
84	M	98.8	Very high	97.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	94.8	-178.2	-69.7	-169.6	-55.6	0	0	110.5	L82 F86 T97 E98 P108 C109 F110 L111 L139	L82-M84 HydrophobicContact CD2-CG 3.78Å; L82-M84 HydrophobicContact CD2-SD 4.15Å; L82-M84 HydrophobicContact CG-CG 3.85Å; M84-F86 HydrophobicContact CB-CD2 4.31Å; M84-F86 HydrophobicContact CB-CE2 3.97Å; M84-T97 HydrophobicContact CG-CG2 4.28Å; M84-T97 HydrophobicContact SD-CG2 3.53Å; M84-T97 VanDerWaalsContact SD-CG2 3.53Å; M84-E98 HydrophobicContact CE-CB 4.03Å; M84-E98 HydrophobicContact CE-CG 4.13Å; M84-E98 HydrophobicContact SD-CB 4.46Å; M84-P108 HydrophobicContact CE-CB 3.69Å; M84-P108 HydrophobicContact SD-CB 4.23Å; M84-C109 WeakPolarHBondContact CB-O 3.37Å; M84-C109 PolarHBondContact N-O 3.21Å; M84-F110 HydrophobicContact CB-CD2 4.45Å; M84-F110 HydrophobicContact CE-CB 3.91Å; M84-F110 HydrophobicContact CE-CD2 4.22Å; M84-L111 PolarHBondContact O-N 3.26Å; M84-L111 VanDerWaalsContact O-O 3.14Å; M84-L139 CarbonylContact C-O 3.55Å; M84-L139 WeakPolarHBondContact CA-O 3.43Å
85	I	98.6	Very high	97.3	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.2	-178.6	-55.8	173.4	0	0	0	110.1	L111 I116 L131 V138 L139 A140 R141	I85-L111 WeakPolarHBondContact CA-O 3.48Å; I85-L111 HydrophobicContact CG1-CD1 4.36Å; I85-I116 HydrophobicContact CG2-CD1 4.05Å; I85-L131 HydrophobicContact CD1-CD1 3.73Å; I85-V138 HydrophobicContact CD1-CG1 4.04Å; I85-V138 HydrophobicContact CG1-CG1 4.31Å; I85-L139 PolarHBondContact N-O 3.4Å; I85-A140 HydrophobicContact CB-CB 4.27Å; I85-A140 WeakPolarHBondContact O-CA 3.42Å; I85-R141 PolarHBondContact O-N 2.98Å
86	F	98.3	Very high	97.3	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	109.2	179.2	-79.5	-104.3	0	0	0	112.1	M84 S90 T93 R94 F110 L111 L139 R141	M84-F86 HydrophobicContact CB-CD2 4.31Å; M84-F86 HydrophobicContact CB-CE2 3.97Å; F86-S90 VanDerWaalsContact CE1-CB 3.42Å; F86-T93 HydrophobicContact CE1-CG2 4.32Å; F86-T93 HydrophobicContact CZ-CG2 4.02Å; F86-R94 HydrophobicContact CZ-CB 4.48Å; F86-F110 HydrophobicContact CB-CE2 4Å; F86-F110 HydrophobicContact CB-CZ 4.28Å; F86-F110 HydrophobicContact CD1-CE2 4.45Å; F86-F110 AromaticContact CD2-CD2 3.96Å; F86-F110 HydrophobicContact CD2-CD2 3.96Å; F86-F110 AromaticContact CD2-CE2 3.48Å; F86-F110 HydrophobicContact CD2-CE2 3.48Å; F86-F110 VanDerWaalsContact CD2-CE2 3.48Å; F86-F110 HydrophobicContact CE2-CD2 4.33Å; F86-F110 HydrophobicContact CE2-CE2 4.06Å; F86-F110 AromaticContact CG-CE2 3.72Å; F86-F110 HydrophobicContact CG-CE2 3.72Å; F86-F110 HydrophobicContact CG-CZ 4.41Å; F86-L111 PolarHBondContact N-O 2.83Å; F86-L139 HydrophobicContact CE2-CD2 3.83Å; F86-L139 HydrophobicContact CZ-CD2 3.84Å; F86-R141 HydrophobicContact CD1-CB 3.79Å; F86-R141 HydrophobicContact CD1-CG 4.3Å; F86-R141 HydrophobicContact CE1-CB 3.92Å; F86-R141 HydrophobicContact CE1-CG 4.49Å; F86-R141 HydrophobicContact CG-CB 4.26Å
87	E	95.6	Very high	97.3	Very high	47 Å²	47	45.9 Å²	45.9	22%	0.22	23%	0.232	C	C	.	.	S	Bend	trans	-85.7	-18.8	169.7	-58.5	-177	155.6	0	0	112.3	T113 R141 V142 Y143	E87-T113 HydrophobicContact CB-CG2 4.28Å; E87-T113 HydrophobicContact CG-CG2 4.02Å; E87-R141 PolarHBondContact N-O 3.33Å; E87-V142 HydrophobicContact CG-CG1 4.47Å; E87-V142 WeakPolarHBondContact OE2-CA 3.29Å; E87-V142 WeakPolarHBondContact OE2-CB 3.19Å; E87-Y143 HydrophobicContact CB-CD2 3.95Å; E87-Y143 HydrophobicContact CB-CE2 3.94Å; E87-Y143 WeakPolarHBondContact OE2-CD2 3.43Å; E87-Y143 PolarHBondContact OE2-N 3.45Å
88	K	90.4	Very high	97.3	Very high	20 Å²	20	48.3 Å²	48.3	9%	0.087	24%	0.244	C	C	.	.	S	Bend	trans	-124.3	147.6	-178.4	-62	176.3	-178.7	176	0	110.7	R141 Y143 L163 M268	K88-R141 HydrophobicContact CB-CG 4.34Å; K88-Y143 HydrophobicContact CD-CE1 4.3Å; K88-Y143 HydrophobicContact CD-CE2 4.39Å; K88-Y143 VanDerWaalsContact CE-CZ 3.48Å; K88-Y143 HydrophobicContact CG-CD2 4.28Å; K88-Y143 HydrophobicContact CG-CE1 4.32Å; K88-Y143 HydrophobicContact CG-CE2 3.72Å; K88-L163 HydrophobicContact CD-CD2 4.24Å; K88-M268 HydrophobicContact CB-CE 3.93Å; K88-M268 HydrophobicContact CB-SD 4.39Å; K88-M268 HydrophobicContact CD-CE 4.22Å
89	R	88.9	Confident	97.3	Very high	225 Å²	225	43.9 Å²	43.9	85%	0.849	23%	0.227	S	C	*	.			trans	-56.9	144	176.3	-68	-176.6	178.4	-176.2	-0.4	111.4	R141	R89-R141 PolarHBondContact O-NH1 2.89Å
90	S	93.8	Very high	97.4	Very high	20 Å²	20	40.4 Å²	40.4	14%	0.14	19%	0.191	C	C	.	.			trans	-152.9	131.6	173.8	-163	0	0	0	0	111.9	F86 T93 R94 R141	F86-S90 VanDerWaalsContact CE1-CB 3.42Å; S90-T93 VanDerWaalsContact OG-CB 3.26Å; S90-T93 WeakPolarHBondContact OG-CB 3.46Å; S90-T93 PolarHBondContact OG-N 2.76Å; S90-T93 PolarHBondContact OG-OG1 3.29Å; S90-R94 VanDerWaalsContact O-CB 3.29Å; S90-R94 WeakPolarHBondContact O-CB 3.4Å; S90-R141 PolarHBondContact OG-NH1 3.28Å
91	T	96.5	Very high	97.4	Very high	87 Å²	87	37.1 Å²	37.1	53%	0.534	18%	0.177	S	C	.	.	S	Bend	trans	-94.2	-55.8	164.8	-51.4	0	0	0	0	110	L95	T91-L95 HydrophobicContact CG2-CD1 3.89Å; T91-L95 WeakPolarHBondContact O-CB 3.45Å; T91-L95 WeakPolarHBondContact O-CG 3.47Å; T91-L95 PolarHBondContact O-N 2.84Å
92	R	98.3	Very high	97.4	Very high	57 Å²	57	38.2 Å²	38.2	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-58.1	-172.1	-72.2	157.4	-65	-70.7	-5.2	112.3	R94 L95 S96 C303 L304 P305	R92-R94 VanDerWaalsContact C-N 3.27Å; R92-R94 PolarHBondContact O-N 2.92Å; R92-L95 PolarHBondContact O-N 2.98Å; R92-S96 WeakPolarHBondContact O-CB 3.3Å; R92-S96 PolarHBondContact O-N 3.37Å; R92-S96 PolarHBondContact O-OG 3.2Å; R92-C303 PolarHBondContact NE-O 3.02Å; R92-L304 VanDerWaalsContact CZ-C 3.47Å; R92-L304 VanDerWaalsContact CZ-O 3.27Å; R92-L304 PolarHBondContact NE-O 2.97Å; R92-L304 VanDerWaalsContact NE-O 3.15Å; R92-L304 PolarHBondContact NH2-O 2.68Å; R92-P305 VanDerWaalsContact NH2-N 3.14Å
93	T	98.3	Very high	97.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-39.4	179.3	-44.6	0	0	0	0	111.4	F86 S90 S96 T97 L139 I170 R330	F86-T93 HydrophobicContact CE1-CG2 4.32Å; F86-T93 HydrophobicContact CZ-CG2 4.02Å; S90-T93 VanDerWaalsContact OG-CB 3.26Å; S90-T93 WeakPolarHBondContact OG-CB 3.46Å; S90-T93 PolarHBondContact OG-N 2.76Å; S90-T93 PolarHBondContact OG-OG1 3.29Å; T93-S96 WeakPolarHBondContact CA-OG 3.09Å; T93-S96 PolarHBondContact O-OG 2.96Å; T93-T97 WeakPolarHBondContact O-CB 3.21Å; T93-T97 PolarHBondContact O-N 3.3Å; T93-T97 VanDerWaalsContact O-N 3.15Å; T93-T97 PolarHBondContact O-OG1 2.88Å; T93-L139 HydrophobicContact CG2-CD2 4.19Å; T93-I170 HydrophobicContact CG2-CD1 3.84Å; T93-R330 PolarHBondContact OG1-NH2 2.92Å
94	R	98.5	Very high	97.4	Very high	75 Å²	75	40.7 Å²	40.7	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-57.7	177.8	-176.7	179.3	177.8	-73.1	-16.9	111	F86 S90 R92 T97 E98 F110	F86-R94 HydrophobicContact CZ-CB 4.48Å; S90-R94 VanDerWaalsContact O-CB 3.29Å; S90-R94 WeakPolarHBondContact O-CB 3.4Å; R92-R94 VanDerWaalsContact C-N 3.27Å; R92-R94 PolarHBondContact O-N 2.92Å; R94-T97 PolarHBondContact O-N 3.26Å; R94-E98 IonicContact CZ-OE2 2.77Å; R94-E98 IonicContact NE-OE2 2.67Å; R94-E98 IonicContact NH1-OE2 2.85Å; R94-E98 IonicContact NH2-OE1 3.26Å; R94-E98 PolarHBondContact NH2-OE1 2.97Å; R94-E98 IonicContact NH2-OE2 3.21Å; R94-E98 PolarHBondContact NH2-OE2 2.71Å; R94-E98 WeakPolarHBondContact O-CB 3.43Å; R94-E98 PolarHBondContact O-N 3.22Å; R94-F110 HydrophobicContact CG-CD2 4.22Å; R94-F110 HydrophobicContact CG-CE2 3.95Å
95	L	98.8	Very high	97.4	Very high	85 Å²	85	41.8 Å²	41.8	45%	0.445	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-41.8	-177.2	-74.9	175.7	0	0	0	113	T91 R92 T97 T99	T91-L95 HydrophobicContact CG2-CD1 3.89Å; T91-L95 WeakPolarHBondContact O-CB 3.45Å; T91-L95 WeakPolarHBondContact O-CG 3.47Å; T91-L95 PolarHBondContact O-N 2.84Å; R92-L95 PolarHBondContact O-N 2.98Å; L95-T97 VanDerWaalsContact C-N 3.34Å; L95-T97 PolarHBondContact O-N 3.4Å; L95-T99 WeakPolarHBondContact O-CB 3.44Å; L95-T99 WeakPolarHBondContact O-CG2 3.48Å; L95-T99 PolarHBondContact O-N 3.3Å; L95-T99 PolarHBondContact O-OG1 3.14Å
96	S	98.8	Very high	97.4	Very high	10 Å²	10	42.1 Å²	42.1	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-44.5	-179.3	65	0	0	0	0	111.1	R92 T93 G100	R92-S96 WeakPolarHBondContact O-CB 3.3Å; R92-S96 PolarHBondContact O-N 3.37Å; R92-S96 PolarHBondContact O-OG 3.2Å; T93-S96 WeakPolarHBondContact CA-OG 3.09Å; T93-S96 PolarHBondContact O-OG 2.96Å; S96-G100 WeakPolarHBondContact O-CA 3.44Å; S96-G100 PolarHBondContact O-N 2.74Å
97	T	98.9	Very high	97.4	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-73.7	-50.2	-178.7	-56.1	0	0	0	0	111.3	L82 M84 T93 R94 L95 G100 F101 L139 I334 M338	L82-T97 HydrophobicContact CD2-CG2 3.37Å; M84-T97 HydrophobicContact CG-CG2 4.28Å; M84-T97 HydrophobicContact SD-CG2 3.53Å; M84-T97 VanDerWaalsContact SD-CG2 3.53Å; T93-T97 WeakPolarHBondContact O-CB 3.21Å; T93-T97 PolarHBondContact O-N 3.3Å; T93-T97 VanDerWaalsContact O-N 3.15Å; T93-T97 PolarHBondContact O-OG1 2.88Å; R94-T97 PolarHBondContact O-N 3.26Å; L95-T97 VanDerWaalsContact C-N 3.34Å; L95-T97 PolarHBondContact O-N 3.4Å; T97-G100 PolarHBondContact O-N 2.67Å; T97-F101 VanDerWaalsContact O-CB 3.3Å; T97-F101 WeakPolarHBondContact O-CB 3.33Å; T97-F101 PolarHBondContact O-N 2.96Å; T97-L139 HydrophobicContact CG2-CD1 4.02Å; T97-I334 HydrophobicContact CG2-CG1 4.32Å; T97-M338 HydrophobicContact CG2-CE 4.35Å
98	E	98.9	Very high	97.5	Very high	52 Å²	52	46.5 Å²	46.5	24%	0.243	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-52	-177	-169.2	173.1	132	0	0	110.8	M84 R94 G100 A102 P108	M84-E98 HydrophobicContact CE-CB 4.03Å; M84-E98 HydrophobicContact CE-CG 4.13Å; M84-E98 HydrophobicContact SD-CB 4.46Å; R94-E98 IonicContact CZ-OE2 2.77Å; R94-E98 IonicContact NE-OE2 2.67Å; R94-E98 IonicContact NH1-OE2 2.85Å; R94-E98 IonicContact NH2-OE1 3.26Å; R94-E98 PolarHBondContact NH2-OE1 2.97Å; R94-E98 IonicContact NH2-OE2 3.21Å; R94-E98 PolarHBondContact NH2-OE2 2.71Å; R94-E98 WeakPolarHBondContact O-CB 3.43Å; R94-E98 PolarHBondContact O-N 3.22Å; E98-G100 VanDerWaalsContact C-N 3.34Å; E98-G100 PolarHBondContact O-N 2.86Å; E98-A102 WeakPolarHBondContact O-CB 3.34Å; E98-A102 PolarHBondContact O-N 2.94Å; E98-A102 VanDerWaalsContact O-N 3.16Å; E98-P108 HydrophobicContact CB-CB 4.38Å; E98-P108 HydrophobicContact CB-CG 4.42Å; E98-P108 HydrophobicContact CG-CB 4.02Å; E98-P108 HydrophobicContact CG-CG 3.72Å; E98-P108 WeakPolarHBondContact O-CG 3.4Å
99	T	98.9	Very high	97.9	Very high	56 Å²	56	47.8 Å²	47.8	34%	0.344	25%	0.249	S	C	.	.	H	α-helix	trans	-73	-27.5	179.6	70.5	0	0	0	0	112.9	L95 L103 K331	L95-T99 WeakPolarHBondContact O-CB 3.44Å; L95-T99 WeakPolarHBondContact O-CG2 3.48Å; L95-T99 PolarHBondContact O-N 3.3Å; L95-T99 PolarHBondContact O-OG1 3.14Å; T99-L103 WeakPolarHBondContact O-CB 3.4Å; T99-L103 PolarHBondContact O-N 3.48Å; T99-L103 VanDerWaalsContact O-N 3.12Å; T99-K331 WeakPolarHBondContact OG1-CE 3.42Å; T99-K331 PolarHBondContact OG1-NZ 3.13Å
100	G	98.9	Very high	98.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-45.6	177	0	0	0	0	0	112.6	S96 T97 E98 L103 L104 M335	S96-G100 WeakPolarHBondContact O-CA 3.44Å; S96-G100 PolarHBondContact O-N 2.74Å; T97-G100 PolarHBondContact O-N 2.67Å; E98-G100 VanDerWaalsContact C-N 3.34Å; E98-G100 PolarHBondContact O-N 2.86Å; G100-L103 PolarHBondContact O-N 2.87Å; G100-L104 PolarHBondContact O-N 2.93Å; G100-M335 VanDerWaalsContact CA-CG 3.49Å
101	F	98.9	Very high	98.6	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-43.2	179.2	-160.4	-95	0	0	0	111.5	L77 K80 L82 T97 L103 L104 G106 P108 M338 L342	L77-F101 HydrophobicContact CD1-CD2 3.65Å; L77-F101 HydrophobicContact CD1-CE2 3.57Å; L77-F101 HydrophobicContact CD1-CG 4.39Å; L77-F101 HydrophobicContact CD1-CZ 4.24Å; K80-F101 HydrophobicContact CB-CE1 4.44Å; K80-F101 HydrophobicContact CB-CZ 3.96Å; K80-F101 WeakPolarHBondContact O-CE1 3.21Å; L82-F101 HydrophobicContact CB-CD1 3.98Å; L82-F101 HydrophobicContact CB-CD2 3.92Å; L82-F101 HydrophobicContact CB-CE1 3.75Å; L82-F101 HydrophobicContact CB-CE2 3.7Å; L82-F101 HydrophobicContact CB-CG 4.07Å; L82-F101 HydrophobicContact CB-CZ 3.62Å; L82-F101 HydrophobicContact CD2-CB 4.42Å; L82-F101 HydrophobicContact CD2-CD2 3.88Å; L82-F101 HydrophobicContact CD2-CE2 4.33Å; L82-F101 HydrophobicContact CD2-CG 4.15Å; L82-F101 HydrophobicContact CG-CD2 4.46Å; L82-F101 HydrophobicContact CG-CE2 4.46Å; T97-F101 VanDerWaalsContact O-CB 3.3Å; T97-F101 WeakPolarHBondContact O-CB 3.33Å; T97-F101 PolarHBondContact O-N 2.96Å; F101-L103 PolarHBondContact O-N 3.3Å; F101-L104 PolarHBondContact O-N 3.48Å; F101-G106 PolarHBondContact O-N 2.93Å; F101-G106 VanDerWaalsContact O-N 3.12Å; F101-P108 HydrophobicContact CB-CB 4.37Å; F101-P108 HydrophobicContact CD1-CB 4.48Å; F101-M338 HydrophobicContact CD2-CB 4.3Å; F101-M338 HydrophobicContact CD2-CG 4.04Å; F101-M338 HydrophobicContact CD2-SD 4.43Å; F101-M338 HydrophobicContact CE2-CB 4.43Å; F101-M338 HydrophobicContact CE2-CG 4.4Å; F101-M338 HydrophobicContact CE2-SD 4.4Å; F101-L342 HydrophobicContact CE2-CD1 4.21Å
102	A	98.9	Very high	98.6	Very high	48 Å²	48	37.8 Å²	37.8	40%	0.397	21%	0.205	S	C	.	.	H	α-helix	trans	-62.8	-39.1	174.9	0	0	0	0	0	113	E98 L104 G105 G106 P108	E98-A102 WeakPolarHBondContact O-CB 3.34Å; E98-A102 PolarHBondContact O-N 2.94Å; E98-A102 VanDerWaalsContact O-N 3.16Å; A102-L104 PolarHBondContact O-N 2.87Å; A102-G105 PolarHBondContact O-N 3.13Å; A102-G106 WeakPolarHBondContact CA-O 3.46Å; A102-P108 HydrophobicContact CB-CG 4.31Å
103	L	98.8	Very high	98.4	Very high	52 Å²	52	38.3 Å²	38.3	27%	0.272	21%	0.214	S	C	.	.	H	α-helix	trans	-62.7	-27	177.7	-177.3	58.8	0	0	0	112.8	I67 T99 G100 F101 G105 M335	I67-L103 HydrophobicContact CG2-CD1 4.4Å; I67-L103 HydrophobicContact CG2-CD2 3.93Å; I67-L103 HydrophobicContact CG2-CG 4.33Å; T99-L103 WeakPolarHBondContact O-CB 3.4Å; T99-L103 PolarHBondContact O-N 3.48Å; T99-L103 VanDerWaalsContact O-N 3.12Å; G100-L103 PolarHBondContact O-N 2.87Å; F101-L103 PolarHBondContact O-N 3.3Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-M335 HydrophobicContact CD2-CE 4.03Å; L103-M335 HydrophobicContact CD2-SD 4.31Å; L103-M335 HydrophobicContact CG-CE 4.44Å
104	L	98.9	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	9.2	174.1	-63.2	171.7	0	0	0	113.2	L63 I67 L74 P75 L76 L77 G100 F101 A102 M335 V339	L63-L104 HydrophobicContact CD2-CD2 4.39Å; I67-L104 HydrophobicContact CD1-CD2 4.16Å; L74-L104 WeakPolarHBondContact O-CA 3.36Å; P75-L104 CarbonylContact C-O 3.6Å; P75-L104 WeakPolarHBondContact CA-O 3.11Å; L76-L104 HydrophobicContact CD1-CD2 4.39Å; L76-L104 PolarHBondContact N-O 2.84Å; L76-L104 VanDerWaalsContact N-O 3.13Å; L77-L104 CarbonylContact C-O 3.54Å; L77-L104 WeakPolarHBondContact CA-O 3.46Å; L77-L104 HydrophobicContact CB-CB 4.03Å; L77-L104 HydrophobicContact CD1-CB 3.91Å; L77-L104 HydrophobicContact CD1-CD1 3.63Å; L77-L104 HydrophobicContact CD1-CG 4.45Å; L77-L104 HydrophobicContact CG-CB 3.94Å; L77-L104 HydrophobicContact CG-CD1 4.18Å; L77-L104 PolarHBondContact N-O 2.96Å; G100-L104 PolarHBondContact O-N 2.93Å; F101-L104 PolarHBondContact O-N 3.48Å; A102-L104 PolarHBondContact O-N 2.87Å; L104-M335 HydrophobicContact CD1-CB 3.94Å; L104-M335 HydrophobicContact CD1-CE 4.26Å; L104-M335 HydrophobicContact CD1-CG 4.03Å; L104-M335 HydrophobicContact CD2-CE 3.87Å; L104-M335 HydrophobicContact CG-CE 3.93Å; L104-V339 HydrophobicContact CD1-CG2 3.54Å; L104-V339 HydrophobicContact CD2-CG2 4.46Å
105	G	98.8	Very high	98	Very high	22 Å²	22	46.9 Å²	46.9	23%	0.227	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	4.9	176.8	0	0	0	0	0	115.6	L77 Q78 A102 L103	L77-G105 CarbonylContact O-C 3.6Å; Q78-G105 WeakPolarHBondContact CA-O 3.31Å; A102-G105 PolarHBondContact O-N 3.13Å; L103-G105 VanDerWaalsContact C-N 3.29Å
106	G	98.8	Very high	97.8	Very high	11 Å²	11	44.6 Å²	44.6	11%	0.113	25%	0.249	C	C	.	.			trans	-90.6	170.4	178	0	0	0	0	0	113.8	L77 K80 F101 A102 P108	L77-G106 VanDerWaalsContact O-CA 3.23Å; L77-G106 WeakPolarHBondContact O-CA 3.44Å; L77-G106 PolarHBondContact O-N 2.8Å; K80-G106 CarbonylContact O-C 3.57Å; K80-G106 VanDerWaalsContact O-CA 3.3Å; K80-G106 WeakPolarHBondContact O-CA 3.4Å; F101-G106 PolarHBondContact O-N 2.93Å; F101-G106 VanDerWaalsContact O-N 3.12Å; A102-G106 WeakPolarHBondContact CA-O 3.46Å; G106-P108 WeakPolarHBondContact O-CD 3.27Å
107	H	98.9	Very high	97.6	Very high	125 Å²	125	49.2 Å²	49.2	58%	0.579	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.5	176.2	-175.7	74.2	0	0	0	112.2	K80 S81 L82	K80-H107 PolarHBondContact O-N 3.4Å; S81-H107 VanDerWaalsContact CA-O 3.28Å; S81-H107 WeakPolarHBondContact CA-O 3.05Å; L82-H107 PolarHBondContact N-O 2.86Å
108	P	98.7	Very high	97.1	Very high	23 Å²	23	50.4 Å²	50.4	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.9	172.9	33	-34.5	0	0	0	111.2	M84 E98 F101 A102 G106	M84-P108 HydrophobicContact CE-CB 3.69Å; M84-P108 HydrophobicContact SD-CB 4.23Å; E98-P108 HydrophobicContact CB-CB 4.38Å; E98-P108 HydrophobicContact CB-CG 4.42Å; E98-P108 HydrophobicContact CG-CB 4.02Å; E98-P108 HydrophobicContact CG-CG 3.72Å; E98-P108 WeakPolarHBondContact O-CG 3.4Å; F101-P108 HydrophobicContact CB-CB 4.37Å; F101-P108 HydrophobicContact CD1-CB 4.48Å; A102-P108 HydrophobicContact CB-CG 4.31Å; G106-P108 WeakPolarHBondContact O-CD 3.27Å
109	C	98.8	Very high	96.3	Very high	46 Å²	46	51.6 Å²	51.6	31%	0.311	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109	178.6	-177.1	0	0	0	0	110.2	L82 M84	L82-C109 PolarHBondContact O-N 3.26Å; M84-C109 WeakPolarHBondContact CB-O 3.37Å; M84-C109 PolarHBondContact N-O 3.21Å
110	F	98.6	Very high	95.9	Very high	69 Å²	69	54.6 Å²	54.6	30%	0.303	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.2	-176.8	-175.8	-109.7	0	0	0	111.7	M84 F86 R94 T112	M84-F110 HydrophobicContact CB-CD2 4.45Å; M84-F110 HydrophobicContact CE-CB 3.91Å; M84-F110 HydrophobicContact CE-CD2 4.22Å; F86-F110 HydrophobicContact CB-CE2 4Å; F86-F110 HydrophobicContact CB-CZ 4.28Å; F86-F110 HydrophobicContact CD1-CE2 4.45Å; F86-F110 AromaticContact CD2-CD2 3.96Å; F86-F110 HydrophobicContact CD2-CD2 3.96Å; F86-F110 AromaticContact CD2-CE2 3.48Å; F86-F110 HydrophobicContact CD2-CE2 3.48Å; F86-F110 VanDerWaalsContact CD2-CE2 3.48Å; F86-F110 HydrophobicContact CE2-CD2 4.33Å; F86-F110 HydrophobicContact CE2-CE2 4.06Å; F86-F110 AromaticContact CG-CE2 3.72Å; F86-F110 HydrophobicContact CG-CE2 3.72Å; F86-F110 HydrophobicContact CG-CZ 4.41Å; R94-F110 HydrophobicContact CG-CD2 4.22Å; R94-F110 HydrophobicContact CG-CE2 3.95Å; F110-T112 HydrophobicContact CD1-CG2 4.1Å; F110-T112 HydrophobicContact CE1-CG2 3.32Å; F110-T112 HydrophobicContact CZ-CG2 3.7Å
111	L	98.1	Very high	95.6	Very high	32 Å²	32	60.4 Å²	60.4	17%	0.168	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.4	-173.9	-57.7	174.4	0	0	0	110.1	M84 I85 F86 I116 L131	M84-L111 PolarHBondContact O-N 3.26Å; M84-L111 VanDerWaalsContact O-O 3.14Å; I85-L111 WeakPolarHBondContact CA-O 3.48Å; I85-L111 HydrophobicContact CG1-CD1 4.36Å; F86-L111 PolarHBondContact N-O 2.83Å; L111-I116 HydrophobicContact CB-CG2 3.92Å; L111-I116 HydrophobicContact CD1-CG2 4.25Å; L111-I116 HydrophobicContact CD2-CG2 4.01Å; L111-I116 HydrophobicContact CG-CG2 4.28Å; L111-L131 HydrophobicContact CD1-CD2 4.25Å
112	T	97.1	Very high	95.4	Very high	22 Å²	22	63.3 Å²	63.3	14%	0.135	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	168.9	175.3	72.3	0	0	0	0	111.7	F110 Q114 D115 I116	F110-T112 HydrophobicContact CD1-CG2 4.1Å; F110-T112 HydrophobicContact CE1-CG2 3.32Å; F110-T112 HydrophobicContact CZ-CG2 3.7Å; T112-Q114 PolarHBondContact O-N 2.54Å; T112-Q114 VanDerWaalsContact O-N 3.13Å; T112-Q114 PolarHBondContact OG1-N 2.96Å; T112-Q114 PolarHBondContact OG1-OE1 3.46Å; T112-D115 WeakPolarHBondContact CA-OD2 3.36Å; T112-D115 VanDerWaalsContact CB-OD2 3.31Å; T112-D115 WeakPolarHBondContact CB-OD2 3.31Å; T112-D115 PolarHBondContact N-OD2 2.81Å; T112-D115 PolarHBondContact O-N 2.82Å; T112-D115 VanDerWaalsContact OG1-CG 3.25Å; T112-D115 PolarHBondContact OG1-OD2 3.48Å; T112-I116 PolarHBondContact O-N 2.84Å
113	T	92.7	Very high	95.3	Very high	67 Å²	67	63.5 Å²	63.5	41%	0.411	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.6	172.4	49.7	0	0	0	0	113.7	E87	E87-T113 HydrophobicContact CB-CG2 4.28Å; E87-T113 HydrophobicContact CG-CG2 4.02Å
114	Q	95.1	Very high	95.2	Very high	157 Å²	157	62.7 Å²	62.7	73%	0.734	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-19.6	173.3	-66.1	70.4	57.7	0	0	112.4	T112	T112-Q114 PolarHBondContact O-N 2.54Å; T112-Q114 VanDerWaalsContact O-N 3.13Å; T112-Q114 PolarHBondContact OG1-N 2.96Å; T112-Q114 PolarHBondContact OG1-OE1 3.46Å
115	D	94.8	Very high	95.1	Very high	101 Å²	101	64.6 Å²	64.6	54%	0.54	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-37.9	-173.9	-54.2	-52	0	0	0	112.5	T112	T112-D115 WeakPolarHBondContact CA-OD2 3.36Å; T112-D115 VanDerWaalsContact CB-OD2 3.31Å; T112-D115 WeakPolarHBondContact CB-OD2 3.31Å; T112-D115 PolarHBondContact N-OD2 2.81Å; T112-D115 PolarHBondContact O-N 2.82Å; T112-D115 VanDerWaalsContact OG1-CG 3.25Å; T112-D115 PolarHBondContact OG1-OD2 3.48Å
116	I	94.2	Very high	95.1	Very high	37 Å²	37	67.3 Å²	67.3	19%	0.19	38%	0.379	C	S	.	.	S	Bend	trans	-106.4	159.6	-171.3	68.8	177.4	0	0	0	112.8	I85 L111 T112 L118	I85-I116 HydrophobicContact CG2-CD1 4.05Å; L111-I116 HydrophobicContact CB-CG2 3.92Å; L111-I116 HydrophobicContact CD1-CG2 4.25Å; L111-I116 HydrophobicContact CD2-CG2 4.01Å; L111-I116 HydrophobicContact CG-CG2 4.28Å; T112-I116 PolarHBondContact O-N 2.84Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 HydrophobicContact CD1-CB 3.68Å; I116-L118 HydrophobicContact CD1-CD2 4.14Å; I116-L118 HydrophobicContact CG1-CB 3.9Å; I116-L118 PolarHBondContact O-N 3.41Å
117	H	94.7	Very high	95.1	Very high	106 Å²	106	67.2 Å²	67.2	49%	0.491	38%	0.376	S	S	.	.			trans	-79	-6.6	-178.5	-71.2	-44.8	0	0	0	115.3	G119 V120 N121 E122	H117-G119 PolarHBondContact O-N 2.94Å; H117-V120 PolarHBondContact O-N 3.22Å; H117-V120 VanDerWaalsContact O-N 3.13Å; H117-N121 HydrophobicContact CB-CB 3.95Å; H117-N121 PolarHBondContact ND1-ND2 2.67Å; H117-N121 PolarHBondContact O-N 2.95Å; H117-E122 HydrophobicContact CB-CB 3.58Å; H117-E122 PolarHBondContact O-N 2.97Å; H117-E122 VanDerWaalsContact O-N 3.07Å
118	L	88.6	Confident	95	Very high	28 Å²	28	61.3 Å²	61.3	15%	0.147	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-53.9	125.4	-173.7	-178.6	63.9	0	0	0	112.3	I116 V120 L124 T127	I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 HydrophobicContact CD1-CB 3.68Å; I116-L118 HydrophobicContact CD1-CD2 4.14Å; I116-L118 HydrophobicContact CG1-CB 3.9Å; I116-L118 PolarHBondContact O-N 3.41Å; L118-V120 PolarHBondContact O-N 3.14Å; L118-L124 HydrophobicContact CD1-CB 3.95Å; L118-L124 HydrophobicContact CD1-CD1 3.55Å; L118-L124 HydrophobicContact CD1-CG 4.34Å; L118-L124 HydrophobicContact CD2-CD1 4.14Å; L118-L124 HydrophobicContact CG-CD1 4.5Å; L118-T127 HydrophobicContact CD1-CG2 4.4Å
119	G	81.4	Confident	95	Very high	76 Å²	76	67.1 Å²	67.1	78%	0.784	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-6.5	175.6	0	0	0	0	0	115.2	H117 E122	H117-G119 PolarHBondContact O-N 2.94Å; G119-E122 PolarHBondContact N-O 3.49Å
120	V	90	Very high	95	Very high	120 Å²	120	67.8 Å²	67.8	73%	0.727	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-61	176.7	-173.8	0	0	0	0	110.7	H117 L118	H117-V120 PolarHBondContact O-N 3.22Å; H117-V120 VanDerWaalsContact O-N 3.13Å; L118-V120 PolarHBondContact O-N 3.14Å
121	N	93.1	Very high	95	Very high	122 Å²	122	65.5 Å²	65.5	65%	0.652	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-9.5	-174.5	-64.3	-25.3	0	0	0	113.2	H117	H117-N121 HydrophobicContact CB-CB 3.95Å; H117-N121 PolarHBondContact ND1-ND2 2.67Å; H117-N121 PolarHBondContact O-N 2.95Å
122	E	95.6	Very high	95	Very high	66 Å²	66	64.8 Å²	64.8	31%	0.308	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-141.5	144.9	-174.4	-166.7	167.6	-150.4	0	0	111.9	H117 G119 D126	H117-E122 HydrophobicContact CB-CB 3.58Å; H117-E122 PolarHBondContact O-N 2.97Å; H117-E122 VanDerWaalsContact O-N 3.07Å; G119-E122 PolarHBondContact N-O 3.49Å; E122-D126 HydrophobicContact CG-CB 4.02Å
123	S	96.7	Very high	95.1	Very high	51 Å²	51	68.2 Å²	68.2	36%	0.357	38%	0.383	S	S	.	.			trans	-75.7	154.9	176.8	83	0	0	0	0	111.1	T125 D126 T127	S123-T125 VanDerWaalsContact C-N 3.25Å; S123-T125 PolarHBondContact O-N 3.45Å; S123-D126 PolarHBondContact O-N 2.93Å; S123-D126 PolarHBondContact OG-N 2.93Å; S123-D126 VanDerWaalsContact OG-N 3.1Å; S123-D126 PolarHBondContact OG-OD2 3.4Å; S123-T127 WeakPolarHBondContact O-CB 3.41Å; S123-T127 PolarHBondContact O-N 2.85Å; S123-T127 PolarHBondContact O-OG1 2.84Å
124	L	95.8	Very high	95.4	Very high	35 Å²	35	71.4 Å²	71.4	18%	0.183	40%	0.395	C	S	.	.	H	α-helix	trans	-65.4	-31.6	175.9	-174.8	61.2	0	0	0	112	L118 A128 D147 T150 L151	L118-L124 HydrophobicContact CD1-CB 3.95Å; L118-L124 HydrophobicContact CD1-CD1 3.55Å; L118-L124 HydrophobicContact CD1-CG 4.34Å; L118-L124 HydrophobicContact CD2-CD1 4.14Å; L118-L124 HydrophobicContact CG-CD1 4.5Å; L124-A128 WeakPolarHBondContact O-CB 3.37Å; L124-A128 PolarHBondContact O-N 2.93Å; L124-D147 HydrophobicContact CD2-CB 3.85Å; L124-D147 WeakPolarHBondContact CD2-O 3.39Å; L124-T150 HydrophobicContact CD2-CG2 3.91Å; L124-T150 HydrophobicContact CG-CG2 4.25Å; L124-L151 HydrophobicContact CD1-CD1 4.09Å
125	T	97.7	Very high	95.6	Very high	41 Å²	41	64.8 Å²	64.8	25%	0.252	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-47.8	175.6	-64.7	0	0	0	0	112.1	S123 A128 R129 E154	S123-T125 VanDerWaalsContact C-N 3.25Å; S123-T125 PolarHBondContact O-N 3.45Å; T125-A128 WeakPolarHBondContact O-CB 3.48Å; T125-A128 PolarHBondContact O-N 2.79Å; T125-R129 WeakPolarHBondContact O-CG 3.27Å; T125-R129 PolarHBondContact O-N 3.12Å; T125-E154 HydrophobicContact CG2-CB 4.41Å; T125-E154 HydrophobicContact CG2-CG 3.91Å; T125-E154 WeakPolarHBondContact CG2-OE2 3.5Å
126	D	98.1	Very high	95.8	Very high	78 Å²	78	62 Å²	62	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-67.8	-42.9	179.7	-59.6	-40.4	0	0	0	110.5	E122 S123 A128 R129 V130	E122-D126 HydrophobicContact CG-CB 4.02Å; S123-D126 PolarHBondContact O-N 2.93Å; S123-D126 PolarHBondContact OG-N 2.93Å; S123-D126 VanDerWaalsContact OG-N 3.1Å; S123-D126 PolarHBondContact OG-OD2 3.4Å; D126-A128 VanDerWaalsContact C-N 3.3Å; D126-A128 PolarHBondContact O-N 2.82Å; D126-R129 PolarHBondContact O-N 3.19Å; D126-R129 VanDerWaalsContact O-N 3.13Å; D126-V130 WeakPolarHBondContact O-CG2 3.47Å; D126-V130 PolarHBondContact O-N 2.88Å
127	T	98.1	Very high	96	Very high	10 Å²	10	60.3 Å²	60.3	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-53.6	-46.5	173.5	-58.2	0	0	0	0	111.4	L118 S123 R129 V130 L131	L118-T127 HydrophobicContact CD1-CG2 4.4Å; S123-T127 WeakPolarHBondContact O-CB 3.41Å; S123-T127 PolarHBondContact O-N 2.85Å; S123-T127 PolarHBondContact O-OG1 2.84Å; T127-R129 VanDerWaalsContact C-N 3.35Å; T127-R129 PolarHBondContact O-N 2.92Å; T127-V130 PolarHBondContact O-N 3.34Å; T127-L131 HydrophobicContact CG2-CD1 3.78Å; T127-L131 HydrophobicContact CG2-CG 4.41Å; T127-L131 WeakPolarHBondContact O-CB 3.33Å; T127-L131 VanDerWaalsContact O-CG 3.28Å; T127-L131 WeakPolarHBondContact O-CG 3.46Å; T127-L131 PolarHBondContact O-N 2.74Å
128	A	98.2	Very high	96.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-43.1	179	0	0	0	0	0	112.6	L124 T125 D126 S132 L151 E154 A155	L124-A128 WeakPolarHBondContact O-CB 3.37Å; L124-A128 PolarHBondContact O-N 2.93Å; T125-A128 WeakPolarHBondContact O-CB 3.48Å; T125-A128 PolarHBondContact O-N 2.79Å; D126-A128 VanDerWaalsContact C-N 3.3Å; D126-A128 PolarHBondContact O-N 2.82Å; A128-S132 WeakPolarHBondContact O-CB 3.43Å; A128-S132 PolarHBondContact O-N 3.21Å; A128-S132 PolarHBondContact O-OG 2.84Å; A128-L151 HydrophobicContact CB-CD1 3.69Å; A128-E154 HydrophobicContact CB-CB 3.69Å; A128-A155 HydrophobicContact CB-CB 4.38Å
129	R	98.3	Very high	96.7	Very high	145 Å²	145	54 Å²	54	55%	0.547	31%	0.312	S	S	.	.	H	α-helix	trans	-70.4	-42.3	-178.9	-68.2	177.3	-175.4	-176.2	5	112	T125 D126 T127 S132 S133 E154	T125-R129 WeakPolarHBondContact O-CG 3.27Å; T125-R129 PolarHBondContact O-N 3.12Å; D126-R129 PolarHBondContact O-N 3.19Å; D126-R129 VanDerWaalsContact O-N 3.13Å; T127-R129 VanDerWaalsContact C-N 3.35Å; T127-R129 PolarHBondContact O-N 2.92Å; R129-S132 PolarHBondContact O-N 2.72Å; R129-S133 PolarHBondContact O-N 3.01Å; R129-E154 IonicContact CZ-OE2 3.82Å; R129-E154 IonicContact NE-OE2 3.7Å; R129-E154 IonicContact NH2-OE2 3.04Å; R129-E154 PolarHBondContact NH2-OE2 2.89Å
130	V	98.6	Very high	97.5	Very high	60 Å²	60	50.3 Å²	50.3	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-60.4	-50.9	175.4	173.3	0	0	0	0	109.9	D126 T127 S132 S133 M134	D126-V130 WeakPolarHBondContact O-CG2 3.47Å; D126-V130 PolarHBondContact O-N 2.88Å; T127-V130 PolarHBondContact O-N 3.34Å; V130-S132 VanDerWaalsContact C-N 3.29Å; V130-S132 PolarHBondContact O-N 2.81Å; V130-S133 PolarHBondContact O-N 2.84Å; V130-S133 PolarHBondContact O-OG 2.53Å; V130-M134 HydrophobicContact CG1-CE 3.8Å; V130-M134 HydrophobicContact CG1-SD 3.89Å; V130-M134 PolarHBondContact O-N 3.11Å
131	L	98.4	Very high	97.9	Very high	20 Å²	20	45.5 Å²	45.5	11%	0.105	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-38.8	178.5	-72.1	169.2	0	0	0	112.8	I85 L111 T127 S133 M134 T135 V138	I85-L131 HydrophobicContact CD1-CD1 3.73Å; L111-L131 HydrophobicContact CD1-CD2 4.25Å; T127-L131 HydrophobicContact CG2-CD1 3.78Å; T127-L131 HydrophobicContact CG2-CG 4.41Å; T127-L131 WeakPolarHBondContact O-CB 3.33Å; T127-L131 VanDerWaalsContact O-CG 3.28Å; T127-L131 WeakPolarHBondContact O-CG 3.46Å; T127-L131 PolarHBondContact O-N 2.74Å; L131-S133 PolarHBondContact O-N 3.01Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-M134 VanDerWaalsContact O-N 3.13Å; L131-T135 PolarHBondContact O-N 3.45Å; L131-T135 PolarHBondContact O-OG1 3.22Å; L131-V138 HydrophobicContact CB-CG2 4.09Å; L131-V138 HydrophobicContact CD1-CG2 4.08Å
132	S	98.6	Very high	98.1	Very high	17 Å²	17	40 Å²	40	12%	0.119	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-27.2	177.5	-62.5	0	0	0	0	113.8	A128 R129 V130 A155 S156	A128-S132 WeakPolarHBondContact O-CB 3.43Å; A128-S132 PolarHBondContact O-N 3.21Å; A128-S132 PolarHBondContact O-OG 2.84Å; R129-S132 PolarHBondContact O-N 2.72Å; V130-S132 VanDerWaalsContact C-N 3.29Å; V130-S132 PolarHBondContact O-N 2.81Å; S132-A155 WeakPolarHBondContact OG-CA 3.42Å; S132-A155 WeakPolarHBondContact OG-CB 3.22Å; S132-S156 WeakPolarHBondContact CB-OG 3.2Å; S132-S156 PolarHBondContact OG-N 3.16Å
133	S	98.4	Very high	98	Very high	94 Å²	94	42.2 Å²	42.2	66%	0.657	22%	0.221	S	C	*	.	H	α-helix	trans	-89.1	-17.4	178.4	72	0	0	0	0	114.2	R129 V130 L131	R129-S133 PolarHBondContact O-N 3.01Å; V130-S133 PolarHBondContact O-N 2.84Å; V130-S133 PolarHBondContact O-OG 2.53Å; L131-S133 PolarHBondContact O-N 3.01Å
134	M	98.8	Very high	98.1	Very high	134 Å²	134	45.5 Å²	45.5	66%	0.66	23%	0.229	S	C	*	.	H	α-helix	trans	-114	-17.4	-171.3	-63.4	-175.1	-177.9	0	0	113.6	S81 V130 L131	S81-M134 PolarHBondContact OG-O 3.45Å; V130-M134 HydrophobicContact CG1-CE 3.8Å; V130-M134 HydrophobicContact CG1-SD 3.89Å; V130-M134 PolarHBondContact O-N 3.11Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-M134 VanDerWaalsContact O-N 3.13Å
135	T	98.8	Very high	98.2	Very high	19 Å²	19	44.5 Å²	44.5	12%	0.117	22%	0.223	C	C	.	.			trans	-131	160.7	-177.7	63.9	0	0	0	0	111.9	S81 L131 A137 I157	S81-T135 WeakPolarHBondContact OG-CA 3.29Å; L131-T135 PolarHBondContact O-N 3.45Å; L131-T135 PolarHBondContact O-OG1 3.22Å; T135-A137 PolarHBondContact OG1-O 3.24Å; T135-I157 WeakPolarHBondContact OG1-CD1 3.37Å
136	D	98.9	Very high	98.2	Very high	43 Å²	43	45.3 Å²	45.3	23%	0.23	23%	0.23	C	C	.	.	S	Bend	trans	-93.3	-18.4	177.5	-64.5	-95.4	0	0	0	113	K80 S81 P158 L342	K80-D136 WeakPolarHBondContact CA-OD2 3.47Å; K80-D136 HydrophobicContact CB-CB 4.39Å; K80-D136 HydrophobicContact CD-CB 3.93Å; K80-D136 WeakPolarHBondContact CD-OD1 3.47Å; K80-D136 WeakPolarHBondContact CD-OD2 3.37Å; K80-D136 IonicContact NZ-OD1 2.84Å; K80-D136 PolarHBondContact NZ-OD1 2.85Å; S81-D136 PolarHBondContact N-OD2 3.46Å; S81-D136 PolarHBondContact O-N 2.77Å; D136-P158 WeakPolarHBondContact O-CD 3.29Å; D136-L342 HydrophobicContact CB-CD2 4.49Å; D136-L342 VanDerWaalsContact O-CD2 3.32Å; D136-L342 WeakPolarHBondContact O-CD2 3.35Å
137	A	98.9	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	163.8	174.6	0	0	0	0	0	110.5	L82 G83 T135 P158 I160 L342	L82-A137 HydrophobicContact CD1-CB 3.79Å; G83-A137 PolarHBondContact N-O 2.88Å; T135-A137 PolarHBondContact OG1-O 3.24Å; A137-P158 WeakPolarHBondContact CA-O 3.42Å; A137-P158 HydrophobicContact CB-CB 4.42Å; A137-I160 HydrophobicContact CB-CD1 4.05Å; A137-L342 HydrophobicContact CB-CD1 4.09Å; A137-L342 HydrophobicContact CB-CD2 4.17Å
138	V	98.9	Very high	98.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.5	170	176.2	0	0	0	0	110.6	G83 I85 L131 A140 L151 I157 P158 I159 I160	G83-V138 CarbonylContact O-C 3.54Å; G83-V138 VanDerWaalsContact O-CA 3.26Å; G83-V138 WeakPolarHBondContact O-CA 3.44Å; I85-V138 HydrophobicContact CD1-CG1 4.04Å; I85-V138 HydrophobicContact CG1-CG1 4.31Å; L131-V138 HydrophobicContact CB-CG2 4.09Å; L131-V138 HydrophobicContact CD1-CG2 4.08Å; V138-A140 HydrophobicContact CG1-CB 4.28Å; V138-L151 HydrophobicContact CG1-CD2 4.05Å; V138-I157 HydrophobicContact CG2-CD1 3.89Å; V138-P158 PolarHBondContact N-O 3.35Å; V138-I159 HydrophobicContact CB-CD1 3.72Å; V138-I159 HydrophobicContact CG1-CD1 4.49Å; V138-I159 HydrophobicContact CG2-CD1 4.23Å; V138-I159 CarbonylContact O-C 3.08Å; V138-I159 WeakPolarHBondContact O-CA 3.38Å; V138-I160 WeakPolarHBondContact O-CD1 3.44Å; V138-I160 PolarHBondContact O-N 3.37Å
139	L	98.9	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.2	161.4	179.9	145.4	0	0	0	108.5	L82 G83 M84 I85 F86 T93 T97 I160 I170 I334 M338	L82-L139 HydrophobicContact CD1-CB 4.27Å; G83-L139 PolarHBondContact O-N 3.1Å; M84-L139 CarbonylContact C-O 3.55Å; M84-L139 WeakPolarHBondContact CA-O 3.43Å; I85-L139 PolarHBondContact N-O 3.4Å; F86-L139 HydrophobicContact CE2-CD2 3.83Å; F86-L139 HydrophobicContact CZ-CD2 3.84Å; T93-L139 HydrophobicContact CG2-CD2 4.19Å; T97-L139 HydrophobicContact CG2-CD1 4.02Å; L139-I160 WeakPolarHBondContact CA-O 3.33Å; L139-I160 HydrophobicContact CB-CB 4.33Å; L139-I160 HydrophobicContact CD1-CB 4.46Å; L139-I160 HydrophobicContact CD1-CG2 4.05Å; L139-I160 HydrophobicContact CG-CB 4.47Å; L139-I160 HydrophobicContact CG-CG2 4.47Å; L139-I170 HydrophobicContact CD1-CD1 4.41Å; L139-I334 HydrophobicContact CD1-CD1 3.85Å; L139-I334 HydrophobicContact CD1-CG1 4.34Å; L139-M338 HydrophobicContact CB-CE 4.29Å; L139-M338 HydrophobicContact CD1-CE 4.12Å
140	A	98.8	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.1	-178.8	0	0	0	0	0	111.1	I85 V138 V142 L148 L151 I160 G162	I85-A140 HydrophobicContact CB-CB 4.27Å; I85-A140 WeakPolarHBondContact O-CA 3.42Å; V138-A140 HydrophobicContact CG1-CB 4.28Å; A140-V142 HydrophobicContact CB-CG1 4.08Å; A140-L148 HydrophobicContact CB-CD2 3.57Å; A140-L151 HydrophobicContact CB-CD2 4Å; A140-I160 PolarHBondContact N-O 3.01Å; A140-G162 PolarHBondContact O-N 3.28Å
141	R	98.3	Very high	98.3	Very high	18 Å²	18	39.8 Å²	39.8	7%	0.068	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	106.5	169.1	178.3	169.9	-160.3	174.6	14.8	108.4	I85 F86 E87 K88 R89 S90 L163	I85-R141 PolarHBondContact O-N 2.98Å; F86-R141 HydrophobicContact CD1-CB 3.79Å; F86-R141 HydrophobicContact CD1-CG 4.3Å; F86-R141 HydrophobicContact CE1-CB 3.92Å; F86-R141 HydrophobicContact CE1-CG 4.49Å; F86-R141 HydrophobicContact CG-CB 4.26Å; E87-R141 PolarHBondContact N-O 3.33Å; K88-R141 HydrophobicContact CB-CG 4.34Å; R89-R141 PolarHBondContact O-NH1 2.89Å; S90-R141 PolarHBondContact OG-NH1 3.28Å; R141-L163 WeakPolarHBondContact CA-O 3.48Å; R141-L163 HydrophobicContact CG-CB 4.06Å; R141-L163 HydrophobicContact CG-CD2 4.35Å
142	V	96.9	Very high	98.3	Very high	8 Å²	8	39.7 Å²	39.7	5%	0.048	21%	0.213	C	C	.	.			trans	-123.2	172.6	-169.3	-59.6	0	0	0	0	112.3	E87 A140 K144 L148 L163	E87-V142 HydrophobicContact CG-CG1 4.47Å; E87-V142 WeakPolarHBondContact OE2-CA 3.29Å; E87-V142 WeakPolarHBondContact OE2-CB 3.19Å; A140-V142 HydrophobicContact CB-CG1 4.08Å; V142-K144 VanDerWaalsContact CG2-O 3.27Å; V142-K144 WeakPolarHBondContact CG2-O 3.29Å; V142-L148 HydrophobicContact CG1-CD2 4.35Å; V142-L148 HydrophobicContact CG2-CD1 3.96Å; V142-L148 HydrophobicContact CG2-CD2 4.05Å; V142-L148 HydrophobicContact CG2-CG 3.62Å; V142-L163 PolarHBondContact N-O 2.69Å
143	Y	94.8	Very high	98.3	Very high	112 Å²	112	46.6 Å²	46.6	44%	0.439	24%	0.241	S	C	.	.	S	Bend	trans	-73.9	-58.9	165.9	-74.3	-95.7	0	0	0	111.4	E87 K88 D165	E87-Y143 HydrophobicContact CB-CD2 3.95Å; E87-Y143 HydrophobicContact CB-CE2 3.94Å; E87-Y143 WeakPolarHBondContact OE2-CD2 3.43Å; E87-Y143 PolarHBondContact OE2-N 3.45Å; K88-Y143 HydrophobicContact CD-CE1 4.3Å; K88-Y143 HydrophobicContact CD-CE2 4.39Å; K88-Y143 VanDerWaalsContact CE-CZ 3.48Å; K88-Y143 HydrophobicContact CG-CD2 4.28Å; K88-Y143 HydrophobicContact CG-CE1 4.32Å; K88-Y143 HydrophobicContact CG-CE2 3.72Å; Y143-D165 WeakPolarHBondContact O-CB 3.09Å; Y143-D165 PolarHBondContact O-N 3.48Å; Y143-D165 VanDerWaalsContact O-OD1 3.08Å
144	K	97.1	Very high	98.3	Very high	120 Å²	120	44.3 Å²	44.3	52%	0.522	22%	0.22	S	C	.	.			trans	-100.8	133.3	-168.3	-58.1	174	-178.5	172.3	0	112.7	V142 S146 D147	V142-K144 VanDerWaalsContact CG2-O 3.27Å; V142-K144 WeakPolarHBondContact CG2-O 3.29Å; K144-S146 WeakPolarHBondContact CB-OG 3.43Å; K144-S146 PolarHBondContact O-N 3.32Å; K144-D147 PolarHBondContact O-N 3.25Å; K144-D147 VanDerWaalsContact O-N 3.14Å
145	Q	98.5	Very high	98.3	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.065	20%	0.195	C	C	.	.	H	α-helix	trans	-56.8	-33.6	170.7	-178.6	58.8	43	0	0	113	D147 L148 D149 N161 S164 D165 L166 Y167	Q145-D147 PolarHBondContact O-N 3.1Å; Q145-L148 WeakPolarHBondContact O-CB 3.36Å; Q145-L148 PolarHBondContact O-N 2.92Å; Q145-L148 VanDerWaalsContact O-N 3.11Å; Q145-D149 PolarHBondContact NE2-OD1 3.26Å; Q145-D149 VanDerWaalsContact NE2-OD1 3.15Å; Q145-D149 PolarHBondContact O-N 2.97Å; Q145-D149 VanDerWaalsContact O-N 3.09Å; Q145-N161 PolarHBondContact OE1-ND2 2.87Å; Q145-S164 PolarHBondContact OE1-OG 3.41Å; Q145-D165 PolarHBondContact N-OD1 3Å; Q145-L166 HydrophobicContact CB-CB 3.87Å; Q145-L166 HydrophobicContact CB-CD2 4.32Å; Q145-L166 HydrophobicContact CG-CB 4.35Å; Q145-L166 HydrophobicContact CG-CD2 4.25Å; Q145-Y167 HydrophobicContact CG-CD2 4.35Å
146	S	98.4	Very high	98.3	Very high	58 Å²	58	42.8 Å²	42.8	41%	0.406	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-28.8	178.3	57	0	0	0	0	113.9	K144 D149 T150	K144-S146 WeakPolarHBondContact CB-OG 3.43Å; K144-S146 PolarHBondContact O-N 3.32Å; S146-D149 PolarHBondContact O-N 3.02Å; S146-T150 PolarHBondContact O-N 3.11Å; S146-T150 PolarHBondContact O-OG1 3.47Å
147	D	98.3	Very high	98.3	Very high	43 Å²	43	41.8 Å²	41.8	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-74.1	-37	-179.8	-59	-11	0	0	0	109.2	L124 K144 Q145 T150 L151	L124-D147 HydrophobicContact CD2-CB 3.85Å; L124-D147 WeakPolarHBondContact CD2-O 3.39Å; K144-D147 PolarHBondContact O-N 3.25Å; K144-D147 VanDerWaalsContact O-N 3.14Å; Q145-D147 PolarHBondContact O-N 3.1Å; D147-T150 PolarHBondContact O-N 3.26Å; D147-L151 VanDerWaalsContact O-CB 3.28Å; D147-L151 WeakPolarHBondContact O-CB 3.38Å; D147-L151 PolarHBondContact O-N 3.17Å
148	L	98.7	Very high	98.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-40	170.7	-65.7	172.2	0	0	0	112.3	L43 A140 V142 Q145 T150 L151 A152 I159 N161	L43-L148 HydrophobicContact CD2-CB 4.21Å; A140-L148 HydrophobicContact CB-CD2 3.57Å; V142-L148 HydrophobicContact CG1-CD2 4.35Å; V142-L148 HydrophobicContact CG2-CD1 3.96Å; V142-L148 HydrophobicContact CG2-CD2 4.05Å; V142-L148 HydrophobicContact CG2-CG 3.62Å; Q145-L148 WeakPolarHBondContact O-CB 3.36Å; Q145-L148 PolarHBondContact O-N 2.92Å; Q145-L148 VanDerWaalsContact O-N 3.11Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 2.78Å; L148-L151 PolarHBondContact O-N 3.31Å; L148-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 3.28Å; L148-I159 HydrophobicContact CD2-CG2 4.36Å; L148-N161 HydrophobicContact CD1-CB 3.7Å; L148-N161 WeakPolarHBondContact CD1-OD1 3.4Å
149	D	98.6	Very high	98.3	Very high	80 Å²	80	42.3 Å²	42.3	43%	0.428	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-38.6	178.2	-59.8	-29.5	0	0	0	110.9	L43 Q145 S146 K153	L43-D149 WeakPolarHBondContact CD1-OD1 3.27Å; Q145-D149 PolarHBondContact NE2-OD1 3.26Å; Q145-D149 VanDerWaalsContact NE2-OD1 3.15Å; Q145-D149 PolarHBondContact O-N 2.97Å; Q145-D149 VanDerWaalsContact O-N 3.09Å; S146-D149 PolarHBondContact O-N 3.02Å; D149-K153 VanDerWaalsContact O-CB 3.31Å; D149-K153 WeakPolarHBondContact O-CB 3.45Å; D149-K153 PolarHBondContact O-N 3.45Å
150	T	98.5	Very high	98.3	Very high	50 Å²	50	42.3 Å²	42.3	31%	0.307	22%	0.222	S	C	.	.	H	α-helix	trans	-67.4	-44.6	174	-57.8	0	0	0	0	111.4	L124 S146 D147 L148 A152 K153 E154	L124-T150 HydrophobicContact CD2-CG2 3.91Å; L124-T150 HydrophobicContact CG-CG2 4.25Å; S146-T150 PolarHBondContact O-N 3.11Å; S146-T150 PolarHBondContact O-OG1 3.47Å; D147-T150 PolarHBondContact O-N 3.26Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 2.78Å; T150-A152 VanDerWaalsContact C-N 3.35Å; T150-A152 PolarHBondContact O-N 2.99Å; T150-K153 PolarHBondContact O-N 3.44Å; T150-E154 HydrophobicContact CG2-CG 4.5Å; T150-E154 PolarHBondContact O-N 3.05Å
151	L	98.4	Very high	98.3	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-45.6	178.4	-171.3	64.9	0	0	0	111	L124 A128 V138 A140 D147 L148 E154 A155 I159	L124-L151 HydrophobicContact CD1-CD1 4.09Å; A128-L151 HydrophobicContact CB-CD1 3.69Å; V138-L151 HydrophobicContact CG1-CD2 4.05Å; A140-L151 HydrophobicContact CB-CD2 4Å; D147-L151 VanDerWaalsContact O-CB 3.28Å; D147-L151 WeakPolarHBondContact O-CB 3.38Å; D147-L151 PolarHBondContact O-N 3.17Å; L148-L151 PolarHBondContact O-N 3.31Å; L151-E154 PolarHBondContact O-N 2.98Å; L151-A155 WeakPolarHBondContact O-CB 3.2Å; L151-A155 PolarHBondContact O-N 3.05Å; L151-I159 HydrophobicContact CD2-CD1 4.11Å; L151-I159 HydrophobicContact CD2-CG2 3.95Å; L151-I159 HydrophobicContact CG-CD1 3.85Å; L151-I159 HydrophobicContact CG-CG1 4.21Å; L151-I159 HydrophobicContact CG-CG2 4.3Å
152	A	98.6	Very high	98.3	Very high	17 Å²	17	41.4 Å²	41.4	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-34.3	177.2	0	0	0	0	0	113.2	L43 L148 T150 I159	L43-A152 HydrophobicContact CD1-CB 3.82Å; L43-A152 HydrophobicContact CD2-CB 4.32Å; L43-A152 HydrophobicContact CG-CB 4.49Å; L148-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 3.28Å; T150-A152 VanDerWaalsContact C-N 3.35Å; T150-A152 PolarHBondContact O-N 2.99Å; A152-I159 HydrophobicContact CB-CB 4.09Å; A152-I159 HydrophobicContact CB-CG1 3.97Å
153	K	98.7	Very high	98.4	Very high	163 Å²	163	41.7 Å²	41.7	71%	0.709	22%	0.219	S	C	*	.	H	α-helix	trans	-65.9	-41.2	175.9	176.9	-174.2	167.3	-166.3	0	112.4	D149 T150	D149-K153 VanDerWaalsContact O-CB 3.31Å; D149-K153 WeakPolarHBondContact O-CB 3.45Å; D149-K153 PolarHBondContact O-N 3.45Å; T150-K153 PolarHBondContact O-N 3.44Å
154	E	98.7	Very high	98.5	Very high	45 Å²	45	36.3 Å²	36.3	21%	0.21	20%	0.198	C	C	.	.	H	α-helix	trans	-93.4	-19.2	-172.8	-62.4	-63.1	146.1	0	0	113.3	T125 A128 R129 T150 L151	T125-E154 HydrophobicContact CG2-CB 4.41Å; T125-E154 HydrophobicContact CG2-CG 3.91Å; T125-E154 WeakPolarHBondContact CG2-OE2 3.5Å; A128-E154 HydrophobicContact CB-CB 3.69Å; R129-E154 IonicContact CZ-OE2 3.82Å; R129-E154 IonicContact NE-OE2 3.7Å; R129-E154 IonicContact NH2-OE2 3.04Å; R129-E154 PolarHBondContact NH2-OE2 2.89Å; T150-E154 HydrophobicContact CG2-CG 4.5Å; T150-E154 PolarHBondContact O-N 3.05Å; L151-E154 PolarHBondContact O-N 2.98Å
155	A	98.5	Very high	98.4	Very high	17 Å²	17	34.8 Å²	34.8	14%	0.14	20%	0.196	C	C	.	.			trans	-82.9	150.4	176.8	0	0	0	0	0	112.4	A128 S132 L151 I157 I159	A128-A155 HydrophobicContact CB-CB 4.38Å; S132-A155 WeakPolarHBondContact OG-CA 3.42Å; S132-A155 WeakPolarHBondContact OG-CB 3.22Å; L151-A155 WeakPolarHBondContact O-CB 3.2Å; L151-A155 PolarHBondContact O-N 3.05Å; A155-I157 HydrophobicContact CB-CG1 4.32Å; A155-I159 HydrophobicContact CB-CD1 3.83Å; A155-I159 HydrophobicContact CB-CG1 4.2Å
156	S	98.7	Very high	98.4	Very high	104 Å²	104	36.3 Å²	36.3	73%	0.727	20%	0.204	S	C	*	.	S	Bend	trans	-105.6	15.3	171.6	67.2	0	0	0	0	113.1	S132	S132-S156 WeakPolarHBondContact CB-OG 3.2Å; S132-S156 PolarHBondContact OG-N 3.16Å
157	I	98.9	Very high	98.4	Very high	23 Å²	23	34.2 Å²	34.2	12%	0.118	19%	0.188	C	C	.	.	S	Bend	trans	-128.4	154.6	179	56.9	171.4	0	0	0	109.9	T135 V138 A155 I159	T135-I157 WeakPolarHBondContact OG1-CD1 3.37Å; V138-I157 HydrophobicContact CG2-CD1 3.89Å; A155-I157 HydrophobicContact CB-CG1 4.32Å; I157-I159 PolarHBondContact O-N 2.66Å
158	P	98.9	Very high	98.4	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.071	18%	0.178	C	C	.	.			trans	-56.5	133.2	-179.8	-29.3	38	0	0	0	114.2	D136 A137 V138 I160 L341 L342	D136-P158 WeakPolarHBondContact O-CD 3.29Å; A137-P158 WeakPolarHBondContact CA-O 3.42Å; A137-P158 HydrophobicContact CB-CB 4.42Å; V138-P158 PolarHBondContact N-O 3.35Å; P158-I160 HydrophobicContact CB-CD1 4.37Å; P158-L341 HydrophobicContact CB-CB 4.36Å; P158-L341 HydrophobicContact CB-CD1 4.26Å; P158-L341 HydrophobicContact CG-CB 4.42Å; P158-L342 HydrophobicContact CG-CD2 3.95Å
159	I	98.9	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.7	173.3	-53.9	-53.8	0	0	0	110.5	D41 L42 L43 V138 L148 L151 A152 A155 I157	D41-I159 CarbonylContact C-O 3.54Å; D41-I159 WeakPolarHBondContact CA-O 3.5Å; D41-I159 WeakPolarHBondContact CB-O 3.49Å; D41-I159 PolarHBondContact OD1-N 3.24Å; L42-I159 PolarHBondContact N-O 3.02Å; L43-I159 HydrophobicContact CD2-CB 4.08Å; L43-I159 HydrophobicContact CD2-CG2 3.76Å; V138-I159 HydrophobicContact CB-CD1 3.72Å; V138-I159 HydrophobicContact CG1-CD1 4.49Å; V138-I159 HydrophobicContact CG2-CD1 4.23Å; V138-I159 CarbonylContact O-C 3.08Å; V138-I159 WeakPolarHBondContact O-CA 3.38Å; L148-I159 HydrophobicContact CD2-CG2 4.36Å; L151-I159 HydrophobicContact CD2-CD1 4.11Å; L151-I159 HydrophobicContact CD2-CG2 3.95Å; L151-I159 HydrophobicContact CG-CD1 3.85Å; L151-I159 HydrophobicContact CG-CG1 4.21Å; L151-I159 HydrophobicContact CG-CG2 4.3Å; A152-I159 HydrophobicContact CB-CB 4.09Å; A152-I159 HydrophobicContact CB-CG1 3.97Å; A155-I159 HydrophobicContact CB-CD1 3.83Å; A155-I159 HydrophobicContact CB-CG1 4.2Å; I157-I159 PolarHBondContact O-N 2.66Å
160	I	98.9	Very high	98.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.3	-178.7	-57.2	88.1	0	0	0	109.5	L42 A137 V138 L139 A140 P158 G162 I170 I334 V337 M338 L341	L42-I160 HydrophobicContact CB-CG2 4.46Å; A137-I160 HydrophobicContact CB-CD1 4.05Å; V138-I160 WeakPolarHBondContact O-CD1 3.44Å; V138-I160 PolarHBondContact O-N 3.37Å; L139-I160 WeakPolarHBondContact CA-O 3.33Å; L139-I160 HydrophobicContact CB-CB 4.33Å; L139-I160 HydrophobicContact CD1-CB 4.46Å; L139-I160 HydrophobicContact CD1-CG2 4.05Å; L139-I160 HydrophobicContact CG-CB 4.47Å; L139-I160 HydrophobicContact CG-CG2 4.47Å; A140-I160 PolarHBondContact N-O 3.01Å; P158-I160 HydrophobicContact CB-CD1 4.37Å; I160-G162 PolarHBondContact O-N 3.21Å; I160-I170 HydrophobicContact CG2-CG2 4.09Å; I160-I334 HydrophobicContact CG2-CD1 4.24Å; I160-V337 HydrophobicContact CG1-CG1 4.13Å; I160-V337 HydrophobicContact CG2-CG1 4.28Å; I160-M338 HydrophobicContact CD1-CE 4.03Å; I160-M338 HydrophobicContact CD1-SD 4.04Å; I160-M338 HydrophobicContact CG1-CE 4.17Å; I160-M338 HydrophobicContact CG1-SD 4.49Å; I160-L341 HydrophobicContact CD1-CD1 4.13Å; I160-L341 HydrophobicContact CG1-CD1 3.8Å
161	N	98.9	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	105.6	174.4	-176.4	-5.9	0	0	0	111	L42 L43 Q145 L148 L163 S164 Y167 P169	L42-N161 WeakPolarHBondContact O-CB 3.41Å; L42-N161 PolarHBondContact O-N 3.48Å; L43-N161 VanDerWaalsContact O-CB 3.32Å; L43-N161 WeakPolarHBondContact O-CB 3.21Å; L43-N161 PolarHBondContact O-ND2 2.98Å; Q145-N161 PolarHBondContact OE1-ND2 2.87Å; L148-N161 HydrophobicContact CD1-CB 3.7Å; L148-N161 WeakPolarHBondContact CD1-OD1 3.4Å; N161-L163 WeakPolarHBondContact OD1-CA 3.32Å; N161-L163 PolarHBondContact OD1-N 3.4Å; N161-S164 PolarHBondContact ND2-OG 3.03Å; N161-S164 PolarHBondContact OD1-N 2.71Å; N161-Y167 PolarHBondContact ND2-O 3.32Å; N161-P169 HydrophobicContact CB-CG 3.97Å
162	G	98.5	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-21.2	175	0	0	0	0	0	114.5	A140 I160 H168	A140-G162 PolarHBondContact O-N 3.28Å; I160-G162 PolarHBondContact O-N 3.21Å; G162-H168 PolarHBondContact O-CE1 3.04Å; G162-H168 PolarHBondContact O-ND1 2.61Å
163	L	98.4	Very high	98.5	Very high	13 Å²	13	25.4 Å²	25.4	7%	0.068	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	135.7	166.2	169.5	148.5	0	0	0	107.4	K88 R141 V142 N161 H168	K88-L163 HydrophobicContact CD-CD2 4.24Å; R141-L163 WeakPolarHBondContact CA-O 3.48Å; R141-L163 HydrophobicContact CG-CB 4.06Å; R141-L163 HydrophobicContact CG-CD2 4.35Å; V142-L163 PolarHBondContact N-O 2.69Å; N161-L163 WeakPolarHBondContact OD1-CA 3.32Å; N161-L163 PolarHBondContact OD1-N 3.4Å; L163-H168 HydrophobicContact CD1-CB 4.32Å; L163-H168 HydrophobicContact CG-CB 4.44Å
164	S	97.9	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.102	C	C	.	.			trans	-121.7	176.8	167.9	61	0	0	0	0	110.6	Q145 N161 L166 Y167 N199	Q145-S164 PolarHBondContact OE1-OG 3.41Å; N161-S164 PolarHBondContact ND2-OG 3.03Å; N161-S164 PolarHBondContact OD1-N 2.71Å; S164-L166 PolarHBondContact O-N 3.22Å; S164-L166 PolarHBondContact OG-N 2.9Å; S164-Y167 PolarHBondContact N-O 2.95Å; S164-Y167 PolarHBondContact OG-N 3.39Å; S164-Y167 VanDerWaalsContact OG-N 3.09Å; S164-Y167 PolarHBondContact OG-O 3.07Å; S164-N199 PolarHBondContact O-ND2 3.4Å
165	D	95.6	Very high	98.6	Very high	88 Å²	88	15.7 Å²	15.7	47%	0.471	9%	0.093	S	C	.	.	S	Bend	trans	-57.7	-34	167.5	55.7	-10.3	0	0	0	112.9	Y143 Q145	Y143-D165 WeakPolarHBondContact O-CB 3.09Å; Y143-D165 PolarHBondContact O-N 3.48Å; Y143-D165 VanDerWaalsContact O-OD1 3.08Å; Q145-D165 PolarHBondContact N-OD1 3Å
166	L	97.9	Very high	98.6	Very high	46 Å²	46	15 Å²	15	24%	0.241	9%	0.087	C	C	.	.	S	Bend	trans	-94.5	-35.6	-173.7	-164.8	61.4	0	0	0	114.1	Q145 S164 N199 H202 D226 V229	Q145-L166 HydrophobicContact CB-CB 3.87Å; Q145-L166 HydrophobicContact CB-CD2 4.32Å; Q145-L166 HydrophobicContact CG-CB 4.35Å; Q145-L166 HydrophobicContact CG-CD2 4.25Å; S164-L166 PolarHBondContact O-N 3.22Å; S164-L166 PolarHBondContact OG-N 2.9Å; L166-N199 WeakPolarHBondContact O-CA 3.41Å; L166-H202 WeakPolarHBondContact O-CB 3.42Å; L166-H202 PolarHBondContact O-ND1 2.71Å; L166-D226 HydrophobicContact CD1-CB 4.41Å; L166-V229 HydrophobicContact CD1-CG2 4.46Å
167	Y	98.8	Very high	98.6	Very high	13 Å²	13	10.1 Å²	10.1	5%	0.051	5%	0.053	C	C	.	.			trans	-143	154.3	-174.9	-57.4	-68.8	0	0	0	113.7	T44 Q145 N161 S164 H202 M206 V229	T44-Y167 HydrophobicContact CG2-CD2 4.27Å; T44-Y167 HydrophobicContact CG2-CE2 4.2Å; Q145-Y167 HydrophobicContact CG-CD2 4.35Å; N161-Y167 PolarHBondContact ND2-O 3.32Å; S164-Y167 PolarHBondContact N-O 2.95Å; S164-Y167 PolarHBondContact OG-N 3.39Å; S164-Y167 VanDerWaalsContact OG-N 3.09Å; S164-Y167 PolarHBondContact OG-O 3.07Å; Y167-H202 HydrophobicContact CD1-CB 3.85Å; Y167-H202 HydrophobicContact CE1-CB 3.91Å; Y167-M206 HydrophobicContact CD1-CG 4.4Å; Y167-M206 HydrophobicContact CE1-CG 3.81Å; Y167-V229 HydrophobicContact CE1-CG2 4.14Å
168	H	98.6	Very high	98.6	Very high	6 Å²	6	9.2 Å²	9.2	3%	0.028	5%	0.048	C	C	.	.			trans	-138.3	69.2	168.6	-165.9	9.3	0	0	0	110.8	G162 L163 I170 Q171 N199 I200 S203	G162-H168 PolarHBondContact O-CE1 3.04Å; G162-H168 PolarHBondContact O-ND1 2.61Å; L163-H168 HydrophobicContact CD1-CB 4.32Å; L163-H168 HydrophobicContact CG-CB 4.44Å; H168-I170 VanDerWaalsContact C-N 3.33Å; H168-I170 VanDerWaalsContact CE1-CG1 3.46Å; H168-I170 WeakPolarHBondContact CE1-CG1 3.43Å; H168-I170 PolarHBondContact O-N 2.73Å; H168-Q171 HydrophobicContact CB-CB 4.41Å; H168-Q171 WeakPolarHBondContact O-CB 3.32Å; H168-Q171 PolarHBondContact O-N 3.05Å; H168-Q171 VanDerWaalsContact O-N 3.17Å; H168-N199 PolarHBondContact N-O 3.47Å; H168-I200 HydrophobicContact CB-CD1 3.74Å; H168-S203 PolarHBondContact N-OG 2.84Å
169	P	98.9	Very high	98.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65	-34.1	-167.9	27.6	-36.7	0	0	0	113.5	L42 L45 N161 Q171 I172 L173	L42-P169 HydrophobicContact CD2-CB 3.6Å; L42-P169 HydrophobicContact CD2-CG 3.38Å; L45-P169 HydrophobicContact CD1-CB 4.46Å; L45-P169 HydrophobicContact CD2-CB 4.21Å; L45-P169 HydrophobicContact CG-CB 3.73Å; N161-P169 HydrophobicContact CB-CG 3.97Å; P169-Q171 VanDerWaalsContact C-N 3.27Å; P169-Q171 PolarHBondContact O-N 2.92Å; P169-I172 PolarHBondContact O-N 3.13Å; P169-L173 PolarHBondContact O-N 2.9Å
170	I	98.8	Very high	98.6	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-71	-19.3	-179.5	65.3	170.3	0	0	0	113.6	L42 T93 L139 I160 H168 I334	L42-I170 HydrophobicContact CD2-CG2 4.21Å; T93-I170 HydrophobicContact CG2-CD1 3.84Å; L139-I170 HydrophobicContact CD1-CD1 4.41Å; I160-I170 HydrophobicContact CG2-CG2 4.09Å; H168-I170 VanDerWaalsContact C-N 3.33Å; H168-I170 VanDerWaalsContact CE1-CG1 3.46Å; H168-I170 WeakPolarHBondContact CE1-CG1 3.43Å; H168-I170 PolarHBondContact O-N 2.73Å; I170-I334 HydrophobicContact CD1-CD1 4.28Å; I170-I334 HydrophobicContact CG2-CD1 4.07Å
171	Q	98.9	Very high	98.6	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.009	7%	0.068	C	C	.	.	H	α-helix	trans	-67.5	-50.2	171	178.2	62.9	57.3	0	0	109.4	H168 P169 L173 A174 D175 I200 C303 E326	H168-Q171 HydrophobicContact CB-CB 4.41Å; H168-Q171 WeakPolarHBondContact O-CB 3.32Å; H168-Q171 PolarHBondContact O-N 3.05Å; H168-Q171 VanDerWaalsContact O-N 3.17Å; P169-Q171 VanDerWaalsContact C-N 3.27Å; P169-Q171 PolarHBondContact O-N 2.92Å; Q171-L173 PolarHBondContact O-N 3.13Å; Q171-A174 WeakPolarHBondContact O-CA 3.3Å; Q171-A174 WeakPolarHBondContact O-CB 3.38Å; Q171-A174 PolarHBondContact O-N 3.26Å; Q171-D175 PolarHBondContact NE2-OD1 3.1Å; Q171-D175 PolarHBondContact O-N 2.81Å; Q171-D175 VanDerWaalsContact O-OD1 3.07Å; Q171-I200 HydrophobicContact CB-CD1 4.38Å; Q171-I200 HydrophobicContact CG-CD1 4.18Å; Q171-C303 VanDerWaalsContact CD-CB 3.49Å; Q171-C303 HydrophobicContact CG-CB 3.83Å; Q171-E326 PolarHBondContact NE2-OE1 3.22Å
172	I	98.9	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.9	-29	-175.6	-53.1	-47	0	0	0	112.6	L45 P169 A174 D175 Y176 I200 I204 S207	L45-I172 HydrophobicContact CD1-CB 4.06Å; L45-I172 HydrophobicContact CD1-CG2 4.18Å; P169-I172 PolarHBondContact O-N 3.13Å; I172-A174 VanDerWaalsContact C-N 3.32Å; I172-A174 PolarHBondContact O-N 2.96Å; I172-D175 WeakPolarHBondContact CD1-OD2 3.34Å; I172-D175 PolarHBondContact O-N 3.18Å; I172-Y176 HydrophobicContact CG2-CD1 3.92Å; I172-Y176 HydrophobicContact CG2-CD2 3.98Å; I172-Y176 HydrophobicContact CG2-CE1 3.5Å; I172-Y176 VanDerWaalsContact CG2-CE1 3.5Å; I172-Y176 HydrophobicContact CG2-CE2 3.58Å; I172-Y176 HydrophobicContact CG2-CG 4.15Å; I172-Y176 WeakPolarHBondContact O-CB 3.42Å; I172-Y176 PolarHBondContact O-N 2.79Å; I172-I200 HydrophobicContact CD1-CG2 3.98Å; I172-I204 HydrophobicContact CD1-CD1 4.32Å; I172-I204 HydrophobicContact CD1-CG1 3.49Å; I172-I204 VanDerWaalsContact CD1-CG1 3.49Å; I172-I204 HydrophobicContact CG1-CG1 4.28Å; I172-S207 WeakPolarHBondContact CG2-OG 3.43Å
173	L	98.9	Very high	98.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-58.7	-45.6	169.7	-63.4	-179.8	0	0	0	111.3	L42 L45 I53 M56 L57 P169 Q171 L177 T333 V337	L42-L173 HydrophobicContact CD1-CD1 4.34Å; L45-L173 HydrophobicContact CD2-CD2 4.18Å; I53-L173 HydrophobicContact CG2-CD2 3.61Å; M56-L173 HydrophobicContact CE-CD1 4.43Å; M56-L173 HydrophobicContact CE-CD2 4.01Å; M56-L173 HydrophobicContact SD-CD1 4.24Å; L57-L173 HydrophobicContact CD2-CB 4.3Å; L57-L173 HydrophobicContact CD2-CD2 4.27Å; L57-L173 WeakPolarHBondContact CD2-O 3.34Å; P169-L173 PolarHBondContact O-N 2.9Å; Q171-L173 PolarHBondContact O-N 3.13Å; L173-L177 PolarHBondContact O-N 3.32Å; L173-T333 HydrophobicContact CB-CG2 4.11Å; L173-V337 HydrophobicContact CD1-CG2 3.48Å; L173-V337 VanDerWaalsContact CD1-CG2 3.48Å
174	A	98.9	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.4	-40.2	177.9	0	0	0	0	0	111.8	Q171 I172 Y176 L177 T178 N329 R330 T333	Q171-A174 WeakPolarHBondContact O-CA 3.3Å; Q171-A174 WeakPolarHBondContact O-CB 3.38Å; Q171-A174 PolarHBondContact O-N 3.26Å; I172-A174 VanDerWaalsContact C-N 3.32Å; I172-A174 PolarHBondContact O-N 2.96Å; A174-Y176 VanDerWaalsContact C-N 3.34Å; A174-Y176 PolarHBondContact O-N 3.49Å; A174-L177 PolarHBondContact O-N 3.09Å; A174-T178 WeakPolarHBondContact O-CB 3.31Å; A174-T178 PolarHBondContact O-N 3.33Å; A174-T178 PolarHBondContact O-OG1 3.34Å; A174-N329 HydrophobicContact CB-CB 4.09Å; A174-R330 HydrophobicContact CB-CG 4.08Å; A174-T333 HydrophobicContact CB-CG2 4.42Å
175	D	98.9	Very high	98.6	Very high	4 Å²	4	24 Å²	24	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-50	176.6	-57.3	-4.1	0	0	0	109.9	Q171 I172 L177 T178 L179 L301 E326	Q171-D175 PolarHBondContact NE2-OD1 3.1Å; Q171-D175 PolarHBondContact O-N 2.81Å; Q171-D175 VanDerWaalsContact O-OD1 3.07Å; I172-D175 WeakPolarHBondContact CD1-OD2 3.34Å; I172-D175 PolarHBondContact O-N 3.18Å; D175-L177 PolarHBondContact O-N 3.4Å; D175-T178 WeakPolarHBondContact O-CB 3.45Å; D175-T178 PolarHBondContact O-N 2.99Å; D175-T178 VanDerWaalsContact O-N 3.14Å; D175-L179 WeakPolarHBondContact O-CG 3.43Å; D175-L179 PolarHBondContact O-N 3.24Å; D175-L301 HydrophobicContact CB-CD1 4.02Å; D175-E326 WeakPolarHBondContact OD1-CG 3.44Å
176	Y	98.9	Very high	98.8	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-72.1	-32.7	-176	-68.7	1.9	0	0	0	112.8	I172 A174 T178 L179 Q180 L186 L191 S207 A208 F211 M213	I172-Y176 HydrophobicContact CG2-CD1 3.92Å; I172-Y176 HydrophobicContact CG2-CD2 3.98Å; I172-Y176 HydrophobicContact CG2-CE1 3.5Å; I172-Y176 VanDerWaalsContact CG2-CE1 3.5Å; I172-Y176 HydrophobicContact CG2-CE2 3.58Å; I172-Y176 HydrophobicContact CG2-CG 4.15Å; I172-Y176 WeakPolarHBondContact O-CB 3.42Å; I172-Y176 PolarHBondContact O-N 2.79Å; A174-Y176 VanDerWaalsContact C-N 3.34Å; A174-Y176 PolarHBondContact O-N 3.49Å; Y176-T178 VanDerWaalsContact C-N 3.32Å; Y176-L179 HydrophobicContact CD1-CD1 4.41Å; Y176-Q180 WeakPolarHBondContact O-CB 3.42Å; Y176-Q180 PolarHBondContact O-N 3.35Å; Y176-L186 HydrophobicContact CG-CD1 4.39Å; Y176-L191 HydrophobicContact CE1-CD1 3.95Å; Y176-S207 WeakPolarHBondContact CE2-OG 3.46Å; Y176-S207 PolarHBondContact OH-OG 3.23Å; Y176-S207 VanDerWaalsContact OH-OG 3.1Å; Y176-A208 VanDerWaalsContact OH-CA 3.25Å; Y176-A208 WeakPolarHBondContact OH-CA 3.32Å; Y176-A208 WeakPolarHBondContact OH-CB 3.3Å; Y176-A208 PolarHBondContact OH-N 3.47Å; Y176-F211 AromaticContact CD2-CD2 3.89Å; Y176-F211 HydrophobicContact CD2-CD2 3.89Å; Y176-F211 AromaticContact CD2-CE2 3.75Å; Y176-F211 HydrophobicContact CD2-CE2 3.75Å; Y176-F211 HydrophobicContact CD2-CG 4.49Å; Y176-F211 HydrophobicContact CD2-CZ 4.21Å; Y176-F211 AromaticContact CE2-CD2 3.82Å; Y176-F211 HydrophobicContact CE2-CD2 3.82Å; Y176-F211 AromaticContact CE2-CE2 3.98Å; Y176-F211 HydrophobicContact CE2-CE2 3.98Å; Y176-M213 HydrophobicContact CD1-CE 3.89Å; Y176-M213 HydrophobicContact CD2-CE 4Å; Y176-M213 HydrophobicContact CE1-CE 3.53Å; Y176-M213 HydrophobicContact CE2-CE 3.63Å; Y176-M213 HydrophobicContact CG-CE 4.12Å
177	L	98.9	Very high	98.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.8	-44.8	169.1	-178.7	60.6	0	0	0	110.6	L57 A61 L173 A174 D175 Q180 E181 N329 W332 T333	L57-L177 HydrophobicContact CD2-CB 4.24Å; A61-L177 HydrophobicContact CB-CD1 4.35Å; L173-L177 PolarHBondContact O-N 3.32Å; A174-L177 PolarHBondContact O-N 3.09Å; D175-L177 PolarHBondContact O-N 3.4Å; L177-Q180 PolarHBondContact O-N 3.01Å; L177-E181 HydrophobicContact CD1-CG 4.37Å; L177-E181 VanDerWaalsContact O-CG 3.3Å; L177-E181 WeakPolarHBondContact O-CG 3.48Å; L177-E181 PolarHBondContact O-N 2.99Å; L177-N329 HydrophobicContact CD2-CB 4.13Å; L177-W332 HydrophobicContact CD2-CB 4.36Å; L177-T333 HydrophobicContact CB-CG2 4.06Å; L177-T333 HydrophobicContact CD2-CG2 3.73Å
178	T	98.9	Very high	98.8	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-44.9	-179.4	-54.1	0	0	0	0	111.8	A174 D175 Y176 E181 H182 L301 L322 P325 E326 N329	A174-T178 WeakPolarHBondContact O-CB 3.31Å; A174-T178 PolarHBondContact O-N 3.33Å; A174-T178 PolarHBondContact O-OG1 3.34Å; D175-T178 WeakPolarHBondContact O-CB 3.45Å; D175-T178 PolarHBondContact O-N 2.99Å; D175-T178 VanDerWaalsContact O-N 3.14Å; Y176-T178 VanDerWaalsContact C-N 3.32Å; T178-E181 PolarHBondContact O-N 3.17Å; T178-H182 PolarHBondContact O-N 3.35Å; T178-L301 HydrophobicContact CG2-CD2 4.44Å; T178-L322 HydrophobicContact CG2-CB 3.85Å; T178-L322 HydrophobicContact CG2-CD1 4.12Å; T178-P325 HydrophobicContact CG2-CB 3.98Å; T178-E326 HydrophobicContact CG2-CB 4.28Å; T178-E326 WeakPolarHBondContact OG1-CA 3.08Å; T178-N329 WeakPolarHBondContact CA-ND2 3.5Å; T178-N329 PolarHBondContact OG1-ND2 3.34Å
179	L	98.9	Very high	98.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-39.4	176	-67.3	179.1	0	0	0	111.9	D175 Y176 E181 H182 Y183 L186 L191 V259 L301 L322	D175-L179 WeakPolarHBondContact O-CG 3.43Å; D175-L179 PolarHBondContact O-N 3.24Å; Y176-L179 HydrophobicContact CD1-CD1 4.41Å; L179-E181 VanDerWaalsContact C-N 3.34Å; L179-E181 PolarHBondContact O-N 3.14Å; L179-H182 PolarHBondContact O-N 3.26Å; L179-Y183 HydrophobicContact CB-CD2 4.49Å; L179-Y183 HydrophobicContact CD2-CD2 4.24Å; L179-Y183 HydrophobicContact CD2-CE2 3.93Å; L179-Y183 WeakPolarHBondContact O-CB 3.34Å; L179-Y183 WeakPolarHBondContact O-CD2 3.45Å; L179-Y183 PolarHBondContact O-N 3.48Å; L179-L186 HydrophobicContact CB-CD2 3.52Å; L179-L191 HydrophobicContact CD1-CD2 3.78Å; L179-V259 HydrophobicContact CD1-CG1 4.31Å; L179-V259 HydrophobicContact CD1-CG2 3.98Å; L179-V259 HydrophobicContact CD2-CB 4.33Å; L179-V259 HydrophobicContact CD2-CG1 3.8Å; L179-V259 HydrophobicContact CD2-CG2 3.52Å; L179-V259 HydrophobicContact CG-CG2 4.39Å; L179-L301 HydrophobicContact CD1-CD1 4.1Å; L179-L301 HydrophobicContact CD2-CD1 4.03Å; L179-L301 HydrophobicContact CD2-CG 4.49Å; L179-L301 HydrophobicContact CG-CD1 4.02Å; L179-L322 HydrophobicContact CD2-CD1 4.48Å
180	Q	98.9	Very high	98.8	Very high	23 Å²	23	27.5 Å²	27.5	11%	0.107	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-41.3	177	-170.1	-78.5	-52	0	0	110.9	Y176 L177 H182 S184 L186 K353 F354	Y176-Q180 WeakPolarHBondContact O-CB 3.42Å; Y176-Q180 PolarHBondContact O-N 3.35Å; L177-Q180 PolarHBondContact O-N 3.01Å; Q180-H182 VanDerWaalsContact C-N 3.32Å; Q180-H182 PolarHBondContact O-N 3.34Å; Q180-S184 WeakPolarHBondContact O-CA 3.46Å; Q180-S184 PolarHBondContact O-N 2.96Å; Q180-L186 HydrophobicContact CB-CD1 4.35Å; Q180-L186 HydrophobicContact CB-CD2 4.08Å; Q180-L186 HydrophobicContact CB-CG 4.07Å; Q180-K353 WeakPolarHBondContact CG-O 3.05Å; Q180-K353 PolarHBondContact NE2-O 2.88Å; Q180-F354 HydrophobicContact CB-CE1 4.48Å; Q180-F354 HydrophobicContact CG-CD1 3.9Å; Q180-F354 HydrophobicContact CG-CE1 3.85Å
181	E	98.8	Very high	98.8	Very high	82 Å²	82	27.4 Å²	27.4	38%	0.383	15%	0.148	S	C	.	.	H	α-helix	trans	-63.4	-36.7	175.3	-72.4	177.8	146.3	0	0	112.3	K64 L177 T178 L179 N329	K64-E181 WeakPolarHBondContact CD-OE1 3.09Å; K64-E181 WeakPolarHBondContact CE-OE1 3.18Å; K64-E181 IonicContact NZ-OE1 3.75Å; K64-E181 PolarHBondContact NZ-OE1 3.5Å; K64-E181 IonicContact NZ-OE2 2.65Å; K64-E181 PolarHBondContact NZ-OE2 2.87Å; L177-E181 HydrophobicContact CD1-CG 4.37Å; L177-E181 VanDerWaalsContact O-CG 3.3Å; L177-E181 WeakPolarHBondContact O-CG 3.48Å; L177-E181 PolarHBondContact O-N 2.99Å; T178-E181 PolarHBondContact O-N 3.17Å; L179-E181 VanDerWaalsContact C-N 3.34Å; L179-E181 PolarHBondContact O-N 3.14Å; E181-N329 PolarHBondContact OE2-ND2 2.86Å
182	H	98.9	Very high	98.8	Very high	89 Å²	89	27.3 Å²	27.3	41%	0.412	15%	0.148	S	C	.	.	H	α-helix	trans	-76.6	-53.1	179.9	-169.9	87.6	0	0	0	113	T178 L179 Q180 T299 L322	T178-H182 PolarHBondContact O-N 3.35Å; L179-H182 PolarHBondContact O-N 3.26Å; Q180-H182 VanDerWaalsContact C-N 3.32Å; Q180-H182 PolarHBondContact O-N 3.34Å; H182-T299 VanDerWaalsContact NE2-CG2 3.3Å; H182-T299 WeakPolarHBondContact NE2-CG2 3.21Å; H182-L322 HydrophobicContact CB-CD1 3.84Å
183	Y	98.8	Very high	98.8	Very high	37 Å²	37	27.3 Å²	27.3	15%	0.145	15%	0.148	C	C	.	.	H	α-helix	trans	-91.2	-5.2	-173.1	-69	-80.5	0	0	0	113.6	L179 S185 L189 N258 V259 D297 T299	L179-Y183 HydrophobicContact CB-CD2 4.49Å; L179-Y183 HydrophobicContact CD2-CD2 4.24Å; L179-Y183 HydrophobicContact CD2-CE2 3.93Å; L179-Y183 WeakPolarHBondContact O-CB 3.34Å; L179-Y183 WeakPolarHBondContact O-CD2 3.45Å; L179-Y183 PolarHBondContact O-N 3.48Å; Y183-S185 WeakPolarHBondContact CB-O 3.19Å; Y183-S185 PolarHBondContact O-N 2.97Å; Y183-L189 HydrophobicContact CD1-CD2 3.86Å; Y183-L189 HydrophobicContact CD2-CD1 3.79Å; Y183-L189 HydrophobicContact CD2-CD2 4.22Å; Y183-L189 HydrophobicContact CE1-CD2 4.15Å; Y183-L189 HydrophobicContact CE2-CD1 4.38Å; Y183-L189 HydrophobicContact CE2-CD2 4.5Å; Y183-L189 HydrophobicContact CG-CD1 4.03Å; Y183-L189 HydrophobicContact CG-CD2 3.9Å; Y183-N258 PolarHBondContact OH-O 2.85Å; Y183-V259 HydrophobicContact CE2-CG2 4.1Å; Y183-D297 HydrophobicContact CE1-CB 4.49Å; Y183-D297 PolarHBondContact OH-O 2.92Å; Y183-T299 HydrophobicContact CE2-CG2 4.13Å; Y183-T299 WeakPolarHBondContact CE2-OG1 3.23Å; Y183-T299 WeakPolarHBondContact OH-CG2 3.26Å; Y183-T299 PolarHBondContact OH-N 3.5Å; Y183-T299 PolarHBondContact OH-OG1 2.81Å
184	S	98.4	Very high	98.8	Very high	77 Å²	77	27.3 Å²	27.3	54%	0.538	15%	0.148	S	C	.	.	S	Bend	trans	61.5	-1.2	-174.4	-55.9	0	0	0	0	115.6	Q180	Q180-S184 WeakPolarHBondContact O-CA 3.46Å; Q180-S184 PolarHBondContact O-N 2.96Å
185	S	98.4	Very high	98.8	Very high	27 Å²	27	27.3 Å²	27.3	19%	0.189	15%	0.148	C	C	.	.			trans	-164.1	161.2	170.1	51	0	0	0	0	109.9	Y183	Y183-S185 WeakPolarHBondContact CB-O 3.19Å; Y183-S185 PolarHBondContact O-N 2.97Å
186	L	98.8	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.			trans	-106.6	-33.8	179.8	-63.7	177.9	0	0	0	112.3	L57 Y176 L179 Q180 G188 L189 F211 M213 F354	L57-L186 HydrophobicContact CD1-CD1 4.35Å; Y176-L186 HydrophobicContact CG-CD1 4.39Å; L179-L186 HydrophobicContact CB-CD2 3.52Å; Q180-L186 HydrophobicContact CB-CD1 4.35Å; Q180-L186 HydrophobicContact CB-CD2 4.08Å; Q180-L186 HydrophobicContact CB-CG 4.07Å; L186-G188 PolarHBondContact O-N 3.36Å; L186-L189 HydrophobicContact CD2-CD1 4.09Å; L186-L189 WeakPolarHBondContact O-CB 3.25Å; L186-L189 WeakPolarHBondContact O-CG 3.2Å; L186-L189 PolarHBondContact O-N 3.3Å; L186-L189 VanDerWaalsContact O-N 3.1Å; L186-F211 HydrophobicContact CB-CB 4.43Å; L186-F211 HydrophobicContact CB-CD1 4.33Å; L186-F211 HydrophobicContact CD1-CD1 3.52Å; L186-F211 HydrophobicContact CD1-CE1 3.81Å; L186-F211 HydrophobicContact CD1-CG 4.21Å; L186-M213 HydrophobicContact CB-CE 4.44Å; L186-M213 HydrophobicContact CB-CG 4.32Å; L186-M213 HydrophobicContact CB-SD 3.99Å; L186-M213 HydrophobicContact CD2-SD 4.26Å; L186-M213 WeakPolarHBondContact O-CG 3.24Å; L186-F354 WeakPolarHBondContact CA-OXT 3.42Å; L186-F354 HydrophobicContact CD1-CD1 4.07Å; L186-F354 PolarHBondContact N-OXT 2.68Å
187	K	98.7	Very high	98.7	Very high	157 Å²	157	28.1 Å²	28.1	68%	0.683	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	127.2	-176	-174	178.7	-179.8	-178.6	0	111.9	F211 F354	K187-F211 WeakPolarHBondContact CA-O 3.38Å; K187-F354 PolarHBondContact N-OXT 3.04Å
188	G	98.6	Very high	98.7	Very high	40 Å²	40	28.7 Å²	28.7	41%	0.412	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-8.8	178.5	0	0	0	0	0	115.1	L186 G212	L186-G188 PolarHBondContact O-N 3.36Å; G188-G212 PolarHBondContact N-O 3.32Å
189	L	98.9	Very high	98.6	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.073	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-63.3	143.7	172.1	-65.6	178.1	0	0	0	110.5	Y183 L186 M213 H214 N258	Y183-L189 HydrophobicContact CD1-CD2 3.86Å; Y183-L189 HydrophobicContact CD2-CD1 3.79Å; Y183-L189 HydrophobicContact CD2-CD2 4.22Å; Y183-L189 HydrophobicContact CE1-CD2 4.15Å; Y183-L189 HydrophobicContact CE2-CD1 4.38Å; Y183-L189 HydrophobicContact CE2-CD2 4.5Å; Y183-L189 HydrophobicContact CG-CD1 4.03Å; Y183-L189 HydrophobicContact CG-CD2 3.9Å; L186-L189 HydrophobicContact CD2-CD1 4.09Å; L186-L189 WeakPolarHBondContact O-CB 3.25Å; L186-L189 WeakPolarHBondContact O-CG 3.2Å; L186-L189 PolarHBondContact O-N 3.3Å; L186-L189 VanDerWaalsContact O-N 3.1Å; L189-M213 HydrophobicContact CB-CG 4.13Å; L189-M213 HydrophobicContact CB-SD 4.17Å; L189-M213 HydrophobicContact CD1-SD 4.42Å; L189-M213 CarbonylContact O-C 3.54Å; L189-M213 VanDerWaalsContact O-CA 3.31Å; L189-M213 WeakPolarHBondContact O-CA 3.49Å; L189-M213 WeakPolarHBondContact O-CB 3.49Å; L189-H214 PolarHBondContact O-N 3.36Å; L189-N258 HydrophobicContact CD2-CB 3.87Å
190	T	98.9	Very high	98.6	Very high	15 Å²	15	29.3 Å²	29.3	9%	0.092	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.8	169.5	-59.9	0	0	0	0	109.5	H214 Q216 N258 V259	T190-H214 HydrophobicContact CG2-CB 4.24Å; T190-Q216 HydrophobicContact CG2-CG 3.88Å; T190-N258 PolarHBondContact N-OD1 3.25Å; T190-N258 PolarHBondContact O-N 2.92Å; T190-V259 PolarHBondContact O-N 2.84Å; T190-V259 VanDerWaalsContact O-N 3.15Å
191	L	98.9	Very high	98.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.7	172.3	-51.5	-176.1	0	0	0	108.9	Y176 L179 I204 A208 M213 H214 L215 Q216 V259 I261	Y176-L191 HydrophobicContact CE1-CD1 3.95Å; L179-L191 HydrophobicContact CD1-CD2 3.78Å; L191-I204 HydrophobicContact CD1-CG2 3.87Å; L191-A208 HydrophobicContact CD1-CB 4.12Å; L191-M213 HydrophobicContact CD1-CE 4.06Å; L191-M213 HydrophobicContact CD1-SD 4.06Å; L191-M213 HydrophobicContact CD2-SD 4.01Å; L191-M213 HydrophobicContact CG-SD 4.15Å; L191-H214 PolarHBondContact N-O 3.33Å; L191-L215 HydrophobicContact CB-CD1 3.99Å; L191-L215 WeakPolarHBondContact O-CA 3.43Å; L191-Q216 PolarHBondContact O-N 3.04Å; L191-V259 HydrophobicContact CD2-CB 3.77Å; L191-V259 HydrophobicContact CD2-CG1 4.44Å; L191-V259 HydrophobicContact CD2-CG2 3.71Å; L191-I261 HydrophobicContact CB-CD1 4.18Å; L191-I261 HydrophobicContact CD2-CD1 4.43Å
192	S	98.9	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	96.9	-176.8	-71	0	0	0	0	109.6	Q216 A253 G257 V259 I261	S192-Q216 CarbonylContact C-O 3.43Å; S192-Q216 VanDerWaalsContact CA-O 3.29Å; S192-Q216 WeakPolarHBondContact CA-O 3.09Å; S192-A253 WeakPolarHBondContact CB-O 3.37Å; S192-A253 PolarHBondContact OG-O 3.22Å; S192-G257 VanDerWaalsContact OG-CA 3.3Å; S192-G257 WeakPolarHBondContact OG-CA 3.43Å; S192-V259 WeakPolarHBondContact CB-O 3.29Å; S192-V259 PolarHBondContact N-O 3.02Å; S192-I261 PolarHBondContact O-N 2.79Å
193	W	98.9	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.7	175.8	176.3	-92.5	0	0	0	111	D196 I200 L201 I204 Q216 A217 A218 I261 D263	W193-D196 WeakPolarHBondContact CZ2-O 3.35Å; W193-D196 PolarHBondContact NE1-O 3.35Å; W193-I200 HydrophobicContact CH2-CB 3.74Å; W193-I200 HydrophobicContact CH2-CG1 4.49Å; W193-I200 HydrophobicContact CH2-CG2 3.94Å; W193-I200 HydrophobicContact CZ3-CB 3.95Å; W193-I200 HydrophobicContact CZ3-CG2 3.6Å; W193-L201 HydrophobicContact CB-CD1 3.96Å; W193-L201 HydrophobicContact CD2-CB 4.07Å; W193-L201 HydrophobicContact CD2-CD1 4.14Å; W193-L201 HydrophobicContact CG-CB 4.43Å; W193-L201 HydrophobicContact CG-CD1 3.73Å; W193-L201 HydrophobicContact CG-CD2 4.35Å; W193-L201 HydrophobicContact CG-CG 4.37Å; W193-L201 HydrophobicContact CZ2-CB 4.07Å; W193-I204 HydrophobicContact CE3-CD1 3.93Å; W193-I204 HydrophobicContact CZ3-CD1 4.3Å; W193-Q216 PolarHBondContact N-O 3.01Å; W193-A217 HydrophobicContact CB-CB 3.95Å; W193-A217 HydrophobicContact CG-CB 4.36Å; W193-A217 CarbonylContact O-C 3.6Å; W193-A217 WeakPolarHBondContact O-CA 3.33Å; W193-A218 PolarHBondContact O-N 3.4Å; W193-I261 WeakPolarHBondContact CA-O 3.29Å; W193-I261 HydrophobicContact CE3-CB 4.04Å; W193-I261 HydrophobicContact CE3-CG2 3.64Å; W193-I261 HydrophobicContact CZ3-CG2 3.73Å; W193-D263 HydrophobicContact CH2-CB 3.63Å; W193-D263 HydrophobicContact CZ2-CB 4.36Å; W193-D263 HydrophobicContact CZ3-CB 4.4Å
194	I	98.9	Very high	98.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	109.9	174.4	-58.7	169.9	0	0	0	107.4	A218 P250 A254 I261 T262 Y284 V286 T290	I194-A218 HydrophobicContact CG1-CB 4.49Å; I194-P250 HydrophobicContact CD1-CB 4.37Å; I194-P250 WeakPolarHBondContact CD1-O 3.36Å; I194-P250 HydrophobicContact CG2-CB 3.84Å; I194-P250 HydrophobicContact CG2-CG 4.25Å; I194-A254 HydrophobicContact CD1-CB 4.17Å; I194-I261 PolarHBondContact N-O 3.4Å; I194-T262 VanDerWaalsContact O-CB 3.22Å; I194-T262 WeakPolarHBondContact O-CB 3.48Å; I194-T262 PolarHBondContact O-OG1 3.07Å; I194-Y284 HydrophobicContact CG2-CD1 3.82Å; I194-Y284 HydrophobicContact CG2-CG 4.44Å; I194-Y284 WeakPolarHBondContact CG2-O 3.44Å; I194-V286 HydrophobicContact CB-CG2 4.31Å; I194-V286 HydrophobicContact CD1-CG2 4.36Å; I194-V286 HydrophobicContact CG2-CG2 4.48Å; I194-T290 HydrophobicContact CD1-CG2 3.42Å; I194-T290 VanDerWaalsContact CD1-CG2 3.42Å
195	G	98.5	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	158.2	-146.8	-177.4	0	0	0	0	0	113.4	A218 T219 P220	G195-A218 PolarHBondContact N-O 2.94Å; G195-T219 WeakPolarHBondContact O-CA 3.41Å; G195-T219 WeakPolarHBondContact O-CG2 3.35Å; G195-P220 WeakPolarHBondContact O-CD 3.49Å
196	D	98.1	Very high	98.7	Very high	11 Å²	11	14 Å²	14	6%	0.059	8%	0.08	C	C	.	.			trans	-81.2	154.2	-177.2	-166.6	19.4	0	0	0	111.6	W193 N198 R277 F281	W193-D196 WeakPolarHBondContact CZ2-O 3.35Å; W193-D196 PolarHBondContact NE1-O 3.35Å; D196-N198 HydrophobicContact CB-CB 4.2Å; D196-N198 PolarHBondContact O-N 3.24Å; D196-R277 VanDerWaalsContact CG-NH1 3.28Å; D196-R277 IonicContact OD1-NH1 3.34Å; D196-R277 IonicContact OD2-CZ 2.68Å; D196-R277 IonicContact OD2-NH1 2.67Å; D196-R277 PolarHBondContact OD2-NH1 2.84Å; D196-R277 IonicContact OD2-NH2 2.76Å; D196-F281 HydrophobicContact CB-CE1 3.99Å; D196-F281 HydrophobicContact CB-CZ 3.82Å
197	G	98.1	Very high	98.7	Very high	12 Å²	12	14 Å²	14	12%	0.124	8%	0.08	C	C	.	.	S	Bend	trans	-75.8	53.8	172.5	0	0	0	0	0	112.8	H202 Y223	G197-H202 PolarHBondContact O-NE2 2.93Å; G197-Y223 WeakPolarHBondContact CA-O 3.15Å; G197-Y223 PolarHBondContact N-O 2.97Å
198	N	97.4	Very high	98.7	Very high	12 Å²	12	6.6 Å²	6.6	6%	0.064	5%	0.048	C	C	.	.			trans	-99.9	-174.5	-164.4	77.7	9	0	0	0	114.3	D196 I200 L201 H202 D263	D196-N198 HydrophobicContact CB-CB 4.2Å; D196-N198 PolarHBondContact O-N 3.24Å; N198-I200 VanDerWaalsContact C-N 3.26Å; N198-I200 PolarHBondContact O-N 3.12Å; N198-I200 WeakPolarHBondContact OD1-CB 3.47Å; N198-I200 PolarHBondContact OD1-N 2.86Å; N198-L201 PolarHBondContact O-N 3.45Å; N198-L201 PolarHBondContact OD1-N 3.35Å; N198-H202 PolarHBondContact O-CD2 3.22Å; N198-H202 VanDerWaalsContact O-CG 3.24Å; N198-H202 PolarHBondContact O-N 3.01Å; N198-D263 PolarHBondContact ND2-OD2 2.94Å
199	N	97.7	Very high	98.7	Very high	15 Å²	15	5.1 Å²	5.1	8%	0.08	3%	0.032	C	C	.	.	H	α-helix	trans	-57.6	-29	179.5	54.9	11	0	0	0	115.4	S164 L166 H168 S203	S164-N199 PolarHBondContact O-ND2 3.4Å; L166-N199 WeakPolarHBondContact O-CA 3.41Å; H168-N199 PolarHBondContact N-O 3.47Å; N199-S203 WeakPolarHBondContact O-CB 3.17Å; N199-S203 PolarHBondContact O-N 3.48Å; N199-S203 VanDerWaalsContact O-N 3.15Å; N199-S203 PolarHBondContact O-OG 3.37Å
200	I	98.8	Very high	98.7	Very high	3 Å²	3	5.5 Å²	5.5	2%	0.015	3%	0.033	C	C	.	.	H	α-helix	trans	-70.2	-53.6	174.9	-52.6	-52.2	0	0	0	108.9	H168 Q171 I172 W193 N198 H202 S203 I204 C303	H168-I200 HydrophobicContact CB-CD1 3.74Å; Q171-I200 HydrophobicContact CB-CD1 4.38Å; Q171-I200 HydrophobicContact CG-CD1 4.18Å; I172-I200 HydrophobicContact CD1-CG2 3.98Å; W193-I200 HydrophobicContact CH2-CB 3.74Å; W193-I200 HydrophobicContact CH2-CG1 4.49Å; W193-I200 HydrophobicContact CH2-CG2 3.94Å; W193-I200 HydrophobicContact CZ3-CB 3.95Å; W193-I200 HydrophobicContact CZ3-CG2 3.6Å; N198-I200 VanDerWaalsContact C-N 3.26Å; N198-I200 PolarHBondContact O-N 3.12Å; N198-I200 WeakPolarHBondContact OD1-CB 3.47Å; N198-I200 PolarHBondContact OD1-N 2.86Å; I200-H202 VanDerWaalsContact C-N 3.29Å; I200-H202 PolarHBondContact O-N 3.02Å; I200-S203 WeakPolarHBondContact O-CB 3.21Å; I200-S203 PolarHBondContact O-N 3.48Å; I200-I204 HydrophobicContact CG2-CD1 4.25Å; I200-I204 WeakPolarHBondContact O-CG1 3.21Å; I200-I204 PolarHBondContact O-N 2.91Å; I200-C303 HydrophobicContact CD1-CB 4.43Å
201	L	98.9	Very high	98.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-55.9	-46	177.3	177.3	57.8	0	0	0	110.9	W193 N198 S203 I204 M205 L215 A217 T219 P225	W193-L201 HydrophobicContact CB-CD1 3.96Å; W193-L201 HydrophobicContact CD2-CB 4.07Å; W193-L201 HydrophobicContact CD2-CD1 4.14Å; W193-L201 HydrophobicContact CG-CB 4.43Å; W193-L201 HydrophobicContact CG-CD1 3.73Å; W193-L201 HydrophobicContact CG-CD2 4.35Å; W193-L201 HydrophobicContact CG-CG 4.37Å; W193-L201 HydrophobicContact CZ2-CB 4.07Å; N198-L201 PolarHBondContact O-N 3.45Å; N198-L201 PolarHBondContact OD1-N 3.35Å; L201-S203 PolarHBondContact O-N 3.15Å; L201-I204 WeakPolarHBondContact O-CB 3.22Å; L201-I204 PolarHBondContact O-N 3.21Å; L201-I204 VanDerWaalsContact O-N 3.13Å; L201-M205 HydrophobicContact CD1-CG 4.04Å; L201-M205 HydrophobicContact CD1-SD 4.15Å; L201-M205 HydrophobicContact CD2-SD 4.31Å; L201-M205 HydrophobicContact CG-CG 4.23Å; L201-M205 HydrophobicContact CG-SD 3.78Å; L201-M205 WeakPolarHBondContact O-CB 3.35Å; L201-M205 VanDerWaalsContact O-CG 3.23Å; L201-M205 WeakPolarHBondContact O-CG 3.33Å; L201-M205 PolarHBondContact O-N 3.31Å; L201-L215 HydrophobicContact CD1-CD2 4.22Å; L201-A217 HydrophobicContact CD1-CB 3.95Å; L201-A217 HydrophobicContact CD2-CB 4.21Å; L201-T219 HydrophobicContact CD2-CG2 4.11Å; L201-P225 HydrophobicContact CD2-CB 3.98Å; L201-P225 HydrophobicContact CD2-CG 4Å
202	H	98.9	Very high	98.7	Very high	9 Å²	9	5.9 Å²	5.9	4%	0.042	4%	0.037	C	C	.	.	H	α-helix	trans	-56.5	-40	176.2	-65	167.2	0	0	0	112.5	L166 Y167 G197 N198 I200 M205 M206 P225 D226 V229	L166-H202 WeakPolarHBondContact O-CB 3.42Å; L166-H202 PolarHBondContact O-ND1 2.71Å; Y167-H202 HydrophobicContact CD1-CB 3.85Å; Y167-H202 HydrophobicContact CE1-CB 3.91Å; G197-H202 PolarHBondContact O-NE2 2.93Å; N198-H202 PolarHBondContact O-CD2 3.22Å; N198-H202 VanDerWaalsContact O-CG 3.24Å; N198-H202 PolarHBondContact O-N 3.01Å; I200-H202 VanDerWaalsContact C-N 3.29Å; I200-H202 PolarHBondContact O-N 3.02Å; H202-M205 WeakPolarHBondContact O-CB 3.27Å; H202-M205 PolarHBondContact O-N 2.89Å; H202-M206 VanDerWaalsContact O-CG 3.24Å; H202-M206 WeakPolarHBondContact O-CG 3.46Å; H202-M206 PolarHBondContact O-N 2.87Å; H202-P225 WeakPolarHBondContact NE2-CA 3.35Å; H202-D226 PolarHBondContact NE2-N 2.86Å; H202-V229 HydrophobicContact CB-CG1 3.83Å; H202-V229 HydrophobicContact CB-CG2 4.36Å
203	S	98.9	Very high	98.7	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-71.7	-34.4	179.8	-56	0	0	0	0	112.2	H168 N199 I200 L201 M206 S207	H168-S203 PolarHBondContact N-OG 2.84Å; N199-S203 WeakPolarHBondContact O-CB 3.17Å; N199-S203 PolarHBondContact O-N 3.48Å; N199-S203 VanDerWaalsContact O-N 3.15Å; N199-S203 PolarHBondContact O-OG 3.37Å; I200-S203 WeakPolarHBondContact O-CB 3.21Å; I200-S203 PolarHBondContact O-N 3.48Å; L201-S203 PolarHBondContact O-N 3.15Å; S203-M206 PolarHBondContact O-N 3.41Å; S203-S207 PolarHBondContact O-OG 2.82Å
204	I	98.9	Very high	98.7	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-62.9	-48.8	170.1	-62.3	171.6	0	0	0	109.4	I172 L191 W193 I200 L201 M206 S207 A208 L215 I261	I172-I204 HydrophobicContact CD1-CD1 4.32Å; I172-I204 HydrophobicContact CD1-CG1 3.49Å; I172-I204 VanDerWaalsContact CD1-CG1 3.49Å; I172-I204 HydrophobicContact CG1-CG1 4.28Å; L191-I204 HydrophobicContact CD1-CG2 3.87Å; W193-I204 HydrophobicContact CE3-CD1 3.93Å; W193-I204 HydrophobicContact CZ3-CD1 4.3Å; I200-I204 HydrophobicContact CG2-CD1 4.25Å; I200-I204 WeakPolarHBondContact O-CG1 3.21Å; I200-I204 PolarHBondContact O-N 2.91Å; L201-I204 WeakPolarHBondContact O-CB 3.22Å; L201-I204 PolarHBondContact O-N 3.21Å; L201-I204 VanDerWaalsContact O-N 3.13Å; I204-M206 PolarHBondContact O-N 3.32Å; I204-S207 PolarHBondContact O-N 3.19Å; I204-S207 PolarHBondContact O-OG 3.17Å; I204-A208 HydrophobicContact CG2-CB 4.07Å; I204-A208 WeakPolarHBondContact O-CB 3.43Å; I204-A208 PolarHBondContact O-N 2.9Å; I204-L215 HydrophobicContact CG2-CD1 3.7Å; I204-L215 HydrophobicContact CG2-CD2 4Å; I204-L215 HydrophobicContact CG2-CG 4.46Å; I204-I261 HydrophobicContact CD1-CD1 4.04Å; I204-I261 HydrophobicContact CD1-CG2 4.41Å
205	M	98.9	Very high	98.7	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.02	5%	0.048	C	C	.	.	H	α-helix	trans	-57.9	-34.7	178.3	-72.2	174.1	83.8	0	0	112.7	L201 H202 S207 L215 P225 V229 T230 A233	L201-M205 HydrophobicContact CD1-CG 4.04Å; L201-M205 HydrophobicContact CD1-SD 4.15Å; L201-M205 HydrophobicContact CD2-SD 4.31Å; L201-M205 HydrophobicContact CG-CG 4.23Å; L201-M205 HydrophobicContact CG-SD 3.78Å; L201-M205 WeakPolarHBondContact O-CB 3.35Å; L201-M205 VanDerWaalsContact O-CG 3.23Å; L201-M205 WeakPolarHBondContact O-CG 3.33Å; L201-M205 PolarHBondContact O-N 3.31Å; H202-M205 WeakPolarHBondContact O-CB 3.27Å; H202-M205 PolarHBondContact O-N 2.89Å; M205-S207 PolarHBondContact O-N 3.34Å; M205-L215 HydrophobicContact CB-CD2 4.44Å; M205-L215 HydrophobicContact CG-CD2 3.55Å; M205-P225 HydrophobicContact CE-CB 4.24Å; M205-P225 HydrophobicContact CE-CG 4.07Å; M205-P225 HydrophobicContact SD-CB 3.75Å; M205-P225 HydrophobicContact SD-CG 3.99Å; M205-V229 HydrophobicContact CB-CG1 4Å; M205-V229 HydrophobicContact CE-CG1 4.17Å; M205-V229 HydrophobicContact SD-CG1 3.88Å; M205-T230 VanDerWaalsContact CE-CA 3.47Å; M205-A233 HydrophobicContact CB-CB 3.81Å; M205-A233 HydrophobicContact CE-CB 3.67Å; M205-A233 HydrophobicContact CG-CB 4.25Å
206	M	98.9	Very high	98.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.1	177.1	-71	-53.5	109.8	0	0	114.8	L45 K46 Y167 H202 S203 I204 K210 V229 L232 Y236	L45-M206 HydrophobicContact CB-CB 4.32Å; K46-M206 HydrophobicContact CB-CB 4.44Å; K46-M206 HydrophobicContact CB-CG 4.02Å; K46-M206 HydrophobicContact CB-SD 3.49Å; K46-M206 WeakPolarHBondContact CB-SD 3.46Å; Y167-M206 HydrophobicContact CD1-CG 4.4Å; Y167-M206 HydrophobicContact CE1-CG 3.81Å; H202-M206 VanDerWaalsContact O-CG 3.24Å; H202-M206 WeakPolarHBondContact O-CG 3.46Å; H202-M206 PolarHBondContact O-N 2.87Å; S203-M206 PolarHBondContact O-N 3.41Å; I204-M206 PolarHBondContact O-N 3.32Å; M206-K210 WeakPolarHBondContact O-CE 3.38Å; M206-K210 PolarHBondContact O-NZ 3.15Å; M206-K210 VanDerWaalsContact O-NZ 3.1Å; M206-V229 HydrophobicContact CE-CB 4.07Å; M206-V229 HydrophobicContact CE-CG1 3.41Å; M206-V229 VanDerWaalsContact CE-CG1 3.41Å; M206-V229 WeakPolarHBondContact CE-O 3.14Å; M206-L232 HydrophobicContact CE-CB 4.1Å; M206-L232 HydrophobicContact CE-CD2 4.12Å; M206-L232 HydrophobicContact CE-CG 4.22Å; M206-L232 HydrophobicContact SD-CD2 3.67Å; M206-L232 HydrophobicContact SD-CG 4.24Å; M206-Y236 HydrophobicContact SD-CE2 3.99Å
207	S	98.9	Very high	98.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-31.2	-168.8	60.7	0	0	0	0	116.5	I172 Y176 S203 I204 M205 A209 K210 F211	I172-S207 WeakPolarHBondContact CG2-OG 3.43Å; Y176-S207 WeakPolarHBondContact CE2-OG 3.46Å; Y176-S207 PolarHBondContact OH-OG 3.23Å; Y176-S207 VanDerWaalsContact OH-OG 3.1Å; S203-S207 PolarHBondContact O-OG 2.82Å; I204-S207 PolarHBondContact O-N 3.19Å; I204-S207 PolarHBondContact O-OG 3.17Å; M205-S207 PolarHBondContact O-N 3.34Å; S207-A209 PolarHBondContact O-N 2.83Å; S207-K210 VanDerWaalsContact O-CB 3.31Å; S207-K210 WeakPolarHBondContact O-CB 3.46Å; S207-K210 PolarHBondContact O-N 3.13Å; S207-F211 WeakPolarHBondContact O-CD2 3.47Å
208	A	98.9	Very high	98.8	Very high	2 Å²	2	8.5 Å²	8.5	2%	0.017	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-55.1	-50.3	-174.2	0	0	0	0	0	113.1	Y176 L191 I204 K210 F211 G212 M213	Y176-A208 VanDerWaalsContact OH-CA 3.25Å; Y176-A208 WeakPolarHBondContact OH-CA 3.32Å; Y176-A208 WeakPolarHBondContact OH-CB 3.3Å; Y176-A208 PolarHBondContact OH-N 3.47Å; L191-A208 HydrophobicContact CD1-CB 4.12Å; I204-A208 HydrophobicContact CG2-CB 4.07Å; I204-A208 WeakPolarHBondContact O-CB 3.43Å; I204-A208 PolarHBondContact O-N 2.9Å; A208-K210 PolarHBondContact O-N 3.07Å; A208-F211 PolarHBondContact O-N 3.11Å; A208-G212 PolarHBondContact O-N 3.45Å; A208-M213 HydrophobicContact CB-CB 4.26Å; A208-M213 WeakPolarHBondContact O-CB 3.47Å; A208-M213 PolarHBondContact O-N 2.96Å; A208-M213 VanDerWaalsContact O-N 3.11Å
209	A	98.9	Very high	98.8	Very high	8 Å²	8	8.2 Å²	8.2	7%	0.066	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-59.5	-32.7	178.9	0	0	0	0	0	112.6	S207 F211 G212 N240 T242	S207-A209 PolarHBondContact O-N 2.83Å; A209-F211 PolarHBondContact O-N 3.12Å; A209-F211 VanDerWaalsContact O-N 3.16Å; A209-G212 PolarHBondContact O-N 3.29Å; A209-N240 HydrophobicContact CB-CB 4.3Å; A209-N240 WeakPolarHBondContact O-CB 3.37Å; A209-N240 PolarHBondContact O-OD1 3.22Å; A209-T242 WeakPolarHBondContact CB-OG1 3.48Å
210	K	98.8	Very high	98.9	Very high	23 Å²	23	7.7 Å²	7.7	10%	0.1	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-66.5	-17.3	178.2	-56.1	178.4	179.5	173.7	0	113	L45 K46 F48 I53 M206 S207 A208	L45-K210 PolarHBondContact O-NZ 3.29Å; K46-K210 PolarHBondContact O-NZ 2.82Å; F48-K210 WeakPolarHBondContact O-CD 3.38Å; F48-K210 PolarHBondContact O-NZ 2.9Å; I53-K210 HydrophobicContact CD1-CD 4.13Å; M206-K210 WeakPolarHBondContact O-CE 3.38Å; M206-K210 PolarHBondContact O-NZ 3.15Å; M206-K210 VanDerWaalsContact O-NZ 3.1Å; S207-K210 VanDerWaalsContact O-CB 3.31Å; S207-K210 WeakPolarHBondContact O-CB 3.46Å; S207-K210 PolarHBondContact O-N 3.13Å; A208-K210 PolarHBondContact O-N 3.07Å
211	F	98.8	Very high	98.8	Very high	7 Å²	7	15.6 Å²	15.6	3%	0.031	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-99.2	0.5	171.9	-76.4	-92.9	0	0	0	113.3	I53 K54 L57 Y176 L186 K187 S207 A208 A209 M213 F354	I53-F211 HydrophobicContact CB-CE2 3.81Å; I53-F211 HydrophobicContact CB-CZ 3.8Å; I53-F211 HydrophobicContact CD1-CE2 4.26Å; I53-F211 HydrophobicContact CG2-CE2 3.59Å; I53-F211 HydrophobicContact CG2-CZ 3.57Å; K54-F211 HydrophobicContact CD-CE1 4.47Å; K54-F211 HydrophobicContact CG-CD1 4.18Å; K54-F211 HydrophobicContact CG-CE1 3.44Å; K54-F211 VanDerWaalsContact CG-CE1 3.44Å; K54-F211 HydrophobicContact CG-CZ 3.94Å; L57-F211 HydrophobicContact CD1-CE1 3.77Å; L57-F211 HydrophobicContact CD1-CZ 3.7Å; Y176-F211 AromaticContact CD2-CD2 3.89Å; Y176-F211 HydrophobicContact CD2-CD2 3.89Å; Y176-F211 AromaticContact CD2-CE2 3.75Å; Y176-F211 HydrophobicContact CD2-CE2 3.75Å; Y176-F211 HydrophobicContact CD2-CG 4.49Å; Y176-F211 HydrophobicContact CD2-CZ 4.21Å; Y176-F211 AromaticContact CE2-CD2 3.82Å; Y176-F211 HydrophobicContact CE2-CD2 3.82Å; Y176-F211 AromaticContact CE2-CE2 3.98Å; Y176-F211 HydrophobicContact CE2-CE2 3.98Å; L186-F211 HydrophobicContact CB-CB 4.43Å; L186-F211 HydrophobicContact CB-CD1 4.33Å; L186-F211 HydrophobicContact CD1-CD1 3.52Å; L186-F211 HydrophobicContact CD1-CE1 3.81Å; L186-F211 HydrophobicContact CD1-CG 4.21Å; K187-F211 WeakPolarHBondContact CA-O 3.38Å; S207-F211 WeakPolarHBondContact O-CD2 3.47Å; A208-F211 PolarHBondContact O-N 3.11Å; A209-F211 PolarHBondContact O-N 3.12Å; A209-F211 VanDerWaalsContact O-N 3.16Å; F211-M213 VanDerWaalsContact C-N 3.26Å; F211-M213 HydrophobicContact CB-CE 3.82Å; F211-M213 HydrophobicContact CB-CG 4.27Å; F211-M213 HydrophobicContact CG-CE 4.28Å; F211-F354 HydrophobicContact CE1-CD1 4.09Å; F211-F354 HydrophobicContact CE1-CG 4.49Å
212	G	98.7	Very high	98.7	Very high	15 Å²	15	18.6 Å²	18.6	16%	0.155	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	23.4	-172.9	0	0	0	0	0	112.9	G188 A208 A209 T242	G188-G212 PolarHBondContact N-O 3.32Å; A208-G212 PolarHBondContact O-N 3.45Å; A209-G212 PolarHBondContact O-N 3.29Å; G212-T242 VanDerWaalsContact C-CG2 3.48Å
213	M	98.9	Very high	98.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.113	C	C	.	.			trans	-87.8	148.7	172.3	-69.2	-172.2	-72.1	0	0	110.7	Y176 L186 L189 L191 A208 F211 T242	Y176-M213 HydrophobicContact CD1-CE 3.89Å; Y176-M213 HydrophobicContact CD2-CE 4Å; Y176-M213 HydrophobicContact CE1-CE 3.53Å; Y176-M213 HydrophobicContact CE2-CE 3.63Å; Y176-M213 HydrophobicContact CG-CE 4.12Å; L186-M213 HydrophobicContact CB-CE 4.44Å; L186-M213 HydrophobicContact CB-CG 4.32Å; L186-M213 HydrophobicContact CB-SD 3.99Å; L186-M213 HydrophobicContact CD2-SD 4.26Å; L186-M213 WeakPolarHBondContact O-CG 3.24Å; L189-M213 HydrophobicContact CB-CG 4.13Å; L189-M213 HydrophobicContact CB-SD 4.17Å; L189-M213 HydrophobicContact CD1-SD 4.42Å; L189-M213 CarbonylContact O-C 3.54Å; L189-M213 VanDerWaalsContact O-CA 3.31Å; L189-M213 WeakPolarHBondContact O-CA 3.49Å; L189-M213 WeakPolarHBondContact O-CB 3.49Å; L191-M213 HydrophobicContact CD1-CE 4.06Å; L191-M213 HydrophobicContact CD1-SD 4.06Å; L191-M213 HydrophobicContact CD2-SD 4.01Å; L191-M213 HydrophobicContact CG-SD 4.15Å; A208-M213 HydrophobicContact CB-CB 4.26Å; A208-M213 WeakPolarHBondContact O-CB 3.47Å; A208-M213 PolarHBondContact O-N 2.96Å; A208-M213 VanDerWaalsContact O-N 3.11Å; F211-M213 VanDerWaalsContact C-N 3.26Å; F211-M213 HydrophobicContact CB-CE 3.82Å; F211-M213 HydrophobicContact CB-CG 4.27Å; F211-M213 HydrophobicContact CG-CE 4.28Å; M213-T242 WeakPolarHBondContact O-CB 3.37Å; M213-T242 VanDerWaalsContact O-CG2 3.32Å; M213-T242 WeakPolarHBondContact O-CG2 3.46Å
214	H	98.9	Very high	98.6	Very high	42 Å²	42	24.7 Å²	24.7	19%	0.194	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	152.5	170.7	-53.1	-34.9	0	0	0	110.1	L189 T190 L191 K243	L189-H214 PolarHBondContact O-N 3.36Å; T190-H214 HydrophobicContact CG2-CB 4.24Å; L191-H214 PolarHBondContact N-O 3.33Å; H214-K243 WeakPolarHBondContact CA-O 3.36Å; H214-K243 HydrophobicContact CB-CB 4.27Å; H214-K243 PolarHBondContact ND1-N 3.44Å
215	L	98.9	Very high	98.6	Very high	6 Å²	6	25 Å²	25	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.1	175.4	-177.8	61.2	0	0	0	110.3	L191 L201 I204 M205 K243 L244 L245	L191-L215 HydrophobicContact CB-CD1 3.99Å; L191-L215 WeakPolarHBondContact O-CA 3.43Å; L201-L215 HydrophobicContact CD1-CD2 4.22Å; I204-L215 HydrophobicContact CG2-CD1 3.7Å; I204-L215 HydrophobicContact CG2-CD2 4Å; I204-L215 HydrophobicContact CG2-CG 4.46Å; M205-L215 HydrophobicContact CB-CD2 4.44Å; M205-L215 HydrophobicContact CG-CD2 3.55Å; L215-K243 PolarHBondContact N-O 3.32Å; L215-L244 HydrophobicContact CB-CD1 3.92Å; L215-L244 HydrophobicContact CD2-CD1 3.84Å; L215-L244 HydrophobicContact CG-CD1 4.01Å; L215-L244 CarbonylContact O-C 3.53Å; L215-L244 VanDerWaalsContact O-CA 3.3Å; L215-L244 WeakPolarHBondContact O-CA 3.12Å; L215-L245 PolarHBondContact O-N 3.13Å
216	Q	98.9	Very high	98.6	Very high	31 Å²	31	27.4 Å²	27.4	15%	0.145	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.4	169.4	-55.1	-179.5	13.3	0	0	107.2	T190 L191 S192 W193 L245 E252 A253 H255	T190-Q216 HydrophobicContact CG2-CG 3.88Å; L191-Q216 PolarHBondContact O-N 3.04Å; S192-Q216 CarbonylContact C-O 3.43Å; S192-Q216 VanDerWaalsContact CA-O 3.29Å; S192-Q216 WeakPolarHBondContact CA-O 3.09Å; W193-Q216 PolarHBondContact N-O 3.01Å; Q216-L245 CarbonylContact C-O 3.53Å; Q216-L245 WeakPolarHBondContact CA-O 3.42Å; Q216-L245 HydrophobicContact CB-CB 4.26Å; Q216-L245 HydrophobicContact CB-CD2 4.28Å; Q216-L245 HydrophobicContact CG-CB 4.12Å; Q216-L245 HydrophobicContact CG-CD2 4.21Å; Q216-E252 PolarHBondContact OE1-O 3.24Å; Q216-A253 HydrophobicContact CB-CB 4.33Å; Q216-A253 WeakPolarHBondContact CB-O 3.46Å; Q216-A253 PolarHBondContact OE1-O 3Å; Q216-H255 PolarHBondContact OE1-O 3.37Å
217	A	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.1	-175.9	0	0	0	0	0	110.9	W193 L201 L245 L246 T247	W193-A217 HydrophobicContact CB-CB 3.95Å; W193-A217 HydrophobicContact CG-CB 4.36Å; W193-A217 CarbonylContact O-C 3.6Å; W193-A217 WeakPolarHBondContact O-CA 3.33Å; L201-A217 HydrophobicContact CD1-CB 3.95Å; L201-A217 HydrophobicContact CD2-CB 4.21Å; A217-L245 PolarHBondContact N-O 3.35Å; A217-L246 HydrophobicContact CB-CD2 3.84Å; A217-L246 WeakPolarHBondContact O-CA 3.45Å; A217-T247 PolarHBondContact O-N 2.78Å
218	A	98.9	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.3	168.6	0	0	0	0	0	109.9	W193 I194 G195 T247 A253 Y284	W193-A218 PolarHBondContact O-N 3.4Å; I194-A218 HydrophobicContact CG1-CB 4.49Å; G195-A218 PolarHBondContact N-O 2.94Å; A218-T247 VanDerWaalsContact CA-O 3.3Å; A218-T247 WeakPolarHBondContact CA-O 3.4Å; A218-T247 HydrophobicContact CB-CG2 4.07Å; A218-A253 HydrophobicContact CB-CB 3.55Å; A218-Y284 HydrophobicContact CB-CE1 4.11Å
219	T	98.8	Very high	98.6	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.031	21%	0.208	C	C	.	.			trans	-128.5	144.2	171	59.1	0	0	0	0	110.1	G195 L201 Y223 T247 N248 Y284	G195-T219 WeakPolarHBondContact O-CA 3.41Å; G195-T219 WeakPolarHBondContact O-CG2 3.35Å; L201-T219 HydrophobicContact CD2-CG2 4.11Å; T219-Y223 WeakPolarHBondContact CB-O 3.48Å; T219-T247 PolarHBondContact N-O 2.95Å; T219-T247 VanDerWaalsContact N-O 3.07Å; T219-N248 WeakPolarHBondContact O-CA 3.47Å; T219-N248 PolarHBondContact O-OD1 3.49Å; T219-Y284 PolarHBondContact O-OH 3.22Å; T219-Y284 VanDerWaalsContact O-OH 3.05Å
220	P	98.3	Very high	98.6	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.026	21%	0.21	C	C	.	.			trans	-59.8	151.7	171.8	-20.5	31.9	0	0	0	111.4	G195 G222 Y223 A280 F281 Y284	G195-P220 WeakPolarHBondContact O-CD 3.49Å; P220-G222 PolarHBondContact O-N 3.25Å; P220-Y223 HydrophobicContact CB-CD2 3.94Å; P220-Y223 WeakPolarHBondContact O-CB 3.45Å; P220-Y223 PolarHBondContact O-N 3.36Å; P220-A280 HydrophobicContact CB-CB 4.46Å; P220-F281 HydrophobicContact CG-CD1 3.77Å; P220-F281 HydrophobicContact CG-CD2 3.78Å; P220-F281 HydrophobicContact CG-CE1 3.84Å; P220-F281 HydrophobicContact CG-CE2 3.86Å; P220-F281 HydrophobicContact CG-CG 3.75Å; P220-F281 HydrophobicContact CG-CZ 3.89Å; P220-Y284 WeakPolarHBondContact CA-OH 3.15Å; P220-Y284 HydrophobicContact CB-CE2 4.25Å; P220-Y284 VanDerWaalsContact CD-CE1 3.42Å; P220-Y284 HydrophobicContact CG-CD1 4.07Å; P220-Y284 HydrophobicContact CG-CD2 4.04Å; P220-Y284 HydrophobicContact CG-CE1 3.8Å; P220-Y284 HydrophobicContact CG-CE2 3.78Å; P220-Y284 HydrophobicContact CG-CG 4.2Å
221	K	97.8	Very high	98.6	Very high	169 Å²	169	43.1 Å²	43.1	74%	0.735	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	130.7	176.4	-72.1	-174	179.1	-179.7	0	111.1	Y223 E224 N248	K221-Y223 VanDerWaalsContact C-N 3.32Å; K221-E224 WeakPolarHBondContact CA-OE1 3.25Å; K221-N248 WeakPolarHBondContact CA-OD1 3.43Å; K221-N248 HydrophobicContact CG-CB 4.44Å; K221-N248 WeakPolarHBondContact CG-OD1 3.32Å; K221-N248 PolarHBondContact N-OD1 3.17Å
222	G	96.9	Very high	98.6	Very high	63 Å²	63	44.8 Å²	44.8	65%	0.649	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	3.1	-176.2	0	0	0	0	0	114.6	P220 E224	P220-G222 PolarHBondContact O-N 3.25Å; G222-E224 VanDerWaalsContact C-OE2 3.23Å; G222-E224 WeakPolarHBondContact CA-OE2 3.31Å; G222-E224 PolarHBondContact N-OE1 3.27Å; G222-E224 PolarHBondContact N-OE2 3.23Å
223	Y	97.6	Very high	98.6	Very high	41 Å²	41	44.3 Å²	44.3	16%	0.161	24%	0.242	C	C	.	.			trans	-122.8	26.5	176.1	-63.4	-94.1	0	0	0	110.9	G197 T219 P220 K221 R277 A280 F281	G197-Y223 WeakPolarHBondContact CA-O 3.15Å; G197-Y223 PolarHBondContact N-O 2.97Å; T219-Y223 WeakPolarHBondContact CB-O 3.48Å; P220-Y223 HydrophobicContact CB-CD2 3.94Å; P220-Y223 WeakPolarHBondContact O-CB 3.45Å; P220-Y223 PolarHBondContact O-N 3.36Å; K221-Y223 VanDerWaalsContact C-N 3.32Å; Y223-R277 HydrophobicContact CE1-CG 3.71Å; Y223-R277 VanDerWaalsContact CE1-CZ 3.49Å; Y223-A280 HydrophobicContact CD2-CB 4.34Å; Y223-A280 HydrophobicContact CE2-CB 3.56Å; Y223-F281 AromaticContact CD1-CE2 3.69Å; Y223-F281 HydrophobicContact CD1-CE2 3.69Å; Y223-F281 AromaticContact CD1-CZ 3.98Å; Y223-F281 HydrophobicContact CD1-CZ 3.98Å; Y223-F281 HydrophobicContact CD2-CE2 4.1Å; Y223-F281 AromaticContact CE1-CE2 3.84Å; Y223-F281 HydrophobicContact CE1-CE2 3.84Å; Y223-F281 HydrophobicContact CE2-CE2 4.22Å; Y223-F281 AromaticContact CG-CE2 3.82Å; Y223-F281 HydrophobicContact CG-CE2 3.82Å; Y223-F281 HydrophobicContact CG-CZ 4.09Å
224	E	98.6	Very high	98.6	Very high	96 Å²	96	49.4 Å²	49.4	45%	0.449	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-66	153.4	178.6	-60.7	81.5	-176.1	0	0	111.6	K221 G222	K221-E224 WeakPolarHBondContact CA-OE1 3.25Å; G222-E224 VanDerWaalsContact C-OE2 3.23Å; G222-E224 WeakPolarHBondContact CA-OE2 3.31Å; G222-E224 PolarHBondContact N-OE1 3.27Å; G222-E224 PolarHBondContact N-OE2 3.23Å
225	P	98.6	Very high	98.6	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.045	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-59.8	156	171.6	25.6	-34.5	0	0	0	111.8	L201 H202 M205 L246	L201-P225 HydrophobicContact CD2-CB 3.98Å; L201-P225 HydrophobicContact CD2-CG 4Å; H202-P225 WeakPolarHBondContact NE2-CA 3.35Å; M205-P225 HydrophobicContact CE-CB 4.24Å; M205-P225 HydrophobicContact CE-CG 4.07Å; M205-P225 HydrophobicContact SD-CB 3.75Å; M205-P225 HydrophobicContact SD-CG 3.99Å; P225-L246 HydrophobicContact CG-CD1 4.4Å
226	D	98.6	Very high	98.6	Very high	56 Å²	56	53.2 Å²	53.2	30%	0.299	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-50.1	131	179.1	178.6	-84.7	0	0	0	111.2	L166 H202 S228 V229 T230	L166-D226 HydrophobicContact CD1-CB 4.41Å; H202-D226 PolarHBondContact NE2-N 2.86Å; D226-S228 PolarHBondContact O-N 3.33Å; D226-S228 WeakPolarHBondContact OD1-CA 3.38Å; D226-S228 VanDerWaalsContact OD1-CB 3.22Å; D226-S228 WeakPolarHBondContact OD1-CB 3.35Å; D226-S228 PolarHBondContact OD1-N 2.89Å; D226-S228 PolarHBondContact OD1-OG 2.99Å; D226-V229 HydrophobicContact CB-CB 4.15Å; D226-V229 HydrophobicContact CB-CG2 3.85Å; D226-V229 WeakPolarHBondContact O-CB 3.34Å; D226-V229 PolarHBondContact O-N 3.17Å; D226-V229 VanDerWaalsContact O-N 3.13Å; D226-V229 PolarHBondContact OD1-N 3.47Å; D226-T230 PolarHBondContact O-N 2.69Å; D226-T230 PolarHBondContact O-OG1 3.12Å; D226-T230 VanDerWaalsContact O-OG1 3.09Å
227	P	98.6	Very high	98.6	Very high	105 Å²	105	52.2 Å²	52.2	68%	0.682	28%	0.279	S	S	*	.	H	α-helix	trans	-60	-31.5	-176.3	-27.3	35.1	0	0	0	114.2	T230 K231	P227-T230 PolarHBondContact O-N 3.14Å; P227-K231 WeakPolarHBondContact O-CB 3.45Å; P227-K231 PolarHBondContact O-N 2.72Å
228	S	98.5	Very high	98.5	Very high	80 Å²	80	61 Å²	61	56%	0.559	32%	0.317	S	S	*	.	H	α-helix	trans	-73.4	-37.4	178.3	78.9	0	0	0	0	111.8	D226 L232	D226-S228 PolarHBondContact O-N 3.33Å; D226-S228 WeakPolarHBondContact OD1-CA 3.38Å; D226-S228 VanDerWaalsContact OD1-CB 3.22Å; D226-S228 WeakPolarHBondContact OD1-CB 3.35Å; D226-S228 PolarHBondContact OD1-N 2.89Å; D226-S228 PolarHBondContact OD1-OG 2.99Å; S228-L232 PolarHBondContact O-N 3.13Å
229	V	98.9	Very high	98.5	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-45.5	171.4	174.6	0	0	0	0	109.8	L166 Y167 H202 M205 M206 D226 L232 A233	L166-V229 HydrophobicContact CD1-CG2 4.46Å; Y167-V229 HydrophobicContact CE1-CG2 4.14Å; H202-V229 HydrophobicContact CB-CG1 3.83Å; H202-V229 HydrophobicContact CB-CG2 4.36Å; M205-V229 HydrophobicContact CB-CG1 4Å; M205-V229 HydrophobicContact CE-CG1 4.17Å; M205-V229 HydrophobicContact SD-CG1 3.88Å; M206-V229 HydrophobicContact CE-CB 4.07Å; M206-V229 HydrophobicContact CE-CG1 3.41Å; M206-V229 VanDerWaalsContact CE-CG1 3.41Å; M206-V229 WeakPolarHBondContact CE-O 3.14Å; D226-V229 HydrophobicContact CB-CB 4.15Å; D226-V229 HydrophobicContact CB-CG2 3.85Å; D226-V229 WeakPolarHBondContact O-CB 3.34Å; D226-V229 PolarHBondContact O-N 3.17Å; D226-V229 VanDerWaalsContact O-N 3.13Å; D226-V229 PolarHBondContact OD1-N 3.47Å; V229-L232 PolarHBondContact O-N 2.8Å; V229-A233 WeakPolarHBondContact O-CB 3.39Å; V229-A233 PolarHBondContact O-N 2.97Å
230	T	98.8	Very high	98.5	Very high	18 Å²	18	69.9 Å²	69.9	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-57.2	-52.9	177.8	-62.4	0	0	0	0	112.3	M205 D226 P227 L232 A233 E234 L246	M205-T230 VanDerWaalsContact CE-CA 3.47Å; D226-T230 PolarHBondContact O-N 2.69Å; D226-T230 PolarHBondContact O-OG1 3.12Å; D226-T230 VanDerWaalsContact O-OG1 3.09Å; P227-T230 PolarHBondContact O-N 3.14Å; T230-L232 PolarHBondContact O-N 2.99Å; T230-A233 WeakPolarHBondContact O-CB 3.35Å; T230-A233 PolarHBondContact O-N 3.25Å; T230-A233 VanDerWaalsContact O-N 3.07Å; T230-E234 WeakPolarHBondContact O-CG 3.37Å; T230-E234 PolarHBondContact O-N 2.84Å; T230-L246 HydrophobicContact CG2-CD1 3.48Å; T230-L246 VanDerWaalsContact CG2-CD1 3.48Å
231	K	98.8	Very high	98.5	Very high	158 Å²	158	73 Å²	73	69%	0.687	39%	0.393	S	S	*	.	H	α-helix	trans	-56.9	-39.4	178.7	-175.7	177.6	-179.3	179.3	0	112.6	P227 Q235	P227-K231 WeakPolarHBondContact O-CB 3.45Å; P227-K231 PolarHBondContact O-N 2.72Å; K231-Q235 PolarHBondContact O-N 2.92Å
232	L	98.8	Very high	98.6	Very high	43 Å²	43	65.8 Å²	65.8	23%	0.225	36%	0.364	C	S	.	.	H	α-helix	trans	-73.6	-35.2	178.7	-175	57.9	0	0	0	112	K46 M206 S228 V229 T230 Q235 Y236	K46-L232 HydrophobicContact CB-CD2 4.34Å; M206-L232 HydrophobicContact CE-CB 4.1Å; M206-L232 HydrophobicContact CE-CD2 4.12Å; M206-L232 HydrophobicContact CE-CG 4.22Å; M206-L232 HydrophobicContact SD-CD2 3.67Å; M206-L232 HydrophobicContact SD-CG 4.24Å; S228-L232 PolarHBondContact O-N 3.13Å; V229-L232 PolarHBondContact O-N 2.8Å; T230-L232 PolarHBondContact O-N 2.99Å; L232-Q235 WeakPolarHBondContact O-CB 3.29Å; L232-Q235 PolarHBondContact O-N 2.84Å; L232-Y236 HydrophobicContact CD1-CE1 3.95Å; L232-Y236 HydrophobicContact CD1-CE2 4.18Å; L232-Y236 HydrophobicContact CD2-CE2 4.12Å; L232-Y236 HydrophobicContact CG-CD2 4.32Å; L232-Y236 HydrophobicContact CG-CE1 4.36Å; L232-Y236 HydrophobicContact CG-CE2 3.67Å; L232-Y236 WeakPolarHBondContact O-CD2 3.22Å; L232-Y236 PolarHBondContact O-N 3.46Å
233	A	98.9	Very high	98.7	Very high	5 Å²	5	69.9 Å²	69.9	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-64.6	-39.4	174.1	0	0	0	0	0	112.2	M205 V229 T230 Q235 Y236 A237 L244	M205-A233 HydrophobicContact CB-CB 3.81Å; M205-A233 HydrophobicContact CE-CB 3.67Å; M205-A233 HydrophobicContact CG-CB 4.25Å; V229-A233 WeakPolarHBondContact O-CB 3.39Å; V229-A233 PolarHBondContact O-N 2.97Å; T230-A233 WeakPolarHBondContact O-CB 3.35Å; T230-A233 PolarHBondContact O-N 3.25Å; T230-A233 VanDerWaalsContact O-N 3.07Å; A233-Q235 VanDerWaalsContact C-N 3.31Å; A233-Q235 PolarHBondContact O-N 2.98Å; A233-Y236 PolarHBondContact O-N 3.15Å; A233-A237 WeakPolarHBondContact O-CB 3.21Å; A233-A237 PolarHBondContact O-N 3.33Å; A233-L244 HydrophobicContact CB-CD2 3.83Å
234	E	98.9	Very high	98.7	Very high	108 Å²	108	70.1 Å²	70.1	51%	0.505	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-42.1	172.8	-70.1	173.3	164	0	0	111.5	T230 A237 K238 L244	T230-E234 WeakPolarHBondContact O-CG 3.37Å; T230-E234 PolarHBondContact O-N 2.84Å; E234-A237 PolarHBondContact O-N 3.19Å; E234-K238 PolarHBondContact O-N 3.32Å; E234-L244 HydrophobicContact CB-CD2 4.47Å; E234-L244 HydrophobicContact CG-CD2 3.8Å
235	Q	98.8	Very high	98.7	Very high	100 Å²	100	68.1 Å²	68.1	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-50.4	175.3	178.1	-178.8	-15.1	0	0	111.1	K231 L232 A233 A237 K238 E239	K231-Q235 PolarHBondContact O-N 2.92Å; L232-Q235 WeakPolarHBondContact O-CB 3.29Å; L232-Q235 PolarHBondContact O-N 2.84Å; A233-Q235 VanDerWaalsContact C-N 3.31Å; A233-Q235 PolarHBondContact O-N 2.98Å; Q235-A237 VanDerWaalsContact C-N 3.29Å; Q235-A237 PolarHBondContact O-N 2.97Å; Q235-K238 PolarHBondContact O-N 3.24Å; Q235-E239 HydrophobicContact CG-CG 4.44Å; Q235-E239 VanDerWaalsContact CG-OE1 3.29Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.27Å; Q235-E239 PolarHBondContact NE2-OE1 2.81Å; Q235-E239 WeakPolarHBondContact O-CG 3.42Å; Q235-E239 PolarHBondContact O-N 3.19Å
236	Y	98.8	Very high	98.8	Very high	28 Å²	28	71.1 Å²	71.1	11%	0.11	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-40.3	176.9	-62.7	-33.9	0	0	0	111.9	K46 M206 L232 A233 K238 E239 N240	K46-Y236 PolarHBondContact O-OH 2.89Å; M206-Y236 HydrophobicContact SD-CE2 3.99Å; L232-Y236 HydrophobicContact CD1-CE1 3.95Å; L232-Y236 HydrophobicContact CD1-CE2 4.18Å; L232-Y236 HydrophobicContact CD2-CE2 4.12Å; L232-Y236 HydrophobicContact CG-CD2 4.32Å; L232-Y236 HydrophobicContact CG-CE1 4.36Å; L232-Y236 HydrophobicContact CG-CE2 3.67Å; L232-Y236 WeakPolarHBondContact O-CD2 3.22Å; L232-Y236 PolarHBondContact O-N 3.46Å; A233-Y236 PolarHBondContact O-N 3.15Å; Y236-K238 VanDerWaalsContact C-N 3.3Å; Y236-K238 PolarHBondContact O-N 3.46Å; Y236-E239 PolarHBondContact O-N 2.9Å; Y236-N240 WeakPolarHBondContact O-CB 3.44Å; Y236-N240 PolarHBondContact O-N 3.17Å; Y236-N240 PolarHBondContact O-OD1 3.44Å
237	A	98.8	Very high	98.8	Very high	9 Å²	9	69.3 Å²	69.3	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-44.8	177.5	0	0	0	0	0	111.5	A233 E234 Q235 G241 T242 L244	A233-A237 WeakPolarHBondContact O-CB 3.21Å; A233-A237 PolarHBondContact O-N 3.33Å; E234-A237 PolarHBondContact O-N 3.19Å; Q235-A237 VanDerWaalsContact C-N 3.29Å; Q235-A237 PolarHBondContact O-N 2.97Å; A237-G241 PolarHBondContact O-N 2.97Å; A237-T242 WeakPolarHBondContact CA-OG1 3.37Å; A237-T242 PolarHBondContact O-N 3.32Å; A237-T242 PolarHBondContact O-OG1 2.83Å; A237-L244 HydrophobicContact CB-CB 3.98Å
238	K	98.7	Very high	98.8	Very high	185 Å²	185	67.5 Å²	67.5	80%	0.804	35%	0.351	S	S	*	.	H	α-helix	trans	-64.4	-47.6	175.9	-173.9	-179.2	-179.9	-179.2	0	112.7	E234 Q235 Y236 N240 G241	E234-K238 PolarHBondContact O-N 3.32Å; Q235-K238 PolarHBondContact O-N 3.24Å; Y236-K238 VanDerWaalsContact C-N 3.3Å; Y236-K238 PolarHBondContact O-N 3.46Å; K238-N240 VanDerWaalsContact C-N 3.26Å; K238-N240 PolarHBondContact O-N 3.1Å; K238-G241 PolarHBondContact O-N 2.7Å
239	E	98.6	Very high	98.8	Very high	120 Å²	120	67.3 Å²	67.3	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-62	-34.5	-179.4	-73.4	173.2	-175.5	0	0	112.5	Q235 Y236	Q235-E239 HydrophobicContact CG-CG 4.44Å; Q235-E239 VanDerWaalsContact CG-OE1 3.29Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.27Å; Q235-E239 PolarHBondContact NE2-OE1 2.81Å; Q235-E239 WeakPolarHBondContact O-CG 3.42Å; Q235-E239 PolarHBondContact O-N 3.19Å; Y236-E239 PolarHBondContact O-N 2.9Å
240	N	98.6	Very high	98.8	Very high	71 Å²	71	68.1 Å²	68.1	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-98.9	-1.9	-176.9	-64.5	105.8	0	0	0	114.3	A209 Y236 K238 T242	A209-N240 HydrophobicContact CB-CB 4.3Å; A209-N240 WeakPolarHBondContact O-CB 3.37Å; A209-N240 PolarHBondContact O-OD1 3.22Å; Y236-N240 WeakPolarHBondContact O-CB 3.44Å; Y236-N240 PolarHBondContact O-N 3.17Å; Y236-N240 PolarHBondContact O-OD1 3.44Å; K238-N240 VanDerWaalsContact C-N 3.26Å; K238-N240 PolarHBondContact O-N 3.1Å; N240-T242 VanDerWaalsContact C-N 3.35Å; N240-T242 HydrophobicContact CB-CG2 4.29Å
241	G	98.6	Very high	98.8	Very high	69 Å²	69	71.1 Å²	71.1	71%	0.711	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	37.4	-178.5	0	0	0	0	0	113.2	A237 K238	A237-G241 PolarHBondContact O-N 2.97Å; K238-G241 PolarHBondContact O-N 2.7Å
242	T	98.9	Very high	98.8	Very high	18 Å²	18	68 Å²	68	11%	0.11	35%	0.351	C	S	.	.			trans	-110.4	161.4	179.8	55.8	0	0	0	0	111.1	A209 G212 M213 A237 N240	A209-T242 WeakPolarHBondContact CB-OG1 3.48Å; G212-T242 VanDerWaalsContact C-CG2 3.48Å; M213-T242 WeakPolarHBondContact O-CB 3.37Å; M213-T242 VanDerWaalsContact O-CG2 3.32Å; M213-T242 WeakPolarHBondContact O-CG2 3.46Å; A237-T242 WeakPolarHBondContact CA-OG1 3.37Å; A237-T242 PolarHBondContact O-N 3.32Å; A237-T242 PolarHBondContact O-OG1 2.83Å; N240-T242 VanDerWaalsContact C-N 3.35Å; N240-T242 HydrophobicContact CB-CG2 4.29Å
243	K	98.8	Very high	98.8	Very high	150 Å²	150	65.9 Å²	65.9	65%	0.652	34%	0.34	S	S	*	.			trans	-92.3	136.1	177.4	-61.5	179.9	-177.5	177.8	0	110.3	H214 L215	H214-K243 WeakPolarHBondContact CA-O 3.36Å; H214-K243 HydrophobicContact CB-CB 4.27Å; H214-K243 PolarHBondContact ND1-N 3.44Å; L215-K243 PolarHBondContact N-O 3.32Å
244	L	98.9	Very high	98.8	Very high	45 Å²	45	65.7 Å²	65.7	24%	0.236	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.9	166.8	178.9	63.1	0	0	0	108.1	L215 A233 E234 A237 L246	L215-L244 HydrophobicContact CB-CD1 3.92Å; L215-L244 HydrophobicContact CD2-CD1 3.84Å; L215-L244 HydrophobicContact CG-CD1 4.01Å; L215-L244 CarbonylContact O-C 3.53Å; L215-L244 VanDerWaalsContact O-CA 3.3Å; L215-L244 WeakPolarHBondContact O-CA 3.12Å; A233-L244 HydrophobicContact CB-CD2 3.83Å; E234-L244 HydrophobicContact CB-CD2 4.47Å; E234-L244 HydrophobicContact CG-CD2 3.8Å; A237-L244 HydrophobicContact CB-CB 3.98Å; L244-L246 HydrophobicContact CD1-CD2 4.23Å
245	L	98.9	Very high	98.8	Very high	55 Å²	55	66.6 Å²	66.6	29%	0.288	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126	174.1	172.2	65.7	0	0	0	108.5	L215 Q216 A217 E252	L215-L245 PolarHBondContact O-N 3.13Å; Q216-L245 CarbonylContact C-O 3.53Å; Q216-L245 WeakPolarHBondContact CA-O 3.42Å; Q216-L245 HydrophobicContact CB-CB 4.26Å; Q216-L245 HydrophobicContact CB-CD2 4.28Å; Q216-L245 HydrophobicContact CG-CB 4.12Å; Q216-L245 HydrophobicContact CG-CD2 4.21Å; A217-L245 PolarHBondContact N-O 3.35Å; L245-E252 HydrophobicContact CD2-CG 4.15Å
246	L	98.9	Very high	98.8	Very high	69 Å²	69	63.5 Å²	63.5	36%	0.361	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.5	168.8	-58.1	-176.5	0	0	0	108.1	A217 P225 T230 L244	A217-L246 HydrophobicContact CB-CD2 3.84Å; A217-L246 WeakPolarHBondContact O-CA 3.45Å; P225-L246 HydrophobicContact CG-CD1 4.4Å; T230-L246 HydrophobicContact CG2-CD1 3.48Å; T230-L246 VanDerWaalsContact CG2-CD1 3.48Å; L244-L246 HydrophobicContact CD1-CD2 4.23Å
247	T	98.9	Very high	98.8	Very high	19 Å²	19	62.2 Å²	62.2	12%	0.117	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	173.1	-177	-175.6	0	0	0	0	111	A217 A218 T219 D249 E252 A253	A217-T247 PolarHBondContact O-N 2.78Å; A218-T247 VanDerWaalsContact CA-O 3.3Å; A218-T247 WeakPolarHBondContact CA-O 3.4Å; A218-T247 HydrophobicContact CB-CG2 4.07Å; T219-T247 PolarHBondContact N-O 2.95Å; T219-T247 VanDerWaalsContact N-O 3.07Å; T247-D249 WeakPolarHBondContact CG2-O 3.37Å; T247-D249 PolarHBondContact OG1-N 3.19Å; T247-E252 WeakPolarHBondContact CB-OE2 3.46Å; T247-E252 HydrophobicContact CG2-CB 4.22Å; T247-E252 HydrophobicContact CG2-CG 4.47Å; T247-E252 PolarHBondContact OG1-OE2 2.96Å; T247-A253 HydrophobicContact CG2-CB 3.96Å
248	N	98.8	Very high	98.8	Very high	67 Å²	67	62.9 Å²	62.9	36%	0.358	34%	0.335	S	S	.	.	S	Bend	trans	-111.6	8.9	170.8	-60.4	-92.6	0	0	0	111.9	T219 K221 Y284	T219-N248 WeakPolarHBondContact O-CA 3.47Å; T219-N248 PolarHBondContact O-OD1 3.49Å; K221-N248 WeakPolarHBondContact CA-OD1 3.43Å; K221-N248 HydrophobicContact CG-CB 4.44Å; K221-N248 WeakPolarHBondContact CG-OD1 3.32Å; K221-N248 PolarHBondContact N-OD1 3.17Å; N248-Y284 VanDerWaalsContact C-OH 3.23Å; N248-Y284 WeakPolarHBondContact CA-OH 3.37Å; N248-Y284 PolarHBondContact O-OH 2.85Å
249	D	98.8	Very high	98.8	Very high	76 Å²	76	54 Å²	54	41%	0.406	30%	0.296	S	S	.	.			trans	-109	111.5	178	-172.2	-31.7	0	0	0	110.5	T247 L251 E252 A253	T247-D249 WeakPolarHBondContact CG2-O 3.37Å; T247-D249 PolarHBondContact OG1-N 3.19Å; D249-L251 VanDerWaalsContact C-N 3.26Å; D249-L251 PolarHBondContact O-N 3.27Å; D249-L251 WeakPolarHBondContact OD1-CB 3.28Å; D249-L251 PolarHBondContact OD1-N 2.9Å; D249-E252 HydrophobicContact CB-CB 3.8Å; D249-E252 PolarHBondContact O-N 3.07Å; D249-E252 PolarHBondContact OD1-N 3.27Å; D249-A253 PolarHBondContact O-N 3.34Å; D249-A253 VanDerWaalsContact O-N 3.12Å
250	P	98.8	Very high	98.8	Very high	17 Å²	17	48.3 Å²	48.3	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-35.7	176.8	-29.6	37.8	0	0	0	114.8	I194 A254 Y284	I194-P250 HydrophobicContact CD1-CB 4.37Å; I194-P250 WeakPolarHBondContact CD1-O 3.36Å; I194-P250 HydrophobicContact CG2-CB 3.84Å; I194-P250 HydrophobicContact CG2-CG 4.25Å; P250-A254 WeakPolarHBondContact O-CB 3.37Å; P250-A254 PolarHBondContact O-N 3.27Å; P250-Y284 HydrophobicContact CG-CD1 3.86Å; P250-Y284 HydrophobicContact CG-CD2 3.94Å; P250-Y284 HydrophobicContact CG-CE1 3.87Å; P250-Y284 HydrophobicContact CG-CE2 3.93Å; P250-Y284 HydrophobicContact CG-CG 3.89Å
251	L	98.8	Very high	98.8	Very high	82 Å²	82	45.2 Å²	45.2	43%	0.429	25%	0.253	S	S	.	.	H	α-helix	trans	-77.5	-32.1	-178.9	-62.2	-178.3	0	0	0	111.7	D249 A254 H255 V293	D249-L251 VanDerWaalsContact C-N 3.26Å; D249-L251 PolarHBondContact O-N 3.27Å; D249-L251 WeakPolarHBondContact OD1-CB 3.28Å; D249-L251 PolarHBondContact OD1-N 2.9Å; L251-A254 PolarHBondContact O-N 3.24Å; L251-H255 WeakPolarHBondContact O-CB 3.38Å; L251-H255 PolarHBondContact O-N 2.83Å; L251-V293 HydrophobicContact CB-CG2 4.42Å; L251-V293 HydrophobicContact CD2-CG2 4.02Å
252	E	98.9	Very high	98.8	Very high	91 Å²	91	42 Å²	42	43%	0.425	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-45	171.9	-171.1	-175.4	-164.5	0	0	110.7	Q216 L245 T247 D249 A254 H255	Q216-E252 PolarHBondContact OE1-O 3.24Å; L245-E252 HydrophobicContact CD2-CG 4.15Å; T247-E252 WeakPolarHBondContact CB-OE2 3.46Å; T247-E252 HydrophobicContact CG2-CB 4.22Å; T247-E252 HydrophobicContact CG2-CG 4.47Å; T247-E252 PolarHBondContact OG1-OE2 2.96Å; D249-E252 HydrophobicContact CB-CB 3.8Å; D249-E252 PolarHBondContact O-N 3.07Å; D249-E252 PolarHBondContact OD1-N 3.27Å; E252-A254 VanDerWaalsContact C-N 3.32Å; E252-A254 PolarHBondContact O-N 2.77Å; E252-H255 WeakPolarHBondContact O-CB 3.32Å; E252-H255 PolarHBondContact O-N 3.12Å
253	A	98.8	Very high	98.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.2	-29.9	176.4	0	0	0	0	0	113.4	S192 Q216 A218 T247 D249 H255	S192-A253 WeakPolarHBondContact CB-O 3.37Å; S192-A253 PolarHBondContact OG-O 3.22Å; Q216-A253 HydrophobicContact CB-CB 4.33Å; Q216-A253 WeakPolarHBondContact CB-O 3.46Å; Q216-A253 PolarHBondContact OE1-O 3Å; A218-A253 HydrophobicContact CB-CB 3.55Å; T247-A253 HydrophobicContact CG2-CB 3.96Å; D249-A253 PolarHBondContact O-N 3.34Å; D249-A253 VanDerWaalsContact O-N 3.12Å; A253-H255 VanDerWaalsContact C-N 3.33Å
254	A	98.9	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-75.6	-21.9	175.4	0	0	0	0	0	113	I194 P250 L251 E252 G256 G257 L260 T290 V293 A294	I194-A254 HydrophobicContact CD1-CB 4.17Å; P250-A254 WeakPolarHBondContact O-CB 3.37Å; P250-A254 PolarHBondContact O-N 3.27Å; L251-A254 PolarHBondContact O-N 3.24Å; E252-A254 VanDerWaalsContact C-N 3.32Å; E252-A254 PolarHBondContact O-N 2.77Å; A254-G256 PolarHBondContact O-N 2.94Å; A254-G256 VanDerWaalsContact O-N 3.08Å; A254-G257 PolarHBondContact O-N 3.34Å; A254-L260 HydrophobicContact CB-CD2 3.93Å; A254-T290 HydrophobicContact CB-CG2 3.74Å; A254-V293 HydrophobicContact CB-CG2 3.64Å; A254-A294 VanDerWaalsContact O-CA 3.3Å; A254-A294 WeakPolarHBondContact O-CA 3.3Å
255	H	98.8	Very high	98.2	Very high	128 Å²	128	33.7 Å²	33.7	59%	0.593	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	112.3	-167	180	-83.6	0	0	0	112.7	Q216 L251 E252 A253 G257 V293	Q216-H255 PolarHBondContact OE1-O 3.37Å; L251-H255 WeakPolarHBondContact O-CB 3.38Å; L251-H255 PolarHBondContact O-N 2.83Å; E252-H255 WeakPolarHBondContact O-CB 3.32Å; E252-H255 PolarHBondContact O-N 3.12Å; A253-H255 VanDerWaalsContact C-N 3.33Å; H255-G257 PolarHBondContact O-N 3.16Å; H255-V293 WeakPolarHBondContact CA-O 3.49Å
256	G	98.8	Very high	97.5	Very high	35 Å²	35	31.8 Å²	31.8	36%	0.361	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	12.2	-177.7	0	0	0	0	0	114.7	A254 V293	A254-G256 PolarHBondContact O-N 2.94Å; A254-G256 VanDerWaalsContact O-N 3.08Å; G256-V293 PolarHBondContact N-O 3.13Å
257	G	98.8	Very high	96.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.			trans	-67.6	138.5	174.4	0	0	0	0	0	112.6	S192 A254 H255 A295	S192-G257 VanDerWaalsContact OG-CA 3.3Å; S192-G257 WeakPolarHBondContact OG-CA 3.43Å; A254-G257 PolarHBondContact O-N 3.34Å; H255-G257 PolarHBondContact O-N 3.16Å; G257-A295 WeakPolarHBondContact O-CB 3.23Å; G257-A295 PolarHBondContact O-N 3.21Å
258	N	98.9	Very high	95.4	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	17%	0.174	C	C	.	.	S	Bend	trans	-84.4	-28.7	172.8	-55	99	0	0	0	111.2	Y183 L189 T190 D297 W298 T299	Y183-N258 PolarHBondContact OH-O 2.85Å; L189-N258 HydrophobicContact CD2-CB 3.87Å; T190-N258 PolarHBondContact N-OD1 3.25Å; T190-N258 PolarHBondContact O-N 2.92Å; N258-D297 PolarHBondContact ND2-OD1 2.77Å; N258-D297 PolarHBondContact ND2-OD2 3.22Å; N258-W298 CarbonylContact O-C 3.53Å; N258-W298 WeakPolarHBondContact O-CA 3.36Å; N258-T299 PolarHBondContact O-N 2.83Å; N258-T299 PolarHBondContact O-OG1 2.84Å
259	V	98.9	Very high	94.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	111.2	-176.1	-168.9	0	0	0	0	109.4	L179 Y183 T190 L191 S192 I261 T299 L301	L179-V259 HydrophobicContact CD1-CG1 4.31Å; L179-V259 HydrophobicContact CD1-CG2 3.98Å; L179-V259 HydrophobicContact CD2-CB 4.33Å; L179-V259 HydrophobicContact CD2-CG1 3.8Å; L179-V259 HydrophobicContact CD2-CG2 3.52Å; L179-V259 HydrophobicContact CG-CG2 4.39Å; Y183-V259 HydrophobicContact CE2-CG2 4.1Å; T190-V259 PolarHBondContact O-N 2.84Å; T190-V259 VanDerWaalsContact O-N 3.15Å; L191-V259 HydrophobicContact CD2-CB 3.77Å; L191-V259 HydrophobicContact CD2-CG1 4.44Å; L191-V259 HydrophobicContact CD2-CG2 3.71Å; S192-V259 WeakPolarHBondContact CB-O 3.29Å; S192-V259 PolarHBondContact N-O 3.02Å; V259-I261 HydrophobicContact CB-CG1 4.43Å; V259-I261 HydrophobicContact CG1-CD1 4.07Å; V259-I261 HydrophobicContact CG1-CG1 3.72Å; V259-T299 WeakPolarHBondContact CA-O 3.17Å; V259-L301 HydrophobicContact CG1-CD1 3.81Å; V259-L301 HydrophobicContact CG1-CG 3.8Å
260	L	98.9	Very high	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.4	169.9	-62.1	-178	0	0	0	109	A254 V286 T290 A291 A294 W298 T299 F300 L301	A254-L260 HydrophobicContact CB-CD2 3.93Å; L260-V286 HydrophobicContact CD1-CG1 4.22Å; L260-T290 HydrophobicContact CD1-CG2 4.37Å; L260-A291 HydrophobicContact CD1-CB 4.13Å; L260-A294 HydrophobicContact CD1-CB 4.36Å; L260-A294 HydrophobicContact CD2-CB 4.19Å; L260-A294 HydrophobicContact CG-CB 4.36Å; L260-W298 HydrophobicContact CD1-CE3 4.21Å; L260-T299 PolarHBondContact N-O 3.01Å; L260-F300 HydrophobicContact CB-CD2 4.04Å; L260-F300 CarbonylContact O-C 3.58Å; L260-F300 WeakPolarHBondContact O-CA 3.48Å; L260-F300 WeakPolarHBondContact O-CD2 3.25Å; L260-L301 PolarHBondContact O-N 2.93Å
261	I	98.9	Very high	92.3	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.5	-176.9	-47.6	178.7	0	0	0	108.5	L191 S192 W193 I194 I204 V259 L301	L191-I261 HydrophobicContact CB-CD1 4.18Å; L191-I261 HydrophobicContact CD2-CD1 4.43Å; S192-I261 PolarHBondContact O-N 2.79Å; W193-I261 WeakPolarHBondContact CA-O 3.29Å; W193-I261 HydrophobicContact CE3-CB 4.04Å; W193-I261 HydrophobicContact CE3-CG2 3.64Å; W193-I261 HydrophobicContact CZ3-CG2 3.73Å; I194-I261 PolarHBondContact N-O 3.4Å; I204-I261 HydrophobicContact CD1-CD1 4.04Å; I204-I261 HydrophobicContact CD1-CG2 4.41Å; V259-I261 HydrophobicContact CB-CG1 4.43Å; V259-I261 HydrophobicContact CG1-CD1 4.07Å; V259-I261 HydrophobicContact CG1-CG1 3.72Å; I261-L301 HydrophobicContact CD1-CD1 4.38Å; I261-L301 HydrophobicContact CG1-CB 4.25Å; I261-L301 HydrophobicContact CG1-CD1 4.47Å; I261-L301 HydrophobicContact CG2-CB 4.33Å
262	T	98.8	Very high	91.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	172.5	170.1	-163.4	0	0	0	0	110.4	I194 V286 F300 L301 E310 V311	I194-T262 VanDerWaalsContact O-CB 3.22Å; I194-T262 WeakPolarHBondContact O-CB 3.48Å; I194-T262 PolarHBondContact O-OG1 3.07Å; T262-V286 HydrophobicContact CG2-CG2 3.99Å; T262-F300 HydrophobicContact CG2-CE2 3.76Å; T262-F300 HydrophobicContact CG2-CZ 3.7Å; T262-L301 PolarHBondContact N-O 2.93Å; T262-E310 HydrophobicContact CG2-CB 4.13Å; T262-E310 HydrophobicContact CG2-CG 4.29Å; T262-V311 HydrophobicContact CG2-CB 4.28Å
263	D	98.1	Very high	90.9	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.059	22%	0.219	C	C	.	.			trans	-150.4	168.5	177.5	-176.2	21.3	0	0	0	108.6	W193 N198 W265 C303 E310	W193-D263 HydrophobicContact CH2-CB 3.63Å; W193-D263 HydrophobicContact CZ2-CB 4.36Å; W193-D263 HydrophobicContact CZ3-CB 4.4Å; N198-D263 PolarHBondContact ND2-OD2 2.94Å; D263-W265 PolarHBondContact O-N 3.42Å; D263-C303 PolarHBondContact OD1-SG 3.16Å; D263-E310 WeakPolarHBondContact O-CB 3.44Å
264	T	94.3	Very high	90.3	Very high	12 Å²	12	46 Å²	46	7%	0.074	24%	0.241	C	C	.	.			trans	-57.2	127.6	176.2	-161.9	0	0	0	0	110.9	I266 K307	T264-I266 PolarHBondContact O-N 3.49Å; T264-K307 WeakPolarHBondContact OG1-CD 3.12Å; T264-K307 VanDerWaalsContact OG1-CE 3.29Å; T264-K307 WeakPolarHBondContact OG1-CE 3.44Å; T264-K307 PolarHBondContact OG1-NZ 2.97Å
265	W	90.1	Very high	89.8	Confident	16 Å²	16	54.3 Å²	54.3	6%	0.061	28%	0.278	C	S	.	.	S	Bend	trans	-69.7	-16.6	179.8	-52.2	-20.5	0	0	0	113.1	D263 R277 L278 F281 Q285 E309 E310	D263-W265 PolarHBondContact O-N 3.42Å; W265-R277 WeakPolarHBondContact O-CD 3.23Å; W265-R277 PolarHBondContact O-NH1 3.29Å; W265-L278 HydrophobicContact CE3-CD2 4.47Å; W265-F281 HydrophobicContact CB-CD1 3.65Å; W265-F281 HydrophobicContact CB-CD2 4.46Å; W265-F281 HydrophobicContact CB-CE1 3.76Å; W265-F281 HydrophobicContact CB-CG 4.02Å; W265-F281 HydrophobicContact CB-CZ 4.24Å; W265-F281 AromaticContact CD1-CD1 3.47Å; W265-F281 VanDerWaalsContact CD1-CD1 3.47Å; W265-F281 AromaticContact CD1-CE1 3.76Å; W265-F281 HydrophobicContact CD2-CB 3.55Å; W265-F281 AromaticContact CD2-CD1 3.48Å; W265-F281 HydrophobicContact CD2-CD1 3.48Å; W265-F281 VanDerWaalsContact CD2-CD1 3.48Å; W265-F281 HydrophobicContact CD2-CE1 4.4Å; W265-F281 AromaticContact CD2-CG 3.76Å; W265-F281 HydrophobicContact CD2-CG 3.76Å; W265-F281 AromaticContact CE2-CD1 3.82Å; W265-F281 HydrophobicContact CE3-CB 3.28Å; W265-F281 HydrophobicContact CE3-CD1 4.14Å; W265-F281 AromaticContact CE3-CG 3.91Å; W265-F281 HydrophobicContact CE3-CG 3.91Å; W265-F281 HydrophobicContact CG-CB 4.18Å; W265-F281 AromaticContact CG-CD1 3.24Å; W265-F281 HydrophobicContact CG-CD1 3.24Å; W265-F281 AromaticContact CG-CE1 3.7Å; W265-F281 HydrophobicContact CG-CE1 3.7Å; W265-F281 AromaticContact CG-CG 3.83Å; W265-F281 HydrophobicContact CG-CG 3.83Å; W265-F281 HydrophobicContact CH2-CB 4.03Å; W265-F281 WeakPolarHBondContact CH2-O 3.32Å; W265-F281 HydrophobicContact CZ2-CB 4.25Å; W265-F281 HydrophobicContact CZ3-CB 3.54Å; W265-F281 AromaticContact NE1-CD1 3.81Å; W265-Q285 HydrophobicContact CH2-CB 4.35Å; W265-Q285 HydrophobicContact CZ2-CB 4.37Å; W265-E309 HydrophobicContact CE3-CB 3.98Å; W265-E309 HydrophobicContact CH2-CB 4.3Å; W265-E309 WeakPolarHBondContact CH2-O 3.37Å; W265-E309 WeakPolarHBondContact CZ2-O 3.44Å; W265-E309 HydrophobicContact CZ3-CB 3.86Å; W265-E310 HydrophobicContact CZ2-CB 4.43Å
266	I	85.6	Confident	89.5	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.077	28%	0.281	C	S	.	.	S	Bend	trans	-120	92.7	-177.9	-55.4	155.7	0	0	0	107	T264 K274 R277 L278 K307	T264-I266 PolarHBondContact O-N 3.49Å; I266-K274 HydrophobicContact CD1-CB 4.04Å; I266-K274 HydrophobicContact CD1-CD 4.1Å; I266-K274 HydrophobicContact CD1-CG 3.62Å; I266-R277 HydrophobicContact CG1-CB 4.2Å; I266-L278 HydrophobicContact CD1-CD2 4.42Å; I266-L278 HydrophobicContact CD1-CG 4.42Å; I266-K307 PolarHBondContact O-NZ 3.47Å
267	S	78.6	Confident	89.2	Confident	23 Å²	23	54.5 Å²	54.5	16%	0.161	27%	0.266	C	S	.	.			trans	-71	161.7	179.1	-67	0	0	0	0	111.5	G269 Q270	S267-G269 PolarHBondContact O-N 3.37Å; S267-Q270 VanDerWaalsContact CB-OE1 3.32Å; S267-Q270 VanDerWaalsContact N-OE1 3.16Å; S267-Q270 PolarHBondContact O-N 3Å
268	M	73.4	Confident	88.9	Confident	76 Å²	76	57.3 Å²	57.3	37%	0.374	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	120.7	174.9	-69.6	-174.5	-66.2	0	0	110.6	K88	K88-M268 HydrophobicContact CB-CE 3.93Å; K88-M268 HydrophobicContact CB-SD 4.39Å; K88-M268 HydrophobicContact CD-CE 4.22Å
269	G	73.1	Confident	88.7	Confident	52 Å²	52	62.7 Å²	62.7	54%	0.536	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	0.2	-174	0	0	0	0	0	114.7	S267 E271	S267-G269 PolarHBondContact O-N 3.37Å; G269-E271 WeakPolarHBondContact CA-OE2 3.44Å; G269-E271 PolarHBondContact N-OE1 3.06Å; G269-E271 VanDerWaalsContact N-OE1 3.16Å; G269-E271 PolarHBondContact N-OE2 2.97Å
270	Q	78.7	Confident	88.6	Confident	52 Å²	52	64.5 Å²	64.5	24%	0.243	32%	0.321	C	S	.	.			trans	-114.8	20.5	178	-64.7	173.6	-25.4	0	0	112.6	S267 E272 E273	S267-Q270 VanDerWaalsContact CB-OE1 3.32Å; S267-Q270 VanDerWaalsContact N-OE1 3.16Å; S267-Q270 PolarHBondContact O-N 3Å; Q270-E272 PolarHBondContact O-N 2.95Å; Q270-E273 PolarHBondContact O-N 3.47Å
271	E	80.1	Confident	88.5	Confident	119 Å²	119	64.5 Å²	64.5	56%	0.556	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-62.9	-31.6	-173.3	-67.6	77.3	-172.4	0	0	112.6	G269 E273 K274	G269-E271 WeakPolarHBondContact CA-OE2 3.44Å; G269-E271 PolarHBondContact N-OE1 3.06Å; G269-E271 VanDerWaalsContact N-OE1 3.16Å; G269-E271 PolarHBondContact N-OE2 2.97Å; E271-E273 PolarHBondContact O-N 3.04Å; E271-K274 VanDerWaalsContact O-CB 3.23Å; E271-K274 WeakPolarHBondContact O-CB 3.21Å; E271-K274 PolarHBondContact O-N 3.22Å
272	E	83.3	Confident	88.4	Confident	205 Å²	205	71.1 Å²	71.1	96%	0.958	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-67.1	-24.9	176.7	-60.4	-171.1	169.4	0	0	112.8	Q270 K274	Q270-E272 PolarHBondContact O-N 2.95Å; E272-K274 VanDerWaalsContact C-N 3.34Å
273	E	85.1	Confident	88.3	Confident	82 Å²	82	74.1 Å²	74.1	38%	0.383	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-87.5	-3.5	179.1	-62.6	-177.8	178.1	0	0	113.3	Q270 E271 K275 K276 R277	Q270-E273 PolarHBondContact O-N 3.47Å; E271-E273 PolarHBondContact O-N 3.04Å; E273-K275 VanDerWaalsContact C-N 3.28Å; E273-K275 PolarHBondContact O-N 3.18Å; E273-K275 VanDerWaalsContact O-N 3.07Å; E273-K276 PolarHBondContact O-N 2.96Å; E273-R277 HydrophobicContact CB-CG 4.24Å; E273-R277 PolarHBondContact O-N 2.92Å; E273-R277 IonicContact OE2-CZ 3.18Å; E273-R277 IonicContact OE2-NE 2.86Å; E273-R277 PolarHBondContact OE2-NE 3.21Å; E273-R277 IonicContact OE2-NH2 3.16Å; E273-R277 PolarHBondContact OE2-NH2 3.45Å
274	K	86.6	Confident	88.3	Confident	109 Å²	109	74.3 Å²	74.3	47%	0.474	38%	0.382	S	S	.	.	H	α-helix	trans	-44.9	-49.9	-171.7	171.2	163.9	-171.3	-175.7	0	113.2	I266 E271 E272 K276 R277 L278	I266-K274 HydrophobicContact CD1-CB 4.04Å; I266-K274 HydrophobicContact CD1-CD 4.1Å; I266-K274 HydrophobicContact CD1-CG 3.62Å; E271-K274 VanDerWaalsContact O-CB 3.23Å; E271-K274 WeakPolarHBondContact O-CB 3.21Å; E271-K274 PolarHBondContact O-N 3.22Å; E272-K274 VanDerWaalsContact C-N 3.34Å; K274-K276 PolarHBondContact O-N 3.02Å; K274-R277 PolarHBondContact O-N 3.46Å; K274-L278 HydrophobicContact CG-CD1 3.95Å; K274-L278 HydrophobicContact CG-CG 4.44Å; K274-L278 VanDerWaalsContact O-CG 3.27Å; K274-L278 WeakPolarHBondContact O-CG 3.43Å; K274-L278 PolarHBondContact O-N 3.39Å
275	K	88	Confident	88.6	Confident	176 Å²	176	77.4 Å²	77.4	77%	0.765	40%	0.396	S	S	*	.	H	α-helix	trans	-64.2	-42	-177.5	-172.1	179	178.8	-178	0	112.5	E273 Q279	E273-K275 VanDerWaalsContact C-N 3.28Å; E273-K275 PolarHBondContact O-N 3.18Å; E273-K275 VanDerWaalsContact O-N 3.07Å; K275-Q279 PolarHBondContact O-N 3.21Å
276	K	92.3	Very high	89	Confident	154 Å²	154	76.6 Å²	76.6	67%	0.67	39%	0.393	S	S	*	.	H	α-helix	trans	-67.4	-42	179.2	-67	-178.6	-179.3	175.5	0	110.9	E273 K274 Q279 A280	E273-K276 PolarHBondContact O-N 2.96Å; K274-K276 PolarHBondContact O-N 3.02Å; K276-Q279 PolarHBondContact O-N 2.77Å; K276-A280 PolarHBondContact O-N 2.83Å
277	R	93.3	Very high	89.6	Confident	12 Å²	12	77.1 Å²	77.1	5%	0.045	40%	0.397	C	S	.	.	H	α-helix	trans	-63.5	-47.7	176.8	-75.1	173.4	170.2	-86.6	-8.9	111.8	D196 Y223 W265 I266 E273 K274 Q279 A280 F281	D196-R277 VanDerWaalsContact CG-NH1 3.28Å; D196-R277 IonicContact OD1-NH1 3.34Å; D196-R277 IonicContact OD2-CZ 2.68Å; D196-R277 IonicContact OD2-NH1 2.67Å; D196-R277 PolarHBondContact OD2-NH1 2.84Å; D196-R277 IonicContact OD2-NH2 2.76Å; Y223-R277 HydrophobicContact CE1-CG 3.71Å; Y223-R277 VanDerWaalsContact CE1-CZ 3.49Å; W265-R277 WeakPolarHBondContact O-CD 3.23Å; W265-R277 PolarHBondContact O-NH1 3.29Å; I266-R277 HydrophobicContact CG1-CB 4.2Å; E273-R277 HydrophobicContact CB-CG 4.24Å; E273-R277 PolarHBondContact O-N 2.92Å; E273-R277 IonicContact OE2-CZ 3.18Å; E273-R277 IonicContact OE2-NE 2.86Å; E273-R277 PolarHBondContact OE2-NE 3.21Å; E273-R277 IonicContact OE2-NH2 3.16Å; E273-R277 PolarHBondContact OE2-NH2 3.45Å; K274-R277 PolarHBondContact O-N 3.46Å; R277-Q279 PolarHBondContact O-N 3.2Å; R277-Q279 VanDerWaalsContact O-N 3.12Å; R277-A280 PolarHBondContact O-N 3.37Å; R277-A280 VanDerWaalsContact O-N 3.11Å; R277-F281 HydrophobicContact CB-CD2 4.26Å; R277-F281 HydrophobicContact CB-CE2 4.33Å; R277-F281 HydrophobicContact CG-CE2 4.26Å; R277-F281 WeakPolarHBondContact O-CB 3.46Å; R277-F281 WeakPolarHBondContact O-CD2 3.44Å; R277-F281 PolarHBondContact O-N 2.87Å
278	L	92.1	Very high	90.6	Very high	59 Å²	59	78.7 Å²	78.7	31%	0.309	40%	0.403	S	S	.	.	H	α-helix	trans	-57.8	-31.3	176.7	-71.2	174.2	0	0	0	113.4	W265 I266 K274 Q282 E309	W265-L278 HydrophobicContact CE3-CD2 4.47Å; I266-L278 HydrophobicContact CD1-CD2 4.42Å; I266-L278 HydrophobicContact CD1-CG 4.42Å; K274-L278 HydrophobicContact CG-CD1 3.95Å; K274-L278 HydrophobicContact CG-CG 4.44Å; K274-L278 VanDerWaalsContact O-CG 3.27Å; K274-L278 WeakPolarHBondContact O-CG 3.43Å; K274-L278 PolarHBondContact O-N 3.39Å; L278-Q282 WeakPolarHBondContact O-CG 3.18Å; L278-E309 HydrophobicContact CD2-CG 3.78Å
279	Q	94.8	Very high	91.8	Very high	136 Å²	136	83.2 Å²	83.2	64%	0.636	42%	0.42	S	S	*	.	H	α-helix	trans	-76.6	-45.6	174.7	-173.4	177.6	5.9	0	0	112.2	K275 K276 R277 F281 Q282	K275-Q279 PolarHBondContact O-N 3.21Å; K276-Q279 PolarHBondContact O-N 2.77Å; R277-Q279 PolarHBondContact O-N 3.2Å; R277-Q279 VanDerWaalsContact O-N 3.12Å; Q279-F281 VanDerWaalsContact C-N 3.32Å; Q279-F281 PolarHBondContact O-N 2.85Å; Q279-Q282 WeakPolarHBondContact O-CG 3.46Å; Q279-Q282 PolarHBondContact O-N 3.26Å
280	A	96.3	Very high	93	Very high	38 Å²	38	81.1 Å²	81.1	31%	0.314	40%	0.397	S	S	.	.	H	α-helix	trans	-68	-31	-178.1	0	0	0	0	0	113.2	P220 Y223 K276 R277 Q282	P220-A280 HydrophobicContact CB-CB 4.46Å; Y223-A280 HydrophobicContact CD2-CB 4.34Å; Y223-A280 HydrophobicContact CE2-CB 3.56Å; K276-A280 PolarHBondContact O-N 2.83Å; R277-A280 PolarHBondContact O-N 3.37Å; R277-A280 VanDerWaalsContact O-N 3.11Å; A280-Q282 VanDerWaalsContact C-N 3.33Å
281	F	97.4	Very high	93.9	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	10.1	-177.4	-73.6	-111.8	0	0	0	113.2	D196 P220 Y223 W265 R277 Q279 G283 Y284	D196-F281 HydrophobicContact CB-CE1 3.99Å; D196-F281 HydrophobicContact CB-CZ 3.82Å; P220-F281 HydrophobicContact CG-CD1 3.77Å; P220-F281 HydrophobicContact CG-CD2 3.78Å; P220-F281 HydrophobicContact CG-CE1 3.84Å; P220-F281 HydrophobicContact CG-CE2 3.86Å; P220-F281 HydrophobicContact CG-CG 3.75Å; P220-F281 HydrophobicContact CG-CZ 3.89Å; Y223-F281 AromaticContact CD1-CE2 3.69Å; Y223-F281 HydrophobicContact CD1-CE2 3.69Å; Y223-F281 AromaticContact CD1-CZ 3.98Å; Y223-F281 HydrophobicContact CD1-CZ 3.98Å; Y223-F281 HydrophobicContact CD2-CE2 4.1Å; Y223-F281 AromaticContact CE1-CE2 3.84Å; Y223-F281 HydrophobicContact CE1-CE2 3.84Å; Y223-F281 HydrophobicContact CE2-CE2 4.22Å; Y223-F281 AromaticContact CG-CE2 3.82Å; Y223-F281 HydrophobicContact CG-CE2 3.82Å; Y223-F281 HydrophobicContact CG-CZ 4.09Å; W265-F281 HydrophobicContact CB-CD1 3.65Å; W265-F281 HydrophobicContact CB-CD2 4.46Å; W265-F281 HydrophobicContact CB-CE1 3.76Å; W265-F281 HydrophobicContact CB-CG 4.02Å; W265-F281 HydrophobicContact CB-CZ 4.24Å; W265-F281 AromaticContact CD1-CD1 3.47Å; W265-F281 VanDerWaalsContact CD1-CD1 3.47Å; W265-F281 AromaticContact CD1-CE1 3.76Å; W265-F281 HydrophobicContact CD2-CB 3.55Å; W265-F281 AromaticContact CD2-CD1 3.48Å; W265-F281 HydrophobicContact CD2-CD1 3.48Å; W265-F281 VanDerWaalsContact CD2-CD1 3.48Å; W265-F281 HydrophobicContact CD2-CE1 4.4Å; W265-F281 AromaticContact CD2-CG 3.76Å; W265-F281 HydrophobicContact CD2-CG 3.76Å; W265-F281 AromaticContact CE2-CD1 3.82Å; W265-F281 HydrophobicContact CE3-CB 3.28Å; W265-F281 HydrophobicContact CE3-CD1 4.14Å; W265-F281 AromaticContact CE3-CG 3.91Å; W265-F281 HydrophobicContact CE3-CG 3.91Å; W265-F281 HydrophobicContact CG-CB 4.18Å; W265-F281 AromaticContact CG-CD1 3.24Å; W265-F281 HydrophobicContact CG-CD1 3.24Å; W265-F281 AromaticContact CG-CE1 3.7Å; W265-F281 HydrophobicContact CG-CE1 3.7Å; W265-F281 AromaticContact CG-CG 3.83Å; W265-F281 HydrophobicContact CG-CG 3.83Å; W265-F281 HydrophobicContact CH2-CB 4.03Å; W265-F281 WeakPolarHBondContact CH2-O 3.32Å; W265-F281 HydrophobicContact CZ2-CB 4.25Å; W265-F281 HydrophobicContact CZ3-CB 3.54Å; W265-F281 AromaticContact NE1-CD1 3.81Å; R277-F281 HydrophobicContact CB-CD2 4.26Å; R277-F281 HydrophobicContact CB-CE2 4.33Å; R277-F281 HydrophobicContact CG-CE2 4.26Å; R277-F281 WeakPolarHBondContact O-CB 3.46Å; R277-F281 WeakPolarHBondContact O-CD2 3.44Å; R277-F281 PolarHBondContact O-N 2.87Å; Q279-F281 VanDerWaalsContact C-N 3.32Å; Q279-F281 PolarHBondContact O-N 2.85Å; F281-G283 PolarHBondContact O-N 2.84Å; F281-Y284 WeakPolarHBondContact O-CB 3.24Å; F281-Y284 PolarHBondContact O-N 2.67Å
282	Q	96.4	Very high	94.8	Very high	146 Å²	146	82 Å²	82	68%	0.682	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	127.1	172.7	-70.6	179.1	-13.7	0	0	110.3	L278 Q279 A280	L278-Q282 WeakPolarHBondContact O-CG 3.18Å; Q279-Q282 WeakPolarHBondContact O-CG 3.46Å; Q279-Q282 PolarHBondContact O-N 3.26Å; A280-Q282 VanDerWaalsContact C-N 3.33Å
283	G	97.4	Very high	95.6	Very high	64 Å²	64	74.7 Å²	74.7	66%	0.66	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-4.3	-175.9	0	0	0	0	0	115.2	F281	F281-G283 PolarHBondContact O-N 2.84Å
284	Y	98.6	Very high	96.2	Very high	14 Å²	14	71.4 Å²	71.4	6%	0.055	36%	0.355	C	S	.	.			trans	-89.8	-3.8	178.2	-78.4	-108.8	0	0	0	114	I194 A218 T219 P220 N248 P250 F281 V286	I194-Y284 HydrophobicContact CG2-CD1 3.82Å; I194-Y284 HydrophobicContact CG2-CG 4.44Å; I194-Y284 WeakPolarHBondContact CG2-O 3.44Å; A218-Y284 HydrophobicContact CB-CE1 4.11Å; T219-Y284 PolarHBondContact O-OH 3.22Å; T219-Y284 VanDerWaalsContact O-OH 3.05Å; P220-Y284 WeakPolarHBondContact CA-OH 3.15Å; P220-Y284 HydrophobicContact CB-CE2 4.25Å; P220-Y284 VanDerWaalsContact CD-CE1 3.42Å; P220-Y284 HydrophobicContact CG-CD1 4.07Å; P220-Y284 HydrophobicContact CG-CD2 4.04Å; P220-Y284 HydrophobicContact CG-CE1 3.8Å; P220-Y284 HydrophobicContact CG-CE2 3.78Å; P220-Y284 HydrophobicContact CG-CG 4.2Å; N248-Y284 VanDerWaalsContact C-OH 3.23Å; N248-Y284 WeakPolarHBondContact CA-OH 3.37Å; N248-Y284 PolarHBondContact O-OH 2.85Å; P250-Y284 HydrophobicContact CG-CD1 3.86Å; P250-Y284 HydrophobicContact CG-CD2 3.94Å; P250-Y284 HydrophobicContact CG-CE1 3.87Å; P250-Y284 HydrophobicContact CG-CE2 3.93Å; P250-Y284 HydrophobicContact CG-CG 3.89Å; F281-Y284 WeakPolarHBondContact O-CB 3.24Å; F281-Y284 PolarHBondContact O-N 2.67Å; Y284-V286 PolarHBondContact O-N 2.92Å
285	Q	98.8	Very high	96.8	Very high	77 Å²	77	67.2 Å²	67.2	36%	0.36	34%	0.341	S	S	.	.			trans	-62.9	124.8	177	-176	179.1	57.5	0	0	109.7	W265 T287 P308 E309	W265-Q285 HydrophobicContact CH2-CB 4.35Å; W265-Q285 HydrophobicContact CZ2-CB 4.37Å; Q285-T287 HydrophobicContact CG-CG2 3.99Å; Q285-T287 PolarHBondContact O-N 3.26Å; Q285-P308 PolarHBondContact NE2-O 2.9Å; Q285-E309 VanDerWaalsContact CB-O 3.29Å; Q285-E309 WeakPolarHBondContact CB-O 3.29Å; Q285-E309 VanDerWaalsContact CG-O 3.22Å; Q285-E309 WeakPolarHBondContact CG-O 3.45Å
286	V	98.8	Very high	97.3	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-74	121.9	174.4	-176.3	0	0	0	0	108.7	I194 L260 T262 Y284 T290 F300 E310 V311 D312 V315	I194-V286 HydrophobicContact CB-CG2 4.31Å; I194-V286 HydrophobicContact CD1-CG2 4.36Å; I194-V286 HydrophobicContact CG2-CG2 4.48Å; L260-V286 HydrophobicContact CD1-CG1 4.22Å; T262-V286 HydrophobicContact CG2-CG2 3.99Å; Y284-V286 PolarHBondContact O-N 2.92Å; V286-T290 HydrophobicContact CG1-CG2 4.31Å; V286-F300 HydrophobicContact CB-CE2 4.24Å; V286-F300 HydrophobicContact CG1-CD2 4.18Å; V286-F300 HydrophobicContact CG1-CE2 3.98Å; V286-F300 HydrophobicContact CG2-CE2 4.43Å; V286-E310 PolarHBondContact N-O 2.85Å; V286-V311 HydrophobicContact CB-CB 4.24Å; V286-V311 HydrophobicContact CB-CG2 4.06Å; V286-V311 HydrophobicContact CG1-CG2 4.44Å; V286-V311 WeakPolarHBondContact O-CA 3.44Å; V286-V311 WeakPolarHBondContact O-CG2 3.42Å; V286-D312 PolarHBondContact O-N 3.05Å; V286-D312 VanDerWaalsContact O-N 3.14Å; V286-V315 HydrophobicContact CG1-CG1 4.1Å
287	T	98.9	Very high	97.6	Very high	26 Å²	26	60 Å²	60	16%	0.16	33%	0.326	C	S	.	.			trans	-135.7	176.8	-180	64.4	0	0	0	0	109.9	Q285 K289 T290 A291 D312	Q285-T287 HydrophobicContact CG-CG2 3.99Å; Q285-T287 PolarHBondContact O-N 3.26Å; T287-K289 PolarHBondContact O-N 3.31Å; T287-K289 VanDerWaalsContact O-N 3.12Å; T287-K289 PolarHBondContact OG1-N 3.46Å; T287-T290 PolarHBondContact N-OG1 3.26Å; T287-T290 WeakPolarHBondContact O-CA 3.36Å; T287-T290 VanDerWaalsContact O-CB 3.23Å; T287-T290 WeakPolarHBondContact O-CB 3.45Å; T287-T290 PolarHBondContact O-N 2.98Å; T287-T290 PolarHBondContact O-OG1 3.09Å; T287-A291 PolarHBondContact O-N 3.32Å; T287-D312 WeakPolarHBondContact CA-OD2 3.41Å; T287-D312 VanDerWaalsContact CB-OD2 3.25Å; T287-D312 WeakPolarHBondContact CB-OD2 3.08Å; T287-D312 HydrophobicContact CG2-CB 4.41Å; T287-D312 WeakPolarHBondContact CG2-OD2 3.2Å
288	M	98.7	Very high	97.9	Very high	56 Å²	56	60.5 Å²	60.5	28%	0.276	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-20.2	172.7	-73.8	-59.4	177.9	0	0	113.7	A291 K292 W298 E314 V315	M288-A291 PolarHBondContact O-N 2.96Å; M288-A291 HydrophobicContact SD-CB 4.1Å; M288-K292 WeakPolarHBondContact O-CB 3.29Å; M288-K292 PolarHBondContact O-N 2.87Å; M288-W298 HydrophobicContact CE-CH2 4.22Å; M288-W298 HydrophobicContact CE-CZ2 4.27Å; M288-W298 HydrophobicContact SD-CH2 4.17Å; M288-W298 HydrophobicContact SD-CZ2 3.89Å; M288-E314 HydrophobicContact CE-CG 3.8Å; M288-E314 WeakPolarHBondContact CE-O 3.44Å; M288-E314 HydrophobicContact CG-CB 4.37Å; M288-E314 HydrophobicContact CG-CG 3.77Å; M288-E314 WeakPolarHBondContact CG-OE1 3.32Å; M288-V315 HydrophobicContact CE-CG2 4.24Å; M288-V315 HydrophobicContact CG-CG2 4.26Å; M288-V315 HydrophobicContact SD-CG2 4.11Å
289	K	98.6	Very high	98.2	Very high	170 Å²	170	57.7 Å²	57.7	74%	0.739	31%	0.314	S	S	*	.	H	α-helix	trans	-66.5	-39.6	170.8	-65.1	178.2	-179.4	173.4	0	111.6	T287 K292	T287-K289 PolarHBondContact O-N 3.31Å; T287-K289 VanDerWaalsContact O-N 3.12Å; T287-K289 PolarHBondContact OG1-N 3.46Å; K289-K292 WeakPolarHBondContact O-CB 3.43Å; K289-K292 PolarHBondContact O-N 3.34Å
290	T	98.8	Very high	98.4	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-46.6	173.3	-42.5	0	0	0	0	110.3	I194 A254 L260 V286 T287 K292 V293	I194-T290 HydrophobicContact CD1-CG2 3.42Å; I194-T290 VanDerWaalsContact CD1-CG2 3.42Å; A254-T290 HydrophobicContact CB-CG2 3.74Å; L260-T290 HydrophobicContact CD1-CG2 4.37Å; V286-T290 HydrophobicContact CG1-CG2 4.31Å; T287-T290 PolarHBondContact N-OG1 3.26Å; T287-T290 WeakPolarHBondContact O-CA 3.36Å; T287-T290 VanDerWaalsContact O-CB 3.23Å; T287-T290 WeakPolarHBondContact O-CB 3.45Å; T287-T290 PolarHBondContact O-N 2.98Å; T287-T290 PolarHBondContact O-OG1 3.09Å; T290-K292 VanDerWaalsContact C-N 3.25Å; T290-K292 PolarHBondContact O-N 2.9Å; T290-V293 WeakPolarHBondContact O-CG2 3.43Å; T290-V293 PolarHBondContact O-N 3.04Å
291	A	98.6	Very high	98.5	Very high	5 Å²	5	49.4 Å²	49.4	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-29.3	177.3	0	0	0	0	0	113.9	L260 T287 M288 V293 A294 W298	L260-A291 HydrophobicContact CD1-CB 4.13Å; T287-A291 PolarHBondContact O-N 3.32Å; M288-A291 PolarHBondContact O-N 2.96Å; M288-A291 HydrophobicContact SD-CB 4.1Å; A291-V293 PolarHBondContact O-N 3.15Å; A291-A294 WeakPolarHBondContact O-CB 3.29Å; A291-A294 PolarHBondContact O-N 3.26Å; A291-A294 VanDerWaalsContact O-N 3.13Å; A291-W298 HydrophobicContact CB-CD2 4.05Å; A291-W298 HydrophobicContact CB-CE3 4.43Å; A291-W298 HydrophobicContact CB-CH2 3.97Å; A291-W298 HydrophobicContact CB-CZ2 3.53Å; A291-W298 HydrophobicContact CB-CZ3 4.4Å
292	K	98.7	Very high	98.6	Very high	185 Å²	185	49.5 Å²	49.5	80%	0.804	27%	0.269	S	S	*	.	H	α-helix	trans	-63.6	-27.3	179.9	-171.7	175.3	179.5	-179.9	0	113.6	M288 K289 T290	M288-K292 WeakPolarHBondContact O-CB 3.29Å; M288-K292 PolarHBondContact O-N 2.87Å; K289-K292 WeakPolarHBondContact O-CB 3.43Å; K289-K292 PolarHBondContact O-N 3.34Å; T290-K292 VanDerWaalsContact C-N 3.25Å; T290-K292 PolarHBondContact O-N 2.9Å
293	V	98.8	Very high	98.6	Very high	51 Å²	51	43.2 Å²	43.2	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-94.3	-8.7	176.9	-58.2	0	0	0	0	112.9	L251 A254 H255 G256 T290 A291	L251-V293 HydrophobicContact CB-CG2 4.42Å; L251-V293 HydrophobicContact CD2-CG2 4.02Å; A254-V293 HydrophobicContact CB-CG2 3.64Å; H255-V293 WeakPolarHBondContact CA-O 3.49Å; G256-V293 PolarHBondContact N-O 3.13Å; T290-V293 WeakPolarHBondContact O-CG2 3.43Å; T290-V293 PolarHBondContact O-N 3.04Å; A291-V293 PolarHBondContact O-N 3.15Å
294	A	98.8	Very high	98.7	Very high	14 Å²	14	41.6 Å²	41.6	12%	0.116	22%	0.217	C	C	.	.	S	Bend	trans	-73.2	172.1	175.5	0	0	0	0	0	111.9	A254 L260 A291 W298	A254-A294 VanDerWaalsContact O-CA 3.3Å; A254-A294 WeakPolarHBondContact O-CA 3.3Å; L260-A294 HydrophobicContact CD1-CB 4.36Å; L260-A294 HydrophobicContact CD2-CB 4.19Å; L260-A294 HydrophobicContact CG-CB 4.36Å; A291-A294 WeakPolarHBondContact O-CB 3.29Å; A291-A294 PolarHBondContact O-N 3.26Å; A291-A294 VanDerWaalsContact O-N 3.13Å; A294-W298 HydrophobicContact CB-CB 3.88Å; A294-W298 HydrophobicContact CB-CG 4.22Å
295	A	98.7	Very high	98.6	Very high	20 Å²	20	44.4 Å²	44.4	17%	0.165	24%	0.237	C	C	.	.			trans	-61.5	152.9	173.6	0	0	0	0	0	111.3	G257 D297 W298	G257-A295 WeakPolarHBondContact O-CB 3.23Å; G257-A295 PolarHBondContact O-N 3.21Å; A295-D297 VanDerWaalsContact CB-OD1 3.27Å; A295-D297 WeakPolarHBondContact CB-OD1 3.48Å; A295-D297 PolarHBondContact O-N 3.09Å; A295-D297 VanDerWaalsContact O-N 3.14Å; A295-W298 VanDerWaalsContact O-CB 3.28Å; A295-W298 WeakPolarHBondContact O-CB 3.3Å; A295-W298 VanDerWaalsContact O-CD1 3.24Å; A295-W298 PolarHBondContact O-N 2.99Å
296	S	98.6	Very high	98.5	Very high	109 Å²	109	43 Å²	43	76%	0.762	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.4	-177.4	54.6	0	0	0	0	113.8	W298 R320	S296-W298 VanDerWaalsContact C-N 3.33Å; S296-R320 PolarHBondContact O-NH1 2.83Å; S296-R320 PolarHBondContact O-NH2 3.26Å
297	D	98.6	Very high	98.2	Very high	69 Å²	69	46.6 Å²	46.6	37%	0.369	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	14	178.1	66	-18.4	0	0	0	113.3	Y183 N258 A295	Y183-D297 HydrophobicContact CE1-CB 4.49Å; Y183-D297 PolarHBondContact OH-O 2.92Å; N258-D297 PolarHBondContact ND2-OD1 2.77Å; N258-D297 PolarHBondContact ND2-OD2 3.22Å; A295-D297 VanDerWaalsContact CB-OD1 3.27Å; A295-D297 WeakPolarHBondContact CB-OD1 3.48Å; A295-D297 PolarHBondContact O-N 3.09Å; A295-D297 VanDerWaalsContact O-N 3.14Å
298	W	98.9	Very high	98.1	Very high	24 Å²	24	49.3 Å²	49.3	9%	0.091	26%	0.262	C	S	.	.			trans	-52.2	145.6	-174.4	72.8	-90.2	0	0	0	114.7	N258 L260 M288 A291 A294 A295 S296 F300 V315 R320	N258-W298 CarbonylContact O-C 3.53Å; N258-W298 WeakPolarHBondContact O-CA 3.36Å; L260-W298 HydrophobicContact CD1-CE3 4.21Å; M288-W298 HydrophobicContact CE-CH2 4.22Å; M288-W298 HydrophobicContact CE-CZ2 4.27Å; M288-W298 HydrophobicContact SD-CH2 4.17Å; M288-W298 HydrophobicContact SD-CZ2 3.89Å; A291-W298 HydrophobicContact CB-CD2 4.05Å; A291-W298 HydrophobicContact CB-CE3 4.43Å; A291-W298 HydrophobicContact CB-CH2 3.97Å; A291-W298 HydrophobicContact CB-CZ2 3.53Å; A291-W298 HydrophobicContact CB-CZ3 4.4Å; A294-W298 HydrophobicContact CB-CB 3.88Å; A294-W298 HydrophobicContact CB-CG 4.22Å; A295-W298 VanDerWaalsContact O-CB 3.28Å; A295-W298 WeakPolarHBondContact O-CB 3.3Å; A295-W298 VanDerWaalsContact O-CD1 3.24Å; A295-W298 PolarHBondContact O-N 2.99Å; S296-W298 VanDerWaalsContact C-N 3.33Å; W298-F300 HydrophobicContact CE3-CB 4.46Å; W298-F300 HydrophobicContact CZ3-CB 3.91Å; W298-V315 HydrophobicContact CH2-CG1 4.43Å; W298-V315 HydrophobicContact CZ3-CG1 4.32Å; W298-R320 HydrophobicContact CD2-CB 4.32Å; W298-R320 HydrophobicContact CD2-CG 4.4Å; W298-R320 HydrophobicContact CE3-CB 4Å; W298-R320 HydrophobicContact CH2-CB 3.68Å; W298-R320 HydrophobicContact CH2-CG 4.08Å; W298-R320 HydrophobicContact CZ2-CB 4.01Å; W298-R320 HydrophobicContact CZ2-CG 3.87Å; W298-R320 HydrophobicContact CZ3-CB 3.66Å; W298-R320 HydrophobicContact CZ3-CG 4.4Å; W298-R320 VanDerWaalsContact N-NH1 3.16Å; W298-R320 WeakPolarHBondContact O-CD 3.34Å; W298-R320 PolarHBondContact O-NH1 3.24Å
299	T	98.9	Very high	98	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163.9	169.2	51	0	0	0	0	110.9	H182 Y183 N258 V259 L260 R320 L322	H182-T299 VanDerWaalsContact NE2-CG2 3.3Å; H182-T299 WeakPolarHBondContact NE2-CG2 3.21Å; Y183-T299 HydrophobicContact CE2-CG2 4.13Å; Y183-T299 WeakPolarHBondContact CE2-OG1 3.23Å; Y183-T299 WeakPolarHBondContact OH-CG2 3.26Å; Y183-T299 PolarHBondContact OH-N 3.5Å; Y183-T299 PolarHBondContact OH-OG1 2.81Å; N258-T299 PolarHBondContact O-N 2.83Å; N258-T299 PolarHBondContact O-OG1 2.84Å; V259-T299 WeakPolarHBondContact CA-O 3.17Å; L260-T299 PolarHBondContact N-O 3.01Å; T299-R320 CarbonylContact C-O 3.5Å; T299-R320 VanDerWaalsContact CA-O 3.28Å; T299-R320 WeakPolarHBondContact CA-O 3.18Å; T299-R320 WeakPolarHBondContact CB-O 3.43Å; T299-L322 HydrophobicContact CG2-CD1 3.82Å; T299-L322 HydrophobicContact CG2-CG 4.17Å
300	F	98.9	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.9	178.6	175.7	-99.4	0	0	0	112.7	L260 T262 V286 W298 H302 V311 V315 F316 R320 L322 V323	L260-F300 HydrophobicContact CB-CD2 4.04Å; L260-F300 CarbonylContact O-C 3.58Å; L260-F300 WeakPolarHBondContact O-CA 3.48Å; L260-F300 WeakPolarHBondContact O-CD2 3.25Å; T262-F300 HydrophobicContact CG2-CE2 3.76Å; T262-F300 HydrophobicContact CG2-CZ 3.7Å; V286-F300 HydrophobicContact CB-CE2 4.24Å; V286-F300 HydrophobicContact CG1-CD2 4.18Å; V286-F300 HydrophobicContact CG1-CE2 3.98Å; V286-F300 HydrophobicContact CG2-CE2 4.43Å; W298-F300 HydrophobicContact CE3-CB 4.46Å; W298-F300 HydrophobicContact CZ3-CB 3.91Å; F300-H302 HydrophobicContact CE1-CB 3.82Å; F300-H302 HydrophobicContact CZ-CB 3.95Å; F300-V311 HydrophobicContact CE1-CG1 4.32Å; F300-V311 HydrophobicContact CE1-CG2 4.03Å; F300-V311 HydrophobicContact CE2-CB 4.39Å; F300-V311 HydrophobicContact CE2-CG2 3.95Å; F300-V311 HydrophobicContact CZ-CB 3.81Å; F300-V311 HydrophobicContact CZ-CG1 3.9Å; F300-V311 HydrophobicContact CZ-CG2 3.54Å; F300-V315 HydrophobicContact CB-CG1 4.07Å; F300-V315 HydrophobicContact CD1-CG1 4.06Å; F300-V315 HydrophobicContact CD2-CG1 3.74Å; F300-V315 HydrophobicContact CE1-CG1 4.47Å; F300-V315 HydrophobicContact CE2-CG1 4.18Å; F300-V315 HydrophobicContact CG-CG1 3.68Å; F300-F316 HydrophobicContact CE1-CD2 4.04Å; F300-R320 PolarHBondContact N-O 2.6Å; F300-L322 PolarHBondContact O-N 3.25Å; F300-V323 HydrophobicContact CD1-CG2 3.85Å; F300-V323 HydrophobicContact CE1-CG2 3.83Å
301	L	98.9	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.3	175	-61.2	-177.3	0	0	0	111.7	D175 T178 L179 V259 L260 I261 T262 L322 E326	D175-L301 HydrophobicContact CB-CD1 4.02Å; T178-L301 HydrophobicContact CG2-CD2 4.44Å; L179-L301 HydrophobicContact CD1-CD1 4.1Å; L179-L301 HydrophobicContact CD2-CD1 4.03Å; L179-L301 HydrophobicContact CD2-CG 4.49Å; L179-L301 HydrophobicContact CG-CD1 4.02Å; V259-L301 HydrophobicContact CG1-CD1 3.81Å; V259-L301 HydrophobicContact CG1-CG 3.8Å; L260-L301 PolarHBondContact O-N 2.93Å; I261-L301 HydrophobicContact CD1-CD1 4.38Å; I261-L301 HydrophobicContact CG1-CB 4.25Å; I261-L301 HydrophobicContact CG1-CD1 4.47Å; I261-L301 HydrophobicContact CG2-CB 4.33Å; T262-L301 PolarHBondContact N-O 2.93Å; L301-L322 HydrophobicContact CD2-CB 3.76Å; L301-E326 WeakPolarHBondContact CB-OE2 3.36Å; L301-E326 HydrophobicContact CD2-CB 4.25Å; L301-E326 HydrophobicContact CD2-CG 4.32Å
302	H	98.8	Very high	98	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	120.8	176.1	-174.9	-62.3	0	0	0	109.9	F300 L304 E310 F316 V323 E326	F300-H302 HydrophobicContact CE1-CB 3.82Å; F300-H302 HydrophobicContact CZ-CB 3.95Å; H302-L304 WeakPolarHBondContact ND1-CA 3.43Å; H302-L304 PolarHBondContact ND1-N 3.37Å; H302-L304 PolarHBondContact O-N 3.26Å; H302-E310 IonicContact CE1-OE1 3.64Å; H302-E310 WeakPolarHBondContact NE2-CG 3.33Å; H302-E310 IonicContact NE2-OE1 3.68Å; H302-E310 PolarHBondContact NE2-OE1 2.84Å; H302-F316 HydrophobicContact CB-CE2 4.47Å; H302-V323 HydrophobicContact CB-CG2 3.78Å; H302-E326 PolarHBondContact N-OE2 3.24Å
303	C	97.8	Very high	98	Very high	15 Å²	15	38 Å²	38	10%	0.101	22%	0.217	C	C	.	.			trans	-66.4	-17.6	-170.7	74.1	0	0	0	0	115.7	R92 Q171 I200 D263 E326	R92-C303 PolarHBondContact NE-O 3.02Å; Q171-C303 VanDerWaalsContact CD-CB 3.49Å; Q171-C303 HydrophobicContact CG-CB 3.83Å; I200-C303 HydrophobicContact CD1-CB 4.43Å; D263-C303 PolarHBondContact OD1-SG 3.16Å; C303-E326 VanDerWaalsContact CA-OE1 3.25Å; C303-E326 WeakPolarHBondContact CA-OE1 3.41Å; C303-E326 PolarHBondContact N-OE1 3.14Å
304	L	97.9	Very high	98	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.157	23%	0.23	C	C	.	.	S	Bend	trans	69.3	147.9	-179	-62.4	174.9	0	0	0	113.3	R92 H302 R306 F316 V323 A327	R92-L304 VanDerWaalsContact CZ-C 3.47Å; R92-L304 VanDerWaalsContact CZ-O 3.27Å; R92-L304 PolarHBondContact NE-O 2.97Å; R92-L304 VanDerWaalsContact NE-O 3.15Å; R92-L304 PolarHBondContact NH2-O 2.68Å; H302-L304 WeakPolarHBondContact ND1-CA 3.43Å; H302-L304 PolarHBondContact ND1-N 3.37Å; H302-L304 PolarHBondContact O-N 3.26Å; L304-R306 HydrophobicContact CD2-CB 3.84Å; L304-F316 HydrophobicContact CD2-CE2 3.95Å; L304-F316 HydrophobicContact CD2-CZ 3.79Å; L304-V323 HydrophobicContact CD1-CG1 3.89Å; L304-V323 HydrophobicContact CD2-CG1 3.74Å; L304-V323 HydrophobicContact CG-CG1 3.8Å; L304-A327 HydrophobicContact CD1-CB 4.2Å
305	P	96.6	Very high	98	Very high	73 Å²	73	41 Å²	41	47%	0.474	23%	0.225	S	C	.	.			cis	-85.9	134	12	33.1	-26.7	0	0	0	111.8	R92	R92-P305 VanDerWaalsContact NH2-N 3.14Å
306	R	96.4	Very high	98	Very high	48 Å²	48	40.4 Å²	40.4	18%	0.181	22%	0.219	C	C	.	.			trans	-78.5	144	176.1	176.6	-96.5	177.9	160.8	-0.6	111.1	L304 E310 V311 D312 D313 F316	L304-R306 HydrophobicContact CD2-CB 3.84Å; R306-E310 WeakPolarHBondContact CA-OE1 3.2Å; R306-V311 HydrophobicContact CG-CG1 3.58Å; R306-V311 PolarHBondContact NE-O 3.26Å; R306-V311 PolarHBondContact NH2-O 2.87Å; R306-D312 VanDerWaalsContact NH2-C 3.33Å; R306-D313 IonicContact CZ-OD1 3.97Å; R306-D313 IonicContact NH1-OD1 3.53Å; R306-D313 PolarHBondContact NH1-OD1 2.75Å; R306-D313 IonicContact NH2-OD1 2.7Å; R306-D313 PolarHBondContact NH2-OD1 2.93Å; R306-F316 HydrophobicContact CB-CD2 4.04Å; R306-F316 HydrophobicContact CB-CE2 3.41Å; R306-F316 VanDerWaalsContact CB-CE2 3.41Å; R306-F316 HydrophobicContact CB-CZ 3.87Å; R306-F316 HydrophobicContact CG-CD2 3.57Å; R306-F316 HydrophobicContact CG-CE2 3.51Å; R306-F316 HydrophobicContact CG-CG 4.3Å; R306-F316 HydrophobicContact CG-CZ 4.2Å
307	K	94.4	Very high	98	Very high	75 Å²	75	42.3 Å²	42.3	33%	0.326	21%	0.21	S	C	.	.			trans	-121.9	161.4	169	-46.9	-179.5	-176	159.8	0	109	T264 I266 E309 E310	T264-K307 WeakPolarHBondContact OG1-CD 3.12Å; T264-K307 VanDerWaalsContact OG1-CE 3.29Å; T264-K307 WeakPolarHBondContact OG1-CE 3.44Å; T264-K307 PolarHBondContact OG1-NZ 2.97Å; I266-K307 PolarHBondContact O-NZ 3.47Å; K307-E309 WeakPolarHBondContact CB-OE2 3.37Å; K307-E309 PolarHBondContact O-N 2.94Å; K307-E310 WeakPolarHBondContact CB-OE2 3.27Å; K307-E310 PolarHBondContact N-OE1 2.97Å; K307-E310 VanDerWaalsContact O-CD 3.22Å
308	P	96.4	Very high	98	Very high	82 Å²	82	39.7 Å²	39.7	53%	0.532	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16	-176.1	27	-35.5	0	0	0	113.7	Q285	Q285-P308 PolarHBondContact NE2-O 2.9Å
309	E	96.8	Very high	98	Very high	61 Å²	61	44.8 Å²	44.8	29%	0.285	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-46.9	-176.4	-66.8	83.4	177.1	0	0	113	W265 L278 Q285 K307	W265-E309 HydrophobicContact CE3-CB 3.98Å; W265-E309 HydrophobicContact CH2-CB 4.3Å; W265-E309 WeakPolarHBondContact CH2-O 3.37Å; W265-E309 WeakPolarHBondContact CZ2-O 3.44Å; W265-E309 HydrophobicContact CZ3-CB 3.86Å; L278-E309 HydrophobicContact CD2-CG 3.78Å; Q285-E309 VanDerWaalsContact CB-O 3.29Å; Q285-E309 WeakPolarHBondContact CB-O 3.29Å; Q285-E309 VanDerWaalsContact CG-O 3.22Å; Q285-E309 WeakPolarHBondContact CG-O 3.45Å; K307-E309 WeakPolarHBondContact CB-OE2 3.37Å; K307-E309 PolarHBondContact O-N 2.94Å
310	E	97.4	Very high	98	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-26.9	-172.7	57.1	-93.3	-150.1	0	0	114.9	T262 D263 W265 V286 H302 R306 K307	T262-E310 HydrophobicContact CG2-CB 4.13Å; T262-E310 HydrophobicContact CG2-CG 4.29Å; D263-E310 WeakPolarHBondContact O-CB 3.44Å; W265-E310 HydrophobicContact CZ2-CB 4.43Å; V286-E310 PolarHBondContact N-O 2.85Å; H302-E310 IonicContact CE1-OE1 3.64Å; H302-E310 WeakPolarHBondContact NE2-CG 3.33Å; H302-E310 IonicContact NE2-OE1 3.68Å; H302-E310 PolarHBondContact NE2-OE1 2.84Å; R306-E310 WeakPolarHBondContact CA-OE1 3.2Å; K307-E310 WeakPolarHBondContact CB-OE2 3.27Å; K307-E310 PolarHBondContact N-OE1 2.97Å; K307-E310 VanDerWaalsContact O-CD 3.22Å
311	V	98.8	Very high	98	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-154.4	143.3	-179.4	62.5	0	0	0	0	110	T262 V286 F300 R306 V315 F316	T262-V311 HydrophobicContact CG2-CB 4.28Å; V286-V311 HydrophobicContact CB-CB 4.24Å; V286-V311 HydrophobicContact CB-CG2 4.06Å; V286-V311 HydrophobicContact CG1-CG2 4.44Å; V286-V311 WeakPolarHBondContact O-CA 3.44Å; V286-V311 WeakPolarHBondContact O-CG2 3.42Å; F300-V311 HydrophobicContact CE1-CG1 4.32Å; F300-V311 HydrophobicContact CE1-CG2 4.03Å; F300-V311 HydrophobicContact CE2-CB 4.39Å; F300-V311 HydrophobicContact CE2-CG2 3.95Å; F300-V311 HydrophobicContact CZ-CB 3.81Å; F300-V311 HydrophobicContact CZ-CG1 3.9Å; F300-V311 HydrophobicContact CZ-CG2 3.54Å; R306-V311 HydrophobicContact CG-CG1 3.58Å; R306-V311 PolarHBondContact NE-O 3.26Å; R306-V311 PolarHBondContact NH2-O 2.87Å; V311-V315 HydrophobicContact CG2-CB 3.67Å; V311-V315 HydrophobicContact CG2-CG1 3.7Å; V311-F316 HydrophobicContact CG1-CB 4.11Å; V311-F316 HydrophobicContact CG1-CD2 3.84Å; V311-F316 HydrophobicContact CG1-CG 4.38Å; V311-F316 HydrophobicContact CG2-CB 4.28Å
312	D	98.6	Very high	98	Very high	33 Å²	33	50.6 Å²	50.6	18%	0.176	26%	0.259	C	S	.	.			trans	-78.8	168.8	174.3	69.4	18.6	0	0	0	113.1	V286 T287 R306 E314 V315 F316	V286-D312 PolarHBondContact O-N 3.05Å; V286-D312 VanDerWaalsContact O-N 3.14Å; T287-D312 WeakPolarHBondContact CA-OD2 3.41Å; T287-D312 VanDerWaalsContact CB-OD2 3.25Å; T287-D312 WeakPolarHBondContact CB-OD2 3.08Å; T287-D312 HydrophobicContact CG2-CB 4.41Å; T287-D312 WeakPolarHBondContact CG2-OD2 3.2Å; R306-D312 VanDerWaalsContact NH2-C 3.33Å; D312-E314 VanDerWaalsContact C-N 3.27Å; D312-E314 PolarHBondContact O-N 2.8Å; D312-E314 PolarHBondContact OD1-N 2.85Å; D312-V315 WeakPolarHBondContact OD1-CB 3.41Å; D312-V315 WeakPolarHBondContact OD1-CG2 3.36Å; D312-V315 PolarHBondContact OD1-N 2.98Å; D312-F316 WeakPolarHBondContact O-CB 3.32Å; D312-F316 PolarHBondContact O-N 2.85Å
313	D	98.8	Very high	98	Very high	93 Å²	93	50.5 Å²	50.5	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-68	-29.7	178.9	-75.1	-4	0	0	0	112.3	R306 F316 Y317	R306-D313 IonicContact CZ-OD1 3.97Å; R306-D313 IonicContact NH1-OD1 3.53Å; R306-D313 PolarHBondContact NH1-OD1 2.75Å; R306-D313 IonicContact NH2-OD1 2.7Å; R306-D313 PolarHBondContact NH2-OD1 2.93Å; D313-F316 PolarHBondContact O-N 2.78Å; D313-Y317 HydrophobicContact CB-CD2 4Å; D313-Y317 HydrophobicContact CB-CE2 4.34Å; D313-Y317 WeakPolarHBondContact O-CB 3.45Å; D313-Y317 WeakPolarHBondContact O-CD2 3.45Å; D313-Y317 PolarHBondContact O-N 2.69Å
314	E	98.8	Very high	98	Very high	126 Å²	126	55.6 Å²	55.6	59%	0.589	28%	0.279	S	S	*	.	H	α-helix	trans	-64	-44.1	-178.2	-164.1	-177.6	177.7	0	0	110.9	M288 D312 S318	M288-E314 HydrophobicContact CE-CG 3.8Å; M288-E314 WeakPolarHBondContact CE-O 3.44Å; M288-E314 HydrophobicContact CG-CB 4.37Å; M288-E314 HydrophobicContact CG-CG 3.77Å; M288-E314 WeakPolarHBondContact CG-OE1 3.32Å; D312-E314 VanDerWaalsContact C-N 3.27Å; D312-E314 PolarHBondContact O-N 2.8Å; D312-E314 PolarHBondContact OD1-N 2.85Å; E314-S318 WeakPolarHBondContact O-CA 3.49Å; E314-S318 VanDerWaalsContact O-CB 3.27Å; E314-S318 WeakPolarHBondContact O-CB 3.42Å; E314-S318 PolarHBondContact O-N 3.15Å
315	V	98.8	Very high	98.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-76.4	-46.8	174.2	175	0	0	0	0	111.1	V286 M288 W298 F300 V311 D312 Y317 S318	V286-V315 HydrophobicContact CG1-CG1 4.1Å; M288-V315 HydrophobicContact CE-CG2 4.24Å; M288-V315 HydrophobicContact CG-CG2 4.26Å; M288-V315 HydrophobicContact SD-CG2 4.11Å; W298-V315 HydrophobicContact CH2-CG1 4.43Å; W298-V315 HydrophobicContact CZ3-CG1 4.32Å; F300-V315 HydrophobicContact CB-CG1 4.07Å; F300-V315 HydrophobicContact CD1-CG1 4.06Å; F300-V315 HydrophobicContact CD2-CG1 3.74Å; F300-V315 HydrophobicContact CE1-CG1 4.47Å; F300-V315 HydrophobicContact CE2-CG1 4.18Å; F300-V315 HydrophobicContact CG-CG1 3.68Å; V311-V315 HydrophobicContact CG2-CB 3.67Å; V311-V315 HydrophobicContact CG2-CG1 3.7Å; D312-V315 WeakPolarHBondContact OD1-CB 3.41Å; D312-V315 WeakPolarHBondContact OD1-CG2 3.36Å; D312-V315 PolarHBondContact OD1-N 2.98Å; V315-Y317 VanDerWaalsContact C-N 3.32Å; V315-Y317 PolarHBondContact O-N 3.48Å; V315-S318 WeakPolarHBondContact O-CB 3.28Å; V315-S318 PolarHBondContact O-N 2.87Å; V315-S318 VanDerWaalsContact O-N 3.12Å
316	F	98.9	Very high	98.2	Very high	9 Å²	9	53.5 Å²	53.5	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-38.5	-172.4	-174.2	-94	0	0	0	112.9	F300 H302 L304 R306 V311 D312 D313 S321 V323 F324	F300-F316 HydrophobicContact CE1-CD2 4.04Å; H302-F316 HydrophobicContact CB-CE2 4.47Å; L304-F316 HydrophobicContact CD2-CE2 3.95Å; L304-F316 HydrophobicContact CD2-CZ 3.79Å; R306-F316 HydrophobicContact CB-CD2 4.04Å; R306-F316 HydrophobicContact CB-CE2 3.41Å; R306-F316 VanDerWaalsContact CB-CE2 3.41Å; R306-F316 HydrophobicContact CB-CZ 3.87Å; R306-F316 HydrophobicContact CG-CD2 3.57Å; R306-F316 HydrophobicContact CG-CE2 3.51Å; R306-F316 HydrophobicContact CG-CG 4.3Å; R306-F316 HydrophobicContact CG-CZ 4.2Å; V311-F316 HydrophobicContact CG1-CB 4.11Å; V311-F316 HydrophobicContact CG1-CD2 3.84Å; V311-F316 HydrophobicContact CG1-CG 4.38Å; V311-F316 HydrophobicContact CG2-CB 4.28Å; D312-F316 WeakPolarHBondContact O-CB 3.32Å; D312-F316 PolarHBondContact O-N 2.85Å; D313-F316 PolarHBondContact O-N 2.78Å; F316-S321 WeakPolarHBondContact O-CB 3.31Å; F316-S321 PolarHBondContact O-OG 3.43Å; F316-V323 HydrophobicContact CD2-CG2 4.32Å; F316-V323 HydrophobicContact CE2-CB 4.33Å; F316-V323 HydrophobicContact CE2-CG1 3.79Å; F316-V323 HydrophobicContact CE2-CG2 4.01Å; F316-V323 HydrophobicContact CZ-CG1 3.81Å; F316-F324 HydrophobicContact CE1-CZ 4.18Å
317	Y	98.8	Very high	98.3	Very high	148 Å²	148	52.6 Å²	52.6	58%	0.58	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	8.7	176.9	-60.8	-68.8	0	0	0	113.4	D313 V315 F324	D313-Y317 HydrophobicContact CB-CD2 4Å; D313-Y317 HydrophobicContact CB-CE2 4.34Å; D313-Y317 WeakPolarHBondContact O-CB 3.45Å; D313-Y317 WeakPolarHBondContact O-CD2 3.45Å; D313-Y317 PolarHBondContact O-N 2.69Å; V315-Y317 VanDerWaalsContact C-N 3.32Å; V315-Y317 PolarHBondContact O-N 3.48Å; Y317-F324 HydrophobicContact CD1-CE2 4.43Å; Y317-F324 HydrophobicContact CE1-CE2 4.36Å; Y317-F324 HydrophobicContact CE1-CZ 4.31Å
318	S	98.7	Very high	98.5	Very high	14 Å²	14	52.4 Å²	52.4	10%	0.098	27%	0.271	C	S	.	.	S	Bend	trans	-56.4	148.1	172.9	176.5	0	0	0	0	110.9	E314 V315 R320 S321	E314-S318 WeakPolarHBondContact O-CA 3.49Å; E314-S318 VanDerWaalsContact O-CB 3.27Å; E314-S318 WeakPolarHBondContact O-CB 3.42Å; E314-S318 PolarHBondContact O-N 3.15Å; V315-S318 WeakPolarHBondContact O-CB 3.28Å; V315-S318 PolarHBondContact O-N 2.87Å; V315-S318 VanDerWaalsContact O-N 3.12Å; S318-R320 PolarHBondContact O-N 3.19Å; S318-R320 WeakPolarHBondContact OG-CB 3.11Å; S318-R320 PolarHBondContact OG-N 2.54Å; S318-R320 VanDerWaalsContact OG-N 3.07Å; S318-S321 WeakPolarHBondContact O-CB 3.37Å; S318-S321 PolarHBondContact O-N 2.8Å
319	P	98.6	Very high	98.6	Very high	131 Å²	131	48.5 Å²	48.5	85%	0.851	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.4	167.4	27.3	-36.7	0	0	0	113.7	S321	P319-S321 VanDerWaalsContact C-N 3.34Å
320	R	98.8	Very high	98.7	Very high	88 Å²	88	45.9 Å²	45.9	33%	0.332	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.2	172.1	-59.8	-62.8	-166.7	97.7	-1	113.2	S296 W298 T299 F300 S318	S296-R320 PolarHBondContact O-NH1 2.83Å; S296-R320 PolarHBondContact O-NH2 3.26Å; W298-R320 HydrophobicContact CD2-CB 4.32Å; W298-R320 HydrophobicContact CD2-CG 4.4Å; W298-R320 HydrophobicContact CE3-CB 4Å; W298-R320 HydrophobicContact CH2-CB 3.68Å; W298-R320 HydrophobicContact CH2-CG 4.08Å; W298-R320 HydrophobicContact CZ2-CB 4.01Å; W298-R320 HydrophobicContact CZ2-CG 3.87Å; W298-R320 HydrophobicContact CZ3-CB 3.66Å; W298-R320 HydrophobicContact CZ3-CG 4.4Å; W298-R320 VanDerWaalsContact N-NH1 3.16Å; W298-R320 WeakPolarHBondContact O-CD 3.34Å; W298-R320 PolarHBondContact O-NH1 3.24Å; T299-R320 CarbonylContact C-O 3.5Å; T299-R320 VanDerWaalsContact CA-O 3.28Å; T299-R320 WeakPolarHBondContact CA-O 3.18Å; T299-R320 WeakPolarHBondContact CB-O 3.43Å; F300-R320 PolarHBondContact N-O 2.6Å; S318-R320 PolarHBondContact O-N 3.19Å; S318-R320 WeakPolarHBondContact OG-CB 3.11Å; S318-R320 PolarHBondContact OG-N 2.54Å; S318-R320 VanDerWaalsContact OG-N 3.07Å
321	S	98.9	Very high	98.8	Very high	17 Å²	17	48.5 Å²	48.5	12%	0.119	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-76.7	124.7	178.2	-176.5	0	0	0	0	110.4	F316 S318 P319 V323	F316-S321 WeakPolarHBondContact O-CB 3.31Å; F316-S321 PolarHBondContact O-OG 3.43Å; S318-S321 WeakPolarHBondContact O-CB 3.37Å; S318-S321 PolarHBondContact O-N 2.8Å; P319-S321 VanDerWaalsContact C-N 3.34Å; S321-V323 VanDerWaalsContact OG-CG2 3.31Å; S321-V323 WeakPolarHBondContact OG-CG2 3.26Å
322	L	98.9	Very high	98.8	Very high	17 Å²	17	49.2 Å²	49.2	9%	0.089	25%	0.247	C	C	.	.			trans	-105.3	13.7	177	-57	179.9	0	0	0	112.1	T178 L179 H182 T299 F300 L301 F324 P325 E326	T178-L322 HydrophobicContact CG2-CB 3.85Å; T178-L322 HydrophobicContact CG2-CD1 4.12Å; L179-L322 HydrophobicContact CD2-CD1 4.48Å; H182-L322 HydrophobicContact CB-CD1 3.84Å; T299-L322 HydrophobicContact CG2-CD1 3.82Å; T299-L322 HydrophobicContact CG2-CG 4.17Å; F300-L322 PolarHBondContact O-N 3.25Å; L301-L322 HydrophobicContact CD2-CB 3.76Å; L322-F324 VanDerWaalsContact C-N 3.31Å; L322-F324 PolarHBondContact O-N 2.89Å; L322-P325 WeakPolarHBondContact O-CD 3.43Å; L322-E326 WeakPolarHBondContact O-CB 3.32Å; L322-E326 PolarHBondContact O-N 2.84Å
323	V	98.9	Very high	98.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-39.9	-174.9	172.6	0	0	0	0	113.4	F300 H302 L304 F316 S321 E326 A327	F300-V323 HydrophobicContact CD1-CG2 3.85Å; F300-V323 HydrophobicContact CE1-CG2 3.83Å; H302-V323 HydrophobicContact CB-CG2 3.78Å; L304-V323 HydrophobicContact CD1-CG1 3.89Å; L304-V323 HydrophobicContact CD2-CG1 3.74Å; L304-V323 HydrophobicContact CG-CG1 3.8Å; F316-V323 HydrophobicContact CD2-CG2 4.32Å; F316-V323 HydrophobicContact CE2-CB 4.33Å; F316-V323 HydrophobicContact CE2-CG1 3.79Å; F316-V323 HydrophobicContact CE2-CG2 4.01Å; F316-V323 HydrophobicContact CZ-CG1 3.81Å; S321-V323 VanDerWaalsContact OG-CG2 3.31Å; S321-V323 WeakPolarHBondContact OG-CG2 3.26Å; V323-E326 WeakPolarHBondContact O-CB 3.43Å; V323-A327 WeakPolarHBondContact O-CB 3.16Å; V323-A327 PolarHBondContact O-N 2.95Å
324	F	98.8	Very high	98.9	Very high	121 Å²	121	43.4 Å²	43.4	53%	0.531	22%	0.216	S	C	.	.	H	α-helix	trans	-78.6	-43.5	179.1	-60.5	-64.9	0	0	0	113.3	F316 Y317 L322 E326 A327 E328	F316-F324 HydrophobicContact CE1-CZ 4.18Å; Y317-F324 HydrophobicContact CD1-CE2 4.43Å; Y317-F324 HydrophobicContact CE1-CE2 4.36Å; Y317-F324 HydrophobicContact CE1-CZ 4.31Å; L322-F324 VanDerWaalsContact C-N 3.31Å; L322-F324 PolarHBondContact O-N 2.89Å; F324-E326 VanDerWaalsContact C-N 3.27Å; F324-E326 PolarHBondContact O-N 3.31Å; F324-A327 PolarHBondContact O-N 2.79Å; F324-E328 PolarHBondContact O-N 3.46Å
325	P	98.9	Very high	98.9	Very high	57 Å²	57	37.5 Å²	37.5	37%	0.37	19%	0.188	S	C	.	.	H	α-helix	trans	-52.4	-43.3	165.4	-29.5	34.1	0	0	0	113.5	T178 L322 E328 N329	T178-P325 HydrophobicContact CG2-CB 3.98Å; L322-P325 WeakPolarHBondContact O-CD 3.43Å; P325-E328 PolarHBondContact O-N 2.9Å; P325-N329 WeakPolarHBondContact O-CB 3.08Å; P325-N329 PolarHBondContact O-N 3.39Å
326	E	98.9	Very high	98.9	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-58.1	-50.5	175.2	-175.3	-157.7	144.7	0	0	111.2	Q171 D175 T178 L301 H302 C303 L322 V323 F324 E328 N329 R330	Q171-E326 PolarHBondContact NE2-OE1 3.22Å; D175-E326 WeakPolarHBondContact OD1-CG 3.44Å; T178-E326 HydrophobicContact CG2-CB 4.28Å; T178-E326 WeakPolarHBondContact OG1-CA 3.08Å; L301-E326 WeakPolarHBondContact CB-OE2 3.36Å; L301-E326 HydrophobicContact CD2-CB 4.25Å; L301-E326 HydrophobicContact CD2-CG 4.32Å; H302-E326 PolarHBondContact N-OE2 3.24Å; C303-E326 VanDerWaalsContact CA-OE1 3.25Å; C303-E326 WeakPolarHBondContact CA-OE1 3.41Å; C303-E326 PolarHBondContact N-OE1 3.14Å; L322-E326 WeakPolarHBondContact O-CB 3.32Å; L322-E326 PolarHBondContact O-N 2.84Å; V323-E326 WeakPolarHBondContact O-CB 3.43Å; F324-E326 VanDerWaalsContact C-N 3.27Å; F324-E326 PolarHBondContact O-N 3.31Å; E326-E328 VanDerWaalsContact C-N 3.31Å; E326-E328 PolarHBondContact O-N 2.92Å; E326-N329 PolarHBondContact O-N 2.97Å; E326-N329 VanDerWaalsContact O-N 3.13Å; E326-R330 PolarHBondContact O-N 3.11Å
327	A	98.8	Very high	98.9	Very high	30 Å²	30	37.1 Å²	37.1	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-36.9	178.1	0	0	0	0	0	112.9	L304 V323 F324 R330	L304-A327 HydrophobicContact CD1-CB 4.2Å; V323-A327 WeakPolarHBondContact O-CB 3.16Å; V323-A327 PolarHBondContact O-N 2.95Å; F324-A327 PolarHBondContact O-N 2.79Å; A327-R330 VanDerWaalsContact O-CB 3.31Å; A327-R330 WeakPolarHBondContact O-CB 3.37Å; A327-R330 WeakPolarHBondContact O-CG 3.43Å
328	E	98.9	Very high	98.9	Very high	71 Å²	71	30.2 Å²	30.2	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-65.3	-44.6	173.5	-169.8	-159.2	131.1	0	0	111.1	K68 F324 P325 E326 R330 K331 W332	K68-E328 WeakPolarHBondContact CE-OE1 3.08Å; K68-E328 IonicContact NZ-OE1 2.7Å; K68-E328 PolarHBondContact NZ-OE1 2.91Å; K68-E328 IonicContact NZ-OE2 2.72Å; K68-E328 PolarHBondContact NZ-OE2 2.79Å; F324-E328 PolarHBondContact O-N 3.46Å; P325-E328 PolarHBondContact O-N 2.9Å; E326-E328 VanDerWaalsContact C-N 3.31Å; E326-E328 PolarHBondContact O-N 2.92Å; E328-R330 PolarHBondContact O-N 3.44Å; E328-R330 VanDerWaalsContact O-N 3.11Å; E328-K331 WeakPolarHBondContact O-CB 3.22Å; E328-K331 PolarHBondContact O-N 3.03Å; E328-W332 PolarHBondContact OE1-NE1 3.49Å
329	N	98.9	Very high	98.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-19.1	-177	-82.6	-24.3	0	0	0	113.3	K64 A174 L177 T178 E181 P325 E326 K331 W332 T333	K64-N329 PolarHBondContact NZ-OD1 3.27Å; A174-N329 HydrophobicContact CB-CB 4.09Å; L177-N329 HydrophobicContact CD2-CB 4.13Å; T178-N329 WeakPolarHBondContact CA-ND2 3.5Å; T178-N329 PolarHBondContact OG1-ND2 3.34Å; E181-N329 PolarHBondContact OE2-ND2 2.86Å; P325-N329 WeakPolarHBondContact O-CB 3.08Å; P325-N329 PolarHBondContact O-N 3.39Å; E326-N329 PolarHBondContact O-N 2.97Å; E326-N329 VanDerWaalsContact O-N 3.13Å; N329-K331 PolarHBondContact O-N 2.97Å; N329-K331 VanDerWaalsContact O-N 3.17Å; N329-W332 PolarHBondContact O-N 3.35Å; N329-T333 WeakPolarHBondContact O-CG2 3.42Å; N329-T333 PolarHBondContact O-N 3.41Å; N329-T333 PolarHBondContact O-OG1 3.09Å
330	R	98.9	Very high	98.9	Very high	6 Å²	6	23.6 Å²	23.6	2%	0.023	12%	0.116	C	C	.	.	H	α-helix	trans	-51.2	-34.8	166.3	-62.1	-66.7	-54.1	-82.2	-10.6	113.1	T93 A174 E326 A327 E328 I334	T93-R330 PolarHBondContact OG1-NH2 2.92Å; A174-R330 HydrophobicContact CB-CG 4.08Å; E326-R330 PolarHBondContact O-N 3.11Å; A327-R330 VanDerWaalsContact O-CB 3.31Å; A327-R330 WeakPolarHBondContact O-CB 3.37Å; A327-R330 WeakPolarHBondContact O-CG 3.43Å; E328-R330 PolarHBondContact O-N 3.44Å; E328-R330 VanDerWaalsContact O-N 3.11Å; R330-I334 VanDerWaalsContact O-CG2 3.24Å; R330-I334 WeakPolarHBondContact O-CG2 3.42Å; R330-I334 PolarHBondContact O-N 3.22Å
331	K	98.9	Very high	98.9	Very high	56 Å²	56	19.5 Å²	19.5	24%	0.243	10%	0.101	C	C	.	.	H	α-helix	trans	-72.8	-49.9	179.5	-176.7	173.8	-179.8	167.7	0	111.9	T99 E328 N329 T333 I334 M335	T99-K331 WeakPolarHBondContact OG1-CE 3.42Å; T99-K331 PolarHBondContact OG1-NZ 3.13Å; E328-K331 WeakPolarHBondContact O-CB 3.22Å; E328-K331 PolarHBondContact O-N 3.03Å; N329-K331 PolarHBondContact O-N 2.97Å; N329-K331 VanDerWaalsContact O-N 3.17Å; K331-T333 VanDerWaalsContact C-N 3.34Å; K331-T333 PolarHBondContact O-N 3.13Å; K331-I334 WeakPolarHBondContact O-CG2 3.35Å; K331-M335 HydrophobicContact CG-SD 3.88Å; K331-M335 WeakPolarHBondContact O-CB 3.31Å; K331-M335 WeakPolarHBondContact O-CG 3.5Å; K331-M335 PolarHBondContact O-N 3.4Å; K331-M335 VanDerWaalsContact O-N 3.1Å
332	W	98.9	Very high	98.9	Very high	14 Å²	14	19.8 Å²	19.8	5%	0.053	10%	0.101	C	C	.	.	H	α-helix	trans	-68	-36.9	-176.5	-55.7	116.3	0	0	0	112	K64 I67 K68 L177 E328 N329 M335 A336	K64-W332 HydrophobicContact CB-CB 4.19Å; K64-W332 HydrophobicContact CB-CD2 3.74Å; K64-W332 HydrophobicContact CB-CE3 4.09Å; K64-W332 HydrophobicContact CB-CG 3.76Å; K64-W332 HydrophobicContact CD-CD2 4.44Å; K64-W332 HydrophobicContact CD-CG 3.95Å; K64-W332 HydrophobicContact CG-CD2 3.85Å; K64-W332 HydrophobicContact CG-CG 3.86Å; K64-W332 HydrophobicContact CG-CZ2 4.42Å; I67-W332 HydrophobicContact CB-CH2 4.25Å; I67-W332 HydrophobicContact CB-CZ3 3.98Å; I67-W332 HydrophobicContact CD1-CZ3 4.34Å; I67-W332 HydrophobicContact CG2-CH2 4.14Å; I67-W332 HydrophobicContact CG2-CZ3 4.16Å; K68-W332 HydrophobicContact CB-CH2 3.83Å; K68-W332 HydrophobicContact CB-CZ2 3.68Å; K68-W332 HydrophobicContact CD-CZ2 3.91Å; K68-W332 HydrophobicContact CG-CH2 4.49Å; K68-W332 HydrophobicContact CG-CZ2 3.97Å; L177-W332 HydrophobicContact CD2-CB 4.36Å; E328-W332 PolarHBondContact OE1-NE1 3.49Å; N329-W332 PolarHBondContact O-N 3.35Å; W332-M335 HydrophobicContact CE3-CE 3.96Å; W332-M335 HydrophobicContact CE3-SD 3.79Å; W332-M335 HydrophobicContact CZ3-CE 3.84Å; W332-M335 HydrophobicContact CZ3-SD 3.99Å; W332-A336 PolarHBondContact O-N 2.99Å
333	T	98.9	Very high	98.9	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-73.6	-39.2	179.5	59.5	0	0	0	0	113	S60 L173 A174 L177 N329 K331 M335 A336 V337	S60-T333 WeakPolarHBondContact OG-CA 3.35Å; L173-T333 HydrophobicContact CB-CG2 4.11Å; A174-T333 HydrophobicContact CB-CG2 4.42Å; L177-T333 HydrophobicContact CB-CG2 4.06Å; L177-T333 HydrophobicContact CD2-CG2 3.73Å; N329-T333 WeakPolarHBondContact O-CG2 3.42Å; N329-T333 PolarHBondContact O-N 3.41Å; N329-T333 PolarHBondContact O-OG1 3.09Å; K331-T333 VanDerWaalsContact C-N 3.34Å; K331-T333 PolarHBondContact O-N 3.13Å; T333-M335 VanDerWaalsContact C-N 3.32Å; T333-M335 PolarHBondContact O-N 3.31Å; T333-A336 PolarHBondContact O-N 2.73Å; T333-V337 WeakPolarHBondContact O-CG2 3.27Å; T333-V337 PolarHBondContact O-N 3.3Å
334	I	98.9	Very high	98.8	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-67.3	-35.3	174.4	-164.4	60.9	0	0	0	111.9	T97 L139 I160 I170 R330 K331 A336 V337 M338	T97-I334 HydrophobicContact CG2-CG1 4.32Å; L139-I334 HydrophobicContact CD1-CD1 3.85Å; L139-I334 HydrophobicContact CD1-CG1 4.34Å; I160-I334 HydrophobicContact CG2-CD1 4.24Å; I170-I334 HydrophobicContact CD1-CD1 4.28Å; I170-I334 HydrophobicContact CG2-CD1 4.07Å; R330-I334 VanDerWaalsContact O-CG2 3.24Å; R330-I334 WeakPolarHBondContact O-CG2 3.42Å; R330-I334 PolarHBondContact O-N 3.22Å; K331-I334 WeakPolarHBondContact O-CG2 3.35Å; I334-A336 VanDerWaalsContact C-N 3.35Å; I334-A336 PolarHBondContact O-N 3.06Å; I334-V337 HydrophobicContact CD1-CB 4.3Å; I334-V337 HydrophobicContact CD1-CG1 4.42Å; I334-V337 PolarHBondContact O-N 3.36Å; I334-M338 HydrophobicContact CD1-CE 3.93Å; I334-M338 HydrophobicContact CG1-CE 4.12Å; I334-M338 VanDerWaalsContact O-CG 3.28Å; I334-M338 WeakPolarHBondContact O-CG 3.19Å; I334-M338 PolarHBondContact O-N 2.98Å
335	M	98.9	Very high	98.8	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-46.2	171.7	-74.9	167	63.7	0	0	111.3	L63 I67 G100 L103 L104 K331 W332 T333 M338 V339	L63-M335 HydrophobicContact CD1-CB 4Å; I67-M335 HydrophobicContact CD1-CE 3.5Å; G100-M335 VanDerWaalsContact CA-CG 3.49Å; L103-M335 HydrophobicContact CD2-CE 4.03Å; L103-M335 HydrophobicContact CD2-SD 4.31Å; L103-M335 HydrophobicContact CG-CE 4.44Å; L104-M335 HydrophobicContact CD1-CB 3.94Å; L104-M335 HydrophobicContact CD1-CE 4.26Å; L104-M335 HydrophobicContact CD1-CG 4.03Å; L104-M335 HydrophobicContact CD2-CE 3.87Å; L104-M335 HydrophobicContact CG-CE 3.93Å; K331-M335 HydrophobicContact CG-SD 3.88Å; K331-M335 WeakPolarHBondContact O-CB 3.31Å; K331-M335 WeakPolarHBondContact O-CG 3.5Å; K331-M335 PolarHBondContact O-N 3.4Å; K331-M335 VanDerWaalsContact O-N 3.1Å; W332-M335 HydrophobicContact CE3-CE 3.96Å; W332-M335 HydrophobicContact CE3-SD 3.79Å; W332-M335 HydrophobicContact CZ3-CE 3.84Å; W332-M335 HydrophobicContact CZ3-SD 3.99Å; T333-M335 VanDerWaalsContact C-N 3.32Å; T333-M335 PolarHBondContact O-N 3.31Å; M335-M338 PolarHBondContact O-N 3.35Å; M335-V339 VanDerWaalsContact O-CG2 3.32Å; M335-V339 WeakPolarHBondContact O-CG2 3.09Å; M335-V339 PolarHBondContact O-N 3.24Å
336	A	98.9	Very high	98.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.7	-40.9	177.6	0	0	0	0	0	112.8	M56 L59 S60 L63 W332 T333 I334 V339 S340	M56-A336 WeakPolarHBondContact O-CB 3.38Å; L59-A336 HydrophobicContact CB-CB 4.01Å; L59-A336 HydrophobicContact CD2-CB 4.1Å; L59-A336 VanDerWaalsContact CD2-O 3.27Å; L59-A336 WeakPolarHBondContact CD2-O 3.33Å; L59-A336 HydrophobicContact CG-CB 3.82Å; S60-A336 WeakPolarHBondContact OG-CB 3.36Å; L63-A336 HydrophobicContact CD1-CB 4.26Å; W332-A336 PolarHBondContact O-N 2.99Å; T333-A336 PolarHBondContact O-N 2.73Å; I334-A336 VanDerWaalsContact C-N 3.35Å; I334-A336 PolarHBondContact O-N 3.06Å; A336-V339 PolarHBondContact O-N 3.31Å; A336-S340 VanDerWaalsContact O-CB 3.29Å; A336-S340 WeakPolarHBondContact O-CB 3.38Å; A336-S340 PolarHBondContact O-N 3.04Å; A336-S340 PolarHBondContact O-OG 3.4Å
337	V	98.9	Very high	98.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-54.3	-56.9	172.6	168.3	0	0	0	0	109.3	L42 M56 I160 L173 T333 I334 V339 S340 L341	L42-V337 HydrophobicContact CD1-CB 4.31Å; L42-V337 HydrophobicContact CD1-CG1 3.68Å; L42-V337 HydrophobicContact CD1-CG2 3.61Å; M56-V337 HydrophobicContact SD-CG2 4.02Å; I160-V337 HydrophobicContact CG1-CG1 4.13Å; I160-V337 HydrophobicContact CG2-CG1 4.28Å; L173-V337 HydrophobicContact CD1-CG2 3.48Å; L173-V337 VanDerWaalsContact CD1-CG2 3.48Å; T333-V337 WeakPolarHBondContact O-CG2 3.27Å; T333-V337 PolarHBondContact O-N 3.3Å; I334-V337 HydrophobicContact CD1-CB 4.3Å; I334-V337 HydrophobicContact CD1-CG1 4.42Å; I334-V337 PolarHBondContact O-N 3.36Å; V337-V339 PolarHBondContact O-N 3.35Å; V337-S340 PolarHBondContact O-N 3.24Å; V337-S340 VanDerWaalsContact O-N 3.12Å; V337-S340 PolarHBondContact O-OG 3.07Å; V337-L341 HydrophobicContact CG1-CD1 3.77Å; V337-L341 HydrophobicContact CG1-CG 4.29Å; V337-L341 VanDerWaalsContact O-CG 3.29Å; V337-L341 WeakPolarHBondContact O-CG 3.28Å; V337-L341 PolarHBondContact O-N 2.73Å
338	M	98.9	Very high	98.6	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-45.5	-177.4	-62.7	-62.8	172.3	0	0	112.5	L77 L82 T97 F101 L139 I160 I334 M335 S340 L341 L342	L77-M338 HydrophobicContact CD1-CB 3.88Å; L82-M338 HydrophobicContact CD1-CE 3.8Å; L82-M338 HydrophobicContact CD1-SD 4.05Å; L82-M338 HydrophobicContact CD2-CE 3.68Å; L82-M338 HydrophobicContact CD2-SD 4.34Å; L82-M338 HydrophobicContact CG-CE 4.44Å; T97-M338 HydrophobicContact CG2-CE 4.35Å; F101-M338 HydrophobicContact CD2-CB 4.3Å; F101-M338 HydrophobicContact CD2-CG 4.04Å; F101-M338 HydrophobicContact CD2-SD 4.43Å; F101-M338 HydrophobicContact CE2-CB 4.43Å; F101-M338 HydrophobicContact CE2-CG 4.4Å; F101-M338 HydrophobicContact CE2-SD 4.4Å; L139-M338 HydrophobicContact CB-CE 4.29Å; L139-M338 HydrophobicContact CD1-CE 4.12Å; I160-M338 HydrophobicContact CD1-CE 4.03Å; I160-M338 HydrophobicContact CD1-SD 4.04Å; I160-M338 HydrophobicContact CG1-CE 4.17Å; I160-M338 HydrophobicContact CG1-SD 4.49Å; I334-M338 HydrophobicContact CD1-CE 3.93Å; I334-M338 HydrophobicContact CG1-CE 4.12Å; I334-M338 VanDerWaalsContact O-CG 3.28Å; I334-M338 WeakPolarHBondContact O-CG 3.19Å; I334-M338 PolarHBondContact O-N 2.98Å; M335-M338 PolarHBondContact O-N 3.35Å; M338-S340 PolarHBondContact O-N 3Å; M338-L341 PolarHBondContact O-N 3.42Å; M338-L342 VanDerWaalsContact O-CB 3.27Å; M338-L342 WeakPolarHBondContact O-CB 3.41Å; M338-L342 WeakPolarHBondContact O-CG 3.18Å; M338-L342 PolarHBondContact O-N 3.13Å
339	V	98.9	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-44.1	177.7	171.9	0	0	0	0	111.2	L59 L63 L76 L104 M335 A336 V337 L341 T343 Y345	L59-V339 HydrophobicContact CD1-CG1 4.29Å; L59-V339 HydrophobicContact CD2-CB 4.09Å; L59-V339 HydrophobicContact CD2-CG1 3.94Å; L63-V339 HydrophobicContact CD1-CG2 4.08Å; L76-V339 HydrophobicContact CB-CG2 4.39Å; L76-V339 HydrophobicContact CD1-CG1 4.04Å; L76-V339 HydrophobicContact CD1-CG2 4.02Å; L104-V339 HydrophobicContact CD1-CG2 3.54Å; L104-V339 HydrophobicContact CD2-CG2 4.46Å; M335-V339 VanDerWaalsContact O-CG2 3.32Å; M335-V339 WeakPolarHBondContact O-CG2 3.09Å; M335-V339 PolarHBondContact O-N 3.24Å; A336-V339 PolarHBondContact O-N 3.31Å; V337-V339 PolarHBondContact O-N 3.35Å; V339-L341 VanDerWaalsContact C-N 3.35Å; V339-L341 PolarHBondContact O-N 2.95Å; V339-T343 WeakPolarHBondContact CG1-OG1 3.44Å; V339-T343 WeakPolarHBondContact O-CB 3.4Å; V339-T343 PolarHBondContact O-N 3.43Å; V339-T343 PolarHBondContact O-OG1 3.31Å; V339-Y345 HydrophobicContact CG1-CD1 3.83Å; V339-Y345 HydrophobicContact CG1-CG 4.05Å
340	S	98.8	Very high	98.4	Very high	5 Å²	5	34.9 Å²	34.9	4%	0.035	18%	0.177	C	C	.	.	H	α-helix	trans	-68.9	-30.5	-178.7	71.2	0	0	0	0	114	L37 K38 A336 V337 M338	L37-S340 CarbonylContact C-O 3.57Å; K38-S340 WeakPolarHBondContact CA-O 3.41Å; K38-S340 PolarHBondContact N-O 2.9Å; A336-S340 VanDerWaalsContact O-CB 3.29Å; A336-S340 WeakPolarHBondContact O-CB 3.38Å; A336-S340 PolarHBondContact O-N 3.04Å; A336-S340 PolarHBondContact O-OG 3.4Å; V337-S340 PolarHBondContact O-N 3.24Å; V337-S340 VanDerWaalsContact O-N 3.12Å; V337-S340 PolarHBondContact O-OG 3.07Å; M338-S340 PolarHBondContact O-N 3Å
341	L	98.9	Very high	98.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-85.3	-26.8	179.9	-60.8	-175.1	0	0	0	112.5	L37 K38 G39 R40 L42 P158 I160 V337 M338 V339	L37-L341 HydrophobicContact CB-CD2 4.17Å; L37-L341 WeakPolarHBondContact O-CD2 3.43Å; K38-L341 CarbonylContact C-O 3.49Å; K38-L341 WeakPolarHBondContact CA-O 3.31Å; G39-L341 PolarHBondContact N-O 3.13Å; R40-L341 HydrophobicContact CB-CD2 4.2Å; R40-L341 WeakPolarHBondContact O-CD2 3.28Å; L42-L341 HydrophobicContact CB-CD1 4.4Å; P158-L341 HydrophobicContact CB-CB 4.36Å; P158-L341 HydrophobicContact CB-CD1 4.26Å; P158-L341 HydrophobicContact CG-CB 4.42Å; I160-L341 HydrophobicContact CD1-CD1 4.13Å; I160-L341 HydrophobicContact CG1-CD1 3.8Å; V337-L341 HydrophobicContact CG1-CD1 3.77Å; V337-L341 HydrophobicContact CG1-CG 4.29Å; V337-L341 VanDerWaalsContact O-CG 3.29Å; V337-L341 WeakPolarHBondContact O-CG 3.28Å; V337-L341 PolarHBondContact O-N 2.73Å; M338-L341 PolarHBondContact O-N 3.42Å; V339-L341 VanDerWaalsContact C-N 3.35Å; V339-L341 PolarHBondContact O-N 2.95Å
342	L	98.8	Very high	98.3	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.12	19%	0.19	C	C	.	.	H	α-helix	trans	-113.7	-13.8	-169.3	-60.8	175.8	0	0	0	114.9	L77 F101 D136 A137 P158 M338	L77-L342 HydrophobicContact CD2-CB 4.05Å; L77-L342 HydrophobicContact CD2-CD1 4.22Å; F101-L342 HydrophobicContact CE2-CD1 4.21Å; D136-L342 HydrophobicContact CB-CD2 4.49Å; D136-L342 VanDerWaalsContact O-CD2 3.32Å; D136-L342 WeakPolarHBondContact O-CD2 3.35Å; A137-L342 HydrophobicContact CB-CD1 4.09Å; A137-L342 HydrophobicContact CB-CD2 4.17Å; P158-L342 HydrophobicContact CG-CD2 3.95Å; M338-L342 VanDerWaalsContact O-CB 3.27Å; M338-L342 WeakPolarHBondContact O-CB 3.41Å; M338-L342 WeakPolarHBondContact O-CG 3.18Å; M338-L342 PolarHBondContact O-N 3.13Å
343	T	98.7	Very high	98.2	Very high	25 Å²	25	43.6 Å²	43.6	15%	0.153	22%	0.218	C	C	.	.			trans	-132.2	167.9	-173.8	80.4	0	0	0	0	111.7	L76 L77 V339 Y345	L76-T343 WeakPolarHBondContact O-CG2 3.24Å; L77-T343 HydrophobicContact CD2-CG2 3.6Å; V339-T343 WeakPolarHBondContact CG1-OG1 3.44Å; V339-T343 WeakPolarHBondContact O-CB 3.4Å; V339-T343 PolarHBondContact O-N 3.43Å; V339-T343 PolarHBondContact O-OG1 3.31Å; T343-Y345 VanDerWaalsContact C-N 3.34Å; T343-Y345 WeakPolarHBondContact OG1-CB 3.46Å; T343-Y345 PolarHBondContact OG1-N 3.23Å; T343-Y345 VanDerWaalsContact OG1-N 3.17Å
344	D	98.1	Very high	98.1	Very high	122 Å²	122	45.1 Å²	45.1	65%	0.652	23%	0.225	S	C	*	.			trans	-98.6	18.5	170.1	-55.4	-66.2	0	0	0	111.8	K38 S346	K38-D344 WeakPolarHBondContact CD-OD1 3.5Å; K38-D344 VanDerWaalsContact NZ-CG 3.31Å; K38-D344 IonicContact NZ-OD1 2.72Å; K38-D344 PolarHBondContact NZ-OD1 2.89Å; K38-D344 IonicContact NZ-OD2 2.75Å; K38-D344 PolarHBondContact NZ-OD2 2.82Å; D344-S346 PolarHBondContact O-N 3.05Å
345	Y	98.3	Very high	98	Very high	31 Å²	31	47.2 Å²	47.2	12%	0.122	24%	0.235	C	C	.	.			trans	-60	134.1	178.8	177.4	-94.2	0	0	0	110.7	Y55 L59 D62 R66 L76 V339 T343	Y55-Y345 PolarHBondContact OH-O 2.97Å; L59-Y345 HydrophobicContact CD1-CD1 3.43Å; L59-Y345 VanDerWaalsContact CD1-CD1 3.43Å; L59-Y345 HydrophobicContact CD1-CE1 3.41Å; L59-Y345 VanDerWaalsContact CD1-CE1 3.41Å; D62-Y345 VanDerWaalsContact OD2-CE1 3.29Å; D62-Y345 WeakPolarHBondContact OD2-CE1 3.49Å; D62-Y345 PolarHBondContact OD2-OH 3.18Å; R66-Y345 PolarHBondContact NH1-OH 2.74Å; L76-Y345 HydrophobicContact CD1-CD1 4.21Å; L76-Y345 HydrophobicContact CD1-CD2 3.85Å; L76-Y345 HydrophobicContact CD1-CE1 4.47Å; L76-Y345 HydrophobicContact CD1-CE2 4.15Å; L76-Y345 HydrophobicContact CD1-CG 3.88Å; L76-Y345 HydrophobicContact CD2-CD2 3.68Å; L76-Y345 HydrophobicContact CD2-CE2 4.19Å; L76-Y345 HydrophobicContact CD2-CG 4.32Å; L76-Y345 HydrophobicContact CG-CD2 4.45Å; V339-Y345 HydrophobicContact CG1-CD1 3.83Å; V339-Y345 HydrophobicContact CG1-CG 4.05Å; T343-Y345 VanDerWaalsContact C-N 3.34Å; T343-Y345 WeakPolarHBondContact OG1-CB 3.46Å; T343-Y345 PolarHBondContact OG1-N 3.23Å; T343-Y345 VanDerWaalsContact OG1-N 3.17Å
346	S	97.4	Very high	98	Very high	68 Å²	68	49.6 Å²	49.6	48%	0.476	25%	0.247	S	C	.	.			trans	-111.1	133	176.2	-68.1	0	0	0	0	109.9	D344	D344-S346 PolarHBondContact O-N 3.05Å
347	P	97.4	Very high	97.9	Very high	14 Å²	14	52.3 Å²	52.3	9%	0.091	26%	0.261	C	S	.	.			trans	-56.1	139.9	177.5	-22.3	30.3	0	0	0	112.2	Y55 W58 L59 D62	Y55-P347 HydrophobicContact CE2-CG 4.14Å; W58-P347 HydrophobicContact CD2-CB 3.86Å; W58-P347 HydrophobicContact CD2-CG 3.8Å; W58-P347 HydrophobicContact CE3-CG 4.07Å; W58-P347 HydrophobicContact CG-CB 4.2Å; W58-P347 HydrophobicContact CG-CG 4.21Å; W58-P347 HydrophobicContact CH2-CB 4.4Å; W58-P347 HydrophobicContact CH2-CG 4.45Å; W58-P347 HydrophobicContact CZ2-CB 3.71Å; W58-P347 HydrophobicContact CZ2-CG 4.19Å; W58-P347 HydrophobicContact CZ3-CG 4.39Å; L59-P347 HydrophobicContact CB-CG 4.07Å; L59-P347 HydrophobicContact CD1-CG 3.92Å; D62-P347 HydrophobicContact CB-CB 3.98Å
348	Q	96.1	Very high	97.9	Very high	132 Å²	132	55.4 Å²	55.4	62%	0.617	28%	0.276	S	S	*	.			trans	-95.7	-28.9	176.9	-62.4	-172.7	-9.3	0	0	112.2	D62 R66	D62-Q348 WeakPolarHBondContact OD1-CA 3.45Å; D62-Q348 PolarHBondContact OD1-N 3.07Å; R66-Q348 VanDerWaalsContact CZ-OE1 3.25Å
349	L	96.7	Very high	97.8	Very high	49 Å²	49	58.6 Å²	58.6	26%	0.257	29%	0.292	S	S	.	.	S	Bend	trans	-61.8	147.9	175.6	-163.8	67.9	0	0	0	110.6	W58 A61 D62 F65 K351	W58-L349 WeakPolarHBondContact CZ2-O 3.36Å; W58-L349 PolarHBondContact NE1-O 3.1Å; A61-L349 HydrophobicContact CB-CD2 3.97Å; D62-L349 HydrophobicContact CB-CB 3.91Å; D62-L349 PolarHBondContact OD1-N 3.39Å; F65-L349 HydrophobicContact CB-CD1 4.39Å; F65-L349 HydrophobicContact CB-CD2 4.32Å; F65-L349 HydrophobicContact CD1-CD1 3.83Å; F65-L349 HydrophobicContact CD2-CD1 4.43Å; F65-L349 HydrophobicContact CE1-CD1 4.18Å; F65-L349 HydrophobicContact CG-CD1 3.97Å; L349-K351 PolarHBondContact O-N 3.41Å
350	Q	97.6	Very high	97.8	Very high	174 Å²	174	62.5 Å²	62.5	81%	0.813	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-58.9	138	168.8	-174.2	176.4	15.1	0	0	109.8	P352	Q350-P352 WeakPolarHBondContact O-CD 3.46Å
351	K	97.8	Very high	97.7	Very high	88 Å²	88	66.6 Å²	66.6	38%	0.383	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-55.3	124.1	178.2	-172.9	175.4	-179.3	177.1	0	109.8	E51 W58 L349 F354	E51-K351 IonicContact OE2-NZ 2.87Å; E51-K351 PolarHBondContact OE2-NZ 3.4Å; W58-K351 HydrophobicContact CD2-CB 4.01Å; W58-K351 HydrophobicContact CD2-CG 4.02Å; W58-K351 HydrophobicContact CE3-CB 4.34Å; W58-K351 HydrophobicContact CE3-CD 4.3Å; W58-K351 HydrophobicContact CE3-CG 4.14Å; W58-K351 HydrophobicContact CG-CB 4.38Å; W58-K351 HydrophobicContact CG-CG 4.2Å; W58-K351 HydrophobicContact CZ2-CB 4.3Å; L349-K351 PolarHBondContact O-N 3.41Å; K351-F354 HydrophobicContact CG-CE2 4.35Å
352	P	97.6	Very high	97.6	Very high	23 Å²	23	71.6 Å²	71.6	15%	0.149	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-59.5	156.1	177.1	-24	32.6	0	0	0	112	W58 A61 Q350 F354	W58-P352 VanDerWaalsContact CD1-CD 3.41Å; A61-P352 HydrophobicContact CB-CG 4.04Å; Q350-P352 WeakPolarHBondContact O-CD 3.46Å; P352-F354 HydrophobicContact CB-CE1 4.41Å; P352-F354 HydrophobicContact CB-CE2 3.95Å; P352-F354 HydrophobicContact CB-CZ 3.85Å; P352-F354 HydrophobicContact CG-CE2 4.28Å; P352-F354 HydrophobicContact CG-CZ 4.05Å; P352-F354 WeakPolarHBondContact O-CD2 3.41Å; P352-F354 WeakPolarHBondContact O-CE2 3.41Å
353	K	98.1	Very high	97.5	Very high	149 Å²	149	75.7 Å²	75.7	65%	0.648	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-75.1	127.3	169.9	-173.9	-173.2	177.1	-165.7	0	108.5	Q180	Q180-K353 WeakPolarHBondContact CG-O 3.05Å; Q180-K353 PolarHBondContact NE2-O 2.88Å
354	F	95.9	Very high	97.4	Very high	33 Å²	33	80.3 Å²	80.3	15%	0.145	40%	0.396	C	S	.	.			trans	-118.6	0	178	-65.1	-73	0	0	0	110.6	K54 L57 Q180 L186 K187 F211 K351 P352	K54-F354 HydrophobicContact CB-CD2 4.01Å; K54-F354 HydrophobicContact CB-CE2 4.01Å; K54-F354 HydrophobicContact CD-CB 4.09Å; K54-F354 HydrophobicContact CD-CD2 4.05Å; K54-F354 HydrophobicContact CD-CG 4.2Å; K54-F354 HydrophobicContact CG-CB 4.17Å; K54-F354 HydrophobicContact CG-CD1 4.38Å; K54-F354 HydrophobicContact CG-CD2 3.79Å; K54-F354 HydrophobicContact CG-CE2 4.24Å; K54-F354 HydrophobicContact CG-CG 3.86Å; L57-F354 HydrophobicContact CB-CE1 3.7Å; L57-F354 HydrophobicContact CB-CZ 3.67Å; L57-F354 HydrophobicContact CD1-CD1 4.37Å; L57-F354 HydrophobicContact CD1-CE1 3.76Å; L57-F354 HydrophobicContact CG-CE1 4.4Å; Q180-F354 HydrophobicContact CB-CE1 4.48Å; Q180-F354 HydrophobicContact CG-CD1 3.9Å; Q180-F354 HydrophobicContact CG-CE1 3.85Å; L186-F354 WeakPolarHBondContact CA-OXT 3.42Å; L186-F354 HydrophobicContact CD1-CD1 4.07Å; L186-F354 PolarHBondContact N-OXT 2.68Å; K187-F354 PolarHBondContact N-OXT 3.04Å; F211-F354 HydrophobicContact CE1-CD1 4.09Å; F211-F354 HydrophobicContact CE1-CG 4.49Å; K351-F354 HydrophobicContact CG-CE2 4.35Å; P352-F354 HydrophobicContact CB-CE1 4.41Å; P352-F354 HydrophobicContact CB-CE2 3.95Å; P352-F354 HydrophobicContact CB-CZ 3.85Å; P352-F354 HydrophobicContact CG-CE2 4.28Å; P352-F354 HydrophobicContact CG-CZ 4.05Å; P352-F354 WeakPolarHBondContact O-CD2 3.41Å; P352-F354 WeakPolarHBondContact O-CE2 3.41Å

Retrieved 354 of 354 residues in 799.2 ms (Link to these results)

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