A0A087X4L1_POEFO Loading...

Biphenyl hydrolase like

AlphaFold DB , UniProt , Accession A0A087X4L1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	30.7	Very low	248 Å²	248	175.3 Å²	175.3	100%	1.222	88%	0.875	S	S	*	*				0	118.1	0	-125.1	159.7	101	0	0	106.9
2	A	31.1	Very low	31.2	Very low	92 Å²	92	176.5 Å²	176.5	76%	0.76	87%	0.871	S	S	*	*			trans	-16.4	131.5	178.1	0	0	0	0	0	117.2
3	L	25.2	Very low	31.1	Very low	163 Å²	163	172.9 Å²	172.9	85%	0.853	87%	0.872	S	S	*	*				51.4	138.6	56.2	-121.5	103.5	0	0	0	115.7
4	L	29.5	Very low	31.5	Very low	146 Å²	146	168.5 Å²	168.5	76%	0.764	87%	0.865	S	S	*	*			trans	101.3	130	175.2	-57.5	152.5	0	0	0	113.1
5	L	29.8	Very low	31.8	Very low	154 Å²	154	170.9 Å²	170.9	81%	0.806	86%	0.859	S	S	*	*			cis	-164.6	150.4	8.5	-104.5	159.3	0	0	0	110
6	F	27.9	Very low	32.1	Very low	210 Å²	210	167.9 Å²	167.9	92%	0.921	85%	0.846	S	S	*	*			trans	-49.3	153	163.2	-96.9	-116.6	0	0	0	114.3
7	G	26.8	Very low	32.4	Very low	75 Å²	75	165.5 Å²	165.5	77%	0.773	84%	0.842	S	S	*	*			trans	170.7	86.8	159.1	0	0	0	0	0	117.6
8	R	30	Very low	32.3	Very low	242 Å²	242	158.7 Å²	158.7	91%	0.913	82%	0.82	S	S	*	*			trans	-14.7	131.5	155.4	-67.9	172.1	170.2	-171.7	-3.8	116.6
9	R	30.3	Very low	32.3	Very low	241 Å²	241	158.7 Å²	158.7	91%	0.909	81%	0.813	S	S	*	*			trans	-169.8	72.4	130.4	-103.5	168.8	-169.4	-161.8	4.8	111.4
10	L	35.8	Very low	32.7	Very low	163 Å²	163	158.1 Å²	158.1	85%	0.853	81%	0.81	S	S	*	*			trans	-60.8	148.7	139.5	-79.6	150.2	0	0	0	107.3
11	F	33.7	Very low	32.7	Very low	194 Å²	194	157.9 Å²	157.9	85%	0.851	81%	0.807	S	S	*	*			trans	87.4	89.5	-174.4	-64.5	-88.4	0	0	0	117
12	K	36.2	Very low	32.5	Very low	190 Å²	190	153.3 Å²	153.3	83%	0.826	78%	0.783	S	S	*	*				162.7	94.6	120.2	-98.6	177.3	168.2	177.4	0	109.4
13	C	30.5	Very low	32.7	Very low	130 Å²	130	153.4 Å²	153.4	88%	0.878	78%	0.783	S	S	*	*	S	Bend	trans	-167.6	59.6	141.1	-136.2	0	0	0	0	109.7
14	S	36.3	Very low	33.5	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	77%	0.772	S	S	*	*	S	Bend	trans	-129.8	17.6	174.5	177.3	0	0	0	0	111.2
15	R	36	Very low	34.1	Very low	205 Å²	205	150.9 Å²	150.9	77%	0.774	77%	0.773	S	S	*	*	S	Bend	trans	-106	-4.6	-173.2	-96.1	-175.8	175.9	-178.6	-0.8	115.8
16	D	37.4	Very low	34.5	Very low	123 Å²	123	151.3 Å²	151.3	66%	0.658	78%	0.775	S	S	*	*	S	Bend	trans	-113.3	1.4	-176.1	-65.6	-37.7	0	0	0	114.8
17	V	36.3	Very low	35.3	Very low	127 Å²	127	149.1 Å²	149.1	77%	0.77	76%	0.762	S	S	*	*	S	Bend	trans	-99.3	-16.8	171.7	-170	0	0	0	0	112
18	G	30.8	Very low	36.1	Very low	43 Å²	43	151.4 Å²	151.4	44%	0.443	77%	0.765	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.4	-13.2	176	0	0	0	0	0	115.1
19	K	33.4	Very low	36.9	Very low	158 Å²	158	144.3 Å²	144.3	69%	0.687	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-6.2	-173.5	-90.1	-175.2	173.9	-178.3	0	115.8
20	I	38.4	Very low	38.4	Very low	147 Å²	147	135.5 Å²	135.5	75%	0.754	73%	0.728	S	S	*	*	S	Bend	trans	-102.2	-16	178.8	-59.2	179	0	0	0	111.4
21	M	33.9	Very low	40.4	Very low	154 Å²	154	130.5 Å²	130.5	76%	0.759	71%	0.71	S	S	*	*	S	Bend	trans	-97.8	-8.9	176.7	-71.4	179.9	63.9	0	0	114.5	S24	M21-S24 PolarHBondContact O-OG 3.23Å
22	E	32.6	Very low	43.2	Very low	151 Å²	151	124 Å²	124	71%	0.706	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-89.3	-3.8	173.9	-82.7	-177.5	155.6	0	0	113.8	S24	E22-S24 PolarHBondContact O-N 3.11Å
23	A	36.6	Very low	45.9	Very low	94 Å²	94	118.5 Å²	118.5	78%	0.777	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-79.8	0.6	177.9	0	0	0	0	0	114.1
24	S	41.8	Very low	49.1	Very low	87 Å²	87	113.4 Å²	113.4	61%	0.608	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-107.2	0.3	-179.4	52.1	0	0	0	0	115	M21 E22	M21-S24 PolarHBondContact O-OG 3.23Å; E22-S24 PolarHBondContact O-N 3.11Å
25	Q	42	Very low	52	Low	170 Å²	170	112.9 Å²	112.9	79%	0.794	63%	0.627	S	S	*	*	S	Bend	trans	-143.9	83.5	177	-86.8	178.7	-18.5	0	0	111.1
26	L	37.6	Very low	55	Low	162 Å²	162	106.1 Å²	106.1	85%	0.848	61%	0.605	S	S	*	*			trans	-167.3	65.7	153.9	-100.6	151.2	0	0	0	108.5	C28	L26-C28 PolarHBondContact O-N 3.03Å
27	Y	45.6	Very low	57.9	Low	164 Å²	164	106.6 Å²	106.6	64%	0.643	60%	0.597	S	S	*	*			trans	-89.6	88.5	164.7	-76.7	-78.7	0	0	0	108.9
28	C	42.2	Very low	60.8	Low	123 Å²	123	100.8 Å²	100.8	83%	0.831	56%	0.562	S	S	*	*			trans	-88	115	156.5	-90.8	0	0	0	0	106	L26	L26-C28 PolarHBondContact O-N 3.03Å
29	S	47.3	Very low	64	Low	93 Å²	93	101.5 Å²	101.5	65%	0.65	56%	0.556	S	S	*	*	S	Bend	cis	-153.9	145.3	20.5	47.5	0	0	0	0	109
30	S	62.4	Low	67.1	Low	56 Å²	56	98.3 Å²	98.3	39%	0.392	55%	0.554	S	S	.	*			trans	77.5	31	172.9	78	0	0	0	0	120.3	G49	S30-G49 PolarHBondContact OG-N 3.5Å
31	A	78.3	Confident	69.9	Low	59 Å²	59	92 Å²	92	49%	0.488	52%	0.522	S	S	.	.			trans	-81.5	124.2	162.9	0	0	0	0	0	110.1	Q47 T48	A31-Q47 CarbonylContact C-O 3.17Å; A31-Q47 VanDerWaalsContact CA-O 3.32Å; A31-Q47 WeakPolarHBondContact CA-O 3.33Å; A31-T48 HydrophobicContact CB-CG2 4.08Å
32	S	91.3	Very high	73	Confident	56 Å²	56	87.7 Å²	87.7	39%	0.392	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.6	170.2	64.6	0	0	0	0	110.1	E46 Q47	S32-E46 CarbonylContact O-C 3.51Å; S32-Q47 PolarHBondContact N-O 3.42Å; S32-Q47 PolarHBondContact O-N 2.92Å
33	S	94.3	Very high	76.2	Confident	75 Å²	75	80.5 Å²	80.5	52%	0.524	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.6	173	65.3	0	0	0	0	110.1	Y44 Y45	S33-Y44 WeakPolarHBondContact CB-OH 3.33Å; S33-Y44 PolarHBondContact OG-OH 3.35Å; S33-Y45 VanDerWaalsContact CA-O 3.24Å; S33-Y45 WeakPolarHBondContact CA-O 2.9Å; S33-Y45 WeakPolarHBondContact CB-O 2.97Å
34	G	96.2	Very high	79.1	Confident	24 Å²	24	77.1 Å²	77.1	25%	0.247	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-179.3	-176.3	0	0	0	0	0	112.2	Y44 Y45	G34-Y44 WeakPolarHBondContact O-CA 3.5Å; G34-Y44 WeakPolarHBondContact O-CD2 3.33Å; G34-Y45 PolarHBondContact N-O 3.43Å; G34-Y45 VanDerWaalsContact N-O 3.12Å; G34-Y45 VanDerWaalsContact O-CD1 3.25Å; G34-Y45 WeakPolarHBondContact O-CD1 3.42Å; G34-Y45 PolarHBondContact O-N 3.01Å
35	K	98	Very high	81.8	Confident	99 Å²	99	74.5 Å²	74.5	43%	0.43	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.1	170.2	-67	-170.3	176.7	-166.3	0	109.8	D42 L43 Y44 Q93 R95	K35-D42 HydrophobicContact CB-CB 4.25Å; K35-D42 HydrophobicContact CD-CB 4.01Å; K35-L43 CarbonylContact C-O 3.55Å; K35-L43 VanDerWaalsContact CA-O 3.26Å; K35-L43 WeakPolarHBondContact CA-O 3.39Å; K35-Y44 HydrophobicContact CG-CD2 4.18Å; K35-Q93 WeakPolarHBondContact CE-O 3.37Å; K35-Q93 PolarHBondContact NZ-O 3.42Å; K35-R95 PolarHBondContact NZ-O 3.49Å; K35-R95 VanDerWaalsContact NZ-O 3.11Å
36	Q	98.3	Very high	84.5	Confident	63 Å²	63	68.8 Å²	68.8	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.6	173.1	-171.9	59.4	48.6	0	0	109.6	V38 L43 Y45 L116 T119	Q36-V38 HydrophobicContact CB-CG2 4.4Å; Q36-V38 HydrophobicContact CG-CG2 4.06Å; Q36-V38 PolarHBondContact O-N 3.45Å; Q36-L43 PolarHBondContact N-O 3.16Å; Q36-L43 PolarHBondContact O-N 3.48Å; Q36-Y45 HydrophobicContact CB-CD1 4.46Å; Q36-Y45 HydrophobicContact CB-CE1 4.21Å; Q36-L116 HydrophobicContact CB-CD1 3.74Å; Q36-L116 HydrophobicContact CG-CD1 4.22Å; Q36-T119 HydrophobicContact CG-CG2 3.43Å; Q36-T119 VanDerWaalsContact CG-CG2 3.43Å; Q36-T119 VanDerWaalsContact NE2-CG2 3.33Å
37	R	98.3	Very high	87.4	Confident	133 Å²	133	63 Å²	63	50%	0.502	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	114.4	175.1	-169.7	73.8	172	168.2	3.2	109.5	S40 V41 D42	R37-S40 PolarHBondContact NH1-O 2.93Å; R37-S40 VanDerWaalsContact NH1-O 3.13Å; R37-S40 PolarHBondContact NH2-O 3.26Å; R37-V41 CarbonylContact C-O 3.48Å; R37-V41 WeakPolarHBondContact CA-O 3.44Å; R37-D42 WeakPolarHBondContact CD-OD1 3.41Å; R37-D42 IonicContact CZ-OD2 3.9Å; R37-D42 IonicContact NH1-OD2 2.88Å; R37-D42 PolarHBondContact NH1-OD2 3.04Å
38	V	98.4	Very high	89.9	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	132.7	-178.7	178.2	0	0	0	0	108.2	Q36 S40 V41 L43 D115 L116	Q36-V38 HydrophobicContact CB-CG2 4.4Å; Q36-V38 HydrophobicContact CG-CG2 4.06Å; Q36-V38 PolarHBondContact O-N 3.45Å; V38-S40 PolarHBondContact O-N 3.47Å; V38-V41 PolarHBondContact N-O 3Å; V38-V41 WeakPolarHBondContact O-CG2 3.3Å; V38-V41 PolarHBondContact O-N 3Å; V38-L43 HydrophobicContact CB-CD1 3.74Å; V38-L43 HydrophobicContact CB-CG 4.3Å; V38-L43 HydrophobicContact CG1-CD1 4.03Å; V38-L43 HydrophobicContact CG2-CD1 4.19Å; V38-D115 HydrophobicContact CG1-CB 3.66Å; V38-L116 HydrophobicContact CG2-CB 4.2Å; V38-L116 HydrophobicContact CG2-CD1 4.1Å
39	N	98.1	Very high	92.5	Very high	57 Å²	57	50.2 Å²	50.2	31%	0.305	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	40.2	176.1	-63.3	-39.4	0	0	0	114	V41 K111 D112 D115	N39-V41 VanDerWaalsContact C-N 3.32Å; N39-V41 PolarHBondContact O-N 3.2Å; N39-K111 PolarHBondContact ND2-NZ 3.34Å; N39-K111 PolarHBondContact OD1-NZ 2.91Å; N39-D112 WeakPolarHBondContact CB-OD1 3.35Å; N39-D112 PolarHBondContact ND2-OD1 2.99Å; N39-D115 PolarHBondContact ND2-OD2 3.42Å; N39-D115 VanDerWaalsContact ND2-OD2 3.16Å; N39-D115 PolarHBondContact OD1-OD2 2.97Å
40	S	97	Very high	94.8	Very high	92 Å²	92	52.5 Å²	52.5	64%	0.643	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	18.9	-179.1	-51.2	0	0	0	0	116.4	R37 V38	R37-S40 PolarHBondContact NH1-O 2.93Å; R37-S40 VanDerWaalsContact NH1-O 3.13Å; R37-S40 PolarHBondContact NH2-O 3.26Å; V38-S40 PolarHBondContact O-N 3.47Å
41	V	98.4	Very high	96.4	Very high	15 Å²	15	50.1 Å²	50.1	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	156	171.9	-65.1	0	0	0	0	110.6	R37 V38 N39 L43 R89 P97	R37-V41 CarbonylContact C-O 3.48Å; R37-V41 WeakPolarHBondContact CA-O 3.44Å; V38-V41 PolarHBondContact N-O 3Å; V38-V41 WeakPolarHBondContact O-CG2 3.3Å; V38-V41 PolarHBondContact O-N 3Å; N39-V41 VanDerWaalsContact C-N 3.32Å; N39-V41 PolarHBondContact O-N 3.2Å; V41-L43 HydrophobicContact CG2-CD2 3.69Å; V41-L43 HydrophobicContact CG2-CG 4Å; V41-R89 HydrophobicContact CG2-CB 4.32Å; V41-P97 HydrophobicContact CG1-CG 3.97Å
42	D	98.6	Very high	97.2	Very high	62 Å²	62	57.6 Å²	57.6	33%	0.332	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	101.6	177.1	-66.3	-66.4	0	0	0	109.4	K35 R37	K35-D42 HydrophobicContact CB-CB 4.25Å; K35-D42 HydrophobicContact CD-CB 4.01Å; R37-D42 WeakPolarHBondContact CD-OD1 3.41Å; R37-D42 IonicContact CZ-OD2 3.9Å; R37-D42 IonicContact NH1-OD2 2.88Å; R37-D42 PolarHBondContact NH1-OD2 3.04Å
43	L	98.9	Very high	97.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.4	-176.8	-60.6	178.6	0	0	0	110.2	K35 Q36 V38 V41 W86 R89 S94 D112 L116	K35-L43 CarbonylContact C-O 3.55Å; K35-L43 VanDerWaalsContact CA-O 3.26Å; K35-L43 WeakPolarHBondContact CA-O 3.39Å; Q36-L43 PolarHBondContact N-O 3.16Å; Q36-L43 PolarHBondContact O-N 3.48Å; V38-L43 HydrophobicContact CB-CD1 3.74Å; V38-L43 HydrophobicContact CB-CG 4.3Å; V38-L43 HydrophobicContact CG1-CD1 4.03Å; V38-L43 HydrophobicContact CG2-CD1 4.19Å; V41-L43 HydrophobicContact CG2-CD2 3.69Å; V41-L43 HydrophobicContact CG2-CG 4Å; L43-W86 HydrophobicContact CD1-CE3 4.07Å; L43-W86 HydrophobicContact CD1-CZ3 3.88Å; L43-W86 HydrophobicContact CD2-CZ3 4.34Å; L43-R89 HydrophobicContact CD2-CB 4.12Å; L43-S94 WeakPolarHBondContact CA-OG 3.13Å; L43-D112 HydrophobicContact CD1-CB 3.91Å; L43-L116 HydrophobicContact CD1-CB 4.42Å
44	Y	98.8	Very high	97.8	Very high	23 Å²	23	53.2 Å²	53.2	9%	0.09	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.8	171.7	-175.8	-99.2	0	0	0	111.2	S33 G34 K35 E46 W86 D87 Q93 S94	S33-Y44 WeakPolarHBondContact CB-OH 3.33Å; S33-Y44 PolarHBondContact OG-OH 3.35Å; G34-Y44 WeakPolarHBondContact O-CA 3.5Å; G34-Y44 WeakPolarHBondContact O-CD2 3.33Å; K35-Y44 HydrophobicContact CG-CD2 4.18Å; Y44-E46 HydrophobicContact CE1-CG 3.77Å; Y44-W86 WeakPolarHBondContact O-CA 3.38Å; Y44-D87 WeakPolarHBondContact CD1-OD2 3.38Å; Y44-D87 PolarHBondContact O-N 3.2Å; Y44-Q93 HydrophobicContact CD1-CB 3.9Å; Y44-Q93 HydrophobicContact CD1-CG 4.46Å; Y44-Q93 HydrophobicContact CD2-CB 3.88Å; Y44-Q93 HydrophobicContact CG-CB 3.53Å; Y44-Q93 HydrophobicContact CG-CG 4.42Å; Y44-Q93 PolarHBondContact OH-NE2 3.17Å; Y44-S94 PolarHBondContact N-OG 3.35Å
45	Y	98.7	Very high	97.9	Very high	32 Å²	32	52 Å²	52	13%	0.125	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	157.4	173.9	74.2	-81.4	0	0	0	111.6	S33 G34 Q36 Q47 V84 G85 L116 L120	S33-Y45 VanDerWaalsContact CA-O 3.24Å; S33-Y45 WeakPolarHBondContact CA-O 2.9Å; S33-Y45 WeakPolarHBondContact CB-O 2.97Å; G34-Y45 PolarHBondContact N-O 3.43Å; G34-Y45 VanDerWaalsContact N-O 3.12Å; G34-Y45 VanDerWaalsContact O-CD1 3.25Å; G34-Y45 WeakPolarHBondContact O-CD1 3.42Å; G34-Y45 PolarHBondContact O-N 3.01Å; Q36-Y45 HydrophobicContact CB-CD1 4.46Å; Q36-Y45 HydrophobicContact CB-CE1 4.21Å; Y45-Q47 HydrophobicContact CD2-CB 4.26Å; Y45-Q47 HydrophobicContact CE2-CB 4.13Å; Y45-V84 HydrophobicContact CD2-CG1 4.2Å; Y45-G85 CarbonylContact C-O 3.5Å; Y45-G85 WeakPolarHBondContact CA-O 3.24Å; Y45-G85 VanDerWaalsContact CB-O 3.3Å; Y45-G85 WeakPolarHBondContact CB-O 3.25Å; Y45-L116 HydrophobicContact CD1-CD1 4.32Å; Y45-L120 HydrophobicContact CD2-CD1 3.97Å; Y45-L120 HydrophobicContact CE1-CD2 3.9Å; Y45-L120 HydrophobicContact CE2-CD1 3.97Å; Y45-L120 HydrophobicContact CE2-CD2 3.93Å; Y45-L120 HydrophobicContact CG-CD1 4.31Å
46	E	98.3	Very high	97.9	Very high	50 Å²	50	47.3 Å²	47.3	23%	0.234	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134	167.9	-67.6	-177.7	-138.9	0	0	108.8	S32 Y44 T65 L73 V84 G85	S32-E46 CarbonylContact O-C 3.51Å; Y44-E46 HydrophobicContact CE1-CG 3.77Å; E46-T65 HydrophobicContact CB-CG2 4.18Å; E46-T65 HydrophobicContact CG-CG2 4.17Å; E46-T65 VanDerWaalsContact OE1-CB 3.3Å; E46-T65 WeakPolarHBondContact OE1-CB 3.25Å; E46-T65 PolarHBondContact OE1-OG1 3.1Å; E46-L73 HydrophobicContact CB-CD1 4.28Å; E46-L73 HydrophobicContact CB-CD2 4.47Å; E46-V84 CarbonylContact O-C 3.56Å; E46-V84 VanDerWaalsContact O-CA 3.3Å; E46-V84 WeakPolarHBondContact O-CA 3.15Å; E46-G85 PolarHBondContact N-O 3.18Å; E46-G85 PolarHBondContact O-N 2.99Å
47	Q	98.1	Very high	98	Very high	42 Å²	42	44.3 Å²	44.3	20%	0.196	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.6	178.5	-178.9	178.3	-47.9	0	0	110	A31 S32 Y45 T82 V83 V84	A31-Q47 CarbonylContact C-O 3.17Å; A31-Q47 VanDerWaalsContact CA-O 3.32Å; A31-Q47 WeakPolarHBondContact CA-O 3.33Å; S32-Q47 PolarHBondContact N-O 3.42Å; S32-Q47 PolarHBondContact O-N 2.92Å; Y45-Q47 HydrophobicContact CD2-CB 4.26Å; Y45-Q47 HydrophobicContact CE2-CB 4.13Å; Q47-T82 HydrophobicContact CG-CG2 3.73Å; Q47-V83 CarbonylContact C-O 3.46Å; Q47-V83 VanDerWaalsContact CA-O 3.29Å; Q47-V83 WeakPolarHBondContact CA-O 3.35Å; Q47-V84 HydrophobicContact CB-CG2 4.31Å; Q47-V84 HydrophobicContact CG-CG2 4.04Å
48	T	97.8	Very high	98	Very high	13 Å²	13	38.1 Å²	38.1	8%	0.08	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.1	175.7	64.3	0	0	0	0	111.2	A31 L73 K78 V83	A31-T48 HydrophobicContact CB-CG2 4.08Å; T48-L73 HydrophobicContact CG2-CD2 4.47Å; T48-L73 PolarHBondContact OG1-O 2.82Å; T48-K78 PolarHBondContact OG1-NZ 3.27Å; T48-V83 PolarHBondContact N-O 2.76Å; T48-V83 PolarHBondContact O-N 3.31Å
49	G	96.9	Very high	98	Very high	5 Å²	5	38 Å²	38	5%	0.052	19%	0.192	C	C	.	.			trans	83.4	165.2	176.6	0	0	0	0	0	113.9	S30 K78 F81 T82	S30-G49 PolarHBondContact OG-N 3.5Å; G49-K78 WeakPolarHBondContact CA-O 3.44Å; G49-F81 CarbonylContact C-O 3.56Å; G49-T82 PolarHBondContact O-OG1 3.02Å
50	Q	96	Very high	98	Very high	140 Å²	140	35.4 Å²	35.4	65%	0.654	18%	0.179	S	C	*	.			trans	-129.7	9.2	-167.1	63.3	-179.4	26.3	0	0	112.9	K78 T82	Q50-K78 PolarHBondContact N-O 2.78Å; Q50-T82 WeakPolarHBondContact CA-OG1 3.49Å
51	G	95.8	Very high	98.1	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	15%	0.153	C	C	.	.			trans	-74.5	152.6	-178.3	0	0	0	0	0	113.3	H53 K78 E79 R80 F81 T82	G51-H53 PolarHBondContact O-N 2.66Å; G51-K78 PolarHBondContact N-O 3.4Å; G51-E79 WeakPolarHBondContact CA-O 3.5Å; G51-R80 CarbonylContact C-O 3.52Å; G51-R80 VanDerWaalsContact CA-C 3.49Å; G51-R80 WeakPolarHBondContact CA-O 3.13Å; G51-F81 PolarHBondContact N-O 3.31Å; G51-T82 PolarHBondContact N-OG1 3.35Å; G51-T82 PolarHBondContact O-N 3.24Å; G51-T82 PolarHBondContact O-OG1 2.76Å
52	K	95.9	Very high	98.1	Very high	217 Å²	217	30.9 Å²	30.9	94%	0.943	15%	0.148	S	C	*	.	S	Bend	trans	-67.2	-20.1	-176	-65	-178.3	-179.5	177	0	113.5	A54	K52-A54 PolarHBondContact O-N 2.69Å
53	H	98	Very high	98	Very high	36 Å²	36	28 Å²	28	17%	0.167	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	98.8	-179.6	-167.3	158.6	0	0	0	110	G51 R80 F81 T82 S126 L282	G51-H53 PolarHBondContact O-N 2.66Å; H53-R80 WeakPolarHBondContact CB-O 3.35Å; H53-R80 PolarHBondContact N-O 3.4Å; H53-F81 HydrophobicContact CB-CD1 3.83Å; H53-F81 HydrophobicContact CB-CE1 4.2Å; H53-F81 AromaticContact CG-CD1 3.9Å; H53-F81 AromaticContact CG-CE1 3.97Å; H53-F81 AromaticContact ND1-CE1 3.75Å; H53-F81 VanDerWaalsContact O-CA 3.25Å; H53-F81 WeakPolarHBondContact O-CA 3.34Å; H53-T82 PolarHBondContact O-N 2.78Å; H53-T82 VanDerWaalsContact O-N 3.08Å; H53-S126 PolarHBondContact NE2-OG 3.39Å; H53-L282 PolarHBondContact CE1-O 3.16Å; H53-L282 VanDerWaalsContact CE1-O 3.28Å
54	A	98.6	Very high	98	Very high	2 Å²	2	28 Å²	28	2%	0.017	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.6	176.9	0	0	0	0	0	112	K52 T82 M117 F122 F125 S126	K52-A54 PolarHBondContact O-N 2.69Å; A54-T82 CarbonylContact C-O 3.58Å; A54-T82 VanDerWaalsContact CA-O 3.29Å; A54-T82 WeakPolarHBondContact CA-O 3.42Å; A54-M117 HydrophobicContact CB-CE 4.01Å; A54-F122 HydrophobicContact CB-CB 4.32Å; A54-F122 HydrophobicContact CB-CD1 3.31Å; A54-F122 HydrophobicContact CB-CE1 3.67Å; A54-F122 HydrophobicContact CB-CG 3.84Å; A54-F122 HydrophobicContact CB-CZ 4.47Å; A54-F125 HydrophobicContact CB-CB 3.76Å; A54-F125 CarbonylContact O-C 3.53Å; A54-F125 WeakPolarHBondContact O-CA 3.14Å; A54-F125 VanDerWaalsContact O-CB 3.3Å; A54-F125 WeakPolarHBondContact O-CB 3.36Å; A54-S126 PolarHBondContact O-N 2.88Å
55	V	98.9	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.7	-179.5	-174.9	0	0	0	0	109.5	L57 F81 T82 V83 V84 S126 L128 L282	V55-L57 HydrophobicContact CG1-CD2 4.09Å; V55-F81 HydrophobicContact CG2-CB 4.29Å; V55-F81 HydrophobicContact CG2-CD1 3.81Å; V55-F81 HydrophobicContact CG2-CG 4.27Å; V55-T82 PolarHBondContact N-O 3Å; V55-V83 WeakPolarHBondContact O-CA 3.33Å; V55-V84 PolarHBondContact O-N 2.95Å; V55-S126 CarbonylContact C-O 3.45Å; V55-S126 WeakPolarHBondContact CA-O 3.32Å; V55-L128 HydrophobicContact CG1-CD1 3.79Å; V55-L282 HydrophobicContact CG1-CD1 4.39Å; V55-L282 HydrophobicContact CG2-CD1 4.01Å
56	L	98.9	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.1	174.6	179.2	63.3	0	0	0	110.6	F58 V84 W86 G113 M117 F125 S126 L127 L128	L56-F58 HydrophobicContact CB-CE2 4.45Å; L56-F58 HydrophobicContact CD2-CD2 4.19Å; L56-F58 HydrophobicContact CD2-CE1 4.16Å; L56-F58 HydrophobicContact CD2-CE2 3.39Å; L56-F58 HydrophobicContact CD2-CZ 3.37Å; L56-F58 HydrophobicContact CG-CD2 4.16Å; L56-F58 HydrophobicContact CG-CE2 3.82Å; L56-F58 HydrophobicContact CG-CZ 4.22Å; L56-V84 CarbonylContact C-O 3.47Å; L56-V84 WeakPolarHBondContact CA-O 3.13Å; L56-V84 HydrophobicContact CD1-CB 4.27Å; L56-V84 HydrophobicContact CD1-CG1 4.06Å; L56-W86 HydrophobicContact CD1-CB 4.45Å; L56-W86 HydrophobicContact CD1-CG 4.1Å; L56-G113 WeakPolarHBondContact CD2-O 3.43Å; L56-M117 HydrophobicContact CB-CE 4.33Å; L56-M117 HydrophobicContact CB-CG 4.09Å; L56-M117 HydrophobicContact CB-SD 4.11Å; L56-M117 HydrophobicContact CD1-CG 4.14Å; L56-M117 HydrophobicContact CD1-SD 3.99Å; L56-M117 HydrophobicContact CD2-CG 3.72Å; L56-M117 HydrophobicContact CG-CG 4.2Å; L56-M117 HydrophobicContact CG-SD 4.45Å; L56-F125 HydrophobicContact CB-CD2 4.13Å; L56-F125 HydrophobicContact CB-CE2 4.37Å; L56-F125 HydrophobicContact CD2-CE2 4.27Å; L56-S126 PolarHBondContact N-O 2.97Å; L56-L127 HydrophobicContact CB-CD2 4.23Å; L56-L128 PolarHBondContact O-N 3.27Å
57	L	98.9	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116	177.6	-46	-176.1	0	0	0	110.4	V55 F69 Q72 L73 V83 V84 L128	V55-L57 HydrophobicContact CG1-CD2 4.09Å; L57-F69 HydrophobicContact CB-CD1 4.17Å; L57-F69 HydrophobicContact CB-CD2 3.67Å; L57-F69 HydrophobicContact CB-CE1 4.19Å; L57-F69 HydrophobicContact CB-CE2 3.65Å; L57-F69 HydrophobicContact CB-CG 3.93Å; L57-F69 HydrophobicContact CB-CZ 3.94Å; L57-F69 HydrophobicContact CD1-CB 3.61Å; L57-F69 HydrophobicContact CD1-CD1 3.92Å; L57-F69 HydrophobicContact CD1-CD2 4.1Å; L57-F69 HydrophobicContact CD1-CG 3.6Å; L57-F69 HydrophobicContact CG-CG 4.4Å; L57-Q72 HydrophobicContact CD1-CB 3.94Å; L57-L73 HydrophobicContact CD1-CD2 4.19Å; L57-L73 HydrophobicContact CD1-CG 4.19Å; L57-V83 HydrophobicContact CD1-CG1 3.67Å; L57-V83 HydrophobicContact CD2-CG1 3.95Å; L57-V83 HydrophobicContact CG-CG1 3.79Å; L57-V84 PolarHBondContact N-O 3.12Å; L57-L128 CarbonylContact C-O 3.55Å; L57-L128 WeakPolarHBondContact CA-O 3.37Å; L57-L128 HydrophobicContact CD2-CB 3.57Å; L57-L128 HydrophobicContact CD2-CD2 3.61Å; L57-L128 HydrophobicContact CD2-CG 4.19Å
58	F	98.8	Very high	97.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.6	176.6	-74.2	-91.9	0	0	0	111	L56 F69 W86 L127 L128 W130 G133 T136 A137 A140	L56-F58 HydrophobicContact CB-CE2 4.45Å; L56-F58 HydrophobicContact CD2-CD2 4.19Å; L56-F58 HydrophobicContact CD2-CE1 4.16Å; L56-F58 HydrophobicContact CD2-CE2 3.39Å; L56-F58 HydrophobicContact CD2-CZ 3.37Å; L56-F58 HydrophobicContact CG-CD2 4.16Å; L56-F58 HydrophobicContact CG-CE2 3.82Å; L56-F58 HydrophobicContact CG-CZ 4.22Å; F58-F69 WeakPolarHBondContact O-CZ 3.48Å; F58-W86 AromaticContact CD1-CE2 3.8Å; F58-W86 AromaticContact CD1-CZ2 3.62Å; F58-W86 HydrophobicContact CD1-CZ2 3.62Å; F58-W86 AromaticContact CD1-NE1 3.37Å; F58-W86 AromaticContact CE1-CE2 3.86Å; F58-W86 AromaticContact CE1-CZ2 3.52Å; F58-W86 HydrophobicContact CE1-CZ2 3.52Å; F58-W86 AromaticContact CE1-NE1 3.7Å; F58-W86 AromaticContact CG-NE1 3.86Å; F58-L127 HydrophobicContact CE2-CB 4.41Å; F58-L127 HydrophobicContact CE2-CD1 4.26Å; F58-L127 HydrophobicContact CE2-CD2 3.8Å; F58-L127 HydrophobicContact CE2-CG 4.37Å; F58-L128 PolarHBondContact N-O 2.89Å; F58-W130 PolarHBondContact O-N 2.97Å; F58-W130 VanDerWaalsContact O-N 3.07Å; F58-G133 VanDerWaalsContact CB-CA 3.47Å; F58-G133 WeakPolarHBondContact CB-O 3.47Å; F58-T136 HydrophobicContact CD1-CG2 3.53Å; F58-T136 HydrophobicContact CE1-CG2 3.45Å; F58-T136 VanDerWaalsContact CE1-CG2 3.45Å; F58-T136 HydrophobicContact CZ-CG2 4.4Å; F58-A137 HydrophobicContact CD2-CB 3.99Å; F58-A137 HydrophobicContact CE2-CB 4.29Å; F58-A140 HydrophobicContact CZ-CB 4.41Å
59	P	98.8	Very high	97.5	Very high	4 Å²	4	28 Å²	28	3%	0.026	13%	0.134	C	C	.	.			trans	-73.7	167.2	-177.5	30.7	-34.6	0	0	0	112.4	D68 F69 P88 G133	P59-D68 WeakPolarHBondContact CA-OD2 3.48Å; P59-D68 HydrophobicContact CB-CB 4.09Å; P59-D68 VanDerWaalsContact CB-OD2 3.23Å; P59-D68 WeakPolarHBondContact CB-OD2 3.44Å; P59-F69 VanDerWaalsContact CA-CE2 3.46Å; P59-F69 HydrophobicContact CB-CE2 3.72Å; P59-F69 HydrophobicContact CB-CZ 4.39Å; P59-F69 HydrophobicContact CG-CE2 4.46Å; P59-P88 VanDerWaalsContact CG-CD 3.41Å; P59-P88 HydrophobicContact CG-CG 3.79Å; P59-G133 WeakPolarHBondContact O-CA 3.39Å; P59-G133 PolarHBondContact O-N 2.99Å
60	G	98.6	Very high	97.5	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	15%	0.15	C	C	.	.			trans	-76.8	-168.7	175	0	0	0	0	0	113.4	L62 G63 D68 W130	G60-L62 PolarHBondContact O-N 3.27Å; G60-G63 PolarHBondContact O-N 3.45Å; G60-D68 PolarHBondContact N-OD2 2.96Å; G60-W130 WeakPolarHBondContact CA-O 3.34Å
61	A	98.1	Very high	97.6	Very high	12 Å²	12	24.5 Å²	24.5	10%	0.099	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	126.5	174.7	0	0	0	0	0	110.8	G63 W198 W201	A61-G63 PolarHBondContact O-N 2.89Å; A61-W198 HydrophobicContact CB-CH2 4.36Å; A61-W198 HydrophobicContact CB-CZ3 3.92Å; A61-W201 HydrophobicContact CB-CD2 3.9Å; A61-W201 VanDerWaalsContact CB-CE2 3.48Å; A61-W201 HydrophobicContact CB-CG 4.07Å; A61-W201 HydrophobicContact CB-CZ2 3.96Å; A61-W201 VanDerWaalsContact CB-NE1 3.33Å
62	L	98.1	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	10.3	-173.7	-72.3	71.9	0	0	0	114.8	G60 Y91 M185 Y189 F194 I197 W198 W201	G60-L62 PolarHBondContact O-N 3.27Å; L62-Y91 HydrophobicContact CB-CE1 4.3Å; L62-Y91 HydrophobicContact CD1-CE1 4.02Å; L62-Y91 HydrophobicContact CG-CD1 4.44Å; L62-Y91 HydrophobicContact CG-CE1 3.88Å; L62-Y91 VanDerWaalsContact N-CE2 3.33Å; L62-Y91 PolarHBondContact N-OH 3.46Å; L62-M185 HydrophobicContact CB-CE 4.1Å; L62-Y189 HydrophobicContact CB-CE2 4.1Å; L62-Y189 VanDerWaalsContact O-CE2 3.32Å; L62-Y189 WeakPolarHBondContact O-CE2 3.35Å; L62-Y189 PolarHBondContact O-OH 2.92Å; L62-F194 HydrophobicContact CD2-CD2 3.63Å; L62-F194 HydrophobicContact CD2-CE2 3.95Å; L62-I197 HydrophobicContact CD1-CG2 3.83Å; L62-I197 HydrophobicContact CD2-CB 3.91Å; L62-I197 HydrophobicContact CD2-CG2 3.72Å; L62-I197 HydrophobicContact CG-CB 4.36Å; L62-I197 HydrophobicContact CG-CG2 3.61Å; L62-W198 HydrophobicContact CD1-CE3 3.73Å; L62-W198 HydrophobicContact CD1-CZ3 4.26Å; L62-W198 HydrophobicContact CD2-CB 4.11Å; L62-W198 HydrophobicContact CD2-CE3 4.13Å; L62-W198 HydrophobicContact CG-CE3 4.36Å; L62-W201 HydrophobicContact CD1-CB 4.03Å; L62-W201 HydrophobicContact CD1-CG 4.4Å
63	G	97.3	Very high	97.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.			trans	-76.6	162.4	-178.2	0	0	0	0	0	113.2	G60 A61 D68	G60-G63 PolarHBondContact O-N 3.45Å; A61-G63 PolarHBondContact O-N 2.89Å; G63-D68 WeakPolarHBondContact CA-OD1 3.47Å; G63-D68 WeakPolarHBondContact CA-OD2 3.35Å
64	S	97.7	Very high	97.7	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.014	11%	0.105	C	C	.	.			trans	-148.2	171.7	180	90.4	0	0	0	0	110.5	K66 T67 D68 D87	S64-K66 PolarHBondContact O-N 2.91Å; S64-K66 PolarHBondContact OG-N 3.26Å; S64-T67 PolarHBondContact N-OG1 2.82Å; S64-T67 PolarHBondContact O-N 3.48Å; S64-T67 PolarHBondContact O-OG1 3.33Å; S64-T67 PolarHBondContact OG-N 3.36Å; S64-D68 WeakPolarHBondContact O-CB 3.16Å; S64-D68 PolarHBondContact O-N 3Å; S64-D87 VanDerWaalsContact CA-OD1 3.24Å; S64-D87 WeakPolarHBondContact CA-OD1 3.04Å; S64-D87 WeakPolarHBondContact CB-OD1 3.49Å
65	T	95	Very high	97.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-51.6	-44	172.6	58.4	0	0	0	0	112.1	E46 F69 G85 D87	E46-T65 HydrophobicContact CB-CG2 4.18Å; E46-T65 HydrophobicContact CG-CG2 4.17Å; E46-T65 VanDerWaalsContact OE1-CB 3.3Å; E46-T65 WeakPolarHBondContact OE1-CB 3.25Å; E46-T65 PolarHBondContact OE1-OG1 3.1Å; T65-F69 PolarHBondContact O-N 3.46Å; T65-G85 WeakPolarHBondContact CG2-O 3.39Å; T65-D87 PolarHBondContact N-OD1 2.87Å
66	K	93.6	Very high	97.5	Very high	126 Å²	126	22.8 Å²	22.8	55%	0.548	13%	0.129	S	C	.	.	H	α-helix	trans	-65.4	-40.3	-178.2	-176.8	179.9	176.1	-168	0	113	S64 V188	S64-K66 PolarHBondContact O-N 2.91Å; S64-K66 PolarHBondContact OG-N 3.26Å; K66-V188 HydrophobicContact CD-CG2 4.39Å
67	T	96.8	Very high	97.4	Very high	28 Å²	28	24.6 Å²	24.6	17%	0.172	14%	0.139	C	C	.	.	H	α-helix	trans	-91	-32.2	-172.5	56.3	0	0	0	0	113.2	S64 P184 M185 V188	S64-T67 PolarHBondContact N-OG1 2.82Å; S64-T67 PolarHBondContact O-N 3.48Å; S64-T67 PolarHBondContact O-OG1 3.33Å; S64-T67 PolarHBondContact OG-N 3.36Å; T67-P184 HydrophobicContact CG2-CB 4.45Å; T67-M185 HydrophobicContact CG2-SD 4.2Å; T67-V188 HydrophobicContact CG2-CG2 3.95Å
68	D	98.1	Very high	97.3	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-108.5	-24.4	-164	-67.9	25.1	0	0	0	112.7	P59 G60 G63 S64 W130 H267 L268	P59-D68 WeakPolarHBondContact CA-OD2 3.48Å; P59-D68 HydrophobicContact CB-CB 4.09Å; P59-D68 VanDerWaalsContact CB-OD2 3.23Å; P59-D68 WeakPolarHBondContact CB-OD2 3.44Å; G60-D68 PolarHBondContact N-OD2 2.96Å; G63-D68 WeakPolarHBondContact CA-OD1 3.47Å; G63-D68 WeakPolarHBondContact CA-OD2 3.35Å; S64-D68 WeakPolarHBondContact O-CB 3.16Å; S64-D68 PolarHBondContact O-N 3Å; D68-W130 HydrophobicContact CB-CE3 3.95Å; D68-W130 HydrophobicContact CB-CZ3 3.97Å; D68-W130 WeakPolarHBondContact OD2-CZ3 3.48Å; D68-H267 PolarHBondContact O-CD2 2.92Å; D68-H267 VanDerWaalsContact O-CD2 3.24Å; D68-H267 PolarHBondContact O-NE2 3.09Å; D68-L268 WeakPolarHBondContact O-CD2 3.3Å
69	F	98.1	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.			trans	-130.9	15.1	-166.2	-62	-56.6	0	0	0	116.2	L57 F58 P59 T65 P71 Q72 L73 W130 W154	L57-F69 HydrophobicContact CB-CD1 4.17Å; L57-F69 HydrophobicContact CB-CD2 3.67Å; L57-F69 HydrophobicContact CB-CE1 4.19Å; L57-F69 HydrophobicContact CB-CE2 3.65Å; L57-F69 HydrophobicContact CB-CG 3.93Å; L57-F69 HydrophobicContact CB-CZ 3.94Å; L57-F69 HydrophobicContact CD1-CB 3.61Å; L57-F69 HydrophobicContact CD1-CD1 3.92Å; L57-F69 HydrophobicContact CD1-CD2 4.1Å; L57-F69 HydrophobicContact CD1-CG 3.6Å; L57-F69 HydrophobicContact CG-CG 4.4Å; F58-F69 WeakPolarHBondContact O-CZ 3.48Å; P59-F69 VanDerWaalsContact CA-CE2 3.46Å; P59-F69 HydrophobicContact CB-CE2 3.72Å; P59-F69 HydrophobicContact CB-CZ 4.39Å; P59-F69 HydrophobicContact CG-CE2 4.46Å; T65-F69 PolarHBondContact O-N 3.46Å; F69-P71 VanDerWaalsContact C-N 3.34Å; F69-Q72 HydrophobicContact CB-CB 4.46Å; F69-Q72 HydrophobicContact CD1-CG 4.46Å; F69-Q72 PolarHBondContact O-N 3.36Å; F69-L73 HydrophobicContact CB-CD1 4.1Å; F69-L73 HydrophobicContact CB-CG 4.14Å; F69-L73 WeakPolarHBondContact O-CB 3.32Å; F69-L73 WeakPolarHBondContact O-CG 3.46Å; F69-L73 PolarHBondContact O-N 2.93Å; F69-W130 HydrophobicContact CZ-CB 4.48Å; F69-W154 HydrophobicContact CE1-CH2 4.08Å; F69-W154 HydrophobicContact CE1-CZ2 4.14Å
70	G	96.8	Very high	97.1	Very high	37 Å²	37	39.7 Å²	39.7	38%	0.381	20%	0.204	S	C	.	.	H	α-helix	trans	-46.1	-51.1	176.5	0	0	0	0	0	113.7	Q72 K74	G70-Q72 PolarHBondContact O-N 3.27Å; G70-K74 WeakPolarHBondContact O-CB 3.26Å; G70-K74 PolarHBondContact O-N 3.14Å
71	P	98.1	Very high	97.1	Very high	35 Å²	35	39.7 Å²	39.7	23%	0.227	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-35.2	178.3	-22.3	34.4	0	0	0	114.6	F69 S75 L268 A271 N275	F69-P71 VanDerWaalsContact C-N 3.34Å; P71-S75 VanDerWaalsContact O-CB 3.27Å; P71-S75 WeakPolarHBondContact O-CB 3.3Å; P71-S75 PolarHBondContact O-N 3.05Å; P71-S75 PolarHBondContact O-OG 3.15Å; P71-L268 HydrophobicContact CG-CD2 3.85Å; P71-A271 HydrophobicContact CB-CB 3.56Å; P71-A271 HydrophobicContact CG-CB 4.11Å; P71-N275 PolarHBondContact O-ND2 2.93Å
72	Q	98.4	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-75.1	-47.6	-179	-71.4	65	42.7	0	0	111.2	L57 F69 G70 K74 S75 L76 H267 F274 N275	L57-Q72 HydrophobicContact CD1-CB 3.94Å; F69-Q72 HydrophobicContact CB-CB 4.46Å; F69-Q72 HydrophobicContact CD1-CG 4.46Å; F69-Q72 PolarHBondContact O-N 3.36Å; G70-Q72 PolarHBondContact O-N 3.27Å; Q72-K74 PolarHBondContact O-N 3.11Å; Q72-S75 PolarHBondContact O-N 3.39Å; Q72-L76 HydrophobicContact CB-CD1 3.98Å; Q72-L76 HydrophobicContact CB-CG 4.31Å; Q72-L76 HydrophobicContact CG-CD1 4.42Å; Q72-L76 WeakPolarHBondContact O-CB 3.42Å; Q72-L76 WeakPolarHBondContact O-CG 3.38Å; Q72-L76 PolarHBondContact O-N 2.96Å; Q72-L76 VanDerWaalsContact O-N 3.13Å; Q72-H267 PolarHBondContact NE2-O 3.46Å; Q72-F274 HydrophobicContact CG-CE1 4.35Å; Q72-N275 WeakPolarHBondContact CG-OD1 3.44Å; Q72-N275 PolarHBondContact NE2-OD1 3.45Å
73	L	97.6	Very high	97.1	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.052	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-31.1	174.1	-71.5	170.1	0	0	0	111.4	E46 T48 L57 F69 K78 V83	E46-L73 HydrophobicContact CB-CD1 4.28Å; E46-L73 HydrophobicContact CB-CD2 4.47Å; T48-L73 HydrophobicContact CG2-CD2 4.47Å; T48-L73 PolarHBondContact OG1-O 2.82Å; L57-L73 HydrophobicContact CD1-CD2 4.19Å; L57-L73 HydrophobicContact CD1-CG 4.19Å; F69-L73 HydrophobicContact CB-CD1 4.1Å; F69-L73 HydrophobicContact CB-CG 4.14Å; F69-L73 WeakPolarHBondContact O-CB 3.32Å; F69-L73 WeakPolarHBondContact O-CG 3.46Å; F69-L73 PolarHBondContact O-N 2.93Å; L73-K78 WeakPolarHBondContact O-CE 3.39Å; L73-K78 PolarHBondContact O-NZ 3.15Å; L73-V83 HydrophobicContact CD2-CG1 4.17Å
74	K	96.4	Very high	97.2	Very high	139 Å²	139	39.7 Å²	39.7	60%	0.604	20%	0.201	S	C	*	.	H	α-helix	trans	-77.7	-50.3	174.5	-173.8	175.6	179.9	178.3	0	113.3	G70 Q72 K78	G70-K74 WeakPolarHBondContact O-CB 3.26Å; G70-K74 PolarHBondContact O-N 3.14Å; Q72-K74 PolarHBondContact O-N 3.11Å; K74-K78 VanDerWaalsContact O-CE 3.28Å; K74-K78 WeakPolarHBondContact O-CE 3.25Å
75	S	96.6	Very high	97.2	Very high	73 Å²	73	39.6 Å²	39.6	51%	0.51	20%	0.201	S	C	.	.	H	α-helix	trans	-110.9	-15.6	-156.6	-56.3	0	0	0	0	116	P71 Q72 N77	P71-S75 VanDerWaalsContact O-CB 3.27Å; P71-S75 WeakPolarHBondContact O-CB 3.3Å; P71-S75 PolarHBondContact O-N 3.05Å; P71-S75 PolarHBondContact O-OG 3.15Å; Q72-S75 PolarHBondContact O-N 3.39Å; S75-N77 PolarHBondContact O-N 3.37Å
76	L	97.6	Very high	97.4	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.2	C	C	.	.	S	Bend	trans	-60.8	138.6	174.3	-71.7	175.8	0	0	0	110.6	Q72 K78 V83 L128 N275 V278 E279	Q72-L76 HydrophobicContact CB-CD1 3.98Å; Q72-L76 HydrophobicContact CB-CG 4.31Å; Q72-L76 HydrophobicContact CG-CD1 4.42Å; Q72-L76 WeakPolarHBondContact O-CB 3.42Å; Q72-L76 WeakPolarHBondContact O-CG 3.38Å; Q72-L76 PolarHBondContact O-N 2.96Å; Q72-L76 VanDerWaalsContact O-N 3.13Å; L76-K78 WeakPolarHBondContact O-CD 3.25Å; L76-K78 WeakPolarHBondContact O-CE 3.25Å; L76-K78 PolarHBondContact O-N 3.28Å; L76-K78 VanDerWaalsContact O-N 3.08Å; L76-K78 PolarHBondContact O-NZ 2.89Å; L76-V83 HydrophobicContact CB-CG2 4Å; L76-V83 HydrophobicContact CD1-CG1 4.21Å; L76-V83 HydrophobicContact CD1-CG2 3.96Å; L76-L128 HydrophobicContact CD1-CD2 4.41Å; L76-N275 HydrophobicContact CD2-CB 4.13Å; L76-V278 HydrophobicContact CD2-CG1 4.18Å; L76-E279 WeakPolarHBondContact CA-OE1 3.21Å; L76-E279 HydrophobicContact CD2-CG 3.78Å
77	N	97.1	Very high	97.6	Very high	39 Å²	39	33.5 Å²	33.5	21%	0.209	17%	0.174	C	C	.	.			trans	-53.6	110.2	-172.2	-173.8	-51.6	0	0	0	112.9	S75 E79 R80 F81 E279	S75-N77 PolarHBondContact O-N 3.37Å; N77-E79 VanDerWaalsContact C-N 3.3Å; N77-E79 PolarHBondContact O-N 3.44Å; N77-E79 PolarHBondContact OD1-N 2.82Å; N77-R80 HydrophobicContact CB-CB 4.33Å; N77-R80 HydrophobicContact CB-CG 4.47Å; N77-R80 PolarHBondContact ND2-NH2 2.86Å; N77-R80 PolarHBondContact O-N 2.85Å; N77-R80 PolarHBondContact OD1-N 3.38Å; N77-F81 HydrophobicContact CB-CD2 4.05Å; N77-F81 HydrophobicContact CB-CE2 4.17Å; N77-F81 WeakPolarHBondContact O-CD2 3.48Å; N77-F81 PolarHBondContact O-N 3.2Å; N77-E279 WeakPolarHBondContact CB-OE1 3.29Å; N77-E279 PolarHBondContact N-OE1 3.47Å
78	K	96.3	Very high	97.7	Very high	55 Å²	55	32.4 Å²	32.4	24%	0.239	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.3	-173.2	-55.3	-55.9	173.5	-158.3	0	114.9	T48 G49 Q50 G51 L73 K74 L76	T48-K78 PolarHBondContact OG1-NZ 3.27Å; G49-K78 WeakPolarHBondContact CA-O 3.44Å; Q50-K78 PolarHBondContact N-O 2.78Å; G51-K78 PolarHBondContact N-O 3.4Å; L73-K78 WeakPolarHBondContact O-CE 3.39Å; L73-K78 PolarHBondContact O-NZ 3.15Å; K74-K78 VanDerWaalsContact O-CE 3.28Å; K74-K78 WeakPolarHBondContact O-CE 3.25Å; L76-K78 WeakPolarHBondContact O-CD 3.25Å; L76-K78 WeakPolarHBondContact O-CE 3.25Å; L76-K78 PolarHBondContact O-N 3.28Å; L76-K78 VanDerWaalsContact O-N 3.08Å; L76-K78 PolarHBondContact O-NZ 2.89Å
79	E	96.3	Very high	97.8	Very high	158 Å²	158	34 Å²	34	74%	0.738	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-30.8	176.6	-62	179.6	170.6	0	0	111.5	G51 N77	G51-E79 WeakPolarHBondContact CA-O 3.5Å; N77-E79 VanDerWaalsContact C-N 3.3Å; N77-E79 PolarHBondContact O-N 3.44Å; N77-E79 PolarHBondContact OD1-N 2.82Å
80	R	96.6	Very high	97.8	Very high	109 Å²	109	34 Å²	34	41%	0.411	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-39.3	178.1	-64.1	-174	-152.1	140.8	8.8	112.8	G51 H53 N77 E279 K283	G51-R80 CarbonylContact C-O 3.52Å; G51-R80 VanDerWaalsContact CA-C 3.49Å; G51-R80 WeakPolarHBondContact CA-O 3.13Å; H53-R80 WeakPolarHBondContact CB-O 3.35Å; H53-R80 PolarHBondContact N-O 3.4Å; N77-R80 HydrophobicContact CB-CB 4.33Å; N77-R80 HydrophobicContact CB-CG 4.47Å; N77-R80 PolarHBondContact ND2-NH2 2.86Å; N77-R80 PolarHBondContact O-N 2.85Å; N77-R80 PolarHBondContact OD1-N 3.38Å; R80-E279 IonicContact NH1-OE2 3.51Å; R80-K283 VanDerWaalsContact NH1-CE 3.3Å
81	F	98	Very high	97.9	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.7	-172.8	-51.1	-66.4	0	0	0	112.8	G49 G51 H53 V55 N77 V83 E279 L282	G49-F81 CarbonylContact C-O 3.56Å; G51-F81 PolarHBondContact N-O 3.31Å; H53-F81 HydrophobicContact CB-CD1 3.83Å; H53-F81 HydrophobicContact CB-CE1 4.2Å; H53-F81 AromaticContact CG-CD1 3.9Å; H53-F81 AromaticContact CG-CE1 3.97Å; H53-F81 AromaticContact ND1-CE1 3.75Å; H53-F81 VanDerWaalsContact O-CA 3.25Å; H53-F81 WeakPolarHBondContact O-CA 3.34Å; V55-F81 HydrophobicContact CG2-CB 4.29Å; V55-F81 HydrophobicContact CG2-CD1 3.81Å; V55-F81 HydrophobicContact CG2-CG 4.27Å; N77-F81 HydrophobicContact CB-CD2 4.05Å; N77-F81 HydrophobicContact CB-CE2 4.17Å; N77-F81 WeakPolarHBondContact O-CD2 3.48Å; N77-F81 PolarHBondContact O-N 3.2Å; F81-V83 HydrophobicContact CB-CG2 3.82Å; F81-E279 HydrophobicContact CE2-CB 4.34Å; F81-E279 HydrophobicContact CE2-CG 3.83Å; F81-L282 HydrophobicContact CE1-CB 3.82Å; F81-L282 HydrophobicContact CE1-CD1 4.23Å; F81-L282 HydrophobicContact CZ-CB 3.87Å; F81-L282 HydrophobicContact CZ-CD1 4.49Å
82	T	98.4	Very high	97.9	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.067	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110.2	154.5	-72.6	0	0	0	0	107.1	Q47 G49 Q50 G51 H53 A54 V55 F122	Q47-T82 HydrophobicContact CG-CG2 3.73Å; G49-T82 PolarHBondContact O-OG1 3.02Å; Q50-T82 WeakPolarHBondContact CA-OG1 3.49Å; G51-T82 PolarHBondContact N-OG1 3.35Å; G51-T82 PolarHBondContact O-N 3.24Å; G51-T82 PolarHBondContact O-OG1 2.76Å; H53-T82 PolarHBondContact O-N 2.78Å; H53-T82 VanDerWaalsContact O-N 3.08Å; A54-T82 CarbonylContact C-O 3.58Å; A54-T82 VanDerWaalsContact CA-O 3.29Å; A54-T82 WeakPolarHBondContact CA-O 3.42Å; V55-T82 PolarHBondContact N-O 3Å; T82-F122 HydrophobicContact CG2-CE1 3.98Å; T82-F122 HydrophobicContact CG2-CZ 3.62Å
83	V	98.6	Very high	97.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124	-173.3	-175.5	0	0	0	0	109	Q47 T48 V55 L57 L73 L76 F81	Q47-V83 CarbonylContact C-O 3.46Å; Q47-V83 VanDerWaalsContact CA-O 3.29Å; Q47-V83 WeakPolarHBondContact CA-O 3.35Å; T48-V83 PolarHBondContact N-O 2.76Å; T48-V83 PolarHBondContact O-N 3.31Å; V55-V83 WeakPolarHBondContact O-CA 3.33Å; L57-V83 HydrophobicContact CD1-CG1 3.67Å; L57-V83 HydrophobicContact CD2-CG1 3.95Å; L57-V83 HydrophobicContact CG-CG1 3.79Å; L73-V83 HydrophobicContact CD2-CG1 4.17Å; L76-V83 HydrophobicContact CB-CG2 4Å; L76-V83 HydrophobicContact CD1-CG1 4.21Å; L76-V83 HydrophobicContact CD1-CG2 3.96Å; F81-V83 HydrophobicContact CB-CG2 3.82Å
84	V	98.8	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.7	176.8	-178.4	0	0	0	0	108.3	Y45 E46 Q47 V55 L56 L57 M117 L120 F122	Y45-V84 HydrophobicContact CD2-CG1 4.2Å; E46-V84 CarbonylContact O-C 3.56Å; E46-V84 VanDerWaalsContact O-CA 3.3Å; E46-V84 WeakPolarHBondContact O-CA 3.15Å; Q47-V84 HydrophobicContact CB-CG2 4.31Å; Q47-V84 HydrophobicContact CG-CG2 4.04Å; V55-V84 PolarHBondContact O-N 2.95Å; L56-V84 CarbonylContact C-O 3.47Å; L56-V84 WeakPolarHBondContact CA-O 3.13Å; L56-V84 HydrophobicContact CD1-CB 4.27Å; L56-V84 HydrophobicContact CD1-CG1 4.06Å; L57-V84 PolarHBondContact N-O 3.12Å; V84-M117 HydrophobicContact CB-SD 3.88Å; V84-M117 HydrophobicContact CG1-SD 4.03Å; V84-M117 HydrophobicContact CG2-CE 4.27Å; V84-M117 HydrophobicContact CG2-SD 3.92Å; V84-L120 HydrophobicContact CG1-CD1 4.14Å; V84-F122 HydrophobicContact CG2-CE2 3.89Å; V84-F122 HydrophobicContact CG2-CZ 4.34Å
85	G	98.6	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	147.3	161.1	0	0	0	0	0	109.2	Y45 E46 T65	Y45-G85 CarbonylContact C-O 3.5Å; Y45-G85 WeakPolarHBondContact CA-O 3.24Å; Y45-G85 VanDerWaalsContact CB-O 3.3Å; Y45-G85 WeakPolarHBondContact CB-O 3.25Å; E46-G85 PolarHBondContact N-O 3.18Å; E46-G85 PolarHBondContact O-N 2.99Å; T65-G85 WeakPolarHBondContact CG2-O 3.39Å
86	W	98.8	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159	177.1	75.7	-59.2	0	0	0	111.3	L43 Y44 L56 F58 P88 D109 D112 L116	L43-W86 HydrophobicContact CD1-CE3 4.07Å; L43-W86 HydrophobicContact CD1-CZ3 3.88Å; L43-W86 HydrophobicContact CD2-CZ3 4.34Å; Y44-W86 WeakPolarHBondContact O-CA 3.38Å; L56-W86 HydrophobicContact CD1-CB 4.45Å; L56-W86 HydrophobicContact CD1-CG 4.1Å; F58-W86 AromaticContact CD1-CE2 3.8Å; F58-W86 AromaticContact CD1-CZ2 3.62Å; F58-W86 HydrophobicContact CD1-CZ2 3.62Å; F58-W86 AromaticContact CD1-NE1 3.37Å; F58-W86 AromaticContact CE1-CE2 3.86Å; F58-W86 AromaticContact CE1-CZ2 3.52Å; F58-W86 HydrophobicContact CE1-CZ2 3.52Å; F58-W86 AromaticContact CE1-NE1 3.7Å; F58-W86 AromaticContact CG-NE1 3.86Å; W86-P88 HydrophobicContact CH2-CB 4.01Å; W86-P88 HydrophobicContact CH2-CG 4.11Å; W86-P88 HydrophobicContact CZ2-CB 4.33Å; W86-P88 HydrophobicContact CZ2-CG 3.93Å; W86-P88 HydrophobicContact CZ3-CB 4.27Å; W86-D109 HydrophobicContact CH2-CB 4.3Å; W86-D109 VanDerWaalsContact CH2-O 3.25Å; W86-D109 WeakPolarHBondContact CH2-O 3.46Å; W86-D112 HydrophobicContact CH2-CB 3.84Å; W86-D112 HydrophobicContact CZ3-CB 3.73Å; W86-L116 HydrophobicContact CB-CD2 3.48Å; W86-L116 VanDerWaalsContact CB-CD2 3.48Å; W86-L116 HydrophobicContact CD2-CD2 4.24Å; W86-L116 HydrophobicContact CE3-CD2 4.12Å; W86-L116 HydrophobicContact CG-CD2 4.01Å
87	D	98.8	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-102.2	116.7	172.2	-66.2	-4.8	0	0	0	108	Y44 S64 T65 G92 Q93 S94	Y44-D87 WeakPolarHBondContact CD1-OD2 3.38Å; Y44-D87 PolarHBondContact O-N 3.2Å; S64-D87 VanDerWaalsContact CA-OD1 3.24Å; S64-D87 WeakPolarHBondContact CA-OD1 3.04Å; S64-D87 WeakPolarHBondContact CB-OD1 3.49Å; T65-D87 PolarHBondContact N-OD1 2.87Å; D87-G92 WeakPolarHBondContact OD2-CA 3.36Å; D87-Q93 PolarHBondContact OD2-N 3.14Å; D87-S94 WeakPolarHBondContact CB-OG 3.39Å; D87-S94 VanDerWaalsContact O-CB 3.25Å; D87-S94 WeakPolarHBondContact O-CB 3.4Å; D87-S94 PolarHBondContact O-OG 2.99Å
88	P	98.9	Very high	98	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.032	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-55.1	153.5	172.5	-26.8	34.6	0	0	0	112.1	P59 W86 G90 Y91 S94	P59-P88 VanDerWaalsContact CG-CD 3.41Å; P59-P88 HydrophobicContact CG-CG 3.79Å; W86-P88 HydrophobicContact CH2-CB 4.01Å; W86-P88 HydrophobicContact CH2-CG 4.11Å; W86-P88 HydrophobicContact CZ2-CB 4.33Å; W86-P88 HydrophobicContact CZ2-CG 3.93Å; W86-P88 HydrophobicContact CZ3-CB 4.27Å; P88-G90 PolarHBondContact O-N 2.72Å; P88-Y91 HydrophobicContact CB-CD2 3.8Å; P88-Y91 HydrophobicContact CB-CE2 4.43Å; P88-Y91 HydrophobicContact CB-CG 4.47Å; P88-Y91 HydrophobicContact CG-CD2 3.9Å; P88-Y91 WeakPolarHBondContact O-CB 3.47Å; P88-Y91 PolarHBondContact O-N 3.28Å; P88-S94 WeakPolarHBondContact O-CB 3.3Å
89	R	98.8	Very high	98.2	Very high	36 Å²	36	37.3 Å²	37.3	14%	0.136	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	131.9	179.8	65.9	170.8	70.7	-160.6	-3.1	110.7	V41 L43 Y91 R99 D112	V41-R89 HydrophobicContact CG2-CB 4.32Å; L43-R89 HydrophobicContact CD2-CB 4.12Å; R89-Y91 PolarHBondContact O-N 2.93Å; R89-R99 WeakPolarHBondContact O-CD 3.26Å; R89-R99 PolarHBondContact O-NH1 3.49Å; R89-D112 IonicContact CZ-OD1 3.89Å; R89-D112 IonicContact CZ-OD2 3.12Å; R89-D112 IonicContact NE-OD2 2.66Å; R89-D112 PolarHBondContact NE-OD2 2.91Å; R89-D112 IonicContact NH2-OD1 2.83Å; R89-D112 PolarHBondContact NH2-OD1 2.77Å; R89-D112 IonicContact NH2-OD2 2.78Å; R89-D112 PolarHBondContact NH2-OD2 3.36Å
90	G	98.5	Very high	98.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-6.7	-177.8	0	0	0	0	0	116.1	P88 S94 P97	P88-G90 PolarHBondContact O-N 2.72Å; G90-S94 PolarHBondContact N-O 2.92Å; G90-P97 VanDerWaalsContact CA-O 3.26Å; G90-P97 WeakPolarHBondContact CA-O 3.17Å
91	Y	98.8	Very high	98.4	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.016	16%	0.155	C	C	.	.	S	Bend	trans	-102.8	159.8	170.9	-66	-19	0	0	0	111.9	L62 P88 R89 Q93 S94 R99 F101 Y189 I197	L62-Y91 HydrophobicContact CB-CE1 4.3Å; L62-Y91 HydrophobicContact CD1-CE1 4.02Å; L62-Y91 HydrophobicContact CG-CD1 4.44Å; L62-Y91 HydrophobicContact CG-CE1 3.88Å; L62-Y91 VanDerWaalsContact N-CE2 3.33Å; L62-Y91 PolarHBondContact N-OH 3.46Å; P88-Y91 HydrophobicContact CB-CD2 3.8Å; P88-Y91 HydrophobicContact CB-CE2 4.43Å; P88-Y91 HydrophobicContact CB-CG 4.47Å; P88-Y91 HydrophobicContact CG-CD2 3.9Å; P88-Y91 WeakPolarHBondContact O-CB 3.47Å; P88-Y91 PolarHBondContact O-N 3.28Å; R89-Y91 PolarHBondContact O-N 2.93Å; Y91-Q93 PolarHBondContact O-N 2.81Å; Y91-S94 WeakPolarHBondContact O-CA 3.41Å; Y91-S94 WeakPolarHBondContact O-CB 3.17Å; Y91-S94 PolarHBondContact O-N 3.34Å; Y91-R99 HydrophobicContact CD1-CB 4.32Å; Y91-R99 HydrophobicContact CD1-CG 4.07Å; Y91-R99 HydrophobicContact CE1-CB 4.17Å; Y91-R99 HydrophobicContact CE1-CG 3.54Å; Y91-F101 HydrophobicContact CE1-CZ 4.33Å; Y91-F101 WeakPolarHBondContact OH-CE1 3.42Å; Y91-F101 WeakPolarHBondContact OH-CZ 3.49Å; Y91-Y189 WeakPolarHBondContact CA-OH 3.47Å; Y91-Y189 WeakPolarHBondContact CB-OH 3.39Å; Y91-I197 HydrophobicContact CE1-CG2 4.03Å
92	G	98	Very high	98.4	Very high	9 Å²	9	31 Å²	31	9%	0.093	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	-123.2	176.7	0	0	0	0	0	113.3	D87 Y189	D87-G92 WeakPolarHBondContact OD2-CA 3.36Å; G92-Y189 PolarHBondContact N-OH 3.15Å
93	Q	98.1	Very high	98.4	Very high	94 Å²	94	33.6 Å²	33.6	44%	0.439	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.4	178.9	-67.5	-176.4	74.9	0	0	113.4	K35 Y44 D87 Y91 R95	K35-Q93 WeakPolarHBondContact CE-O 3.37Å; K35-Q93 PolarHBondContact NZ-O 3.42Å; Y44-Q93 HydrophobicContact CD1-CB 3.9Å; Y44-Q93 HydrophobicContact CD1-CG 4.46Å; Y44-Q93 HydrophobicContact CD2-CB 3.88Å; Y44-Q93 HydrophobicContact CG-CB 3.53Å; Y44-Q93 HydrophobicContact CG-CG 4.42Å; Y44-Q93 PolarHBondContact OH-NE2 3.17Å; D87-Q93 PolarHBondContact OD2-N 3.14Å; Y91-Q93 PolarHBondContact O-N 2.81Å; Q93-R95 PolarHBondContact O-N 3.07Å
94	S	98.7	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.			trans	-78.3	41.7	172.8	-67	0	0	0	0	112.8	L43 Y44 D87 P88 G90 Y91	L43-S94 WeakPolarHBondContact CA-OG 3.13Å; Y44-S94 PolarHBondContact N-OG 3.35Å; D87-S94 WeakPolarHBondContact CB-OG 3.39Å; D87-S94 VanDerWaalsContact O-CB 3.25Å; D87-S94 WeakPolarHBondContact O-CB 3.4Å; D87-S94 PolarHBondContact O-OG 2.99Å; P88-S94 WeakPolarHBondContact O-CB 3.3Å; G90-S94 PolarHBondContact N-O 2.92Å; Y91-S94 WeakPolarHBondContact O-CA 3.41Å; Y91-S94 WeakPolarHBondContact O-CB 3.17Å; Y91-S94 PolarHBondContact O-N 3.34Å
95	R	97.3	Very high	98.4	Very high	72 Å²	72	37.3 Å²	37.3	27%	0.272	20%	0.204	S	C	.	.			trans	-122.1	138.7	177.4	-63.5	175.5	65.4	-156.3	2.2	109	K35 Q93 D98	K35-R95 PolarHBondContact NZ-O 3.49Å; K35-R95 VanDerWaalsContact NZ-O 3.11Å; Q93-R95 PolarHBondContact O-N 3.07Å; R95-D98 IonicContact CZ-OD1 3.26Å; R95-D98 IonicContact NE-OD1 3.14Å; R95-D98 PolarHBondContact NE-OD1 2.74Å; R95-D98 IonicContact NH2-OD1 2.73Å; R95-D98 PolarHBondContact NH2-OD1 2.85Å
96	P	97.6	Very high	98.4	Very high	108 Å²	108	37.3 Å²	37.3	70%	0.701	20%	0.204	S	C	*	.	S	Bend	cis	-63.8	163.9	-10.5	30.4	-37	0	0	0	113
97	P	97.6	Very high	98.4	Very high	49 Å²	49	38.4 Å²	38.4	32%	0.318	21%	0.209	S	C	.	.	S	Bend	cis	-77.1	172.2	2.6	34.4	-36.8	0	0	0	112.7	V41 G90	V41-P97 HydrophobicContact CG1-CG 3.97Å; G90-P97 VanDerWaalsContact CA-O 3.26Å; G90-P97 WeakPolarHBondContact CA-O 3.17Å
98	D	97.8	Very high	98.4	Very high	111 Å²	111	40.2 Å²	40.2	59%	0.594	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-75.3	155.3	163.5	-75.1	-33.4	0	0	0	110.4	R95	R95-D98 IonicContact CZ-OD1 3.26Å; R95-D98 IonicContact NE-OD1 3.14Å; R95-D98 PolarHBondContact NE-OD1 2.74Å; R95-D98 IonicContact NH2-OD1 2.73Å; R95-D98 PolarHBondContact NH2-OD1 2.85Å
99	R	98.6	Very high	98.4	Very high	13 Å²	13	40.3 Å²	40.3	5%	0.049	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-72	133.7	-176.6	-170.6	72.5	-177.4	175.4	-0.1	112.2	R89 Y91 F101 D109 I197	R89-R99 WeakPolarHBondContact O-CD 3.26Å; R89-R99 PolarHBondContact O-NH1 3.49Å; Y91-R99 HydrophobicContact CD1-CB 4.32Å; Y91-R99 HydrophobicContact CD1-CG 4.07Å; Y91-R99 HydrophobicContact CE1-CB 4.17Å; Y91-R99 HydrophobicContact CE1-CG 3.54Å; R99-F101 HydrophobicContact CG-CD2 4.47Å; R99-F101 HydrophobicContact CG-CE1 4.08Å; R99-F101 HydrophobicContact CG-CE2 3.72Å; R99-F101 HydrophobicContact CG-CZ 3.49Å; R99-F101 VanDerWaalsContact CG-CZ 3.49Å; R99-D109 IonicContact CZ-OD1 2.7Å; R99-D109 IonicContact CZ-OD2 2.7Å; R99-D109 IonicContact NH1-OD1 3.93Å; R99-D109 PolarHBondContact NH1-OD1 3.21Å; R99-D109 IonicContact NH1-OD2 3.57Å; R99-D109 PolarHBondContact NH1-OD2 3.22Å; R99-D109 IonicContact NH2-OD1 2.82Å; R99-D109 PolarHBondContact NH2-OD1 2.86Å; R99-D109 IonicContact NH2-OD2 3.18Å; R99-D109 PolarHBondContact NH2-OD2 3.25Å; R99-I197 HydrophobicContact CB-CG2 4.02Å; R99-I197 HydrophobicContact CG-CG2 4.29Å
100	D	98.5	Very high	98.4	Very high	77 Å²	77	38.7 Å²	38.7	41%	0.412	21%	0.211	S	C	.	.			trans	-125.9	163.7	166.1	67.6	-24.9	0	0	0	110.9	R108	D100-R108 PolarHBondContact O-NH2 2.86Å; D100-R108 IonicContact OD1-CZ 3.21Å; D100-R108 IonicContact OD1-NH1 2.79Å; D100-R108 PolarHBondContact OD1-NH1 2.85Å; D100-R108 IonicContact OD1-NH2 3.67Å; D100-R108 PolarHBondContact OD1-NH2 3.42Å; D100-R108 IonicContact OD2-NH1 3.16Å; D100-R108 PolarHBondContact OD2-NH1 3.27Å; D100-R108 VanDerWaalsContact OD2-NH1 3.16Å
101	F	98.8	Very high	98.4	Very high	24 Å²	24	43.8 Å²	43.8	11%	0.105	23%	0.233	C	C	.	.			trans	-129.2	63.9	-176.2	-60.1	-86.1	0	0	0	112	Y91 R99 F105 I197 N200 W201 Q207	Y91-F101 HydrophobicContact CE1-CZ 4.33Å; Y91-F101 WeakPolarHBondContact OH-CE1 3.42Å; Y91-F101 WeakPolarHBondContact OH-CZ 3.49Å; R99-F101 HydrophobicContact CG-CD2 4.47Å; R99-F101 HydrophobicContact CG-CE1 4.08Å; R99-F101 HydrophobicContact CG-CE2 3.72Å; R99-F101 HydrophobicContact CG-CZ 3.49Å; R99-F101 VanDerWaalsContact CG-CZ 3.49Å; F101-F105 HydrophobicContact CB-CD1 3.95Å; F101-F105 HydrophobicContact CB-CE1 4.29Å; F101-F105 HydrophobicContact CB-CG 4.39Å; F101-F105 HydrophobicContact CD1-CD1 4.1Å; F101-F105 AromaticContact CD1-CD2 3.95Å; F101-F105 HydrophobicContact CD1-CD2 3.95Å; F101-F105 HydrophobicContact CD1-CE1 4.12Å; F101-F105 AromaticContact CD1-CE2 3.97Å; F101-F105 HydrophobicContact CD1-CE2 3.97Å; F101-F105 HydrophobicContact CD1-CG 4.02Å; F101-F105 HydrophobicContact CD1-CZ 4.06Å; F101-F105 HydrophobicContact CE1-CE2 4.44Å; F101-I197 HydrophobicContact CE2-CG2 4.45Å; F101-I197 HydrophobicContact CZ-CG2 4.41Å; F101-N200 HydrophobicContact CD2-CB 3.86Å; F101-N200 WeakPolarHBondContact CD2-O 3.39Å; F101-N200 HydrophobicContact CE2-CB 3.8Å; F101-W201 HydrophobicContact CE1-CB 3.96Å; F101-W201 AromaticContact CE1-CD1 3.72Å; F101-W201 HydrophobicContact CE1-CG 4.26Å; F101-W201 HydrophobicContact CE2-CB 3.99Å; F101-W201 HydrophobicContact CZ-CB 3.55Å; F101-W201 HydrophobicContact CZ-CG 4.29Å; F101-Q207 PolarHBondContact O-NE2 2.91Å
102	P	98.7	Very high	98.4	Very high	39 Å²	39	43.7 Å²	43.7	25%	0.253	23%	0.233	S	C	.	.			trans	-60.4	165.9	172.5	30.7	-38.4	0	0	0	110.9	D104 F105	P102-D104 WeakPolarHBondContact CB-OD1 3.25Å; P102-D104 WeakPolarHBondContact CG-OD1 3.28Å; P102-D104 PolarHBondContact O-N 3.13Å; P102-F105 HydrophobicContact CG-CB 4.11Å; P102-F105 WeakPolarHBondContact O-CB 3.5Å; P102-F105 VanDerWaalsContact O-CD1 3.23Å; P102-F105 WeakPolarHBondContact O-CD1 3.48Å; P102-F105 PolarHBondContact O-N 2.87Å
103	S	98.1	Very high	98.5	Very high	65 Å²	65	43.2 Å²	43.2	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.3	-176.2	57.1	0	0	0	0	115	Q207 R211	S103-Q207 VanDerWaalsContact CA-OE1 3.29Å; S103-R211 PolarHBondContact O-NH2 3.38Å
104	D	98.4	Very high	98.5	Very high	77 Å²	77	38.8 Å²	38.8	41%	0.412	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	21.5	179.9	70.4	-29.9	0	0	0	113.1	P102 F106 E107 R108	P102-D104 WeakPolarHBondContact CB-OD1 3.25Å; P102-D104 WeakPolarHBondContact CG-OD1 3.28Å; P102-D104 PolarHBondContact O-N 3.13Å; D104-F106 VanDerWaalsContact C-N 3.26Å; D104-F106 PolarHBondContact O-N 3.01Å; D104-E107 WeakPolarHBondContact CA-OE2 3.47Å; D104-E107 HydrophobicContact CB-CB 4.37Å; D104-E107 WeakPolarHBondContact O-CB 3.42Å; D104-E107 PolarHBondContact O-N 2.88Å; D104-E107 VanDerWaalsContact O-N 3.09Å; D104-R108 WeakPolarHBondContact O-CB 3.23Å; D104-R108 PolarHBondContact O-N 3.16Å
105	F	98.8	Very high	98.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-32.6	-171	76	-100.6	0	0	0	113.5	F101 P102 D109 F208	F101-F105 HydrophobicContact CB-CD1 3.95Å; F101-F105 HydrophobicContact CB-CE1 4.29Å; F101-F105 HydrophobicContact CB-CG 4.39Å; F101-F105 HydrophobicContact CD1-CD1 4.1Å; F101-F105 AromaticContact CD1-CD2 3.95Å; F101-F105 HydrophobicContact CD1-CD2 3.95Å; F101-F105 HydrophobicContact CD1-CE1 4.12Å; F101-F105 AromaticContact CD1-CE2 3.97Å; F101-F105 HydrophobicContact CD1-CE2 3.97Å; F101-F105 HydrophobicContact CD1-CG 4.02Å; F101-F105 HydrophobicContact CD1-CZ 4.06Å; F101-F105 HydrophobicContact CE1-CE2 4.44Å; P102-F105 HydrophobicContact CG-CB 4.11Å; P102-F105 WeakPolarHBondContact O-CB 3.5Å; P102-F105 VanDerWaalsContact O-CD1 3.23Å; P102-F105 WeakPolarHBondContact O-CD1 3.48Å; P102-F105 PolarHBondContact O-N 2.87Å; F105-D109 PolarHBondContact O-N 2.9Å; F105-F208 HydrophobicContact CD1-CE2 4.36Å; F105-F208 HydrophobicContact CD1-CZ 4.4Å; F105-F208 AromaticContact CE1-CE2 3.51Å; F105-F208 HydrophobicContact CE1-CE2 3.51Å; F105-F208 AromaticContact CE1-CZ 3.95Å; F105-F208 HydrophobicContact CE1-CZ 3.95Å; F105-F208 AromaticContact CZ-CE2 3.98Å; F105-F208 HydrophobicContact CZ-CE2 3.98Å
106	F	98.9	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.9	-40.3	175	-74.2	-59	0	0	0	112	D104 R108 D109 A110 D132 I135 I139 I205 F208 I216	D104-F106 VanDerWaalsContact C-N 3.26Å; D104-F106 PolarHBondContact O-N 3.01Å; F106-R108 VanDerWaalsContact C-N 3.32Å; F106-D109 PolarHBondContact O-N 3.09Å; F106-A110 WeakPolarHBondContact O-CB 3.28Å; F106-A110 PolarHBondContact O-N 2.79Å; F106-D132 HydrophobicContact CE1-CB 3.71Å; F106-D132 HydrophobicContact CZ-CB 4.34Å; F106-I135 HydrophobicContact CB-CG2 4.36Å; F106-I135 HydrophobicContact CD1-CB 4.12Å; F106-I135 HydrophobicContact CD1-CG2 3.99Å; F106-I135 HydrophobicContact CD2-CG2 3.95Å; F106-I135 HydrophobicContact CE1-CB 4.04Å; F106-I135 HydrophobicContact CE1-CD1 4.05Å; F106-I135 HydrophobicContact CE1-CG2 4.19Å; F106-I135 HydrophobicContact CE2-CD1 4.02Å; F106-I135 HydrophobicContact CE2-CG2 4.15Å; F106-I135 HydrophobicContact CG-CG2 3.87Å; F106-I135 HydrophobicContact CZ-CB 4.35Å; F106-I135 HydrophobicContact CZ-CD1 3.59Å; F106-I135 HydrophobicContact CZ-CG2 4.28Å; F106-I139 HydrophobicContact CB-CD1 3.47Å; F106-I139 VanDerWaalsContact CB-CD1 3.47Å; F106-I139 HydrophobicContact CG-CD1 4.47Å; F106-I205 HydrophobicContact CE2-CD1 3.71Å; F106-I205 HydrophobicContact CZ-CD1 3.88Å; F106-F208 AromaticContact CD2-CE2 3.89Å; F106-F208 HydrophobicContact CD2-CE2 3.89Å; F106-F208 AromaticContact CD2-CZ 3.73Å; F106-F208 HydrophobicContact CD2-CZ 3.73Å; F106-F208 AromaticContact CE2-CE2 3.73Å; F106-F208 HydrophobicContact CE2-CE2 3.73Å; F106-F208 HydrophobicContact CE2-CZ 4.07Å; F106-I216 HydrophobicContact CD2-CG2 3.59Å; F106-I216 HydrophobicContact CE2-CD1 4.47Å; F106-I216 HydrophobicContact CE2-CG2 3.9Å
107	E	98.9	Very high	98.7	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.112	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-39.6	174	-67.5	78.7	176.2	0	0	111.8	D104 A110 K111 I139 R143	D104-E107 WeakPolarHBondContact CA-OE2 3.47Å; D104-E107 HydrophobicContact CB-CB 4.37Å; D104-E107 WeakPolarHBondContact O-CB 3.42Å; D104-E107 PolarHBondContact O-N 2.88Å; D104-E107 VanDerWaalsContact O-N 3.09Å; E107-A110 PolarHBondContact O-N 2.66Å; E107-K111 WeakPolarHBondContact O-CB 3.44Å; E107-K111 PolarHBondContact O-N 2.78Å; E107-I139 HydrophobicContact CG-CG2 4.21Å; E107-R143 VanDerWaalsContact CG-NH2 3.26Å
108	R	98.9	Very high	98.7	Very high	37 Å²	37	33.6 Å²	33.6	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-46.8	176.6	-174.4	177.7	67.4	171.3	4.4	111.1	D100 D104 F106 A110 K111 D112	D100-R108 PolarHBondContact O-NH2 2.86Å; D100-R108 IonicContact OD1-CZ 3.21Å; D100-R108 IonicContact OD1-NH1 2.79Å; D100-R108 PolarHBondContact OD1-NH1 2.85Å; D100-R108 IonicContact OD1-NH2 3.67Å; D100-R108 PolarHBondContact OD1-NH2 3.42Å; D100-R108 IonicContact OD2-NH1 3.16Å; D100-R108 PolarHBondContact OD2-NH1 3.27Å; D100-R108 VanDerWaalsContact OD2-NH1 3.16Å; D104-R108 WeakPolarHBondContact O-CB 3.23Å; D104-R108 PolarHBondContact O-N 3.16Å; F106-R108 VanDerWaalsContact C-N 3.32Å; R108-A110 VanDerWaalsContact C-N 3.34Å; R108-K111 PolarHBondContact O-N 2.83Å; R108-D112 PolarHBondContact O-N 2.69Å
109	D	98.9	Very high	98.7	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-37	176	-74	-6.2	0	0	0	112	W86 R99 F105 F106 K111 D112 G113 T136	W86-D109 HydrophobicContact CH2-CB 4.3Å; W86-D109 VanDerWaalsContact CH2-O 3.25Å; W86-D109 WeakPolarHBondContact CH2-O 3.46Å; R99-D109 IonicContact CZ-OD1 2.7Å; R99-D109 IonicContact CZ-OD2 2.7Å; R99-D109 IonicContact NH1-OD1 3.93Å; R99-D109 PolarHBondContact NH1-OD1 3.21Å; R99-D109 IonicContact NH1-OD2 3.57Å; R99-D109 PolarHBondContact NH1-OD2 3.22Å; R99-D109 IonicContact NH2-OD1 2.82Å; R99-D109 PolarHBondContact NH2-OD1 2.86Å; R99-D109 IonicContact NH2-OD2 3.18Å; R99-D109 PolarHBondContact NH2-OD2 3.25Å; F105-D109 PolarHBondContact O-N 2.9Å; F106-D109 PolarHBondContact O-N 3.09Å; D109-K111 VanDerWaalsContact C-N 3.32Å; D109-K111 PolarHBondContact O-N 2.99Å; D109-D112 PolarHBondContact O-N 2.9Å; D109-G113 PolarHBondContact O-N 3.01Å; D109-T136 HydrophobicContact CB-CG2 3.78Å
110	A	98.9	Very high	98.7	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-42.1	176.6	0	0	0	0	0	111	F106 E107 R108 V114 T136 I139 A140	F106-A110 WeakPolarHBondContact O-CB 3.28Å; F106-A110 PolarHBondContact O-N 2.79Å; E107-A110 PolarHBondContact O-N 2.66Å; R108-A110 VanDerWaalsContact C-N 3.34Å; A110-V114 WeakPolarHBondContact O-CB 3.24Å; A110-V114 VanDerWaalsContact O-CG2 3.3Å; A110-V114 WeakPolarHBondContact O-CG2 3.09Å; A110-V114 PolarHBondContact O-N 2.94Å; A110-V114 VanDerWaalsContact O-N 3.15Å; A110-T136 VanDerWaalsContact CA-CG2 3.48Å; A110-T136 HydrophobicContact CB-CG2 3.84Å; A110-T136 WeakPolarHBondContact CB-O 3.42Å; A110-T136 VanDerWaalsContact N-CG2 3.3Å; A110-I139 HydrophobicContact CB-CB 3.99Å; A110-I139 HydrophobicContact CB-CG2 3.72Å; A110-A140 HydrophobicContact CB-CB 4.08Å
111	K	98.9	Very high	98.7	Very high	107 Å²	107	31.8 Å²	31.8	47%	0.465	18%	0.179	S	C	.	.	H	α-helix	trans	-62.6	-46.2	174.2	-172.6	-174.4	-173.9	-57.5	0	111.3	N39 E107 R108 D109 V114 D115	N39-K111 PolarHBondContact ND2-NZ 3.34Å; N39-K111 PolarHBondContact OD1-NZ 2.91Å; E107-K111 WeakPolarHBondContact O-CB 3.44Å; E107-K111 PolarHBondContact O-N 2.78Å; R108-K111 PolarHBondContact O-N 2.83Å; D109-K111 VanDerWaalsContact C-N 3.32Å; D109-K111 PolarHBondContact O-N 2.99Å; K111-V114 PolarHBondContact O-N 3.43Å; K111-D115 WeakPolarHBondContact CG-OD2 3.38Å; K111-D115 IonicContact NZ-OD2 2.66Å; K111-D115 PolarHBondContact NZ-OD2 3.44Å; K111-D115 WeakPolarHBondContact O-CB 3.3Å; K111-D115 VanDerWaalsContact O-CG 3.27Å; K111-D115 PolarHBondContact O-N 3.01Å
112	D	98.9	Very high	98.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-48.3	179.5	-77.8	-8.4	0	0	0	112.7	N39 L43 W86 R89 R108 D109 V114 D115 L116	N39-D112 WeakPolarHBondContact CB-OD1 3.35Å; N39-D112 PolarHBondContact ND2-OD1 2.99Å; L43-D112 HydrophobicContact CD1-CB 3.91Å; W86-D112 HydrophobicContact CH2-CB 3.84Å; W86-D112 HydrophobicContact CZ3-CB 3.73Å; R89-D112 IonicContact CZ-OD1 3.89Å; R89-D112 IonicContact CZ-OD2 3.12Å; R89-D112 IonicContact NE-OD2 2.66Å; R89-D112 PolarHBondContact NE-OD2 2.91Å; R89-D112 IonicContact NH2-OD1 2.83Å; R89-D112 PolarHBondContact NH2-OD1 2.77Å; R89-D112 IonicContact NH2-OD2 2.78Å; R89-D112 PolarHBondContact NH2-OD2 3.36Å; R108-D112 PolarHBondContact O-N 2.69Å; D109-D112 PolarHBondContact O-N 2.9Å; D112-V114 VanDerWaalsContact C-N 3.35Å; D112-V114 PolarHBondContact O-N 3Å; D112-D115 PolarHBondContact O-N 3.04Å; D112-L116 VanDerWaalsContact O-CB 3.28Å; D112-L116 WeakPolarHBondContact O-CB 3.25Å; D112-L116 PolarHBondContact O-N 2.94Å
113	G	98.8	Very high	98.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-41.3	179.2	0	0	0	0	0	112.4	L56 D109 M117	L56-G113 WeakPolarHBondContact CD2-O 3.43Å; D109-G113 PolarHBondContact O-N 3.01Å; G113-M117 WeakPolarHBondContact O-CG 3.34Å; G113-M117 PolarHBondContact O-N 3.24Å; G113-M117 VanDerWaalsContact O-N 3.15Å
114	V	98.9	Very high	98.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-45.1	176	169.4	0	0	0	0	111.6	A110 K111 D112 L116 M117 K118 F125 A140 L147	A110-V114 WeakPolarHBondContact O-CB 3.24Å; A110-V114 VanDerWaalsContact O-CG2 3.3Å; A110-V114 WeakPolarHBondContact O-CG2 3.09Å; A110-V114 PolarHBondContact O-N 2.94Å; A110-V114 VanDerWaalsContact O-N 3.15Å; K111-V114 PolarHBondContact O-N 3.43Å; D112-V114 VanDerWaalsContact C-N 3.35Å; D112-V114 PolarHBondContact O-N 3Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-M117 PolarHBondContact O-N 3.38Å; V114-K118 HydrophobicContact CG1-CD 4.36Å; V114-K118 WeakPolarHBondContact O-CG 3.25Å; V114-K118 PolarHBondContact O-N 2.9Å; V114-F125 HydrophobicContact CG1-CZ 4.5Å; V114-F125 HydrophobicContact CG2-CZ 4.3Å; V114-A140 HydrophobicContact CG2-CB 3.79Å; V114-L147 HydrophobicContact CG1-CD1 3.86Å
115	D	98.9	Very high	98.6	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.144	19%	0.189	C	C	.	.	H	α-helix	trans	-71.8	-28.7	-178.8	-69.3	-21	0	0	0	112.3	V38 N39 K111 D112 K118 T119	V38-D115 HydrophobicContact CG1-CB 3.66Å; N39-D115 PolarHBondContact ND2-OD2 3.42Å; N39-D115 VanDerWaalsContact ND2-OD2 3.16Å; N39-D115 PolarHBondContact OD1-OD2 2.97Å; K111-D115 WeakPolarHBondContact CG-OD2 3.38Å; K111-D115 IonicContact NZ-OD2 2.66Å; K111-D115 PolarHBondContact NZ-OD2 3.44Å; K111-D115 WeakPolarHBondContact O-CB 3.3Å; K111-D115 VanDerWaalsContact O-CG 3.27Å; K111-D115 PolarHBondContact O-N 3.01Å; D112-D115 PolarHBondContact O-N 3.04Å; D115-K118 PolarHBondContact O-N 3.2Å; D115-K118 IonicContact OD1-NZ 3.03Å; D115-K118 PolarHBondContact OD1-NZ 2.84Å; D115-T119 WeakPolarHBondContact O-CB 3.33Å; D115-T119 PolarHBondContact O-N 3.4Å; D115-T119 PolarHBondContact O-OG1 2.86Å
116	L	98.9	Very high	98.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-52.7	167	175.2	63.8	0	0	0	110.4	Q36 V38 L43 Y45 W86 D112 V114 K118 T119 L120	Q36-L116 HydrophobicContact CB-CD1 3.74Å; Q36-L116 HydrophobicContact CG-CD1 4.22Å; V38-L116 HydrophobicContact CG2-CB 4.2Å; V38-L116 HydrophobicContact CG2-CD1 4.1Å; L43-L116 HydrophobicContact CD1-CB 4.42Å; Y45-L116 HydrophobicContact CD1-CD1 4.32Å; W86-L116 HydrophobicContact CB-CD2 3.48Å; W86-L116 VanDerWaalsContact CB-CD2 3.48Å; W86-L116 HydrophobicContact CD2-CD2 4.24Å; W86-L116 HydrophobicContact CE3-CD2 4.12Å; W86-L116 HydrophobicContact CG-CD2 4.01Å; D112-L116 VanDerWaalsContact O-CB 3.28Å; D112-L116 WeakPolarHBondContact O-CB 3.25Å; D112-L116 PolarHBondContact O-N 2.94Å; V114-L116 VanDerWaalsContact C-N 3.32Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 3.26Å; L116-T119 PolarHBondContact O-N 3.39Å; L116-T119 VanDerWaalsContact O-N 3.09Å; L116-L120 HydrophobicContact CD1-CD1 4.09Å; L116-L120 HydrophobicContact CD1-CG 4.23Å; L116-L120 HydrophobicContact CG-CD1 4.13Å; L116-L120 WeakPolarHBondContact O-CG 3.48Å; L116-L120 PolarHBondContact O-N 2.86Å
117	M	98.8	Very high	98.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-40.7	179	-71	-62.7	-75.1	0	0	112.6	A54 L56 V84 G113 V114 L120 G121 F122 F125	A54-M117 HydrophobicContact CB-CE 4.01Å; L56-M117 HydrophobicContact CB-CE 4.33Å; L56-M117 HydrophobicContact CB-CG 4.09Å; L56-M117 HydrophobicContact CB-SD 4.11Å; L56-M117 HydrophobicContact CD1-CG 4.14Å; L56-M117 HydrophobicContact CD1-SD 3.99Å; L56-M117 HydrophobicContact CD2-CG 3.72Å; L56-M117 HydrophobicContact CG-CG 4.2Å; L56-M117 HydrophobicContact CG-SD 4.45Å; V84-M117 HydrophobicContact CB-SD 3.88Å; V84-M117 HydrophobicContact CG1-SD 4.03Å; V84-M117 HydrophobicContact CG2-CE 4.27Å; V84-M117 HydrophobicContact CG2-SD 3.92Å; G113-M117 WeakPolarHBondContact O-CG 3.34Å; G113-M117 PolarHBondContact O-N 3.24Å; G113-M117 VanDerWaalsContact O-N 3.15Å; V114-M117 PolarHBondContact O-N 3.38Å; M117-L120 PolarHBondContact O-N 2.85Å; M117-G121 PolarHBondContact O-N 3.43Å; M117-F122 HydrophobicContact CB-CB 4.39Å; M117-F122 HydrophobicContact CE-CB 3.85Å; M117-F122 HydrophobicContact CE-CD2 3.38Å; M117-F122 HydrophobicContact CE-CE2 4.04Å; M117-F122 HydrophobicContact CE-CG 3.66Å; M117-F122 WeakPolarHBondContact O-CB 3.22Å; M117-F122 PolarHBondContact O-N 3.24Å; M117-F122 HydrophobicContact SD-CD2 3.8Å; M117-F122 HydrophobicContact SD-CE2 4.31Å; M117-F125 HydrophobicContact CB-CD1 4.03Å; M117-F125 HydrophobicContact CB-CD2 4.47Å; M117-F125 HydrophobicContact CB-CE1 3.62Å; M117-F125 HydrophobicContact CB-CE2 4.09Å; M117-F125 HydrophobicContact CB-CG 4.47Å; M117-F125 HydrophobicContact CB-CZ 3.67Å; M117-F125 HydrophobicContact CE-CB 3.78Å; M117-F125 HydrophobicContact CE-CD1 4.23Å; M117-F125 HydrophobicContact CE-CD2 4.03Å; M117-F125 HydrophobicContact CE-CG 3.78Å; M117-F125 HydrophobicContact CG-CD1 4.47Å; M117-F125 HydrophobicContact CG-CD2 4.1Å; M117-F125 HydrophobicContact CG-CE1 4.27Å; M117-F125 HydrophobicContact CG-CE2 3.85Å; M117-F125 HydrophobicContact CG-CG 4.42Å; M117-F125 HydrophobicContact CG-CZ 3.96Å
118	K	98.7	Very high	98.6	Very high	92 Å²	92	36.6 Å²	36.6	40%	0.4	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-43.9	173.5	-70.8	173.3	-171	157.1	0	111.9	V114 D115 L116 L120 G121	V114-K118 HydrophobicContact CG1-CD 4.36Å; V114-K118 WeakPolarHBondContact O-CG 3.25Å; V114-K118 PolarHBondContact O-N 2.9Å; D115-K118 PolarHBondContact O-N 3.2Å; D115-K118 IonicContact OD1-NZ 3.03Å; D115-K118 PolarHBondContact OD1-NZ 2.84Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 3.26Å; K118-L120 VanDerWaalsContact C-N 3.3Å; K118-L120 PolarHBondContact O-N 3.08Å; K118-G121 WeakPolarHBondContact O-CA 3.49Å; K118-G121 PolarHBondContact O-N 2.97Å
119	T	98.3	Very high	98.6	Very high	70 Å²	70	34.9 Å²	34.9	43%	0.429	18%	0.177	S	C	.	.	H	α-helix	trans	-65.8	-35.1	-179.6	-55.6	0	0	0	0	111.6	Q36 D115 L116 G121	Q36-T119 HydrophobicContact CG-CG2 3.43Å; Q36-T119 VanDerWaalsContact CG-CG2 3.43Å; Q36-T119 VanDerWaalsContact NE2-CG2 3.33Å; D115-T119 WeakPolarHBondContact O-CB 3.33Å; D115-T119 PolarHBondContact O-N 3.4Å; D115-T119 PolarHBondContact O-OG1 2.86Å; L116-T119 PolarHBondContact O-N 3.39Å; L116-T119 VanDerWaalsContact O-N 3.09Å; T119-G121 PolarHBondContact O-N 2.81Å
120	L	97.8	Very high	98.6	Very high	39 Å²	39	36 Å²	36	20%	0.204	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-1.7	171.8	-63.2	176.8	0	0	0	113.4	Y45 V84 L116 M117 K118 F122	Y45-L120 HydrophobicContact CD2-CD1 3.97Å; Y45-L120 HydrophobicContact CE1-CD2 3.9Å; Y45-L120 HydrophobicContact CE2-CD1 3.97Å; Y45-L120 HydrophobicContact CE2-CD2 3.93Å; Y45-L120 HydrophobicContact CG-CD1 4.31Å; V84-L120 HydrophobicContact CG1-CD1 4.14Å; L116-L120 HydrophobicContact CD1-CD1 4.09Å; L116-L120 HydrophobicContact CD1-CG 4.23Å; L116-L120 HydrophobicContact CG-CD1 4.13Å; L116-L120 WeakPolarHBondContact O-CG 3.48Å; L116-L120 PolarHBondContact O-N 2.86Å; M117-L120 PolarHBondContact O-N 2.85Å; K118-L120 VanDerWaalsContact C-N 3.3Å; K118-L120 PolarHBondContact O-N 3.08Å; L120-F122 HydrophobicContact CB-CD2 3.77Å; L120-F122 HydrophobicContact CB-CE2 3.75Å; L120-F122 HydrophobicContact CD1-CE2 4.36Å
121	G	97.9	Very high	98.6	Very high	55 Å²	55	36.6 Å²	36.6	57%	0.567	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.8	6.1	174.8	0	0	0	0	0	115.2	M117 K118 T119 K123	M117-G121 PolarHBondContact O-N 3.43Å; K118-G121 WeakPolarHBondContact O-CA 3.49Å; K118-G121 PolarHBondContact O-N 2.97Å; T119-G121 PolarHBondContact O-N 2.81Å; G121-K123 PolarHBondContact O-N 3.36Å
122	F	98.3	Very high	98.6	Very high	40 Å²	40	32 Å²	32	18%	0.175	17%	0.165	C	C	.	.			trans	-81.3	116	178.5	-59.8	-69.7	0	0	0	111.1	A54 T82 V84 M117 L120 F125	A54-F122 HydrophobicContact CB-CB 4.32Å; A54-F122 HydrophobicContact CB-CD1 3.31Å; A54-F122 HydrophobicContact CB-CE1 3.67Å; A54-F122 HydrophobicContact CB-CG 3.84Å; A54-F122 HydrophobicContact CB-CZ 4.47Å; T82-F122 HydrophobicContact CG2-CE1 3.98Å; T82-F122 HydrophobicContact CG2-CZ 3.62Å; V84-F122 HydrophobicContact CG2-CE2 3.89Å; V84-F122 HydrophobicContact CG2-CZ 4.34Å; M117-F122 HydrophobicContact CB-CB 4.39Å; M117-F122 HydrophobicContact CE-CB 3.85Å; M117-F122 HydrophobicContact CE-CD2 3.38Å; M117-F122 HydrophobicContact CE-CE2 4.04Å; M117-F122 HydrophobicContact CE-CG 3.66Å; M117-F122 WeakPolarHBondContact O-CB 3.22Å; M117-F122 PolarHBondContact O-N 3.24Å; M117-F122 HydrophobicContact SD-CD2 3.8Å; M117-F122 HydrophobicContact SD-CE2 4.31Å; L120-F122 HydrophobicContact CB-CD2 3.77Å; L120-F122 HydrophobicContact CB-CE2 3.75Å; L120-F122 HydrophobicContact CD1-CE2 4.36Å; F122-F125 HydrophobicContact CB-CD1 4.3Å
123	K	96.9	Very high	98.6	Very high	181 Å²	181	32 Å²	32	79%	0.787	17%	0.166	S	C	*	.	S	Bend	trans	-86.9	-24.6	179.3	-61.7	-177.4	-179	-179.7	0	113.4	G121 L147	G121-K123 PolarHBondContact O-N 3.36Å; K123-L147 VanDerWaalsContact O-CD2 3.3Å; K123-L147 WeakPolarHBondContact O-CD2 3Å
124	K	98.3	Very high	98.6	Very high	109 Å²	109	32 Å²	32	47%	0.474	17%	0.166	S	C	.	.	S	Bend	trans	-150.9	135.1	179	-149.3	174.6	-176.3	-163.8	0	109.9	E146 L147 N149	K124-E146 WeakPolarHBondContact CE-O 3.26Å; K124-L147 CarbonylContact C-O 3.56Å; K124-L147 VanDerWaalsContact CA-O 3.25Å; K124-L147 WeakPolarHBondContact CA-O 3.36Å; K124-L147 VanDerWaalsContact CG-O 3.24Å; K124-L147 WeakPolarHBondContact CG-O 3.25Å; K124-N149 WeakPolarHBondContact CD-OD1 3.16Å; K124-N149 WeakPolarHBondContact CE-OD1 3.48Å; K124-N149 VanDerWaalsContact CG-OD1 3.25Å; K124-N149 WeakPolarHBondContact CG-OD1 3.13Å; K124-N149 PolarHBondContact NZ-OD1 3.33Å
125	F	98.8	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	163.6	-173.1	53.4	-83.3	0	0	0	111.9	A54 L56 V114 M117 F122 L127 L147 I148 N149	A54-F125 HydrophobicContact CB-CB 3.76Å; A54-F125 CarbonylContact O-C 3.53Å; A54-F125 WeakPolarHBondContact O-CA 3.14Å; A54-F125 VanDerWaalsContact O-CB 3.3Å; A54-F125 WeakPolarHBondContact O-CB 3.36Å; L56-F125 HydrophobicContact CB-CD2 4.13Å; L56-F125 HydrophobicContact CB-CE2 4.37Å; L56-F125 HydrophobicContact CD2-CE2 4.27Å; V114-F125 HydrophobicContact CG1-CZ 4.5Å; V114-F125 HydrophobicContact CG2-CZ 4.3Å; M117-F125 HydrophobicContact CB-CD1 4.03Å; M117-F125 HydrophobicContact CB-CD2 4.47Å; M117-F125 HydrophobicContact CB-CE1 3.62Å; M117-F125 HydrophobicContact CB-CE2 4.09Å; M117-F125 HydrophobicContact CB-CG 4.47Å; M117-F125 HydrophobicContact CB-CZ 3.67Å; M117-F125 HydrophobicContact CE-CB 3.78Å; M117-F125 HydrophobicContact CE-CD1 4.23Å; M117-F125 HydrophobicContact CE-CD2 4.03Å; M117-F125 HydrophobicContact CE-CG 3.78Å; M117-F125 HydrophobicContact CG-CD1 4.47Å; M117-F125 HydrophobicContact CG-CD2 4.1Å; M117-F125 HydrophobicContact CG-CE1 4.27Å; M117-F125 HydrophobicContact CG-CE2 3.85Å; M117-F125 HydrophobicContact CG-CG 4.42Å; M117-F125 HydrophobicContact CG-CZ 3.96Å; F122-F125 HydrophobicContact CB-CD1 4.3Å; F125-L127 HydrophobicContact CD2-CD2 3.54Å; F125-L127 HydrophobicContact CE2-CD2 3.4Å; F125-L147 HydrophobicContact CE1-CB 4.27Å; F125-L147 PolarHBondContact N-O 3.43Å; F125-I148 HydrophobicContact CD2-CD1 4.09Å; F125-I148 HydrophobicContact CE1-CD1 4.45Å; F125-I148 HydrophobicContact CE2-CD1 3.65Å; F125-I148 HydrophobicContact CZ-CD1 3.84Å; F125-I148 CarbonylContact O-C 3.57Å; F125-I148 WeakPolarHBondContact O-CA 3.42Å; F125-N149 PolarHBondContact O-N 3.43Å
126	S	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	157.4	171.9	-79.1	0	0	0	0	111.4	H53 A54 V55 L56 K150	H53-S126 PolarHBondContact NE2-OG 3.39Å; A54-S126 PolarHBondContact O-N 2.88Å; V55-S126 CarbonylContact C-O 3.45Å; V55-S126 WeakPolarHBondContact CA-O 3.32Å; L56-S126 PolarHBondContact N-O 2.97Å; S126-K150 CarbonylContact C-O 3.54Å; S126-K150 WeakPolarHBondContact CA-O 3.3Å; S126-K150 WeakPolarHBondContact CB-O 3.21Å; S126-K150 PolarHBondContact OG-N 2.8Å; S126-K150 PolarHBondContact OG-O 2.64Å; S126-K150 VanDerWaalsContact OG-O 3.12Å
127	L	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.5	179.7	-49.6	-175.3	0	0	0	110.6	L56 F58 F125 A137 A140 A141 I148 K150 M151 V152	L56-L127 HydrophobicContact CB-CD2 4.23Å; F58-L127 HydrophobicContact CE2-CB 4.41Å; F58-L127 HydrophobicContact CE2-CD1 4.26Å; F58-L127 HydrophobicContact CE2-CD2 3.8Å; F58-L127 HydrophobicContact CE2-CG 4.37Å; F125-L127 HydrophobicContact CD2-CD2 3.54Å; F125-L127 HydrophobicContact CE2-CD2 3.4Å; L127-A137 HydrophobicContact CB-CB 4.03Å; L127-A137 HydrophobicContact CD1-CB 3.94Å; L127-A137 VanDerWaalsContact CD1-O 3.26Å; L127-A137 WeakPolarHBondContact CD1-O 3.31Å; L127-A140 HydrophobicContact CD1-CB 3.96Å; L127-A141 HydrophobicContact CD1-CB 4.23Å; L127-I148 HydrophobicContact CD1-CD1 4.01Å; L127-I148 HydrophobicContact CD1-CG1 4.17Å; L127-I148 HydrophobicContact CD1-CG2 4.22Å; L127-I148 HydrophobicContact CD2-CD1 3.78Å; L127-I148 HydrophobicContact CG-CD1 3.97Å; L127-I148 HydrophobicContact CG-CG1 4.43Å; L127-I148 HydrophobicContact CG-CG2 4Å; L127-K150 PolarHBondContact N-O 3.19Å; L127-M151 HydrophobicContact CB-CB 4.47Å; L127-M151 HydrophobicContact CB-CG 4.14Å; L127-M151 HydrophobicContact CD1-SD 4.39Å; L127-M151 CarbonylContact O-C 3.6Å; L127-M151 WeakPolarHBondContact O-CA 3.1Å; L127-V152 PolarHBondContact O-N 3.34Å
128	L	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.6	165.6	-101.3	63.1	0	0	0	107.6	V55 L56 L57 F58 L76 V152 W154 V278 L282	V55-L128 HydrophobicContact CG1-CD1 3.79Å; L56-L128 PolarHBondContact O-N 3.27Å; L57-L128 CarbonylContact C-O 3.55Å; L57-L128 WeakPolarHBondContact CA-O 3.37Å; L57-L128 HydrophobicContact CD2-CB 3.57Å; L57-L128 HydrophobicContact CD2-CD2 3.61Å; L57-L128 HydrophobicContact CD2-CG 4.19Å; F58-L128 PolarHBondContact N-O 2.89Å; L76-L128 HydrophobicContact CD1-CD2 4.41Å; L128-V152 CarbonylContact C-O 3.56Å; L128-V152 WeakPolarHBondContact CA-O 3.46Å; L128-V152 HydrophobicContact CD1-CB 3.88Å; L128-V152 HydrophobicContact CD1-CG2 3.83Å; L128-V152 HydrophobicContact CG-CB 4.09Å; L128-W154 HydrophobicContact CB-CH2 4.33Å; L128-W154 HydrophobicContact CB-CZ3 4.13Å; L128-W154 HydrophobicContact CG-CZ3 4.21Å; L128-V278 HydrophobicContact CD1-CG1 4.06Å; L128-V278 HydrophobicContact CD2-CG1 3.83Å; L128-V278 HydrophobicContact CD2-CG2 4.34Å; L128-V278 HydrophobicContact CG-CG1 4.39Å; L128-L282 HydrophobicContact CD1-CD1 3.96Å
129	G	98.9	Very high	98.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.5	-177	0	0	0	0	0	113.3	V152 V153 W154	G129-V152 PolarHBondContact N-O 2.88Å; G129-V153 WeakPolarHBondContact O-CA 3.4Å; G129-W154 VanDerWaalsContact O-CE3 3.28Å; G129-W154 WeakPolarHBondContact O-CZ3 3.33Å; G129-W154 PolarHBondContact O-N 3.44Å; G129-W154 VanDerWaalsContact O-N 3.11Å
130	W	98.9	Very high	98.6	Very high	32 Å²	32	23.3 Å²	23.3	12%	0.121	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.1	174.1	-178.1	26.7	0	0	0	110.8	F58 G60 D68 F69 D132 G133 G134 W154 H264 N265 H267	F58-W130 PolarHBondContact O-N 2.97Å; F58-W130 VanDerWaalsContact O-N 3.07Å; G60-W130 WeakPolarHBondContact CA-O 3.34Å; D68-W130 HydrophobicContact CB-CE3 3.95Å; D68-W130 HydrophobicContact CB-CZ3 3.97Å; D68-W130 WeakPolarHBondContact OD2-CZ3 3.48Å; F69-W130 HydrophobicContact CZ-CB 4.48Å; W130-D132 PolarHBondContact O-N 2.86Å; W130-G133 VanDerWaalsContact O-CA 3.28Å; W130-G133 WeakPolarHBondContact O-CA 3.36Å; W130-G133 PolarHBondContact O-N 3.35Å; W130-G134 PolarHBondContact O-N 3.24Å; W130-W154 HydrophobicContact CB-CD2 4.34Å; W130-W154 HydrophobicContact CB-CH2 4.09Å; W130-W154 HydrophobicContact CB-CZ2 3.45Å; W130-W154 VanDerWaalsContact CB-CZ2 3.45Å; W130-W154 AromaticContact CD1-CD1 3.3Å; W130-W154 AromaticContact CD1-CE2 3.74Å; W130-W154 AromaticContact CD1-NE1 2.94Å; W130-W154 AromaticContact CG-CE2 3.75Å; W130-W154 AromaticContact CG-CZ2 3.99Å; W130-W154 HydrophobicContact CG-CZ2 3.99Å; W130-W154 AromaticContact CG-NE1 3.32Å; W130-W154 VanDerWaalsContact CG-NE1 3.32Å; W130-W154 AromaticContact NE1-CD1 3.92Å; W130-W154 AromaticContact NE1-NE1 3.63Å; W130-H264 AromaticContact CZ2-CD2 3.78Å; W130-H264 AromaticContact NE1-CD2 3.78Å; W130-H264 AromaticContact NE1-NE2 3.79Å; W130-H264 PolarHBondContact NE1-O 2.97Å; W130-N265 HydrophobicContact CZ2-CB 4.17Å; W130-H267 AromaticContact CD2-CE1 3.26Å; W130-H267 AromaticContact CD2-NE2 3.86Å; W130-H267 AromaticContact CE2-CE1 3.48Å; W130-H267 VanDerWaalsContact CE2-CE1 3.48Å; W130-H267 AromaticContact CE3-CE1 3.38Å; W130-H267 AromaticContact CE3-NE2 3.6Å; W130-H267 AromaticContact CG-CE1 3.8Å; W130-H267 AromaticContact CH2-CE1 3.93Å; W130-H267 AromaticContact CZ2-CE1 3.82Å; W130-H267 AromaticContact CZ3-CE1 3.71Å; W130-H267 AromaticContact CZ3-NE2 4Å
131	S	98.7	Very high	98.7	Very high	15 Å²	15	21.5 Å²	21.5	11%	0.105	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-127.3	169.5	-163.8	0	0	0	0	111.4	G133 G134 I135 W154 G155 S156 H264	S131-G133 PolarHBondContact O-N 2.9Å; S131-G134 WeakPolarHBondContact O-CA 3.47Å; S131-G134 PolarHBondContact O-N 3.02Å; S131-I135 PolarHBondContact O-N 2.79Å; S131-W154 PolarHBondContact N-O 2.96Å; S131-G155 VanDerWaalsContact CA-O 3.25Å; S131-G155 WeakPolarHBondContact CA-O 3.35Å; S131-S156 PolarHBondContact N-OG 2.76Å; S131-S156 WeakPolarHBondContact O-CB 3.3Å; S131-S156 PolarHBondContact O-OG 2.85Å; S131-H264 PolarHBondContact OG-NE2 2.91Å; S131-H264 VanDerWaalsContact OG-NE2 3.14Å
132	D	98.9	Very high	98.7	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.053	9%	0.089	C	C	.	.	H	α-helix	trans	-46.7	-38	167.9	-85.2	26.2	0	0	0	113.4	F106 W130 G134 I135 T136 W201	F106-D132 HydrophobicContact CE1-CB 3.71Å; F106-D132 HydrophobicContact CZ-CB 4.34Å; W130-D132 PolarHBondContact O-N 2.86Å; D132-G134 VanDerWaalsContact C-N 3.3Å; D132-G134 PolarHBondContact O-N 2.79Å; D132-I135 WeakPolarHBondContact O-CB 3.38Å; D132-I135 PolarHBondContact O-N 2.9Å; D132-T136 WeakPolarHBondContact O-CB 3.47Å; D132-T136 PolarHBondContact O-N 3.34Å; D132-T136 PolarHBondContact O-OG1 2.87Å; D132-W201 PolarHBondContact OD2-NE1 2.91Å
133	G	98.9	Very high	98.8	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-66.9	-29	176.1	0	0	0	0	0	113.6	F58 P59 W130 S131 A137	F58-G133 VanDerWaalsContact CB-CA 3.47Å; F58-G133 WeakPolarHBondContact CB-O 3.47Å; P59-G133 WeakPolarHBondContact O-CA 3.39Å; P59-G133 PolarHBondContact O-N 2.99Å; W130-G133 VanDerWaalsContact O-CA 3.28Å; W130-G133 WeakPolarHBondContact O-CA 3.36Å; W130-G133 PolarHBondContact O-N 3.35Å; S131-G133 PolarHBondContact O-N 2.9Å; G133-A137 VanDerWaalsContact O-CB 3.25Å; G133-A137 WeakPolarHBondContact O-CB 3.44Å; G133-A137 PolarHBondContact O-N 3.4Å
134	G	98.9	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-74.2	-34.1	171.9	0	0	0	0	0	112.8	W130 S131 D132 T136 A137 M138 S156	W130-G134 PolarHBondContact O-N 3.24Å; S131-G134 WeakPolarHBondContact O-CA 3.47Å; S131-G134 PolarHBondContact O-N 3.02Å; D132-G134 VanDerWaalsContact C-N 3.3Å; D132-G134 PolarHBondContact O-N 2.79Å; G134-T136 VanDerWaalsContact C-N 3.34Å; G134-A137 PolarHBondContact O-N 2.91Å; G134-M138 WeakPolarHBondContact O-CE 3.43Å; G134-M138 WeakPolarHBondContact O-CG 3.41Å; G134-M138 PolarHBondContact O-N 3.49Å; G134-S156 VanDerWaalsContact CA-OG 3.25Å; G134-S156 WeakPolarHBondContact CA-OG 3.29Å
135	I	98.9	Very high	98.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.8	-50.2	169.5	-52.7	-177.6	0	0	0	109.5	F106 S131 D132 A137 M138 I139 N157 I216	F106-I135 HydrophobicContact CB-CG2 4.36Å; F106-I135 HydrophobicContact CD1-CB 4.12Å; F106-I135 HydrophobicContact CD1-CG2 3.99Å; F106-I135 HydrophobicContact CD2-CG2 3.95Å; F106-I135 HydrophobicContact CE1-CB 4.04Å; F106-I135 HydrophobicContact CE1-CD1 4.05Å; F106-I135 HydrophobicContact CE1-CG2 4.19Å; F106-I135 HydrophobicContact CE2-CD1 4.02Å; F106-I135 HydrophobicContact CE2-CG2 4.15Å; F106-I135 HydrophobicContact CG-CG2 3.87Å; F106-I135 HydrophobicContact CZ-CB 4.35Å; F106-I135 HydrophobicContact CZ-CD1 3.59Å; F106-I135 HydrophobicContact CZ-CG2 4.28Å; S131-I135 PolarHBondContact O-N 2.79Å; D132-I135 WeakPolarHBondContact O-CB 3.38Å; D132-I135 PolarHBondContact O-N 2.9Å; I135-A137 VanDerWaalsContact C-N 3.34Å; I135-A137 PolarHBondContact O-N 2.8Å; I135-M138 PolarHBondContact O-N 3Å; I135-I139 HydrophobicContact CG2-CD1 4.09Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.42Å; I135-N157 WeakPolarHBondContact CD1-O 3.27Å; I135-N157 WeakPolarHBondContact CG1-O 3.37Å; I135-I216 HydrophobicContact CD1-CD1 4.04Å; I135-I216 HydrophobicContact CG2-CG2 3.68Å
136	T	98.9	Very high	98.8	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-43.7	177.9	-53.6	0	0	0	0	111.6	F58 D109 A110 D132 G134 I139 A140	F58-T136 HydrophobicContact CD1-CG2 3.53Å; F58-T136 HydrophobicContact CE1-CG2 3.45Å; F58-T136 VanDerWaalsContact CE1-CG2 3.45Å; F58-T136 HydrophobicContact CZ-CG2 4.4Å; D109-T136 HydrophobicContact CB-CG2 3.78Å; A110-T136 VanDerWaalsContact CA-CG2 3.48Å; A110-T136 HydrophobicContact CB-CG2 3.84Å; A110-T136 WeakPolarHBondContact CB-O 3.42Å; A110-T136 VanDerWaalsContact N-CG2 3.3Å; D132-T136 WeakPolarHBondContact O-CB 3.47Å; D132-T136 PolarHBondContact O-N 3.34Å; D132-T136 PolarHBondContact O-OG1 2.87Å; G134-T136 VanDerWaalsContact C-N 3.34Å; T136-I139 PolarHBondContact O-N 3.16Å; T136-A140 WeakPolarHBondContact O-CB 3.49Å; T136-A140 PolarHBondContact O-N 2.89Å
137	A	98.9	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-41.3	177.2	0	0	0	0	0	112.4	F58 L127 G133 G134 I135 A140 A141 M151 V153	F58-A137 HydrophobicContact CD2-CB 3.99Å; F58-A137 HydrophobicContact CE2-CB 4.29Å; L127-A137 HydrophobicContact CB-CB 4.03Å; L127-A137 HydrophobicContact CD1-CB 3.94Å; L127-A137 VanDerWaalsContact CD1-O 3.26Å; L127-A137 WeakPolarHBondContact CD1-O 3.31Å; G133-A137 VanDerWaalsContact O-CB 3.25Å; G133-A137 WeakPolarHBondContact O-CB 3.44Å; G133-A137 PolarHBondContact O-N 3.4Å; G134-A137 PolarHBondContact O-N 2.91Å; I135-A137 VanDerWaalsContact C-N 3.34Å; I135-A137 PolarHBondContact O-N 2.8Å; A137-A140 PolarHBondContact O-N 3.37Å; A137-A141 WeakPolarHBondContact O-CB 3.31Å; A137-A141 PolarHBondContact O-N 2.95Å; A137-M151 HydrophobicContact CB-SD 3.93Å; A137-V153 HydrophobicContact CB-CG1 4.25Å
138	M	98.9	Very high	98.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-42.4	176.2	-75.4	-176.5	-72.1	0	0	111.8	G134 I135 A141 A142 M151 V153 V158 L221 I224 L247 I251	G134-M138 WeakPolarHBondContact O-CE 3.43Å; G134-M138 WeakPolarHBondContact O-CG 3.41Å; G134-M138 PolarHBondContact O-N 3.49Å; I135-M138 PolarHBondContact O-N 3Å; M138-A141 PolarHBondContact O-N 3.48Å; M138-A142 WeakPolarHBondContact O-CB 3.38Å; M138-A142 PolarHBondContact O-N 3.04Å; M138-M151 HydrophobicContact CG-CE 3.68Å; M138-M151 HydrophobicContact CG-SD 4.09Å; M138-V153 HydrophobicContact CG-CG1 4.31Å; M138-V158 HydrophobicContact CE-CG1 3.29Å; M138-V158 HydrophobicContact SD-CG1 3.93Å; M138-L221 HydrophobicContact SD-CD2 3.83Å; M138-I224 HydrophobicContact CB-CD1 3.96Å; M138-I224 HydrophobicContact CG-CD1 4.03Å; M138-L247 HydrophobicContact CE-CD1 4.13Å; M138-L247 HydrophobicContact CE-CD2 4.07Å; M138-L247 HydrophobicContact SD-CD1 4.1Å; M138-L247 HydrophobicContact SD-CD2 3.77Å; M138-I251 HydrophobicContact SD-CD1 4.07Å
139	I	98.9	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-44.8	174.3	-65.2	160.7	0	0	0	110.6	F106 E107 A110 I135 T136 A141 A142 R143 C217 L220	F106-I139 HydrophobicContact CB-CD1 3.47Å; F106-I139 VanDerWaalsContact CB-CD1 3.47Å; F106-I139 HydrophobicContact CG-CD1 4.47Å; E107-I139 HydrophobicContact CG-CG2 4.21Å; A110-I139 HydrophobicContact CB-CB 3.99Å; A110-I139 HydrophobicContact CB-CG2 3.72Å; I135-I139 HydrophobicContact CG2-CD1 4.09Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.42Å; T136-I139 PolarHBondContact O-N 3.16Å; I139-A141 PolarHBondContact O-N 3.4Å; I139-A142 PolarHBondContact O-N 2.66Å; I139-R143 HydrophobicContact CG2-CG 4.47Å; I139-R143 WeakPolarHBondContact O-CB 3.25Å; I139-R143 WeakPolarHBondContact O-CG 3.4Å; I139-R143 PolarHBondContact O-N 2.7Å; I139-C217 HydrophobicContact CD1-CB 4.19Å; I139-C217 HydrophobicContact CG1-CB 3.78Å; I139-L220 HydrophobicContact CB-CD1 4.16Å; I139-L220 HydrophobicContact CG1-CD1 3.83Å; I139-L220 HydrophobicContact CG2-CD1 4.01Å
140	A	98.9	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-45.5	178.1	0	0	0	0	0	111.7	F58 A110 V114 L127 T136 A137 R143 N144	F58-A140 HydrophobicContact CZ-CB 4.41Å; A110-A140 HydrophobicContact CB-CB 4.08Å; V114-A140 HydrophobicContact CG2-CB 3.79Å; L127-A140 HydrophobicContact CD1-CB 3.96Å; T136-A140 WeakPolarHBondContact O-CB 3.49Å; T136-A140 PolarHBondContact O-N 2.89Å; A137-A140 PolarHBondContact O-N 3.37Å; A140-R143 PolarHBondContact O-N 2.97Å; A140-N144 WeakPolarHBondContact O-CB 3.36Å; A140-N144 PolarHBondContact O-N 2.82Å; A140-N144 PolarHBondContact O-ND2 2.94Å
141	A	98.9	Very high	98.7	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-64.9	-45.7	178.7	0	0	0	0	0	112.8	L127 A137 M138 I139 R143 N144 I148 M151 I224	L127-A141 HydrophobicContact CD1-CB 4.23Å; A137-A141 WeakPolarHBondContact O-CB 3.31Å; A137-A141 PolarHBondContact O-N 2.95Å; M138-A141 PolarHBondContact O-N 3.48Å; I139-A141 PolarHBondContact O-N 3.4Å; A141-R143 VanDerWaalsContact C-N 3.32Å; A141-R143 PolarHBondContact O-N 3.26Å; A141-N144 CarbonylContact O-C 3.57Å; A141-N144 PolarHBondContact O-N 2.59Å; A141-I148 HydrophobicContact CB-CG1 4.26Å; A141-I148 HydrophobicContact CB-CG2 4.29Å; A141-M151 HydrophobicContact CB-CE 4.32Å; A141-M151 HydrophobicContact CB-SD 3.99Å; A141-I224 HydrophobicContact CB-CG1 4.46Å; A141-I224 HydrophobicContact CB-CG2 4.32Å
142	A	98.8	Very high	98.8	Very high	10 Å²	10	25.4 Å²	25.4	8%	0.083	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-37.4	178.2	0	0	0	0	0	112.8	M138 I139 L220 L223 I224	M138-A142 WeakPolarHBondContact O-CB 3.38Å; M138-A142 PolarHBondContact O-N 3.04Å; I139-A142 PolarHBondContact O-N 2.66Å; A142-L220 HydrophobicContact CB-CB 3.69Å; A142-L220 HydrophobicContact CB-CD1 4.38Å; A142-L220 HydrophobicContact CB-CD2 4.47Å; A142-L220 HydrophobicContact CB-CG 4.41Å; A142-L220 WeakPolarHBondContact CB-O 3.33Å; A142-L223 HydrophobicContact CB-CB 4.17Å; A142-I224 HydrophobicContact CB-CG1 3.93Å
143	R	98.7	Very high	98.8	Very high	140 Å²	140	25 Å²	25	53%	0.528	12%	0.122	S	C	.	.	H	α-helix	trans	-85.6	-16.1	-177.9	-67.8	-173.9	177.9	-160	-0	114.1	E107 I139 A140 A141	E107-R143 VanDerWaalsContact CG-NH2 3.26Å; I139-R143 HydrophobicContact CG2-CG 4.47Å; I139-R143 WeakPolarHBondContact O-CB 3.25Å; I139-R143 WeakPolarHBondContact O-CG 3.4Å; I139-R143 PolarHBondContact O-N 2.7Å; A140-R143 PolarHBondContact O-N 2.97Å; A141-R143 VanDerWaalsContact C-N 3.32Å; A141-R143 PolarHBondContact O-N 3.26Å
144	N	98.7	Very high	98.8	Very high	39 Å²	39	25 Å²	25	21%	0.209	12%	0.121	C	C	.	.			trans	-135.5	53	-175.7	-53.3	-96.3	0	0	0	111.8	A140 A141 E146 L147 I148	A140-N144 WeakPolarHBondContact O-CB 3.36Å; A140-N144 PolarHBondContact O-N 2.82Å; A140-N144 PolarHBondContact O-ND2 2.94Å; A141-N144 CarbonylContact O-C 3.57Å; A141-N144 PolarHBondContact O-N 2.59Å; N144-E146 PolarHBondContact O-N 3.12Å; N144-E146 VanDerWaalsContact O-N 3.11Å; N144-L147 HydrophobicContact CB-CB 4.22Å; N144-L147 HydrophobicContact CB-CD1 3.95Å; N144-L147 HydrophobicContact CB-CG 4.13Å; N144-L147 PolarHBondContact O-N 3.29Å; N144-I148 PolarHBondContact O-N 2.87Å
145	P	98.2	Very high	98.7	Very high	49 Å²	49	25.1 Å²	25.1	32%	0.318	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.9	-170.5	23.1	-34.6	0	0	0	113.4	L147 S225	P145-L147 VanDerWaalsContact C-N 3.31Å; P145-L147 PolarHBondContact O-N 3.02Å; P145-S225 WeakPolarHBondContact CB-OG 3.34Å
146	E	98.3	Very high	98.7	Very high	160 Å²	160	25.4 Å²	25.4	75%	0.748	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.5	179.3	-61.2	-57.7	151.6	0	0	113.8	K124 N144	K124-E146 WeakPolarHBondContact CE-O 3.26Å; N144-E146 PolarHBondContact O-N 3.12Å; N144-E146 VanDerWaalsContact O-N 3.11Å
147	L	98.4	Very high	98.7	Very high	39 Å²	39	25.3 Å²	25.3	20%	0.204	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-21	-178.2	-54.6	-175.5	0	0	0	112.4	V114 K123 K124 F125 N144 P145	V114-L147 HydrophobicContact CG1-CD1 3.86Å; K123-L147 VanDerWaalsContact O-CD2 3.3Å; K123-L147 WeakPolarHBondContact O-CD2 3Å; K124-L147 CarbonylContact C-O 3.56Å; K124-L147 VanDerWaalsContact CA-O 3.25Å; K124-L147 WeakPolarHBondContact CA-O 3.36Å; K124-L147 VanDerWaalsContact CG-O 3.24Å; K124-L147 WeakPolarHBondContact CG-O 3.25Å; F125-L147 HydrophobicContact CE1-CB 4.27Å; F125-L147 PolarHBondContact N-O 3.43Å; N144-L147 HydrophobicContact CB-CB 4.22Å; N144-L147 HydrophobicContact CB-CD1 3.95Å; N144-L147 HydrophobicContact CB-CG 4.13Å; N144-L147 PolarHBondContact O-N 3.29Å; P145-L147 VanDerWaalsContact C-N 3.31Å; P145-L147 PolarHBondContact O-N 3.02Å
148	I	98.7	Very high	98.6	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.9	-170.1	-54	-45.4	0	0	0	111.4	F125 L127 A141 N144 C226	F125-I148 HydrophobicContact CD2-CD1 4.09Å; F125-I148 HydrophobicContact CE1-CD1 4.45Å; F125-I148 HydrophobicContact CE2-CD1 3.65Å; F125-I148 HydrophobicContact CZ-CD1 3.84Å; F125-I148 CarbonylContact O-C 3.57Å; F125-I148 WeakPolarHBondContact O-CA 3.42Å; L127-I148 HydrophobicContact CD1-CD1 4.01Å; L127-I148 HydrophobicContact CD1-CG1 4.17Å; L127-I148 HydrophobicContact CD1-CG2 4.22Å; L127-I148 HydrophobicContact CD2-CD1 3.78Å; L127-I148 HydrophobicContact CG-CD1 3.97Å; L127-I148 HydrophobicContact CG-CG1 4.43Å; L127-I148 HydrophobicContact CG-CG2 4Å; A141-I148 HydrophobicContact CB-CG1 4.26Å; A141-I148 HydrophobicContact CB-CG2 4.29Å; N144-I148 PolarHBondContact O-N 2.87Å; I148-C226 HydrophobicContact CG2-CB 4.13Å
149	N	98.2	Very high	98.6	Very high	50 Å²	50	26.4 Å²	26.4	27%	0.267	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-57.9	177.2	-82.1	-27.4	0	0	0	112.2	K124 F125 P227	K124-N149 WeakPolarHBondContact CD-OD1 3.16Å; K124-N149 WeakPolarHBondContact CE-OD1 3.48Å; K124-N149 VanDerWaalsContact CG-OD1 3.25Å; K124-N149 WeakPolarHBondContact CG-OD1 3.13Å; K124-N149 PolarHBondContact NZ-OD1 3.33Å; F125-N149 PolarHBondContact O-N 3.43Å; N149-P227 WeakPolarHBondContact O-CD 3.36Å
150	K	98.9	Very high	98.6	Very high	21 Å²	21	26.6 Å²	26.6	9%	0.091	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	155.9	-176.3	-66.6	-175.4	173.8	172.4	0	109	S126 L127 P227 F281 L282 K283 D284	S126-K150 CarbonylContact C-O 3.54Å; S126-K150 WeakPolarHBondContact CA-O 3.3Å; S126-K150 WeakPolarHBondContact CB-O 3.21Å; S126-K150 PolarHBondContact OG-N 2.8Å; S126-K150 PolarHBondContact OG-O 2.64Å; S126-K150 VanDerWaalsContact OG-O 3.12Å; L127-K150 PolarHBondContact N-O 3.19Å; K150-P227 WeakPolarHBondContact CA-O 3.24Å; K150-P227 HydrophobicContact CG-CB 4.21Å; K150-P227 HydrophobicContact CG-CG 4.34Å; K150-F281 HydrophobicContact CB-CE1 3.99Å; K150-F281 HydrophobicContact CD-CE1 4.25Å; K150-F281 WeakPolarHBondContact CD-O 3.45Å; K150-F281 PolarHBondContact NZ-O 2.89Å; K150-L282 HydrophobicContact CB-CD2 3.82Å; K150-L282 HydrophobicContact CD-CD2 4.35Å; K150-K283 PolarHBondContact NZ-O 2.9Å; K150-D284 WeakPolarHBondContact CE-OXT 3.47Å; K150-D284 PolarHBondContact NZ-O 3.26Å; K150-D284 PolarHBondContact NZ-OXT 3.4Å
151	M	98.9	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139	179.5	178.8	167.9	67.5	0	0	111.7	L127 A137 M138 A141 V153 I224 P227 T228 L229 F281	L127-M151 HydrophobicContact CB-CB 4.47Å; L127-M151 HydrophobicContact CB-CG 4.14Å; L127-M151 HydrophobicContact CD1-SD 4.39Å; L127-M151 CarbonylContact O-C 3.6Å; L127-M151 WeakPolarHBondContact O-CA 3.1Å; A137-M151 HydrophobicContact CB-SD 3.93Å; M138-M151 HydrophobicContact CG-CE 3.68Å; M138-M151 HydrophobicContact CG-SD 4.09Å; A141-M151 HydrophobicContact CB-CE 4.32Å; A141-M151 HydrophobicContact CB-SD 3.99Å; M151-V153 HydrophobicContact CE-CG1 4.42Å; M151-V153 HydrophobicContact CG-CG1 3.81Å; M151-V153 HydrophobicContact SD-CG1 3.88Å; M151-I224 HydrophobicContact CE-CD1 4.09Å; M151-I224 HydrophobicContact CE-CG2 3.99Å; M151-P227 PolarHBondContact N-O 2.83Å; M151-T228 HydrophobicContact CB-CG2 4.38Å; M151-T228 HydrophobicContact CE-CG2 3.61Å; M151-T228 HydrophobicContact CG-CG2 4.42Å; M151-T228 CarbonylContact O-C 3.6Å; M151-T228 VanDerWaalsContact O-CA 3.26Å; M151-T228 WeakPolarHBondContact O-CA 3.38Å; M151-L229 PolarHBondContact O-N 2.89Å; M151-F281 WeakPolarHBondContact O-CE1 3.33Å
152	V	98.9	Very high	98.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	168.2	-172.8	0	0	0	0	108.4	L127 L128 G129 W154 L229 I231 V278 F281 L282	L127-V152 PolarHBondContact O-N 3.34Å; L128-V152 CarbonylContact C-O 3.56Å; L128-V152 WeakPolarHBondContact CA-O 3.46Å; L128-V152 HydrophobicContact CD1-CB 3.88Å; L128-V152 HydrophobicContact CD1-CG2 3.83Å; L128-V152 HydrophobicContact CG-CB 4.09Å; G129-V152 PolarHBondContact N-O 2.88Å; V152-W154 HydrophobicContact CG1-CE3 4.3Å; V152-L229 CarbonylContact C-O 3.54Å; V152-L229 VanDerWaalsContact CA-O 3.27Å; V152-L229 WeakPolarHBondContact CA-O 3.36Å; V152-L229 HydrophobicContact CG1-CB 4.28Å; V152-L229 HydrophobicContact CG1-CD2 4.18Å; V152-L229 HydrophobicContact CG1-CG 4.33Å; V152-L229 HydrophobicContact CG2-CB 4.21Å; V152-L229 HydrophobicContact CG2-CD2 4.48Å; V152-I231 HydrophobicContact CG1-CD1 3.66Å; V152-I231 HydrophobicContact CG1-CG1 4.24Å; V152-V278 HydrophobicContact CG1-CG2 4.19Å; V152-F281 HydrophobicContact CG2-CD1 3.67Å; V152-F281 HydrophobicContact CG2-CE1 4.07Å; V152-L282 HydrophobicContact CG2-CD2 4.38Å
153	V	98.9	Very high	98.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.6	177.2	-66.9	0	0	0	0	111.4	G129 A137 M138 M151 T228 L229 I230 I231	G129-V153 WeakPolarHBondContact O-CA 3.4Å; A137-V153 HydrophobicContact CB-CG1 4.25Å; M138-V153 HydrophobicContact CG-CG1 4.31Å; M151-V153 HydrophobicContact CE-CG1 4.42Å; M151-V153 HydrophobicContact CG-CG1 3.81Å; M151-V153 HydrophobicContact SD-CG1 3.88Å; V153-T228 HydrophobicContact CG2-CG2 4.37Å; V153-L229 PolarHBondContact N-O 2.95Å; V153-I230 HydrophobicContact CG2-CG1 4.01Å; V153-I230 WeakPolarHBondContact O-CA 3.47Å; V153-I231 PolarHBondContact O-N 2.95Å
154	W	98.9	Very high	98.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	147	175.9	68	97.2	0	0	0	112.6	F69 L128 G129 W130 S131 V152 S156 I231 L266 H267 F274	F69-W154 HydrophobicContact CE1-CH2 4.08Å; F69-W154 HydrophobicContact CE1-CZ2 4.14Å; L128-W154 HydrophobicContact CB-CH2 4.33Å; L128-W154 HydrophobicContact CB-CZ3 4.13Å; L128-W154 HydrophobicContact CG-CZ3 4.21Å; G129-W154 VanDerWaalsContact O-CE3 3.28Å; G129-W154 WeakPolarHBondContact O-CZ3 3.33Å; G129-W154 PolarHBondContact O-N 3.44Å; G129-W154 VanDerWaalsContact O-N 3.11Å; W130-W154 HydrophobicContact CB-CD2 4.34Å; W130-W154 HydrophobicContact CB-CH2 4.09Å; W130-W154 HydrophobicContact CB-CZ2 3.45Å; W130-W154 VanDerWaalsContact CB-CZ2 3.45Å; W130-W154 AromaticContact CD1-CD1 3.3Å; W130-W154 AromaticContact CD1-CE2 3.74Å; W130-W154 AromaticContact CD1-NE1 2.94Å; W130-W154 AromaticContact CG-CE2 3.75Å; W130-W154 AromaticContact CG-CZ2 3.99Å; W130-W154 HydrophobicContact CG-CZ2 3.99Å; W130-W154 AromaticContact CG-NE1 3.32Å; W130-W154 VanDerWaalsContact CG-NE1 3.32Å; W130-W154 AromaticContact NE1-CD1 3.92Å; W130-W154 AromaticContact NE1-NE1 3.63Å; S131-W154 PolarHBondContact N-O 2.96Å; V152-W154 HydrophobicContact CG1-CE3 4.3Å; W154-S156 VanDerWaalsContact C-N 3.27Å; W154-S156 PolarHBondContact O-N 2.85Å; W154-S156 PolarHBondContact O-OG 2.88Å; W154-I231 WeakPolarHBondContact CA-O 3.39Å; W154-I231 HydrophobicContact CB-CB 3.98Å; W154-I231 WeakPolarHBondContact CB-O 3.23Å; W154-L266 HydrophobicContact CG-CD1 4.23Å; W154-H267 AromaticContact CE2-CG 3.74Å; W154-H267 AromaticContact CE2-ND1 3.76Å; W154-H267 HydrophobicContact CZ2-CB 3.74Å; W154-H267 AromaticContact CZ2-CD2 3.72Å; W154-H267 AromaticContact CZ2-CG 3.49Å; W154-H267 VanDerWaalsContact CZ2-CG 3.49Å; W154-H267 AromaticContact CZ2-ND1 3.86Å; W154-H267 AromaticContact NE1-CE1 3.82Å; W154-H267 AromaticContact NE1-CG 3.57Å; W154-H267 AromaticContact NE1-ND1 3.13Å; W154-H267 PolarHBondContact NE1-ND1 3.34Å; W154-H267 VanDerWaalsContact NE1-ND1 3.13Å; W154-F274 AromaticContact CD2-CE2 3.84Å; W154-F274 HydrophobicContact CD2-CE2 3.84Å; W154-F274 AromaticContact CD2-CZ 3.87Å; W154-F274 HydrophobicContact CD2-CZ 3.87Å; W154-F274 AromaticContact CE2-CZ 3.89Å; W154-F274 AromaticContact CE3-CE2 3.94Å; W154-F274 HydrophobicContact CE3-CE2 3.94Å; W154-F274 AromaticContact CE3-CZ 3.67Å; W154-F274 HydrophobicContact CE3-CZ 3.67Å; W154-F274 HydrophobicContact CG-CE2 4.31Å; W154-F274 HydrophobicContact CH2-CE1 4.24Å; W154-F274 AromaticContact CH2-CZ 3.6Å; W154-F274 HydrophobicContact CH2-CZ 3.6Å; W154-F274 HydrophobicContact CZ2-CE1 4.38Å; W154-F274 HydrophobicContact CZ2-CE2 4.39Å; W154-F274 AromaticContact CZ2-CZ 3.74Å; W154-F274 HydrophobicContact CZ2-CZ 3.74Å; W154-F274 HydrophobicContact CZ3-CE2 4.31Å; W154-F274 AromaticContact CZ3-CZ 3.57Å; W154-F274 HydrophobicContact CZ3-CZ 3.57Å
155	G	98.3	Very high	98.4	Very high	4 Å²	4	30.6 Å²	30.6	4%	0.041	16%	0.157	C	C	.	.	S	Bend	trans	62.6	31.3	179.9	0	0	0	0	0	113.4	S131 V239 H264	S131-G155 VanDerWaalsContact CA-O 3.25Å; S131-G155 WeakPolarHBondContact CA-O 3.35Å; G155-V239 WeakPolarHBondContact O-CG2 3.36Å; G155-H264 PolarHBondContact O-CE1 3.41Å; G155-H264 VanDerWaalsContact O-CE1 3.28Å
156	S	98.1	Very high	98.3	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.035	17%	0.168	C	C	.	.			trans	-113.8	152.6	-176	-54.2	0	0	0	0	112.4	S131 G134 W154	S131-S156 PolarHBondContact N-OG 2.76Å; S131-S156 WeakPolarHBondContact O-CB 3.3Å; S131-S156 PolarHBondContact O-OG 2.85Å; G134-S156 VanDerWaalsContact CA-OG 3.25Å; G134-S156 WeakPolarHBondContact CA-OG 3.29Å; W154-S156 VanDerWaalsContact C-N 3.27Å; W154-S156 PolarHBondContact O-N 2.85Å; W154-S156 PolarHBondContact O-OG 2.88Å
157	N	98.5	Very high	98.3	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	14%	0.14	C	C	.	.			trans	-131.8	151.4	174.3	58.5	-68.8	0	0	0	110.3	I135 F159 Y168 H243	I135-N157 WeakPolarHBondContact CD1-O 3.27Å; I135-N157 WeakPolarHBondContact CG1-O 3.37Å; N157-F159 PolarHBondContact ND2-O 3.18Å; N157-Y168 PolarHBondContact ND2-OH 2.8Å; N157-Y168 PolarHBondContact OD1-OH 3.2Å; N157-H243 HydrophobicContact CB-CB 4.12Å; N157-H243 VanDerWaalsContact CB-CE1 3.41Å; N157-H243 WeakPolarHBondContact CB-CE1 3.5Å; N157-H243 VanDerWaalsContact CB-CG 3.47Å; N157-H243 VanDerWaalsContact CB-ND1 3.31Å; N157-H243 WeakPolarHBondContact CB-ND1 3.32Å
158	V	98.6	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-118.3	6.7	-175	-65.9	0	0	0	0	112.8	M138 I216 C217 M218 L221 Y246 L247	M138-V158 HydrophobicContact CE-CG1 3.29Å; M138-V158 HydrophobicContact SD-CG1 3.93Å; V158-I216 WeakPolarHBondContact O-CA 3.28Å; V158-I216 VanDerWaalsContact O-CB 3.3Å; V158-I216 WeakPolarHBondContact O-CB 3.15Å; V158-I216 PolarHBondContact O-N 2.85Å; V158-C217 PolarHBondContact O-N 3.13Å; V158-C217 VanDerWaalsContact O-N 3.14Å; V158-M218 HydrophobicContact CG2-CG 4.15Å; V158-M218 WeakPolarHBondContact O-CG 3.34Å; V158-L221 HydrophobicContact CG1-CD2 4.03Å; V158-L221 HydrophobicContact CG2-CD1 3.86Å; V158-Y246 HydrophobicContact CG2-CD1 3.87Å; V158-Y246 HydrophobicContact CG2-CE1 3.91Å; V158-L247 HydrophobicContact CB-CD2 4.2Å; V158-L247 HydrophobicContact CG1-CD2 3.48Å; V158-L247 VanDerWaalsContact CG1-CD2 3.48Å; V158-L247 HydrophobicContact CG2-CD2 3.67Å
159	F	98.8	Very high	98.2	Very high	23 Å²	23	30.2 Å²	30.2	10%	0.101	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-153	164.4	171.8	57.9	-85.6	0	0	0	108.8	N157 T161 G214 M218 F242 H243 Y246	N157-F159 PolarHBondContact ND2-O 3.18Å; F159-T161 HydrophobicContact CD2-CG2 3.76Å; F159-T161 HydrophobicContact CE2-CG2 3.52Å; F159-G214 CarbonylContact C-O 3.32Å; F159-G214 WeakPolarHBondContact CA-O 3.49Å; F159-M218 HydrophobicContact CB-CG 4.08Å; F159-M218 HydrophobicContact CB-SD 3.64Å; F159-M218 HydrophobicContact CD1-CE 4.46Å; F159-M218 HydrophobicContact CD1-CG 4.05Å; F159-M218 HydrophobicContact CD1-SD 4.1Å; F159-M218 HydrophobicContact CG-CG 4.49Å; F159-M218 HydrophobicContact CG-SD 4.09Å; F159-F242 HydrophobicContact CE2-CD2 4.38Å; F159-F242 AromaticContact CE2-CE2 3.91Å; F159-F242 HydrophobicContact CE2-CE2 3.91Å; F159-F242 HydrophobicContact CZ-CD2 4.06Å; F159-F242 HydrophobicContact CZ-CE2 4.02Å; F159-H243 AromaticContact CD2-CE1 3.9Å; F159-H243 AromaticContact CE1-ND1 3.64Å; F159-H243 AromaticContact CE2-CE1 3.56Å; F159-H243 AromaticContact CE2-ND1 3.89Å; F159-H243 AromaticContact CZ-CE1 3.66Å; F159-H243 AromaticContact CZ-ND1 3.47Å; F159-H243 WeakPolarHBondContact CZ-ND1 3.04Å; F159-H243 PolarHBondContact O-CE1 2.8Å; F159-Y246 HydrophobicContact CD1-CD1 4.32Å; F159-Y246 HydrophobicContact CD1-CE1 4.36Å; F159-Y246 AromaticContact CE1-CD1 3.73Å; F159-Y246 HydrophobicContact CE1-CD1 3.73Å; F159-Y246 HydrophobicContact CE1-CD2 4.02Å; F159-Y246 HydrophobicContact CE1-CE1 4.15Å; F159-Y246 HydrophobicContact CE1-CE2 4.4Å; F159-Y246 AromaticContact CE1-CG 3.68Å; F159-Y246 HydrophobicContact CE1-CG 3.68Å; F159-Y246 HydrophobicContact CZ-CD2 4.47Å; F159-Y246 HydrophobicContact CZ-CG 4.36Å
160	V	98.7	Very high	98.2	Very high	5 Å²	5	34 Å²	34	3%	0.03	17%	0.169	C	C	.	.			trans	-119.6	116.5	-179.7	-177.5	0	0	0	0	109.9	D164 L165 Y168 I205 F208 A209 G214 I216	V160-D164 HydrophobicContact CG1-CB 4.07Å; V160-L165 HydrophobicContact CG1-CD2 3.67Å; V160-L165 HydrophobicContact CG1-CG 3.89Å; V160-Y168 HydrophobicContact CG1-CE2 3.97Å; V160-Y168 HydrophobicContact CG2-CE2 4.4Å; V160-I205 HydrophobicContact CG2-CD1 4.34Å; V160-I205 HydrophobicContact CG2-CG1 4.19Å; V160-F208 HydrophobicContact CB-CB 4.46Å; V160-F208 HydrophobicContact CG2-CB 3.9Å; V160-A209 HydrophobicContact CB-CB 4.26Å; V160-A209 HydrophobicContact CG1-CB 3.94Å; V160-G214 PolarHBondContact N-O 3.33Å; V160-G214 WeakPolarHBondContact O-CA 3.37Å; V160-I216 HydrophobicContact CG2-CD1 3.86Å; V160-I216 HydrophobicContact CG2-CG1 4.16Å
161	T	98.4	Very high	98	Very high	37 Å²	37	34.5 Å²	34.5	23%	0.227	17%	0.174	C	C	.	.			trans	-90.7	172.4	173.1	69.9	0	0	0	0	111.8	F159 D163 D164 L165 F242	F159-T161 HydrophobicContact CD2-CG2 3.76Å; F159-T161 HydrophobicContact CE2-CG2 3.52Å; T161-D163 PolarHBondContact O-N 2.82Å; T161-D163 PolarHBondContact OG1-N 3.48Å; T161-D164 VanDerWaalsContact CB-OD2 3.31Å; T161-D164 WeakPolarHBondContact CB-OD2 3.49Å; T161-D164 WeakPolarHBondContact CG2-OD2 3.5Å; T161-D164 PolarHBondContact N-OD2 2.82Å; T161-D164 PolarHBondContact O-N 2.79Å; T161-D164 PolarHBondContact OG1-N 2.82Å; T161-D164 VanDerWaalsContact OG1-N 3.15Å; T161-D164 PolarHBondContact OG1-OD2 3.43Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 2.86Å; T161-L165 VanDerWaalsContact O-N 3.08Å; T161-F242 HydrophobicContact CG2-CE2 3.97Å; T161-F242 HydrophobicContact CG2-CZ 4Å
162	Q	97.3	Very high	98	Very high	127 Å²	127	37.4 Å²	37.4	59%	0.593	19%	0.185	S	C	*	.	H	α-helix	trans	-64.5	-29.6	171.8	-66.1	-58.5	-45.8	0	0	112.8	K166	Q162-K166 WeakPolarHBondContact O-CG 3.11Å; Q162-K166 PolarHBondContact O-N 2.78Å
163	D	96.5	Very high	97.9	Very high	84 Å²	84	40.1 Å²	40.1	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-73.5	-38.1	176.4	-71.2	-21.2	0	0	0	111.1	T161 L165 K166 L167	T161-D163 PolarHBondContact O-N 2.82Å; T161-D163 PolarHBondContact OG1-N 3.48Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-L165 PolarHBondContact O-N 2.87Å; D163-K166 WeakPolarHBondContact O-CB 3.46Å; D163-K166 PolarHBondContact O-N 3.04Å; D163-K166 IonicContact OD1-NZ 2.64Å; D163-K166 PolarHBondContact OD1-NZ 3.3Å; D163-L167 WeakPolarHBondContact O-CG 3.36Å; D163-L167 PolarHBondContact O-N 2.76Å
164	D	98.3	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-44.5	171.8	-57.2	-49.8	0	0	0	111.1	V160 T161 K166 L167 Y168 H243	V160-D164 HydrophobicContact CG1-CB 4.07Å; T161-D164 VanDerWaalsContact CB-OD2 3.31Å; T161-D164 WeakPolarHBondContact CB-OD2 3.49Å; T161-D164 WeakPolarHBondContact CG2-OD2 3.5Å; T161-D164 PolarHBondContact N-OD2 2.82Å; T161-D164 PolarHBondContact O-N 2.79Å; T161-D164 PolarHBondContact OG1-N 2.82Å; T161-D164 VanDerWaalsContact OG1-N 3.15Å; T161-D164 PolarHBondContact OG1-OD2 3.43Å; D164-K166 VanDerWaalsContact C-N 3.31Å; D164-K166 PolarHBondContact O-N 3.3Å; D164-L167 WeakPolarHBondContact O-CB 3.32Å; D164-L167 PolarHBondContact O-N 3.21Å; D164-L167 VanDerWaalsContact O-N 3.1Å; D164-Y168 HydrophobicContact CB-CE2 3.91Å; D164-Y168 WeakPolarHBondContact O-CD1 3.21Å; D164-Y168 WeakPolarHBondContact O-CD2 3.46Å; D164-Y168 PolarHBondContact O-N 2.78Å; D164-H243 VanDerWaalsContact CG-NE2 3.29Å; D164-H243 IonicContact OD1-CD2 2.8Å; D164-H243 IonicContact OD1-NE2 3.43Å; D164-H243 PolarHBondContact OD1-NE2 3.46Å; D164-H243 IonicContact OD2-CE1 2.86Å; D164-H243 PolarHBondContact OD2-CE1 3.28Å; D164-H243 IonicContact OD2-NE2 3.27Å; D164-H243 PolarHBondContact OD2-NE2 3.44Å
165	L	97.9	Very high	97.8	Very high	26 Å²	26	44.4 Å²	44.4	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-39.1	175.8	-70.9	-176.9	0	0	0	112.9	V160 T161 D163 L167 Y168 N169 A206 A209	V160-L165 HydrophobicContact CG1-CD2 3.67Å; V160-L165 HydrophobicContact CG1-CG 3.89Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 2.86Å; T161-L165 VanDerWaalsContact O-N 3.08Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-L165 PolarHBondContact O-N 2.87Å; L165-L167 VanDerWaalsContact C-N 3.34Å; L165-Y168 HydrophobicContact CD2-CD2 4.46Å; L165-N169 WeakPolarHBondContact O-CB 3.25Å; L165-N169 PolarHBondContact O-N 3.08Å; L165-N169 PolarHBondContact O-ND2 2.77Å; L165-A206 HydrophobicContact CD2-CB 3.69Å; L165-A209 HydrophobicContact CD1-CB 3.65Å; L165-A209 HydrophobicContact CD2-CB 4.03Å; L165-A209 HydrophobicContact CG-CB 4.05Å
166	K	97.8	Very high	97.7	Very high	124 Å²	124	51.9 Å²	51.9	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-45	175.3	-68.2	168	-163.7	159	0	110.2	Q162 D163 D164 N169 M170	Q162-K166 WeakPolarHBondContact O-CG 3.11Å; Q162-K166 PolarHBondContact O-N 2.78Å; D163-K166 WeakPolarHBondContact O-CB 3.46Å; D163-K166 PolarHBondContact O-N 3.04Å; D163-K166 IonicContact OD1-NZ 2.64Å; D163-K166 PolarHBondContact OD1-NZ 3.3Å; D164-K166 VanDerWaalsContact C-N 3.31Å; D164-K166 PolarHBondContact O-N 3.3Å; K166-N169 PolarHBondContact O-N 3.33Å; K166-M170 WeakPolarHBondContact O-CG 3.41Å; K166-M170 PolarHBondContact O-N 3.19Å
167	L	97.4	Very high	97.6	Very high	33 Å²	33	53.4 Å²	53.4	17%	0.173	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-48	178	-64.1	167.9	0	0	0	111.4	D163 D164 L165 N169 M170 V171 P237 P240	D163-L167 WeakPolarHBondContact O-CG 3.36Å; D163-L167 PolarHBondContact O-N 2.76Å; D164-L167 WeakPolarHBondContact O-CB 3.32Å; D164-L167 PolarHBondContact O-N 3.21Å; D164-L167 VanDerWaalsContact O-N 3.1Å; L165-L167 VanDerWaalsContact C-N 3.34Å; L167-N169 PolarHBondContact O-N 3.4Å; L167-M170 HydrophobicContact CD2-CE 3.55Å; L167-M170 HydrophobicContact CG-CE 4.37Å; L167-M170 PolarHBondContact O-N 3.07Å; L167-V171 PolarHBondContact O-N 2.92Å; L167-P237 WeakPolarHBondContact CD2-O 3.31Å; L167-P240 HydrophobicContact CD1-CG 3.97Å
168	Y	97.9	Very high	97.5	Very high	8 Å²	8	56.2 Å²	56.2	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-40.9	178.7	-54.3	-27.4	0	0	0	112.3	N157 V160 D164 L165 V171 R172 W201 I205 M238	N157-Y168 PolarHBondContact ND2-OH 2.8Å; N157-Y168 PolarHBondContact OD1-OH 3.2Å; V160-Y168 HydrophobicContact CG1-CE2 3.97Å; V160-Y168 HydrophobicContact CG2-CE2 4.4Å; D164-Y168 HydrophobicContact CB-CE2 3.91Å; D164-Y168 WeakPolarHBondContact O-CD1 3.21Å; D164-Y168 WeakPolarHBondContact O-CD2 3.46Å; D164-Y168 PolarHBondContact O-N 2.78Å; L165-Y168 HydrophobicContact CD2-CD2 4.46Å; Y168-V171 VanDerWaalsContact O-CG2 3.27Å; Y168-V171 WeakPolarHBondContact O-CG2 3.5Å; Y168-V171 PolarHBondContact O-N 3.21Å; Y168-R172 PolarHBondContact O-N 2.85Å; Y168-R172 VanDerWaalsContact O-N 3.12Å; Y168-W201 AromaticContact CD1-CH2 3.99Å; Y168-W201 HydrophobicContact CD1-CH2 3.99Å; Y168-W201 HydrophobicContact CE1-CH2 4.35Å; Y168-W201 HydrophobicContact CG-CH2 4.39Å; Y168-I205 HydrophobicContact CD2-CG1 4.26Å; Y168-I205 HydrophobicContact CD2-CG2 3.6Å; Y168-I205 HydrophobicContact CE2-CB 4.46Å; Y168-I205 HydrophobicContact CE2-CG1 3.67Å; Y168-I205 HydrophobicContact CE2-CG2 3.9Å; Y168-I205 HydrophobicContact CG-CG2 4.18Å; Y168-M238 HydrophobicContact CD1-CE 4.32Å
169	N	97.8	Very high	97.4	Very high	80 Å²	80	58.7 Å²	58.7	43%	0.428	31%	0.306	S	S	.	.	H	α-helix	trans	-70.3	-30.7	177.8	-76.3	-58.1	0	0	0	113.2	L165 K166 L167 V171 R172	L165-N169 WeakPolarHBondContact O-CB 3.25Å; L165-N169 PolarHBondContact O-N 3.08Å; L165-N169 PolarHBondContact O-ND2 2.77Å; K166-N169 PolarHBondContact O-N 3.33Å; L167-N169 PolarHBondContact O-N 3.4Å; N169-V171 PolarHBondContact O-N 3.37Å; N169-R172 WeakPolarHBondContact O-CB 3.49Å; N169-R172 PolarHBondContact O-N 3.38Å; N169-R172 PolarHBondContact OD1-NE 3.04Å; N169-R172 PolarHBondContact OD1-NH2 3.38Å
170	M	96.9	Very high	97.1	Very high	130 Å²	130	66.8 Å²	66.8	64%	0.64	34%	0.336	S	S	*	.	H	α-helix	trans	-63.6	-28.4	173.8	-76.8	-169.7	-63.5	0	0	112.7	K166 L167	K166-M170 WeakPolarHBondContact O-CG 3.41Å; K166-M170 PolarHBondContact O-N 3.19Å; L167-M170 HydrophobicContact CD2-CE 3.55Å; L167-M170 HydrophobicContact CG-CE 4.37Å; L167-M170 PolarHBondContact O-N 3.07Å
171	V	96	Very high	96.8	Very high	32 Å²	32	71.8 Å²	71.8	19%	0.194	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	4.3	178.6	-58.5	0	0	0	0	113.5	L167 Y168 N169 D173 W177 W198 M238	L167-V171 PolarHBondContact O-N 2.92Å; Y168-V171 VanDerWaalsContact O-CG2 3.27Å; Y168-V171 WeakPolarHBondContact O-CG2 3.5Å; Y168-V171 PolarHBondContact O-N 3.21Å; N169-V171 PolarHBondContact O-N 3.37Å; V171-D173 PolarHBondContact O-N 2.74Å; V171-W177 HydrophobicContact CB-CZ2 3.99Å; V171-W177 HydrophobicContact CG2-CZ2 4.49Å; V171-W177 WeakPolarHBondContact O-CZ2 3.25Å; V171-W177 PolarHBondContact O-NE1 3.5Å; V171-W198 HydrophobicContact CG2-CZ2 3.88Å; V171-W198 PolarHBondContact O-NE1 2.7Å; V171-M238 HydrophobicContact CG1-SD 4.08Å; V171-M238 HydrophobicContact CG2-CE 4.05Å; V171-M238 HydrophobicContact CG2-SD 4.49Å
172	R	98.1	Very high	96.7	Very high	60 Å²	60	72.6 Å²	72.6	23%	0.226	36%	0.359	C	S	.	.	S	Bend	trans	-59.7	-45.7	-179.4	178.5	-177.4	-74.7	-91.7	7.6	112.6	Y168 N169 V174 E199 V202 D203	Y168-R172 PolarHBondContact O-N 2.85Å; Y168-R172 VanDerWaalsContact O-N 3.12Å; N169-R172 WeakPolarHBondContact O-CB 3.49Å; N169-R172 PolarHBondContact O-N 3.38Å; N169-R172 PolarHBondContact OD1-NE 3.04Å; N169-R172 PolarHBondContact OD1-NH2 3.38Å; R172-V174 PolarHBondContact O-N 2.91Å; R172-V174 VanDerWaalsContact O-N 3.11Å; R172-E199 HydrophobicContact CG-CG 4.14Å; R172-E199 PolarHBondContact NH1-O 2.82Å; R172-V202 HydrophobicContact CB-CG1 4.45Å; R172-V202 HydrophobicContact CB-CG2 4.12Å; R172-V202 HydrophobicContact CG-CB 4.49Å; R172-V202 HydrophobicContact CG-CG2 4.27Å; R172-V202 VanDerWaalsContact CZ-CG1 3.43Å; R172-D203 IonicContact CZ-OD1 3.35Å; R172-D203 IonicContact NH1-OD1 3.68Å; R172-D203 PolarHBondContact NH1-OD1 3.43Å; R172-D203 IonicContact NH1-OD2 3.62Å; R172-D203 IonicContact NH2-OD1 3.7Å; R172-D203 PolarHBondContact NH2-OD1 3.26Å
173	D	97.9	Very high	96.6	Very high	58 Å²	58	71.4 Å²	71.4	31%	0.31	35%	0.354	S	S	.	.			trans	-80.4	95.6	179.6	178.3	0.4	0	0	0	109.6	V171 S175 K176	V171-D173 PolarHBondContact O-N 2.74Å; D173-S175 VanDerWaalsContact CG-OG 3.31Å; D173-S175 PolarHBondContact O-N 3.36Å; D173-S175 VanDerWaalsContact O-N 3.14Å; D173-S175 VanDerWaalsContact OD1-CB 3.27Å; D173-S175 WeakPolarHBondContact OD1-CB 3.38Å; D173-S175 PolarHBondContact OD1-N 3.4Å; D173-S175 PolarHBondContact OD1-OG 3.49Å; D173-S175 PolarHBondContact OD2-OG 3.47Å; D173-K176 HydrophobicContact CB-CD 4.14Å; D173-K176 HydrophobicContact CB-CG 4.46Å; D173-K176 PolarHBondContact O-N 2.77Å; D173-K176 VanDerWaalsContact O-N 3.16Å; D173-K176 WeakPolarHBondContact OD2-CD 3.31Å; D173-K176 WeakPolarHBondContact OD2-CE 3.07Å; D173-K176 IonicContact OD2-NZ 3.85Å; D173-K176 PolarHBondContact OD2-NZ 3.02Å
174	V	97.7	Very high	96.5	Very high	10 Å²	10	70 Å²	70	6%	0.061	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-60.9	-23.5	-178.6	-59.9	0	0	0	0	112.1	R172 K176 W177 R182 F194 A195 W198	R172-V174 PolarHBondContact O-N 2.91Å; R172-V174 VanDerWaalsContact O-N 3.11Å; V174-K176 PolarHBondContact O-N 3.11Å; V174-K176 VanDerWaalsContact O-N 3.15Å; V174-W177 HydrophobicContact CG1-CZ2 4.38Å; V174-W177 VanDerWaalsContact O-CB 3.29Å; V174-W177 WeakPolarHBondContact O-CB 3.47Å; V174-W177 PolarHBondContact O-N 3.08Å; V174-R182 WeakPolarHBondContact O-CD 3.42Å; V174-F194 HydrophobicContact CB-CD1 4.37Å; V174-F194 HydrophobicContact CB-CE1 3.63Å; V174-F194 HydrophobicContact CB-CZ 3.91Å; V174-F194 HydrophobicContact CG1-CE1 3.8Å; V174-F194 HydrophobicContact CG1-CE2 4.17Å; V174-F194 HydrophobicContact CG1-CZ 3.58Å; V174-F194 HydrophobicContact CG2-CD1 4.15Å; V174-F194 HydrophobicContact CG2-CE1 3.9Å; V174-A195 HydrophobicContact CG2-CB 3.6Å; V174-W198 HydrophobicContact CG1-CB 3.75Å; V174-W198 HydrophobicContact CG1-CD2 4.35Å; V174-W198 HydrophobicContact CG1-CG 3.53Å
175	S	96.8	Very high	96.5	Very high	82 Å²	82	71 Å²	71	57%	0.573	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-63	-23.1	179.4	77.2	0	0	0	0	113.3	D173 W177	D173-S175 VanDerWaalsContact CG-OG 3.31Å; D173-S175 PolarHBondContact O-N 3.36Å; D173-S175 VanDerWaalsContact O-N 3.14Å; D173-S175 VanDerWaalsContact OD1-CB 3.27Å; D173-S175 WeakPolarHBondContact OD1-CB 3.38Å; D173-S175 PolarHBondContact OD1-N 3.4Å; D173-S175 PolarHBondContact OD1-OG 3.49Å; D173-S175 PolarHBondContact OD2-OG 3.47Å; S175-W177 VanDerWaalsContact C-N 3.33Å
176	K	96.9	Very high	96.5	Very high	162 Å²	162	71.9 Å²	71.9	70%	0.704	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-82.7	-8.7	177.2	-66	174.4	-178.7	154.5	0	113.7	D173 V174	D173-K176 HydrophobicContact CB-CD 4.14Å; D173-K176 HydrophobicContact CB-CG 4.46Å; D173-K176 PolarHBondContact O-N 2.77Å; D173-K176 VanDerWaalsContact O-N 3.16Å; D173-K176 WeakPolarHBondContact OD2-CD 3.31Å; D173-K176 WeakPolarHBondContact OD2-CE 3.07Å; D173-K176 IonicContact OD2-NZ 3.85Å; D173-K176 PolarHBondContact OD2-NZ 3.02Å; V174-K176 PolarHBondContact O-N 3.11Å; V174-K176 VanDerWaalsContact O-N 3.15Å
177	W	96.2	Very high	96.4	Very high	36 Å²	36	72.6 Å²	72.6	14%	0.136	36%	0.363	C	S	.	.	S	Bend	trans	-74.3	153.1	-179.6	-67.6	23.1	0	0	0	111.1	V171 V174 S175 M181 R182 F194 W198	V171-W177 HydrophobicContact CB-CZ2 3.99Å; V171-W177 HydrophobicContact CG2-CZ2 4.49Å; V171-W177 WeakPolarHBondContact O-CZ2 3.25Å; V171-W177 PolarHBondContact O-NE1 3.5Å; V174-W177 HydrophobicContact CG1-CZ2 4.38Å; V174-W177 VanDerWaalsContact O-CB 3.29Å; V174-W177 WeakPolarHBondContact O-CB 3.47Å; V174-W177 PolarHBondContact O-N 3.08Å; S175-W177 VanDerWaalsContact C-N 3.33Å; W177-M181 HydrophobicContact CD2-CE 4.36Å; W177-M181 HydrophobicContact CE3-CB 3.93Å; W177-M181 HydrophobicContact CE3-CE 3.99Å; W177-M181 HydrophobicContact CZ3-CE 4.17Å; W177-R182 HydrophobicContact CB-CG 3.48Å; W177-R182 VanDerWaalsContact CB-CG 3.48Å; W177-R182 HydrophobicContact CE3-CG 4.37Å; W177-R182 HydrophobicContact CG-CG 4.35Å; W177-F194 HydrophobicContact CE3-CZ 4.1Å; W177-F194 HydrophobicContact CH2-CZ 4.42Å; W177-F194 AromaticContact CZ3-CZ 3.86Å; W177-F194 HydrophobicContact CZ3-CZ 3.86Å; W177-W198 AromaticContact CH2-CD2 3.79Å; W177-W198 HydrophobicContact CH2-CD2 3.79Å; W177-W198 AromaticContact CH2-CE2 3.53Å; W177-W198 AromaticContact CH2-CE3 3.84Å; W177-W198 HydrophobicContact CH2-CE3 3.84Å; W177-W198 AromaticContact CH2-CH2 3.51Å; W177-W198 HydrophobicContact CH2-CH2 3.51Å; W177-W198 AromaticContact CH2-CZ2 3.4Å; W177-W198 HydrophobicContact CH2-CZ2 3.4Å; W177-W198 AromaticContact CH2-CZ3 3.71Å; W177-W198 HydrophobicContact CH2-CZ3 3.71Å; W177-W198 AromaticContact CZ2-CD2 3.9Å; W177-W198 HydrophobicContact CZ2-CD2 3.9Å; W177-W198 AromaticContact CZ2-CE2 3.25Å; W177-W198 HydrophobicContact CZ2-CE3 4.41Å; W177-W198 AromaticContact CZ2-CH2 3.89Å; W177-W198 HydrophobicContact CZ2-CH2 3.89Å; W177-W198 AromaticContact CZ2-CZ2 3.26Å; W177-W198 HydrophobicContact CZ2-CZ2 3.26Å; W177-W198 HydrophobicContact CZ2-CZ3 4.41Å; W177-W198 AromaticContact CZ2-NE1 3.49Å
178	S	95.8	Very high	96.4	Very high	64 Å²	64	72.6 Å²	72.6	45%	0.448	36%	0.364	S	S	.	.			trans	-58.6	143.6	172.1	73.7	0	0	0	0	111	R180 M181 R182	S178-R180 PolarHBondContact O-N 2.64Å; S178-R180 VanDerWaalsContact O-N 3.13Å; S178-M181 PolarHBondContact O-N 3.02Å; S178-M181 WeakPolarHBondContact OG-CG 3.2Å; S178-M181 PolarHBondContact OG-N 3.15Å; S178-R182 PolarHBondContact O-N 3.43Å; S178-R182 VanDerWaalsContact O-N 3.14Å
179	A	95.9	Very high	96.4	Very high	52 Å²	52	73 Å²	73	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-52.3	-38.9	177	0	0	0	0	0	112	M181 R182 Q183	A179-M181 VanDerWaalsContact C-N 3.27Å; A179-M181 PolarHBondContact O-N 3.33Å; A179-R182 PolarHBondContact O-N 2.9Å; A179-Q183 WeakPolarHBondContact O-CB 3.36Å; A179-Q183 VanDerWaalsContact O-CG 3.24Å; A179-Q183 WeakPolarHBondContact O-CG 3.5Å; A179-Q183 PolarHBondContact O-N 2.9Å
180	R	93.4	Very high	96.3	Very high	192 Å²	192	70.8 Å²	70.8	73%	0.725	36%	0.362	S	S	*	.	H	α-helix	trans	-56.9	-35.5	175.8	-178.6	179.6	176.1	-179.1	0.9	113.7	S178 P184	S178-R180 PolarHBondContact O-N 2.64Å; S178-R180 VanDerWaalsContact O-N 3.13Å; R180-P184 WeakPolarHBondContact O-CD 3.31Å
181	M	92	Very high	96.4	Very high	110 Å²	110	67.1 Å²	67.1	54%	0.542	35%	0.352	S	S	.	.	H	α-helix	trans	-83	-34.7	178.6	-72.2	177.2	64.6	0	0	112.3	W177 S178 A179	W177-M181 HydrophobicContact CD2-CE 4.36Å; W177-M181 HydrophobicContact CE3-CB 3.93Å; W177-M181 HydrophobicContact CE3-CE 3.99Å; W177-M181 HydrophobicContact CZ3-CE 4.17Å; S178-M181 PolarHBondContact O-N 3.02Å; S178-M181 WeakPolarHBondContact OG-CG 3.2Å; S178-M181 PolarHBondContact OG-N 3.15Å; A179-M181 VanDerWaalsContact C-N 3.27Å; A179-M181 PolarHBondContact O-N 3.33Å
182	R	95.7	Very high	96.4	Very high	54 Å²	54	73.7 Å²	73.7	20%	0.204	38%	0.381	C	S	.	.	H	α-helix	trans	-79.3	-46	-177.4	-58.6	-175.8	-30.9	94.4	21.6	113	V174 W177 S178 A179 M185 E186 F194	V174-R182 WeakPolarHBondContact O-CD 3.42Å; W177-R182 HydrophobicContact CB-CG 3.48Å; W177-R182 VanDerWaalsContact CB-CG 3.48Å; W177-R182 HydrophobicContact CE3-CG 4.37Å; W177-R182 HydrophobicContact CG-CG 4.35Å; S178-R182 PolarHBondContact O-N 3.43Å; S178-R182 VanDerWaalsContact O-N 3.14Å; A179-R182 PolarHBondContact O-N 2.9Å; R182-M185 WeakPolarHBondContact O-CA 3.46Å; R182-M185 WeakPolarHBondContact O-CB 3.4Å; R182-M185 PolarHBondContact O-N 3.49Å; R182-E186 HydrophobicContact CB-CG 4.39Å; R182-E186 IonicContact CZ-OE1 2.81Å; R182-E186 VanDerWaalsContact CZ-OE1 3.26Å; R182-E186 IonicContact CZ-OE2 2.9Å; R182-E186 VanDerWaalsContact NH1-CD 3.25Å; R182-E186 IonicContact NH1-OE1 3.24Å; R182-E186 PolarHBondContact NH1-OE1 3.48Å; R182-E186 IonicContact NH1-OE2 2.74Å; R182-E186 VanDerWaalsContact NH2-CD 3.29Å; R182-E186 IonicContact NH2-OE1 3.59Å; R182-E186 PolarHBondContact NH2-OE1 3.1Å; R182-E186 VanDerWaalsContact NH2-OE1 3.14Å; R182-E186 IonicContact NH2-OE2 3.67Å; R182-E186 PolarHBondContact NH2-OE2 2.89Å; R182-E186 WeakPolarHBondContact O-CG 3.24Å; R182-E186 PolarHBondContact O-N 3.23Å; R182-F194 HydrophobicContact CB-CE1 4.2Å; R182-F194 HydrophobicContact CG-CE1 4.25Å
183	Q	96.1	Very high	96.4	Very high	102 Å²	102	72.1 Å²	72.1	48%	0.477	38%	0.381	S	S	.	.	H	α-helix	trans	-52.9	-45.7	-169.1	-78.2	172	-19.8	0	0	113.5	A179 M185 E186 E187	A179-Q183 WeakPolarHBondContact O-CB 3.36Å; A179-Q183 VanDerWaalsContact O-CG 3.24Å; A179-Q183 WeakPolarHBondContact O-CG 3.5Å; A179-Q183 PolarHBondContact O-N 2.9Å; Q183-M185 VanDerWaalsContact C-N 3.28Å; Q183-M185 PolarHBondContact O-N 3.34Å; Q183-E186 PolarHBondContact O-N 2.84Å; Q183-E187 WeakPolarHBondContact O-CG 3.25Å; Q183-E187 PolarHBondContact O-N 3.38Å
184	P	95.2	Very high	96.4	Very high	54 Å²	54	69.4 Å²	69.4	35%	0.351	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-37.4	177.5	-23.3	34.8	0	0	0	113	T67 R180 V188	T67-P184 HydrophobicContact CG2-CB 4.45Å; R180-P184 WeakPolarHBondContact O-CD 3.31Å; P184-V188 WeakPolarHBondContact O-CG2 3.18Å; P184-V188 PolarHBondContact O-N 3.36Å
185	M	96.9	Very high	96.5	Very high	23 Å²	23	70.1 Å²	70.1	11%	0.113	37%	0.373	C	S	.	.	H	α-helix	trans	-72.9	-40	177.1	-60.9	-55.5	-153.5	0	0	111.5	L62 T67 R182 Q183 E187 V188 Y189 F194	L62-M185 HydrophobicContact CB-CE 4.1Å; T67-M185 HydrophobicContact CG2-SD 4.2Å; R182-M185 WeakPolarHBondContact O-CA 3.46Å; R182-M185 WeakPolarHBondContact O-CB 3.4Å; R182-M185 PolarHBondContact O-N 3.49Å; Q183-M185 VanDerWaalsContact C-N 3.28Å; Q183-M185 PolarHBondContact O-N 3.34Å; M185-E187 VanDerWaalsContact C-N 3.31Å; M185-E187 PolarHBondContact O-N 3.09Å; M185-V188 PolarHBondContact O-N 3.42Å; M185-V188 VanDerWaalsContact O-N 3.14Å; M185-Y189 HydrophobicContact CB-CD2 4.36Å; M185-Y189 VanDerWaalsContact O-CD2 3.26Å; M185-Y189 WeakPolarHBondContact O-CD2 3.35Å; M185-Y189 PolarHBondContact O-N 3.35Å; M185-Y189 HydrophobicContact SD-CE2 4.12Å; M185-F194 HydrophobicContact CB-CD1 4.17Å; M185-F194 HydrophobicContact CB-CD2 3.57Å; M185-F194 HydrophobicContact CB-CE1 4.16Å; M185-F194 HydrophobicContact CB-CE2 3.58Å; M185-F194 HydrophobicContact CB-CG 3.89Å; M185-F194 HydrophobicContact CB-CZ 3.89Å; M185-F194 HydrophobicContact CG-CD2 4.24Å; M185-F194 HydrophobicContact CG-CE2 3.82Å; M185-F194 HydrophobicContact CG-CZ 4.16Å
186	E	97.5	Very high	96.5	Very high	44 Å²	44	72.5 Å²	72.5	21%	0.206	37%	0.373	C	S	.	.	H	α-helix	trans	-64.3	-34.9	175.5	-65	-173.9	130	0	0	112.4	R182 Q183 V188 G190 A191 F194	R182-E186 HydrophobicContact CB-CG 4.39Å; R182-E186 IonicContact CZ-OE1 2.81Å; R182-E186 VanDerWaalsContact CZ-OE1 3.26Å; R182-E186 IonicContact CZ-OE2 2.9Å; R182-E186 VanDerWaalsContact NH1-CD 3.25Å; R182-E186 IonicContact NH1-OE1 3.24Å; R182-E186 PolarHBondContact NH1-OE1 3.48Å; R182-E186 IonicContact NH1-OE2 2.74Å; R182-E186 VanDerWaalsContact NH2-CD 3.29Å; R182-E186 IonicContact NH2-OE1 3.59Å; R182-E186 PolarHBondContact NH2-OE1 3.1Å; R182-E186 VanDerWaalsContact NH2-OE1 3.14Å; R182-E186 IonicContact NH2-OE2 3.67Å; R182-E186 PolarHBondContact NH2-OE2 2.89Å; R182-E186 WeakPolarHBondContact O-CG 3.24Å; R182-E186 PolarHBondContact O-N 3.23Å; Q183-E186 PolarHBondContact O-N 2.84Å; E186-V188 VanDerWaalsContact C-N 3.28Å; E186-V188 PolarHBondContact O-N 3.38Å; E186-G190 WeakPolarHBondContact O-CA 3.45Å; E186-G190 PolarHBondContact O-N 2.8Å; E186-A191 HydrophobicContact CG-CB 4.25Å; E186-A191 VanDerWaalsContact OE1-CB 3.28Å; E186-A191 WeakPolarHBondContact OE1-CB 3.26Å; E186-F194 HydrophobicContact CG-CD1 3.96Å
187	E	96.8	Very high	96.6	Very high	139 Å²	139	65.2 Å²	65.2	65%	0.65	34%	0.342	S	S	*	.	H	α-helix	trans	-65.4	-31.3	173.2	-76	175.2	-162.1	0	0	112.7	Q183 M185	Q183-E187 WeakPolarHBondContact O-CG 3.25Å; Q183-E187 PolarHBondContact O-N 3.38Å; M185-E187 VanDerWaalsContact C-N 3.31Å; M185-E187 PolarHBondContact O-N 3.09Å
188	V	96.4	Very high	96.7	Very high	33 Å²	33	64.4 Å²	64.4	20%	0.2	34%	0.339	C	S	.	.	H	α-helix	trans	-83.6	-46	-179.9	172.7	0	0	0	0	111.4	K66 T67 P184 M185 E186	K66-V188 HydrophobicContact CD-CG2 4.39Å; T67-V188 HydrophobicContact CG2-CG2 3.95Å; P184-V188 WeakPolarHBondContact O-CG2 3.18Å; P184-V188 PolarHBondContact O-N 3.36Å; M185-V188 PolarHBondContact O-N 3.42Å; M185-V188 VanDerWaalsContact O-N 3.14Å; E186-V188 VanDerWaalsContact C-N 3.28Å; E186-V188 PolarHBondContact O-N 3.38Å
189	Y	97.6	Very high	96.9	Very high	15 Å²	15	65.5 Å²	65.5	6%	0.059	34%	0.337	C	S	.	.	H	α-helix	trans	-106.4	-22.7	-168.9	-60	-68.4	0	0	0	113.9	L62 Y91 G92 M185 A193 I197	L62-Y189 HydrophobicContact CB-CE2 4.1Å; L62-Y189 VanDerWaalsContact O-CE2 3.32Å; L62-Y189 WeakPolarHBondContact O-CE2 3.35Å; L62-Y189 PolarHBondContact O-OH 2.92Å; Y91-Y189 WeakPolarHBondContact CA-OH 3.47Å; Y91-Y189 WeakPolarHBondContact CB-OH 3.39Å; G92-Y189 PolarHBondContact N-OH 3.15Å; M185-Y189 HydrophobicContact CB-CD2 4.36Å; M185-Y189 VanDerWaalsContact O-CD2 3.26Å; M185-Y189 WeakPolarHBondContact O-CD2 3.35Å; M185-Y189 PolarHBondContact O-N 3.35Å; M185-Y189 HydrophobicContact SD-CE2 4.12Å; Y189-A193 WeakPolarHBondContact O-CB 3.46Å; Y189-I197 HydrophobicContact CD1-CD1 4.14Å
190	G	97.6	Very high	97	Very high	34 Å²	34	66 Å²	66	35%	0.351	33%	0.332	S	S	.	.			trans	80.5	148	-159.1	0	0	0	0	0	111.4	E186 E192 A193 F194	E186-G190 WeakPolarHBondContact O-CA 3.45Å; E186-G190 PolarHBondContact O-N 2.8Å; G190-E192 PolarHBondContact O-N 2.74Å; G190-A193 PolarHBondContact O-N 2.99Å; G190-F194 VanDerWaalsContact O-CB 3.25Å; G190-F194 WeakPolarHBondContact O-CB 2.96Å; G190-F194 PolarHBondContact O-N 2.76Å
191	A	97.4	Very high	97.2	Very high	53 Å²	53	57.1 Å²	57.1	44%	0.438	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-44.4	-172.4	0	0	0	0	0	113.9	E186 A195	E186-A191 HydrophobicContact CG-CB 4.25Å; E186-A191 VanDerWaalsContact OE1-CB 3.28Å; E186-A191 WeakPolarHBondContact OE1-CB 3.26Å; A191-A195 WeakPolarHBondContact O-CB 3.42Å; A191-A195 PolarHBondContact O-N 2.92Å; A191-A195 VanDerWaalsContact O-N 3.09Å
192	E	97.5	Very high	97.6	Very high	170 Å²	170	51.9 Å²	51.9	79%	0.794	27%	0.273	S	S	*	.	H	α-helix	trans	-67.6	-48.2	-178.8	-174.1	-178.3	170.8	0	0	112	G190 A195 K196	G190-E192 PolarHBondContact O-N 2.74Å; E192-A195 PolarHBondContact O-N 2.91Å; E192-K196 WeakPolarHBondContact O-CB 3.45Å; E192-K196 PolarHBondContact O-N 2.91Å
193	A	97.5	Very high	97.7	Very high	28 Å²	28	53.5 Å²	53.5	23%	0.231	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-38.3	179.6	0	0	0	0	0	111.5	Y189 G190 K196 I197	Y189-A193 WeakPolarHBondContact O-CB 3.46Å; G190-A193 PolarHBondContact O-N 2.99Å; A193-K196 PolarHBondContact O-N 3.11Å; A193-I197 WeakPolarHBondContact O-CB 3.45Å; A193-I197 WeakPolarHBondContact O-CD1 3.2Å; A193-I197 WeakPolarHBondContact O-CG1 3.41Å; A193-I197 PolarHBondContact O-N 2.84Å
194	F	98.3	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.1	-53.1	173.4	167.5	-131.6	0	0	0	111.3	L62 V174 W177 R182 M185 E186 G190 K196 I197 W198	L62-F194 HydrophobicContact CD2-CD2 3.63Å; L62-F194 HydrophobicContact CD2-CE2 3.95Å; V174-F194 HydrophobicContact CB-CD1 4.37Å; V174-F194 HydrophobicContact CB-CE1 3.63Å; V174-F194 HydrophobicContact CB-CZ 3.91Å; V174-F194 HydrophobicContact CG1-CE1 3.8Å; V174-F194 HydrophobicContact CG1-CE2 4.17Å; V174-F194 HydrophobicContact CG1-CZ 3.58Å; V174-F194 HydrophobicContact CG2-CD1 4.15Å; V174-F194 HydrophobicContact CG2-CE1 3.9Å; W177-F194 HydrophobicContact CE3-CZ 4.1Å; W177-F194 HydrophobicContact CH2-CZ 4.42Å; W177-F194 AromaticContact CZ3-CZ 3.86Å; W177-F194 HydrophobicContact CZ3-CZ 3.86Å; R182-F194 HydrophobicContact CB-CE1 4.2Å; R182-F194 HydrophobicContact CG-CE1 4.25Å; M185-F194 HydrophobicContact CB-CD1 4.17Å; M185-F194 HydrophobicContact CB-CD2 3.57Å; M185-F194 HydrophobicContact CB-CE1 4.16Å; M185-F194 HydrophobicContact CB-CE2 3.58Å; M185-F194 HydrophobicContact CB-CG 3.89Å; M185-F194 HydrophobicContact CB-CZ 3.89Å; M185-F194 HydrophobicContact CG-CD2 4.24Å; M185-F194 HydrophobicContact CG-CE2 3.82Å; M185-F194 HydrophobicContact CG-CZ 4.16Å; E186-F194 HydrophobicContact CG-CD1 3.96Å; G190-F194 VanDerWaalsContact O-CB 3.25Å; G190-F194 WeakPolarHBondContact O-CB 2.96Å; G190-F194 PolarHBondContact O-N 2.76Å; F194-K196 VanDerWaalsContact C-N 3.34Å; F194-K196 PolarHBondContact O-N 3.25Å; F194-I197 PolarHBondContact O-N 2.62Å; F194-W198 HydrophobicContact CE2-CB 4.3Å; F194-W198 HydrophobicContact CE2-CE3 4.41Å; F194-W198 VanDerWaalsContact O-CB 3.3Å; F194-W198 WeakPolarHBondContact O-CB 3.4Å; F194-W198 PolarHBondContact O-N 3.38Å
195	A	98.4	Very high	98	Very high	25 Å²	25	46.3 Å²	46.3	21%	0.207	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-47.8	179.4	0	0	0	0	0	111.6	V174 A191 E192 W198 E199	V174-A195 HydrophobicContact CG2-CB 3.6Å; A191-A195 WeakPolarHBondContact O-CB 3.42Å; A191-A195 PolarHBondContact O-N 2.92Å; A191-A195 VanDerWaalsContact O-N 3.09Å; E192-A195 PolarHBondContact O-N 2.91Å; A195-W198 PolarHBondContact O-N 2.84Å; A195-E199 WeakPolarHBondContact O-CG 3.38Å; A195-E199 PolarHBondContact O-N 3.48Å
196	K	98.4	Very high	98.1	Very high	132 Å²	132	46.3 Å²	46.3	57%	0.574	25%	0.253	S	S	*	.	H	α-helix	trans	-63.5	-45.8	-179.7	-175	177.4	-178.7	179.8	0	113	E192 A193 F194 W198 E199 N200	E192-K196 WeakPolarHBondContact O-CB 3.45Å; E192-K196 PolarHBondContact O-N 2.91Å; A193-K196 PolarHBondContact O-N 3.11Å; F194-K196 VanDerWaalsContact C-N 3.34Å; F194-K196 PolarHBondContact O-N 3.25Å; K196-W198 VanDerWaalsContact C-N 3.29Å; K196-W198 PolarHBondContact O-N 3.1Å; K196-E199 PolarHBondContact O-N 2.76Å; K196-N200 WeakPolarHBondContact O-CB 3.3Å; K196-N200 PolarHBondContact O-N 3.4Å; K196-N200 PolarHBondContact O-ND2 3.36Å
197	I	98.4	Very high	98.1	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-38.4	179.2	-63.6	164.4	0	0	0	109.8	L62 Y91 R99 F101 Y189 A193 F194 N200 W201	L62-I197 HydrophobicContact CD1-CG2 3.83Å; L62-I197 HydrophobicContact CD2-CB 3.91Å; L62-I197 HydrophobicContact CD2-CG2 3.72Å; L62-I197 HydrophobicContact CG-CB 4.36Å; L62-I197 HydrophobicContact CG-CG2 3.61Å; Y91-I197 HydrophobicContact CE1-CG2 4.03Å; R99-I197 HydrophobicContact CB-CG2 4.02Å; R99-I197 HydrophobicContact CG-CG2 4.29Å; F101-I197 HydrophobicContact CE2-CG2 4.45Å; F101-I197 HydrophobicContact CZ-CG2 4.41Å; Y189-I197 HydrophobicContact CD1-CD1 4.14Å; A193-I197 WeakPolarHBondContact O-CB 3.45Å; A193-I197 WeakPolarHBondContact O-CD1 3.2Å; A193-I197 WeakPolarHBondContact O-CG1 3.41Å; A193-I197 PolarHBondContact O-N 2.84Å; F194-I197 PolarHBondContact O-N 2.62Å; I197-N200 PolarHBondContact O-N 3.48Å; I197-W201 WeakPolarHBondContact O-CB 3.4Å; I197-W201 PolarHBondContact O-N 3.36Å
198	W	98.6	Very high	98.2	Very high	19 Å²	19	39.9 Å²	39.9	7%	0.072	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-45.1	177.1	-173.1	-95	0	0	0	112.2	A61 L62 V171 V174 W177 F194 A195 K196 N200 W201 V202	A61-W198 HydrophobicContact CB-CH2 4.36Å; A61-W198 HydrophobicContact CB-CZ3 3.92Å; L62-W198 HydrophobicContact CD1-CE3 3.73Å; L62-W198 HydrophobicContact CD1-CZ3 4.26Å; L62-W198 HydrophobicContact CD2-CB 4.11Å; L62-W198 HydrophobicContact CD2-CE3 4.13Å; L62-W198 HydrophobicContact CG-CE3 4.36Å; V171-W198 HydrophobicContact CG2-CZ2 3.88Å; V171-W198 PolarHBondContact O-NE1 2.7Å; V174-W198 HydrophobicContact CG1-CB 3.75Å; V174-W198 HydrophobicContact CG1-CD2 4.35Å; V174-W198 HydrophobicContact CG1-CG 3.53Å; W177-W198 AromaticContact CH2-CD2 3.79Å; W177-W198 HydrophobicContact CH2-CD2 3.79Å; W177-W198 AromaticContact CH2-CE2 3.53Å; W177-W198 AromaticContact CH2-CE3 3.84Å; W177-W198 HydrophobicContact CH2-CE3 3.84Å; W177-W198 AromaticContact CH2-CH2 3.51Å; W177-W198 HydrophobicContact CH2-CH2 3.51Å; W177-W198 AromaticContact CH2-CZ2 3.4Å; W177-W198 HydrophobicContact CH2-CZ2 3.4Å; W177-W198 AromaticContact CH2-CZ3 3.71Å; W177-W198 HydrophobicContact CH2-CZ3 3.71Å; W177-W198 AromaticContact CZ2-CD2 3.9Å; W177-W198 HydrophobicContact CZ2-CD2 3.9Å; W177-W198 AromaticContact CZ2-CE2 3.25Å; W177-W198 HydrophobicContact CZ2-CE3 4.41Å; W177-W198 AromaticContact CZ2-CH2 3.89Å; W177-W198 HydrophobicContact CZ2-CH2 3.89Å; W177-W198 AromaticContact CZ2-CZ2 3.26Å; W177-W198 HydrophobicContact CZ2-CZ2 3.26Å; W177-W198 HydrophobicContact CZ2-CZ3 4.41Å; W177-W198 AromaticContact CZ2-NE1 3.49Å; F194-W198 HydrophobicContact CE2-CB 4.3Å; F194-W198 HydrophobicContact CE2-CE3 4.41Å; F194-W198 VanDerWaalsContact O-CB 3.3Å; F194-W198 WeakPolarHBondContact O-CB 3.4Å; F194-W198 PolarHBondContact O-N 3.38Å; A195-W198 PolarHBondContact O-N 2.84Å; K196-W198 VanDerWaalsContact C-N 3.29Å; K196-W198 PolarHBondContact O-N 3.1Å; W198-N200 VanDerWaalsContact C-N 3.34Å; W198-N200 PolarHBondContact O-N 3.01Å; W198-W201 HydrophobicContact CD2-CE3 4.22Å; W198-W201 AromaticContact CE2-CE3 3.87Å; W198-W201 AromaticContact CE2-CZ3 3.96Å; W198-W201 HydrophobicContact CE3-CE3 4.42Å; W198-W201 AromaticContact CH2-CE3 3.94Å; W198-W201 HydrophobicContact CH2-CE3 3.94Å; W198-W201 HydrophobicContact CH2-CH2 4.22Å; W198-W201 AromaticContact CH2-CZ3 3.74Å; W198-W201 HydrophobicContact CH2-CZ3 3.74Å; W198-W201 AromaticContact CZ2-CE3 3.73Å; W198-W201 HydrophobicContact CZ2-CE3 3.73Å; W198-W201 HydrophobicContact CZ2-CH2 4.23Å; W198-W201 AromaticContact CZ2-CZ3 3.41Å; W198-W201 HydrophobicContact CZ2-CZ3 3.41Å; W198-W201 VanDerWaalsContact CZ2-CZ3 3.41Å; W198-W201 HydrophobicContact CZ3-CE3 4.3Å; W198-W201 WeakPolarHBondContact O-CB 3.34Å; W198-W201 PolarHBondContact O-N 3.01Å; W198-W201 VanDerWaalsContact O-N 3.13Å; W198-V202 WeakPolarHBondContact O-CG2 3.24Å; W198-V202 PolarHBondContact O-N 3.14Å
199	E	98.6	Very high	98.2	Very high	87 Å²	87	39.5 Å²	39.5	41%	0.407	22%	0.223	S	C	.	.	H	α-helix	trans	-59.3	-45	173.9	-75	178.3	-177.4	0	0	112	R172 A195 K196 W201 V202 D203	R172-E199 HydrophobicContact CG-CG 4.14Å; R172-E199 PolarHBondContact NH1-O 2.82Å; A195-E199 WeakPolarHBondContact O-CG 3.38Å; A195-E199 PolarHBondContact O-N 3.48Å; K196-E199 PolarHBondContact O-N 2.76Å; E199-W201 VanDerWaalsContact C-N 3.27Å; E199-W201 PolarHBondContact O-N 2.96Å; E199-V202 PolarHBondContact O-N 3.13Å; E199-V202 VanDerWaalsContact O-N 3.14Å; E199-D203 PolarHBondContact O-N 3.33Å
200	N	98.7	Very high	98.2	Very high	61 Å²	61	47.6 Å²	47.6	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-35.2	175.3	-72.8	-12.9	0	0	0	112.1	F101 K196 I197 W198 D203 G204	F101-N200 HydrophobicContact CD2-CB 3.86Å; F101-N200 WeakPolarHBondContact CD2-O 3.39Å; F101-N200 HydrophobicContact CE2-CB 3.8Å; K196-N200 WeakPolarHBondContact O-CB 3.3Å; K196-N200 PolarHBondContact O-N 3.4Å; K196-N200 PolarHBondContact O-ND2 3.36Å; I197-N200 PolarHBondContact O-N 3.48Å; W198-N200 VanDerWaalsContact C-N 3.34Å; W198-N200 PolarHBondContact O-N 3.01Å; N200-D203 PolarHBondContact O-N 3.29Å; N200-G204 PolarHBondContact O-N 3Å
201	W	98.8	Very high	98.2	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-45.1	173.3	170.5	82.4	0	0	0	111	A61 L62 F101 D132 Y168 I197 W198 E199 D203 G204 I205	A61-W201 HydrophobicContact CB-CD2 3.9Å; A61-W201 VanDerWaalsContact CB-CE2 3.48Å; A61-W201 HydrophobicContact CB-CG 4.07Å; A61-W201 HydrophobicContact CB-CZ2 3.96Å; A61-W201 VanDerWaalsContact CB-NE1 3.33Å; L62-W201 HydrophobicContact CD1-CB 4.03Å; L62-W201 HydrophobicContact CD1-CG 4.4Å; F101-W201 HydrophobicContact CE1-CB 3.96Å; F101-W201 AromaticContact CE1-CD1 3.72Å; F101-W201 HydrophobicContact CE1-CG 4.26Å; F101-W201 HydrophobicContact CE2-CB 3.99Å; F101-W201 HydrophobicContact CZ-CB 3.55Å; F101-W201 HydrophobicContact CZ-CG 4.29Å; D132-W201 PolarHBondContact OD2-NE1 2.91Å; Y168-W201 AromaticContact CD1-CH2 3.99Å; Y168-W201 HydrophobicContact CD1-CH2 3.99Å; Y168-W201 HydrophobicContact CE1-CH2 4.35Å; Y168-W201 HydrophobicContact CG-CH2 4.39Å; I197-W201 WeakPolarHBondContact O-CB 3.4Å; I197-W201 PolarHBondContact O-N 3.36Å; W198-W201 HydrophobicContact CD2-CE3 4.22Å; W198-W201 AromaticContact CE2-CE3 3.87Å; W198-W201 AromaticContact CE2-CZ3 3.96Å; W198-W201 HydrophobicContact CE3-CE3 4.42Å; W198-W201 AromaticContact CH2-CE3 3.94Å; W198-W201 HydrophobicContact CH2-CE3 3.94Å; W198-W201 HydrophobicContact CH2-CH2 4.22Å; W198-W201 AromaticContact CH2-CZ3 3.74Å; W198-W201 HydrophobicContact CH2-CZ3 3.74Å; W198-W201 AromaticContact CZ2-CE3 3.73Å; W198-W201 HydrophobicContact CZ2-CE3 3.73Å; W198-W201 HydrophobicContact CZ2-CH2 4.23Å; W198-W201 AromaticContact CZ2-CZ3 3.41Å; W198-W201 HydrophobicContact CZ2-CZ3 3.41Å; W198-W201 VanDerWaalsContact CZ2-CZ3 3.41Å; W198-W201 HydrophobicContact CZ3-CE3 4.3Å; W198-W201 WeakPolarHBondContact O-CB 3.34Å; W198-W201 PolarHBondContact O-N 3.01Å; W198-W201 VanDerWaalsContact O-N 3.13Å; E199-W201 VanDerWaalsContact C-N 3.27Å; E199-W201 PolarHBondContact O-N 2.96Å; W201-D203 VanDerWaalsContact C-N 3.28Å; W201-D203 PolarHBondContact O-N 2.96Å; W201-G204 CarbonylContact O-C 3.59Å; W201-G204 WeakPolarHBondContact O-CA 3.38Å; W201-G204 PolarHBondContact O-N 3.25Å; W201-G204 VanDerWaalsContact O-N 3.1Å; W201-I205 HydrophobicContact CH2-CG2 4.34Å; W201-I205 HydrophobicContact CZ2-CB 4.5Å; W201-I205 HydrophobicContact CZ2-CG2 4.23Å; W201-I205 WeakPolarHBondContact O-CG2 3.13Å; W201-I205 PolarHBondContact O-N 2.99Å
202	V	98.8	Very high	98.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-41.3	177.4	-176	0	0	0	0	110.6	R172 W198 E199 I205 A206	R172-V202 HydrophobicContact CB-CG1 4.45Å; R172-V202 HydrophobicContact CB-CG2 4.12Å; R172-V202 HydrophobicContact CG-CB 4.49Å; R172-V202 HydrophobicContact CG-CG2 4.27Å; R172-V202 VanDerWaalsContact CZ-CG1 3.43Å; W198-V202 WeakPolarHBondContact O-CG2 3.24Å; W198-V202 PolarHBondContact O-N 3.14Å; E199-V202 PolarHBondContact O-N 3.13Å; E199-V202 VanDerWaalsContact O-N 3.14Å; V202-I205 WeakPolarHBondContact O-CG2 3.4Å; V202-A206 WeakPolarHBondContact O-CB 3.46Å; V202-A206 PolarHBondContact O-N 3.37Å
203	D	98.7	Very high	98.2	Very high	87 Å²	87	51.7 Å²	51.7	47%	0.465	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-41.8	174.5	-67.4	-21.6	0	0	0	112.1	R172 E199 N200 W201 A206 Q207	R172-D203 IonicContact CZ-OD1 3.35Å; R172-D203 IonicContact NH1-OD1 3.68Å; R172-D203 PolarHBondContact NH1-OD1 3.43Å; R172-D203 IonicContact NH1-OD2 3.62Å; R172-D203 IonicContact NH2-OD1 3.7Å; R172-D203 PolarHBondContact NH2-OD1 3.26Å; E199-D203 PolarHBondContact O-N 3.33Å; N200-D203 PolarHBondContact O-N 3.29Å; W201-D203 VanDerWaalsContact C-N 3.28Å; W201-D203 PolarHBondContact O-N 2.96Å; D203-A206 PolarHBondContact O-N 3.06Å; D203-Q207 PolarHBondContact O-N 2.88Å
204	G	98.7	Very high	98.2	Very high	5 Å²	5	50.6 Å²	50.6	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-47	177.4	0	0	0	0	0	112.9	N200 W201 Q207	N200-G204 PolarHBondContact O-N 3Å; W201-G204 CarbonylContact O-C 3.59Å; W201-G204 WeakPolarHBondContact O-CA 3.38Å; W201-G204 PolarHBondContact O-N 3.25Å; W201-G204 VanDerWaalsContact O-N 3.1Å; G204-Q207 WeakPolarHBondContact O-CG 3.33Å; G204-Q207 PolarHBondContact O-NE2 3.03Å
205	I	98.6	Very high	98.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.4	-35	177.8	-165.6	68.3	0	0	0	111.3	F106 V160 Y168 W201 V202 Q207 F208 I216	F106-I205 HydrophobicContact CE2-CD1 3.71Å; F106-I205 HydrophobicContact CZ-CD1 3.88Å; V160-I205 HydrophobicContact CG2-CD1 4.34Å; V160-I205 HydrophobicContact CG2-CG1 4.19Å; Y168-I205 HydrophobicContact CD2-CG1 4.26Å; Y168-I205 HydrophobicContact CD2-CG2 3.6Å; Y168-I205 HydrophobicContact CE2-CB 4.46Å; Y168-I205 HydrophobicContact CE2-CG1 3.67Å; Y168-I205 HydrophobicContact CE2-CG2 3.9Å; Y168-I205 HydrophobicContact CG-CG2 4.18Å; W201-I205 HydrophobicContact CH2-CG2 4.34Å; W201-I205 HydrophobicContact CZ2-CB 4.5Å; W201-I205 HydrophobicContact CZ2-CG2 4.23Å; W201-I205 WeakPolarHBondContact O-CG2 3.13Å; W201-I205 PolarHBondContact O-N 2.99Å; V202-I205 WeakPolarHBondContact O-CG2 3.4Å; I205-Q207 PolarHBondContact O-N 2.89Å; I205-F208 HydrophobicContact CD1-CD2 3.99Å; I205-F208 HydrophobicContact CD1-CE2 4.2Å; I205-F208 WeakPolarHBondContact O-CD2 3.37Å; I205-F208 PolarHBondContact O-N 2.84Å; I205-I216 HydrophobicContact CD1-CD1 3.97Å
206	A	98.4	Very high	98.3	Very high	24 Å²	24	51.1 Å²	51.1	20%	0.198	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-21.4	178.9	0	0	0	0	0	113.2	L165 V202 D203 F208 A209	L165-A206 HydrophobicContact CD2-CB 3.69Å; V202-A206 WeakPolarHBondContact O-CB 3.46Å; V202-A206 PolarHBondContact O-N 3.37Å; D203-A206 PolarHBondContact O-N 3.06Å; A206-F208 PolarHBondContact O-N 3.34Å; A206-A209 WeakPolarHBondContact O-CB 3.4Å; A206-A209 PolarHBondContact O-N 3.29Å
207	Q	98.3	Very high	98.3	Very high	48 Å²	48	44.8 Å²	44.8	22%	0.224	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-60.7	-31.9	176.5	91.3	-173.2	-74.9	0	0	112.6	F101 S103 D203 G204 I205 A209 K210	F101-Q207 PolarHBondContact O-NE2 2.91Å; S103-Q207 VanDerWaalsContact CA-OE1 3.29Å; D203-Q207 PolarHBondContact O-N 2.88Å; G204-Q207 WeakPolarHBondContact O-CG 3.33Å; G204-Q207 PolarHBondContact O-NE2 3.03Å; I205-Q207 PolarHBondContact O-N 2.89Å; Q207-A209 VanDerWaalsContact C-N 3.29Å; Q207-A209 PolarHBondContact O-N 3.24Å; Q207-K210 WeakPolarHBondContact O-CB 3.23Å; Q207-K210 PolarHBondContact O-N 3.02Å
208	F	98.5	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-68.7	-28.3	-177.9	-65.5	-80.6	0	0	0	112.4	F105 F106 V160 I205 A206 K210 R211 G214 N215 I216	F105-F208 HydrophobicContact CD1-CE2 4.36Å; F105-F208 HydrophobicContact CD1-CZ 4.4Å; F105-F208 AromaticContact CE1-CE2 3.51Å; F105-F208 HydrophobicContact CE1-CE2 3.51Å; F105-F208 AromaticContact CE1-CZ 3.95Å; F105-F208 HydrophobicContact CE1-CZ 3.95Å; F105-F208 AromaticContact CZ-CE2 3.98Å; F105-F208 HydrophobicContact CZ-CE2 3.98Å; F106-F208 AromaticContact CD2-CE2 3.89Å; F106-F208 HydrophobicContact CD2-CE2 3.89Å; F106-F208 AromaticContact CD2-CZ 3.73Å; F106-F208 HydrophobicContact CD2-CZ 3.73Å; F106-F208 AromaticContact CE2-CE2 3.73Å; F106-F208 HydrophobicContact CE2-CE2 3.73Å; F106-F208 HydrophobicContact CE2-CZ 4.07Å; V160-F208 HydrophobicContact CB-CB 4.46Å; V160-F208 HydrophobicContact CG2-CB 3.9Å; I205-F208 HydrophobicContact CD1-CD2 3.99Å; I205-F208 HydrophobicContact CD1-CE2 4.2Å; I205-F208 WeakPolarHBondContact O-CD2 3.37Å; I205-F208 PolarHBondContact O-N 2.84Å; A206-F208 PolarHBondContact O-N 3.34Å; F208-K210 PolarHBondContact O-N 2.66Å; F208-R211 VanDerWaalsContact CE1-NH1 3.3Å; F208-R211 VanDerWaalsContact O-CB 3.28Å; F208-R211 WeakPolarHBondContact O-CB 3.19Å; F208-R211 PolarHBondContact O-N 3.13Å; F208-G214 CarbonylContact O-C 3.48Å; F208-G214 VanDerWaalsContact O-CA 3.24Å; F208-G214 WeakPolarHBondContact O-CA 3.35Å; F208-N215 WeakPolarHBondContact CD1-O 3.4Å; F208-I216 HydrophobicContact CB-CG1 3.89Å; F208-I216 HydrophobicContact CD1-CB 4.19Å; F208-I216 HydrophobicContact CD1-CG1 3.89Å; F208-I216 HydrophobicContact CD1-CG2 4.29Å; F208-I216 HydrophobicContact CD2-CG1 4.01Å; F208-I216 HydrophobicContact CE1-CB 4.38Å; F208-I216 HydrophobicContact CE1-CG1 4.41Å; F208-I216 HydrophobicContact CE1-CG2 3.99Å; F208-I216 HydrophobicContact CG-CB 4.48Å; F208-I216 HydrophobicContact CG-CG1 3.69Å; F208-I216 HydrophobicContact CZ-CG2 4.14Å
209	A	97.6	Very high	98.3	Very high	24 Å²	24	49.2 Å²	49.2	20%	0.198	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-62.1	-15.1	175.5	0	0	0	0	0	113.7	V160 L165 A206 Q207	V160-A209 HydrophobicContact CB-CB 4.26Å; V160-A209 HydrophobicContact CG1-CB 3.94Å; L165-A209 HydrophobicContact CD1-CB 3.65Å; L165-A209 HydrophobicContact CD2-CB 4.03Å; L165-A209 HydrophobicContact CG-CB 4.05Å; A206-A209 WeakPolarHBondContact O-CB 3.4Å; A206-A209 PolarHBondContact O-N 3.29Å; Q207-A209 VanDerWaalsContact C-N 3.29Å; Q207-A209 PolarHBondContact O-N 3.24Å
210	K	96.9	Very high	98.3	Very high	186 Å²	186	45.8 Å²	45.8	81%	0.809	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-85.4	-11.1	174.6	-57.6	176.4	-177.3	173.2	0	113	Q207 F208	Q207-K210 WeakPolarHBondContact O-CB 3.23Å; Q207-K210 PolarHBondContact O-N 3.02Å; F208-K210 PolarHBondContact O-N 2.66Å
211	R	97.7	Very high	98.3	Very high	73 Å²	73	42.9 Å²	42.9	28%	0.275	22%	0.219	S	C	.	.	S	Bend	trans	-82	159.9	176.8	-63.1	176.8	-178.7	-167.4	6.2	110.2	S103 F208 E213 G214 N215	S103-R211 PolarHBondContact O-NH2 3.38Å; F208-R211 VanDerWaalsContact CE1-NH1 3.3Å; F208-R211 VanDerWaalsContact O-CB 3.28Å; F208-R211 WeakPolarHBondContact O-CB 3.19Å; F208-R211 PolarHBondContact O-N 3.13Å; R211-E213 PolarHBondContact O-N 2.88Å; R211-G214 PolarHBondContact O-N 3.1Å; R211-N215 WeakPolarHBondContact CD-O 3.33Å
212	P	97.8	Very high	98.3	Very high	110 Å²	110	45.5 Å²	45.5	71%	0.714	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-49.2	128.9	169.6	-26.8	35.8	0	0	0	110.8	G214 N215	P212-G214 PolarHBondContact O-N 3.19Å; P212-N215 VanDerWaalsContact O-CB 3.25Å; P212-N215 WeakPolarHBondContact O-CB 3.46Å; P212-N215 PolarHBondContact O-N 3.45Å
213	E	96.8	Very high	98.3	Very high	160 Å²	160	50.3 Å²	50.3	75%	0.748	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	57.2	15	-178.8	-55	-176.9	117.4	0	0	115.3	R211 N215 M218	R211-E213 PolarHBondContact O-N 2.88Å; E213-N215 PolarHBondContact O-N 3.14Å; E213-M218 HydrophobicContact CB-CE 4.26Å; E213-M218 HydrophobicContact CB-SD 4.18Å
214	G	98.1	Very high	98.3	Very high	4 Å²	4	46.3 Å²	46.3	4%	0.041	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	70.6	19.6	-174.6	0	0	0	0	0	113.6	F159 V160 F208 R211 P212 I216	F159-G214 CarbonylContact C-O 3.32Å; F159-G214 WeakPolarHBondContact CA-O 3.49Å; V160-G214 PolarHBondContact N-O 3.33Å; V160-G214 WeakPolarHBondContact O-CA 3.37Å; F208-G214 CarbonylContact O-C 3.48Å; F208-G214 VanDerWaalsContact O-CA 3.24Å; F208-G214 WeakPolarHBondContact O-CA 3.35Å; R211-G214 PolarHBondContact O-N 3.1Å; P212-G214 PolarHBondContact O-N 3.19Å; G214-I216 PolarHBondContact O-N 3.45Å
215	N	98.6	Very high	98.2	Very high	35 Å²	35	49.7 Å²	49.7	19%	0.187	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-58.3	126.5	-164.8	-177.8	31.1	0	0	0	114.2	F208 R211 P212 E213 C217 M218 E219	F208-N215 WeakPolarHBondContact CD1-O 3.4Å; R211-N215 WeakPolarHBondContact CD-O 3.33Å; P212-N215 VanDerWaalsContact O-CB 3.25Å; P212-N215 WeakPolarHBondContact O-CB 3.46Å; P212-N215 PolarHBondContact O-N 3.45Å; E213-N215 PolarHBondContact O-N 3.14Å; N215-C217 PolarHBondContact OD1-N 2.93Å; N215-C217 VanDerWaalsContact OD1-N 3.11Å; N215-M218 HydrophobicContact CB-SD 4.03Å; N215-M218 VanDerWaalsContact OD1-CB 3.25Å; N215-M218 WeakPolarHBondContact OD1-CB 3.45Å; N215-M218 VanDerWaalsContact OD1-CG 3.25Å; N215-M218 WeakPolarHBondContact OD1-CG 3.42Å; N215-M218 PolarHBondContact OD1-N 3.27Å; N215-E219 PolarHBondContact ND2-OE2 3.28Å; N215-E219 PolarHBondContact OD1-OE2 2.86Å
216	I	98.8	Very high	98.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-95.9	-56.9	164.8	-54.9	170.4	0	0	0	109.6	F106 I135 V158 V160 I205 F208 G214	F106-I216 HydrophobicContact CD2-CG2 3.59Å; F106-I216 HydrophobicContact CE2-CD1 4.47Å; F106-I216 HydrophobicContact CE2-CG2 3.9Å; I135-I216 HydrophobicContact CD1-CD1 4.04Å; I135-I216 HydrophobicContact CG2-CG2 3.68Å; V158-I216 WeakPolarHBondContact O-CA 3.28Å; V158-I216 VanDerWaalsContact O-CB 3.3Å; V158-I216 WeakPolarHBondContact O-CB 3.15Å; V158-I216 PolarHBondContact O-N 2.85Å; V160-I216 HydrophobicContact CG2-CD1 3.86Å; V160-I216 HydrophobicContact CG2-CG1 4.16Å; I205-I216 HydrophobicContact CD1-CD1 3.97Å; F208-I216 HydrophobicContact CB-CG1 3.89Å; F208-I216 HydrophobicContact CD1-CB 4.19Å; F208-I216 HydrophobicContact CD1-CG1 3.89Å; F208-I216 HydrophobicContact CD1-CG2 4.29Å; F208-I216 HydrophobicContact CD2-CG1 4.01Å; F208-I216 HydrophobicContact CE1-CB 4.38Å; F208-I216 HydrophobicContact CE1-CG1 4.41Å; F208-I216 HydrophobicContact CE1-CG2 3.99Å; F208-I216 HydrophobicContact CG-CB 4.48Å; F208-I216 HydrophobicContact CG-CG1 3.69Å; F208-I216 HydrophobicContact CZ-CG2 4.14Å; G214-I216 PolarHBondContact O-N 3.45Å
217	C	98.5	Very high	98.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-157.3	30.8	-177.6	62.1	0	0	0	0	114	I139 V158 N215 E219 L220	I139-C217 HydrophobicContact CD1-CB 4.19Å; I139-C217 HydrophobicContact CG1-CB 3.78Å; V158-C217 PolarHBondContact O-N 3.13Å; V158-C217 VanDerWaalsContact O-N 3.14Å; N215-C217 PolarHBondContact OD1-N 2.93Å; N215-C217 VanDerWaalsContact OD1-N 3.11Å; C217-E219 WeakPolarHBondContact CA-OE2 3.49Å; C217-E219 PolarHBondContact O-N 3.41Å; C217-L220 HydrophobicContact CB-CB 4.41Å; C217-L220 HydrophobicContact CB-CD1 3.98Å; C217-L220 HydrophobicContact CB-CG 4.24Å; C217-L220 WeakPolarHBondContact O-CB 3.32Å; C217-L220 PolarHBondContact O-N 2.94Å
218	M	98.6	Very high	98.3	Very high	24 Å²	24	49.2 Å²	49.2	12%	0.118	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-52.6	-38.3	179	-65.3	165.5	72.8	0	0	112.1	V158 F159 E213 N215 L220 L221 Y246	V158-M218 HydrophobicContact CG2-CG 4.15Å; V158-M218 WeakPolarHBondContact O-CG 3.34Å; F159-M218 HydrophobicContact CB-CG 4.08Å; F159-M218 HydrophobicContact CB-SD 3.64Å; F159-M218 HydrophobicContact CD1-CE 4.46Å; F159-M218 HydrophobicContact CD1-CG 4.05Å; F159-M218 HydrophobicContact CD1-SD 4.1Å; F159-M218 HydrophobicContact CG-CG 4.49Å; F159-M218 HydrophobicContact CG-SD 4.09Å; E213-M218 HydrophobicContact CB-CE 4.26Å; E213-M218 HydrophobicContact CB-SD 4.18Å; N215-M218 HydrophobicContact CB-SD 4.03Å; N215-M218 VanDerWaalsContact OD1-CB 3.25Å; N215-M218 WeakPolarHBondContact OD1-CB 3.45Å; N215-M218 VanDerWaalsContact OD1-CG 3.25Å; N215-M218 WeakPolarHBondContact OD1-CG 3.42Å; N215-M218 PolarHBondContact OD1-N 3.27Å; M218-L220 PolarHBondContact O-N 3.44Å; M218-L221 PolarHBondContact O-N 3.34Å; M218-Y246 HydrophobicContact CE-CE1 4.4Å; M218-Y246 HydrophobicContact CE-CE2 4.17Å; M218-Y246 WeakPolarHBondContact CE-OH 3.44Å; M218-Y246 HydrophobicContact CG-CE1 4.24Å
219	E	98.4	Very high	98.3	Very high	97 Å²	97	49.5 Å²	49.5	45%	0.453	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-67	-19.3	-179.3	77.2	-70.8	172.4	0	0	113.5	N215 C217	N215-E219 PolarHBondContact ND2-OE2 3.28Å; N215-E219 PolarHBondContact OD1-OE2 2.86Å; C217-E219 WeakPolarHBondContact CA-OE2 3.49Å; C217-E219 PolarHBondContact O-N 3.41Å
220	L	98.7	Very high	98.3	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.084	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-86.5	-21	-179	-61.7	-172.6	0	0	0	113	I139 A142 C217 M218 L223	I139-L220 HydrophobicContact CB-CD1 4.16Å; I139-L220 HydrophobicContact CG1-CD1 3.83Å; I139-L220 HydrophobicContact CG2-CD1 4.01Å; A142-L220 HydrophobicContact CB-CB 3.69Å; A142-L220 HydrophobicContact CB-CD1 4.38Å; A142-L220 HydrophobicContact CB-CD2 4.47Å; A142-L220 HydrophobicContact CB-CG 4.41Å; A142-L220 WeakPolarHBondContact CB-O 3.33Å; C217-L220 HydrophobicContact CB-CB 4.41Å; C217-L220 HydrophobicContact CB-CD1 3.98Å; C217-L220 HydrophobicContact CB-CG 4.24Å; C217-L220 WeakPolarHBondContact O-CB 3.32Å; C217-L220 PolarHBondContact O-N 2.94Å; M218-L220 PolarHBondContact O-N 3.44Å; L220-L223 HydrophobicContact CD2-CD1 4.05Å; L220-L223 WeakPolarHBondContact O-CB 3.48Å; L220-L223 PolarHBondContact O-N 2.92Å
221	L	98.8	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-58.4	-43	-175.5	-50.7	178.9	0	0	0	113.8	M138 V158 M218 L223 I224 Y246 L247 N250 I251	M138-L221 HydrophobicContact SD-CD2 3.83Å; V158-L221 HydrophobicContact CG1-CD2 4.03Å; V158-L221 HydrophobicContact CG2-CD1 3.86Å; M218-L221 PolarHBondContact O-N 3.34Å; L221-L223 PolarHBondContact O-N 3.37Å; L221-L223 VanDerWaalsContact O-N 3.16Å; L221-I224 HydrophobicContact CD2-CD1 4.08Å; L221-I224 PolarHBondContact O-N 2.78Å; L221-Y246 HydrophobicContact CD1-CD1 3.99Å; L221-Y246 HydrophobicContact CD1-CE1 3.61Å; L221-L247 HydrophobicContact CD1-CD2 4.13Å; L221-L247 HydrophobicContact CD2-CD2 4.27Å; L221-N250 CarbonylContact C-O 3.49Å; L221-N250 HydrophobicContact CB-CB 3.96Å; L221-N250 HydrophobicContact CD1-CB 3.72Å; L221-I251 HydrophobicContact CB-CG1 4.05Å; L221-I251 HydrophobicContact CD2-CD1 4.33Å; L221-I251 HydrophobicContact CD2-CG1 4.29Å
222	P	98.4	Very high	98.5	Very high	61 Å²	61	36.5 Å²	36.5	40%	0.396	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-66.6	-15	177.9	-21.6	35.7	0	0	0	114.1
223	L	98.6	Very high	98.5	Very high	101 Å²	101	31.2 Å²	31.2	53%	0.529	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-88.6	-12.8	179.5	-51.6	-178.7	0	0	0	112.6	A142 L220 L221 S225	A142-L223 HydrophobicContact CB-CB 4.17Å; L220-L223 HydrophobicContact CD2-CD1 4.05Å; L220-L223 WeakPolarHBondContact O-CB 3.48Å; L220-L223 PolarHBondContact O-N 2.92Å; L221-L223 PolarHBondContact O-N 3.37Å; L221-L223 VanDerWaalsContact O-N 3.16Å; L223-S225 PolarHBondContact O-N 3.22Å; L223-S225 VanDerWaalsContact O-N 3.17Å
224	I	98.8	Very high	98.6	Very high	3 Å²	3	29 Å²	29	2%	0.015	16%	0.16	C	C	.	.			trans	-71.3	110	176.8	-61.6	166.7	0	0	0	108.9	M138 A141 A142 M151 L221 I251	M138-I224 HydrophobicContact CB-CD1 3.96Å; M138-I224 HydrophobicContact CG-CD1 4.03Å; A141-I224 HydrophobicContact CB-CG1 4.46Å; A141-I224 HydrophobicContact CB-CG2 4.32Å; A142-I224 HydrophobicContact CB-CG1 3.93Å; M151-I224 HydrophobicContact CE-CD1 4.09Å; M151-I224 HydrophobicContact CE-CG2 3.99Å; L221-I224 HydrophobicContact CD2-CD1 4.08Å; L221-I224 PolarHBondContact O-N 2.78Å; I224-I251 HydrophobicContact CB-CG2 4.29Å; I224-I251 HydrophobicContact CD1-CD1 3.99Å; I224-I251 HydrophobicContact CD1-CG1 4.12Å; I224-I251 HydrophobicContact CG2-CG2 4.06Å
225	S	97.8	Very high	98.6	Very high	77 Å²	77	33.4 Å²	33.4	54%	0.538	18%	0.179	S	C	.	.			trans	-96	-22.2	-177.9	59.6	0	0	0	0	113.9	P145 L223	P145-S225 WeakPolarHBondContact CB-OG 3.34Å; L223-S225 PolarHBondContact O-N 3.22Å; L223-S225 VanDerWaalsContact O-N 3.17Å
226	C	98.6	Very high	98.6	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.047	17%	0.174	C	C	.	.	S	Bend	trans	-73.3	147.6	-179.1	65.5	0	0	0	0	112	I148 T228	I148-C226 HydrophobicContact CG2-CB 4.13Å; C226-T228 PolarHBondContact O-N 3.12Å; C226-T228 PolarHBondContact O-OG1 3.16Å; C226-T228 VanDerWaalsContact O-OG1 3.1Å
227	P	98.8	Very high	98.5	Very high	55 Å²	55	36.6 Å²	36.6	36%	0.357	20%	0.2	S	C	.	.			trans	-53.3	131.7	168.8	-24.5	33.7	0	0	0	111.1	N149 K150 M151 A253 F281	N149-P227 WeakPolarHBondContact O-CD 3.36Å; K150-P227 WeakPolarHBondContact CA-O 3.24Å; K150-P227 HydrophobicContact CG-CB 4.21Å; K150-P227 HydrophobicContact CG-CG 4.34Å; M151-P227 PolarHBondContact N-O 2.83Å; P227-A253 WeakPolarHBondContact CA-O 3.27Å; P227-F281 HydrophobicContact CB-CZ 4.07Å
228	T	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.9	-175	-58.2	0	0	0	0	111.5	M151 V153 C226 I230 I251 A253 S254 R255	M151-T228 HydrophobicContact CB-CG2 4.38Å; M151-T228 HydrophobicContact CE-CG2 3.61Å; M151-T228 HydrophobicContact CG-CG2 4.42Å; M151-T228 CarbonylContact O-C 3.6Å; M151-T228 VanDerWaalsContact O-CA 3.26Å; M151-T228 WeakPolarHBondContact O-CA 3.38Å; V153-T228 HydrophobicContact CG2-CG2 4.37Å; C226-T228 PolarHBondContact O-N 3.12Å; C226-T228 PolarHBondContact O-OG1 3.16Å; C226-T228 VanDerWaalsContact O-OG1 3.1Å; T228-I230 HydrophobicContact CG2-CG1 4.21Å; T228-I251 HydrophobicContact CG2-CD1 4.3Å; T228-I251 HydrophobicContact CG2-CG2 4.46Å; T228-A253 PolarHBondContact N-O 2.83Å; T228-S254 CarbonylContact O-C 3.55Å; T228-S254 WeakPolarHBondContact O-CA 3.27Å; T228-R255 PolarHBondContact O-N 2.97Å
229	L	98.9	Very high	98.3	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.6	167.8	178.4	65	0	0	0	109	M151 V152 V153 I231 R255 H257 L277 F281	M151-L229 PolarHBondContact O-N 2.89Å; V152-L229 CarbonylContact C-O 3.54Å; V152-L229 VanDerWaalsContact CA-O 3.27Å; V152-L229 WeakPolarHBondContact CA-O 3.36Å; V152-L229 HydrophobicContact CG1-CB 4.28Å; V152-L229 HydrophobicContact CG1-CD2 4.18Å; V152-L229 HydrophobicContact CG1-CG 4.33Å; V152-L229 HydrophobicContact CG2-CB 4.21Å; V152-L229 HydrophobicContact CG2-CD2 4.48Å; V153-L229 PolarHBondContact N-O 2.95Å; L229-I231 HydrophobicContact CD2-CD1 3.89Å; L229-I231 HydrophobicContact CD2-CG1 3.96Å; L229-I231 HydrophobicContact CG-CD1 4.32Å; L229-I231 HydrophobicContact CG-CG1 3.87Å; L229-R255 HydrophobicContact CD1-CB 4.13Å; L229-H257 HydrophobicContact CD1-CB 4.14Å; L229-L277 HydrophobicContact CD2-CD1 4.33Å; L229-L277 HydrophobicContact CD2-CD2 4.33Å; L229-L277 HydrophobicContact CD2-CG 3.96Å; L229-F281 HydrophobicContact CB-CD1 3.7Å; L229-F281 HydrophobicContact CB-CD2 3.87Å; L229-F281 HydrophobicContact CB-CE1 3.67Å; L229-F281 HydrophobicContact CB-CE2 3.85Å; L229-F281 HydrophobicContact CB-CG 3.79Å; L229-F281 HydrophobicContact CB-CZ 3.76Å; L229-F281 HydrophobicContact CD2-CB 3.85Å; L229-F281 HydrophobicContact CD2-CD1 4.3Å; L229-F281 HydrophobicContact CD2-CD2 4.38Å; L229-F281 HydrophobicContact CD2-CG 3.92Å; L229-F281 HydrophobicContact CG-CG 4.42Å
230	I	98.9	Very high	98.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.5	172.5	-57.5	157.3	0	0	0	106.6	V153 T228 P244 L247 H248 R255 L256 H257	V153-I230 HydrophobicContact CG2-CG1 4.01Å; V153-I230 WeakPolarHBondContact O-CA 3.47Å; T228-I230 HydrophobicContact CG2-CG1 4.21Å; I230-P244 HydrophobicContact CG2-CB 3.79Å; I230-L247 HydrophobicContact CD1-CB 3.62Å; I230-L247 HydrophobicContact CG1-CB 4.36Å; I230-L247 HydrophobicContact CG2-CD1 4.45Å; I230-H248 HydrophobicContact CD1-CB 3.87Å; I230-R255 PolarHBondContact N-O 3.41Å; I230-L256 HydrophobicContact CB-CD1 3.96Å; I230-L256 HydrophobicContact CG2-CD1 3.63Å; I230-L256 CarbonylContact O-C 3.51Å; I230-L256 WeakPolarHBondContact O-CA 3.47Å; I230-H257 PolarHBondContact O-N 2.99Å
231	I	98.9	Very high	98.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135	175.3	-52.3	167.9	0	0	0	108	V152 V153 W154 L229 H257 M259 L266 F274 L277	V152-I231 HydrophobicContact CG1-CD1 3.66Å; V152-I231 HydrophobicContact CG1-CG1 4.24Å; V153-I231 PolarHBondContact O-N 2.95Å; W154-I231 WeakPolarHBondContact CA-O 3.39Å; W154-I231 HydrophobicContact CB-CB 3.98Å; W154-I231 WeakPolarHBondContact CB-O 3.23Å; L229-I231 HydrophobicContact CD2-CD1 3.89Å; L229-I231 HydrophobicContact CD2-CG1 3.96Å; L229-I231 HydrophobicContact CG-CD1 4.32Å; L229-I231 HydrophobicContact CG-CG1 3.87Å; I231-H257 CarbonylContact C-O 3.55Å; I231-H257 WeakPolarHBondContact CA-O 3.44Å; I231-M259 HydrophobicContact CG2-CG 4.03Å; I231-M259 HydrophobicContact CG2-SD 3.8Å; I231-L266 HydrophobicContact CG2-CD1 4.04Å; I231-L266 HydrophobicContact CG2-CD2 4.12Å; I231-F274 HydrophobicContact CD1-CD2 3.89Å; I231-F274 HydrophobicContact CD1-CE2 3.54Å; I231-F274 HydrophobicContact CD1-CZ 4.42Å; I231-L277 HydrophobicContact CD1-CD2 3.69Å; I231-L277 HydrophobicContact CD1-CG 4.34Å; I231-L277 HydrophobicContact CG1-CD2 3.97Å
232	H	98.8	Very high	98.1	Very high	6 Å²	6	40 Å²	40	3%	0.028	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	133	176.8	-175.9	64.2	0	0	0	111.4	V239 P244 L256 H257 L258 M259	H232-V239 PolarHBondContact CE1-O 3.43Å; H232-P244 HydrophobicContact CB-CB 3.99Å; H232-P244 HydrophobicContact CB-CG 3.88Å; H232-L256 HydrophobicContact CB-CD1 4.43Å; H232-H257 PolarHBondContact N-O 2.8Å; H232-L258 HydrophobicContact CB-CD2 3.93Å; H232-L258 CarbonylContact O-C 3.55Å; H232-L258 WeakPolarHBondContact O-CA 3.39Å; H232-M259 PolarHBondContact O-N 3.18Å
233	G	98.6	Very high	98.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.9	170.6	0	0	0	0	0	110	K235 D236 M259 G262	G233-K235 PolarHBondContact O-N 3.46Å; G233-K235 VanDerWaalsContact O-N 3.07Å; G233-D236 VanDerWaalsContact O-CB 3.23Å; G233-D236 WeakPolarHBondContact O-CB 3.43Å; G233-D236 PolarHBondContact O-N 2.98Å; G233-M259 WeakPolarHBondContact CA-O 3.45Å; G233-G262 CarbonylContact C-O 3.56Å; G233-G262 VanDerWaalsContact CA-C 3.45Å; G233-G262 WeakPolarHBondContact CA-O 3.36Å
234	E	98.3	Very high	98.1	Very high	112 Å²	112	32.5 Å²	32.5	52%	0.523	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.5	-176.4	-62.5	-168.4	86.3	0	0	113.4	L258 M259 P260 G262	E234-L258 HydrophobicContact CG-CB 3.99Å; E234-L258 HydrophobicContact CG-CD1 4.44Å; E234-M259 PolarHBondContact N-O 3.19Å; E234-P260 VanDerWaalsContact OE2-CA 3.29Å; E234-P260 WeakPolarHBondContact OE2-CA 3.12Å; E234-G262 PolarHBondContact N-O 3.07Å
235	K	98.4	Very high	98.1	Very high	98 Å²	98	37.3 Å²	37.3	43%	0.426	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	20.2	174.4	-59.6	-178.5	-173.1	179	0	112.4	G233 P237 P260 E261 G262 K263	G233-K235 PolarHBondContact O-N 3.46Å; G233-K235 VanDerWaalsContact O-N 3.07Å; K235-P237 VanDerWaalsContact O-CD 3.27Å; K235-P237 WeakPolarHBondContact O-CD 3.29Å; K235-P260 WeakPolarHBondContact CE-O 3.43Å; K235-E261 WeakPolarHBondContact CE-OE1 3.37Å; K235-E261 IonicContact NZ-OE1 3.45Å; K235-E261 PolarHBondContact NZ-OE1 2.84Å; K235-E261 IonicContact NZ-OE2 2.61Å; K235-E261 PolarHBondContact NZ-OE2 3.22Å; K235-G262 CarbonylContact C-O 3.52Å; K235-G262 WeakPolarHBondContact CA-O 3.32Å; K235-G262 WeakPolarHBondContact CB-O 3.15Å; K235-G262 PolarHBondContact N-O 2.82Å; K235-K263 HydrophobicContact CB-CG 4.06Å
236	D	98.3	Very high	98.2	Very high	18 Å²	18	36.7 Å²	36.7	10%	0.096	19%	0.191	C	C	.	.			trans	-63.4	115.5	174.9	-168.7	-28.1	0	0	0	110.4	G233 M238 V239 H264	G233-D236 VanDerWaalsContact O-CB 3.23Å; G233-D236 WeakPolarHBondContact O-CB 3.43Å; G233-D236 PolarHBondContact O-N 2.98Å; D236-M238 VanDerWaalsContact C-N 3.33Å; D236-M238 WeakPolarHBondContact OD1-CA 3.49Å; D236-M238 WeakPolarHBondContact OD1-CB 3.49Å; D236-M238 PolarHBondContact OD1-N 2.96Å; D236-V239 PolarHBondContact OD1-N 3.35Å; D236-V239 VanDerWaalsContact OD1-N 3.12Å; D236-H264 WeakPolarHBondContact OD1-CB 3.16Å; D236-H264 IonicContact OD1-CG 3.02Å; D236-H264 IonicContact OD1-ND1 2.64Å; D236-H264 PolarHBondContact OD1-ND1 3.4Å; D236-H264 WeakPolarHBondContact OD2-CA 3.37Å; D236-H264 IonicContact OD2-CE1 3.32Å; D236-H264 IonicContact OD2-CG 3.43Å; D236-H264 IonicContact OD2-ND1 3.19Å; D236-H264 PolarHBondContact OD2-ND1 3.05Å
237	P	96.3	Very high	98.2	Very high	84 Å²	84	36.5 Å²	36.5	55%	0.545	19%	0.19	S	C	.	.	S	Bend	trans	-84.6	-7.7	-179.4	36.1	-35.2	0	0	0	113.2	L167 K235	L167-P237 WeakPolarHBondContact CD2-O 3.31Å; K235-P237 VanDerWaalsContact O-CD 3.27Å; K235-P237 WeakPolarHBondContact O-CD 3.29Å
238	M	95.7	Very high	98.2	Very high	38 Å²	38	37.8 Å²	37.8	19%	0.187	19%	0.19	C	C	.	.	S	Bend	trans	-103.5	-33.6	-172.9	-70.7	-63	-57.3	0	0	112.6	Y168 V171 D236 H264	Y168-M238 HydrophobicContact CD1-CE 4.32Å; V171-M238 HydrophobicContact CG1-SD 4.08Å; V171-M238 HydrophobicContact CG2-CE 4.05Å; V171-M238 HydrophobicContact CG2-SD 4.49Å; D236-M238 VanDerWaalsContact C-N 3.33Å; D236-M238 WeakPolarHBondContact OD1-CA 3.49Å; D236-M238 WeakPolarHBondContact OD1-CB 3.49Å; D236-M238 PolarHBondContact OD1-N 2.96Å; M238-H264 HydrophobicContact CB-CB 4.48Å; M238-H264 HydrophobicContact CG-CB 4.38Å
239	V	97.8	Very high	98.2	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.024	23%	0.227	C	C	.	.	S	Bend	trans	-124.2	107.5	-175.7	178.5	0	0	0	0	109.4	G155 H232 D236 H243	G155-V239 WeakPolarHBondContact O-CG2 3.36Å; H232-V239 PolarHBondContact CE1-O 3.43Å; D236-V239 PolarHBondContact OD1-N 3.35Å; D236-V239 VanDerWaalsContact OD1-N 3.12Å; V239-H243 HydrophobicContact CG1-CB 3.8Å
240	P	97.6	Very high	98.2	Very high	32 Å²	32	48.1 Å²	48.1	21%	0.208	24%	0.237	C	C	.	.			trans	-57.4	149	174.7	-28.9	36.1	0	0	0	113.5	L167 F242 H243 P244	L167-P240 HydrophobicContact CD1-CG 3.97Å; P240-F242 HydrophobicContact CB-CD1 3.53Å; P240-F242 HydrophobicContact CB-CE1 3.22Å; P240-F242 HydrophobicContact CB-CG 4.33Å; P240-F242 HydrophobicContact CB-CZ 3.8Å; P240-F242 HydrophobicContact CG-CE1 3.76Å; P240-F242 HydrophobicContact CG-CZ 4.01Å; P240-F242 PolarHBondContact O-N 3.48Å; P240-F242 VanDerWaalsContact O-N 3.09Å; P240-H243 PolarHBondContact O-N 3.32Å; P240-H243 VanDerWaalsContact O-N 3.1Å; P240-P244 WeakPolarHBondContact O-CD 3.45Å
241	S	96.4	Very high	98.1	Very high	63 Å²	63	48 Å²	48	44%	0.441	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.2	-174.4	61.6	0	0	0	0	114.9	H243 P244 Q245	S241-H243 VanDerWaalsContact C-N 3.25Å; S241-H243 PolarHBondContact O-N 2.94Å; S241-P244 VanDerWaalsContact O-CD 3.24Å; S241-P244 WeakPolarHBondContact O-CD 3.44Å; S241-P244 VanDerWaalsContact O-CG 3.25Å; S241-P244 WeakPolarHBondContact O-CG 3.26Å; S241-Q245 WeakPolarHBondContact O-CG 3.17Å; S241-Q245 PolarHBondContact O-N 3.4Å; S241-Q245 PolarHBondContact O-NE2 2.99Å; S241-Q245 PolarHBondContact O-OE1 3.45Å
242	F	98	Very high	98	Very high	73 Å²	73	56.7 Å²	56.7	32%	0.32	27%	0.274	S	S	.	.	H	α-helix	trans	-67	-25.8	174.8	64.2	-107.9	0	0	0	112.9	F159 T161 P240 Y246	F159-F242 HydrophobicContact CE2-CD2 4.38Å; F159-F242 AromaticContact CE2-CE2 3.91Å; F159-F242 HydrophobicContact CE2-CE2 3.91Å; F159-F242 HydrophobicContact CZ-CD2 4.06Å; F159-F242 HydrophobicContact CZ-CE2 4.02Å; T161-F242 HydrophobicContact CG2-CE2 3.97Å; T161-F242 HydrophobicContact CG2-CZ 4Å; P240-F242 HydrophobicContact CB-CD1 3.53Å; P240-F242 HydrophobicContact CB-CE1 3.22Å; P240-F242 HydrophobicContact CB-CG 4.33Å; P240-F242 HydrophobicContact CB-CZ 3.8Å; P240-F242 HydrophobicContact CG-CE1 3.76Å; P240-F242 HydrophobicContact CG-CZ 4.01Å; P240-F242 PolarHBondContact O-N 3.48Å; P240-F242 VanDerWaalsContact O-N 3.09Å; F242-Y246 VanDerWaalsContact O-CB 3.31Å; F242-Y246 WeakPolarHBondContact O-CB 3.4Å; F242-Y246 PolarHBondContact O-N 2.63Å
243	H	98.8	Very high	97.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-58.1	176.6	-75.3	-61.7	0	0	0	112.6	N157 F159 D164 V239 P240 S241 Q245 Y246 L247	N157-H243 HydrophobicContact CB-CB 4.12Å; N157-H243 VanDerWaalsContact CB-CE1 3.41Å; N157-H243 WeakPolarHBondContact CB-CE1 3.5Å; N157-H243 VanDerWaalsContact CB-CG 3.47Å; N157-H243 VanDerWaalsContact CB-ND1 3.31Å; N157-H243 WeakPolarHBondContact CB-ND1 3.32Å; F159-H243 AromaticContact CD2-CE1 3.9Å; F159-H243 AromaticContact CE1-ND1 3.64Å; F159-H243 AromaticContact CE2-CE1 3.56Å; F159-H243 AromaticContact CE2-ND1 3.89Å; F159-H243 AromaticContact CZ-CE1 3.66Å; F159-H243 AromaticContact CZ-ND1 3.47Å; F159-H243 WeakPolarHBondContact CZ-ND1 3.04Å; F159-H243 PolarHBondContact O-CE1 2.8Å; D164-H243 VanDerWaalsContact CG-NE2 3.29Å; D164-H243 IonicContact OD1-CD2 2.8Å; D164-H243 IonicContact OD1-NE2 3.43Å; D164-H243 PolarHBondContact OD1-NE2 3.46Å; D164-H243 IonicContact OD2-CE1 2.86Å; D164-H243 PolarHBondContact OD2-CE1 3.28Å; D164-H243 IonicContact OD2-NE2 3.27Å; D164-H243 PolarHBondContact OD2-NE2 3.44Å; V239-H243 HydrophobicContact CG1-CB 3.8Å; P240-H243 PolarHBondContact O-N 3.32Å; P240-H243 VanDerWaalsContact O-N 3.1Å; S241-H243 VanDerWaalsContact C-N 3.25Å; S241-H243 PolarHBondContact O-N 2.94Å; H243-Q245 PolarHBondContact O-N 2.87Å; H243-Y246 WeakPolarHBondContact O-CA 3.4Å; H243-Y246 WeakPolarHBondContact O-CB 3.32Å; H243-Y246 PolarHBondContact O-N 3.4Å; H243-L247 WeakPolarHBondContact O-CG 3.36Å; H243-L247 PolarHBondContact O-N 2.88Å
244	P	98.5	Very high	97.9	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-28.5	178.3	25.4	-36.5	0	0	0	113.1	I230 H232 P240 S241 L247 H248 L256	I230-P244 HydrophobicContact CG2-CB 3.79Å; H232-P244 HydrophobicContact CB-CB 3.99Å; H232-P244 HydrophobicContact CB-CG 3.88Å; P240-P244 WeakPolarHBondContact O-CD 3.45Å; S241-P244 VanDerWaalsContact O-CD 3.24Å; S241-P244 WeakPolarHBondContact O-CD 3.44Å; S241-P244 VanDerWaalsContact O-CG 3.25Å; S241-P244 WeakPolarHBondContact O-CG 3.26Å; P244-L247 PolarHBondContact O-N 3.49Å; P244-H248 WeakPolarHBondContact O-CB 3.34Å; P244-H248 PolarHBondContact O-N 3.22Å; P244-L256 HydrophobicContact CB-CD1 3.92Å
245	Q	98.6	Very high	97.9	Very high	104 Å²	104	62.2 Å²	62.2	49%	0.486	30%	0.303	S	S	.	.	H	α-helix	trans	-66.6	-42.8	171.6	-67.4	158.2	6	0	0	111.4	S241 H243 H248 K249 L256	S241-Q245 WeakPolarHBondContact O-CG 3.17Å; S241-Q245 PolarHBondContact O-N 3.4Å; S241-Q245 PolarHBondContact O-NE2 2.99Å; S241-Q245 PolarHBondContact O-OE1 3.45Å; H243-Q245 PolarHBondContact O-N 2.87Å; Q245-H248 PolarHBondContact O-N 3.45Å; Q245-K249 WeakPolarHBondContact O-CB 3.32Å; Q245-K249 PolarHBondContact O-N 3.49Å; Q245-L256 HydrophobicContact CG-CD2 4.44Å
246	Y	98.8	Very high	97.9	Very high	64 Å²	64	60 Å²	60	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-43.8	173.6	-175.2	-84.8	0	0	0	111.5	V158 F159 M218 L221 F242 H243 H248 K249 N250	V158-Y246 HydrophobicContact CG2-CD1 3.87Å; V158-Y246 HydrophobicContact CG2-CE1 3.91Å; F159-Y246 HydrophobicContact CD1-CD1 4.32Å; F159-Y246 HydrophobicContact CD1-CE1 4.36Å; F159-Y246 AromaticContact CE1-CD1 3.73Å; F159-Y246 HydrophobicContact CE1-CD1 3.73Å; F159-Y246 HydrophobicContact CE1-CD2 4.02Å; F159-Y246 HydrophobicContact CE1-CE1 4.15Å; F159-Y246 HydrophobicContact CE1-CE2 4.4Å; F159-Y246 AromaticContact CE1-CG 3.68Å; F159-Y246 HydrophobicContact CE1-CG 3.68Å; F159-Y246 HydrophobicContact CZ-CD2 4.47Å; F159-Y246 HydrophobicContact CZ-CG 4.36Å; M218-Y246 HydrophobicContact CE-CE1 4.4Å; M218-Y246 HydrophobicContact CE-CE2 4.17Å; M218-Y246 WeakPolarHBondContact CE-OH 3.44Å; M218-Y246 HydrophobicContact CG-CE1 4.24Å; L221-Y246 HydrophobicContact CD1-CD1 3.99Å; L221-Y246 HydrophobicContact CD1-CE1 3.61Å; F242-Y246 VanDerWaalsContact O-CB 3.31Å; F242-Y246 WeakPolarHBondContact O-CB 3.4Å; F242-Y246 PolarHBondContact O-N 2.63Å; H243-Y246 WeakPolarHBondContact O-CA 3.4Å; H243-Y246 WeakPolarHBondContact O-CB 3.32Å; H243-Y246 PolarHBondContact O-N 3.4Å; Y246-H248 PolarHBondContact O-N 3.37Å; Y246-K249 PolarHBondContact O-N 2.82Å; Y246-N250 HydrophobicContact CE1-CB 4.47Å; Y246-N250 WeakPolarHBondContact CE1-ND2 3.27Å; Y246-N250 WeakPolarHBondContact CE2-ND2 3.21Å; Y246-N250 VanDerWaalsContact CZ-ND2 3.33Å; Y246-N250 PolarHBondContact O-N 3.37Å; Y246-N250 VanDerWaalsContact O-N 3.14Å; Y246-N250 PolarHBondContact O-ND2 3.27Å
247	L	98.8	Very high	97.9	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-50	174.8	-61.5	-173.9	0	0	0	110.9	M138 V158 L221 I230 H243 P244 K249 N250 I251	M138-L247 HydrophobicContact CE-CD1 4.13Å; M138-L247 HydrophobicContact CE-CD2 4.07Å; M138-L247 HydrophobicContact SD-CD1 4.1Å; M138-L247 HydrophobicContact SD-CD2 3.77Å; V158-L247 HydrophobicContact CB-CD2 4.2Å; V158-L247 HydrophobicContact CG1-CD2 3.48Å; V158-L247 VanDerWaalsContact CG1-CD2 3.48Å; V158-L247 HydrophobicContact CG2-CD2 3.67Å; L221-L247 HydrophobicContact CD1-CD2 4.13Å; L221-L247 HydrophobicContact CD2-CD2 4.27Å; I230-L247 HydrophobicContact CD1-CB 3.62Å; I230-L247 HydrophobicContact CG1-CB 4.36Å; I230-L247 HydrophobicContact CG2-CD1 4.45Å; H243-L247 WeakPolarHBondContact O-CG 3.36Å; H243-L247 PolarHBondContact O-N 2.88Å; P244-L247 PolarHBondContact O-N 3.49Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.43Å; L247-N250 PolarHBondContact O-N 3.01Å; L247-N250 VanDerWaalsContact O-N 3.15Å; L247-I251 HydrophobicContact CB-CD1 4.39Å; L247-I251 WeakPolarHBondContact O-CB 3.5Å; L247-I251 WeakPolarHBondContact O-CG1 3.47Å; L247-I251 PolarHBondContact O-N 2.82Å
248	H	98.8	Very high	98.1	Very high	81 Å²	81	61.9 Å²	61.9	38%	0.375	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-38.3	-178.2	-176.2	41.6	0	0	0	112.3	I230 P244 Q245 Y246 N250 S254 L256	I230-H248 HydrophobicContact CD1-CB 3.87Å; P244-H248 WeakPolarHBondContact O-CB 3.34Å; P244-H248 PolarHBondContact O-N 3.22Å; Q245-H248 PolarHBondContact O-N 3.45Å; Y246-H248 PolarHBondContact O-N 3.37Å; H248-N250 VanDerWaalsContact C-N 3.33Å; H248-N250 PolarHBondContact O-N 3.12Å; H248-S254 WeakPolarHBondContact CA-OG 3.43Å; H248-S254 PolarHBondContact CE1-O 3.18Å; H248-S254 PolarHBondContact ND1-O 2.98Å; H248-S254 PolarHBondContact ND1-OG 3.18Å; H248-S254 PolarHBondContact O-OG 3.23Å; H248-S254 VanDerWaalsContact O-OG 3.07Å; H248-L256 HydrophobicContact CB-CB 4.11Å; H248-L256 HydrophobicContact CB-CD2 4.43Å
249	K	98.6	Very high	98.2	Very high	178 Å²	178	60.3 Å²	60.3	77%	0.774	29%	0.291	S	S	*	.	H	α-helix	trans	-65.5	-33.8	177	-176.8	178.6	176.9	-176.7	0	113.2	Q245 Y246 L247	Q245-K249 WeakPolarHBondContact O-CB 3.32Å; Q245-K249 PolarHBondContact O-N 3.49Å; Y246-K249 PolarHBondContact O-N 2.82Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.43Å
250	N	98.7	Very high	98.2	Very high	45 Å²	45	63.6 Å²	63.6	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-105.9	-10	-169.8	-67.6	-75.1	0	0	0	114.4	L221 Y246 L247 H248	L221-N250 CarbonylContact C-O 3.49Å; L221-N250 HydrophobicContact CB-CB 3.96Å; L221-N250 HydrophobicContact CD1-CB 3.72Å; Y246-N250 HydrophobicContact CE1-CB 4.47Å; Y246-N250 WeakPolarHBondContact CE1-ND2 3.27Å; Y246-N250 WeakPolarHBondContact CE2-ND2 3.21Å; Y246-N250 VanDerWaalsContact CZ-ND2 3.33Å; Y246-N250 PolarHBondContact O-N 3.37Å; Y246-N250 VanDerWaalsContact O-N 3.14Å; Y246-N250 PolarHBondContact O-ND2 3.27Å; L247-N250 PolarHBondContact O-N 3.01Å; L247-N250 VanDerWaalsContact O-N 3.15Å; H248-N250 VanDerWaalsContact C-N 3.33Å; H248-N250 PolarHBondContact O-N 3.12Å
251	I	98.7	Very high	98.2	Very high	1 Å²	1	67 Å²	67	1%	0.005	33%	0.325	C	S	.	.			trans	-100.9	108.7	171.6	-58.3	173.6	0	0	0	108.7	M138 L221 I224 T228 L247 A253 S254	M138-I251 HydrophobicContact SD-CD1 4.07Å; L221-I251 HydrophobicContact CB-CG1 4.05Å; L221-I251 HydrophobicContact CD2-CD1 4.33Å; L221-I251 HydrophobicContact CD2-CG1 4.29Å; I224-I251 HydrophobicContact CB-CG2 4.29Å; I224-I251 HydrophobicContact CD1-CD1 3.99Å; I224-I251 HydrophobicContact CD1-CG1 4.12Å; I224-I251 HydrophobicContact CG2-CG2 4.06Å; T228-I251 HydrophobicContact CG2-CD1 4.3Å; T228-I251 HydrophobicContact CG2-CG2 4.46Å; L247-I251 HydrophobicContact CB-CD1 4.39Å; L247-I251 WeakPolarHBondContact O-CB 3.5Å; L247-I251 WeakPolarHBondContact O-CG1 3.47Å; L247-I251 PolarHBondContact O-N 2.82Å; I251-A253 PolarHBondContact O-N 3.26Å; I251-S254 VanDerWaalsContact O-CB 3.3Å; I251-S254 WeakPolarHBondContact O-CB 3.48Å; I251-S254 PolarHBondContact O-N 3.06Å; I251-S254 PolarHBondContact O-OG 3.26Å
252	K	96.1	Very high	98.3	Very high	182 Å²	182	64 Å²	64	79%	0.791	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-45.4	-170.5	-66.9	177	-178.2	169.7	0	114	S254	K252-S254 PolarHBondContact O-N 3.47Å
253	A	95.8	Very high	98.3	Very high	49 Å²	49	66 Å²	66	41%	0.405	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	42.1	-176	0	0	0	0	0	112	P227 T228 I251	P227-A253 WeakPolarHBondContact CA-O 3.27Å; T228-A253 PolarHBondContact N-O 2.83Å; I251-A253 PolarHBondContact O-N 3.26Å
254	S	98.6	Very high	98.3	Very high	15 Å²	15	67.4 Å²	67.4	11%	0.105	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	152.6	-176.9	67.6	0	0	0	0	114.2	T228 H248 I251 K252	T228-S254 CarbonylContact O-C 3.55Å; T228-S254 WeakPolarHBondContact O-CA 3.27Å; H248-S254 WeakPolarHBondContact CA-OG 3.43Å; H248-S254 PolarHBondContact CE1-O 3.18Å; H248-S254 PolarHBondContact ND1-O 2.98Å; H248-S254 PolarHBondContact ND1-OG 3.18Å; H248-S254 PolarHBondContact O-OG 3.23Å; H248-S254 VanDerWaalsContact O-OG 3.07Å; I251-S254 VanDerWaalsContact O-CB 3.3Å; I251-S254 WeakPolarHBondContact O-CB 3.48Å; I251-S254 PolarHBondContact O-N 3.06Å; I251-S254 PolarHBondContact O-OG 3.26Å; K252-S254 PolarHBondContact O-N 3.47Å
255	R	98.7	Very high	98.3	Very high	171 Å²	171	70 Å²	70	65%	0.645	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.8	166.5	-63.5	175.4	68.3	176.5	0.8	108.4	T228 L229 I230	T228-R255 PolarHBondContact O-N 2.97Å; L229-R255 HydrophobicContact CD1-CB 4.13Å; I230-R255 PolarHBondContact N-O 3.41Å
256	L	98.8	Very high	98.3	Very high	52 Å²	52	65.1 Å²	65.1	27%	0.272	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.8	172.3	178.2	58.9	0	0	0	110.1	I230 H232 P244 Q245 H248 L258	I230-L256 HydrophobicContact CB-CD1 3.96Å; I230-L256 HydrophobicContact CG2-CD1 3.63Å; I230-L256 CarbonylContact O-C 3.51Å; I230-L256 WeakPolarHBondContact O-CA 3.47Å; H232-L256 HydrophobicContact CB-CD1 4.43Å; P244-L256 HydrophobicContact CB-CD1 3.92Å; Q245-L256 HydrophobicContact CG-CD2 4.44Å; H248-L256 HydrophobicContact CB-CB 4.11Å; H248-L256 HydrophobicContact CB-CD2 4.43Å; L256-L258 HydrophobicContact CD1-CD2 4.05Å; L256-L258 HydrophobicContact CD2-CD2 4.22Å; L256-L258 HydrophobicContact CG-CD2 4.05Å
257	H	98.8	Very high	98.3	Very high	66 Å²	66	62 Å²	62	31%	0.306	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.8	174	-175.2	86.6	0	0	0	109.8	L229 I230 I231 H232 L277	L229-H257 HydrophobicContact CD1-CB 4.14Å; I230-H257 PolarHBondContact O-N 2.99Å; I231-H257 CarbonylContact C-O 3.55Å; I231-H257 WeakPolarHBondContact CA-O 3.44Å; H232-H257 PolarHBondContact N-O 2.8Å; H257-L277 HydrophobicContact CB-CD2 4.25Å; H257-L277 WeakPolarHBondContact CD2-CD2 3.42Å
258	L	98.7	Very high	98.2	Very high	75 Å²	75	64.6 Å²	64.6	39%	0.393	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.6	178.2	-57.9	-177.9	0	0	0	109.7	H232 E234 L256	H232-L258 HydrophobicContact CB-CD2 3.93Å; H232-L258 CarbonylContact O-C 3.55Å; H232-L258 WeakPolarHBondContact O-CA 3.39Å; E234-L258 HydrophobicContact CG-CB 3.99Å; E234-L258 HydrophobicContact CG-CD1 4.44Å; L256-L258 HydrophobicContact CD1-CD2 4.05Å; L256-L258 HydrophobicContact CD2-CD2 4.22Å; L256-L258 HydrophobicContact CG-CD2 4.05Å
259	M	98.6	Very high	98.2	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	106.6	172.1	-65.3	-177.8	73.9	0	0	108.4	I231 H232 G233 E234 E261 G262 L266 Y270 E273	I231-M259 HydrophobicContact CG2-CG 4.03Å; I231-M259 HydrophobicContact CG2-SD 3.8Å; H232-M259 PolarHBondContact O-N 3.18Å; G233-M259 WeakPolarHBondContact CA-O 3.45Å; E234-M259 PolarHBondContact N-O 3.19Å; M259-E261 VanDerWaalsContact C-N 3.27Å; M259-E261 PolarHBondContact O-N 3.15Å; M259-G262 PolarHBondContact O-N 3.36Å; M259-L266 HydrophobicContact SD-CB 4.09Å; M259-L266 HydrophobicContact SD-CD1 3.76Å; M259-L266 HydrophobicContact SD-CD2 4.18Å; M259-L266 HydrophobicContact SD-CG 4.22Å; M259-Y270 HydrophobicContact CE-CD2 4.35Å; M259-Y270 HydrophobicContact CE-CG 4.13Å; M259-E273 HydrophobicContact CE-CG 4.15Å
260	P	98.2	Very high	98.2	Very high	74 Å²	74	61.7 Å²	61.7	48%	0.481	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-36	-170.9	-28.5	35.5	0	0	0	114.7	E234 K235	E234-P260 VanDerWaalsContact OE2-CA 3.29Å; E234-P260 WeakPolarHBondContact OE2-CA 3.12Å; K235-P260 WeakPolarHBondContact CE-O 3.43Å
261	E	98.3	Very high	98.2	Very high	102 Å²	102	60.4 Å²	60.4	48%	0.477	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.7	178.9	-62.7	-58.7	129.1	0	0	113	K235 M259 Y270	K235-E261 WeakPolarHBondContact CE-OE1 3.37Å; K235-E261 IonicContact NZ-OE1 3.45Å; K235-E261 PolarHBondContact NZ-OE1 2.84Å; K235-E261 IonicContact NZ-OE2 2.61Å; K235-E261 PolarHBondContact NZ-OE2 3.22Å; M259-E261 VanDerWaalsContact C-N 3.27Å; M259-E261 PolarHBondContact O-N 3.15Å; E261-Y270 HydrophobicContact CB-CE1 4.48Å; E261-Y270 WeakPolarHBondContact CB-OH 3.44Å; E261-Y270 PolarHBondContact O-OH 3.05Å
262	G	98.3	Very high	98.1	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.01	33%	0.332	C	S	.	.			trans	-63.6	140.2	-179.4	0	0	0	0	0	111.7	G233 E234 K235 M259	G233-G262 CarbonylContact C-O 3.56Å; G233-G262 VanDerWaalsContact CA-C 3.45Å; G233-G262 WeakPolarHBondContact CA-O 3.36Å; E234-G262 PolarHBondContact N-O 3.07Å; K235-G262 CarbonylContact C-O 3.52Å; K235-G262 WeakPolarHBondContact CA-O 3.32Å; K235-G262 WeakPolarHBondContact CB-O 3.15Å; K235-G262 PolarHBondContact N-O 2.82Å; M259-G262 PolarHBondContact O-N 3.36Å
263	K	98.3	Very high	98.3	Very high	114 Å²	114	64.9 Å²	64.9	50%	0.496	32%	0.316	S	S	.	.			trans	-115	-167.5	167	-59.7	-168.3	175.1	-174.1	0	109.3	K235 N265 L266	K235-K263 HydrophobicContact CB-CG 4.06Å; K263-N265 VanDerWaalsContact C-N 3.26Å; K263-N265 PolarHBondContact O-N 3.4Å; K263-L266 WeakPolarHBondContact O-CB 3.43Å; K263-L266 PolarHBondContact O-N 3.21Å; K263-L266 VanDerWaalsContact O-N 3.15Å
264	H	98.1	Very high	98.4	Very high	30 Å²	30	62.5 Å²	62.5	14%	0.139	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-37.2	-179.7	-157.9	61.3	0	0	0	114	W130 S131 G155 D236 M238 L266	W130-H264 AromaticContact CZ2-CD2 3.78Å; W130-H264 AromaticContact NE1-CD2 3.78Å; W130-H264 AromaticContact NE1-NE2 3.79Å; W130-H264 PolarHBondContact NE1-O 2.97Å; S131-H264 PolarHBondContact OG-NE2 2.91Å; S131-H264 VanDerWaalsContact OG-NE2 3.14Å; G155-H264 PolarHBondContact O-CE1 3.41Å; G155-H264 VanDerWaalsContact O-CE1 3.28Å; D236-H264 WeakPolarHBondContact OD1-CB 3.16Å; D236-H264 IonicContact OD1-CG 3.02Å; D236-H264 IonicContact OD1-ND1 2.64Å; D236-H264 PolarHBondContact OD1-ND1 3.4Å; D236-H264 WeakPolarHBondContact OD2-CA 3.37Å; D236-H264 IonicContact OD2-CE1 3.32Å; D236-H264 IonicContact OD2-CG 3.43Å; D236-H264 IonicContact OD2-ND1 3.19Å; D236-H264 PolarHBondContact OD2-ND1 3.05Å; M238-H264 HydrophobicContact CB-CB 4.48Å; M238-H264 HydrophobicContact CG-CB 4.38Å; H264-L266 PolarHBondContact O-N 3.19Å
265	N	97.7	Very high	98.4	Very high	59 Å²	59	62.2 Å²	62.2	32%	0.316	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	34	-179.8	69.7	-23.9	0	0	0	113.7	W130 K263 H267 L268 K269	W130-N265 HydrophobicContact CZ2-CB 4.17Å; K263-N265 VanDerWaalsContact C-N 3.26Å; K263-N265 PolarHBondContact O-N 3.4Å; N265-H267 PolarHBondContact O-N 2.89Å; N265-H267 VanDerWaalsContact O-N 3.16Å; N265-L268 HydrophobicContact CB-CD1 4.38Å; N265-L268 PolarHBondContact O-N 2.8Å; N265-K269 PolarHBondContact O-N 3.45Å
266	L	98.4	Very high	98.4	Very high	1 Å²	1	60 Å²	60	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-51.7	-38.5	-176.3	58.3	86.5	0	0	0	113.8	W154 I231 M259 K263 H264 L268 K269 Y270 F274	W154-L266 HydrophobicContact CG-CD1 4.23Å; I231-L266 HydrophobicContact CG2-CD1 4.04Å; I231-L266 HydrophobicContact CG2-CD2 4.12Å; M259-L266 HydrophobicContact SD-CB 4.09Å; M259-L266 HydrophobicContact SD-CD1 3.76Å; M259-L266 HydrophobicContact SD-CD2 4.18Å; M259-L266 HydrophobicContact SD-CG 4.22Å; K263-L266 WeakPolarHBondContact O-CB 3.43Å; K263-L266 PolarHBondContact O-N 3.21Å; K263-L266 VanDerWaalsContact O-N 3.15Å; H264-L266 PolarHBondContact O-N 3.19Å; L266-L268 PolarHBondContact O-N 2.86Å; L266-K269 PolarHBondContact O-N 2.87Å; L266-Y270 HydrophobicContact CB-CD2 4.45Å; L266-Y270 WeakPolarHBondContact O-CA 3.5Å; L266-Y270 WeakPolarHBondContact O-CB 3.3Å; L266-Y270 PolarHBondContact O-N 3.09Å; L266-F274 HydrophobicContact CD1-CD2 3.25Å; L266-F274 HydrophobicContact CD1-CE2 3.58Å; L266-F274 HydrophobicContact CD1-CG 4.23Å
267	H	98.7	Very high	98.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-21.3	179.1	69.1	-65.5	0	0	0	114.3	D68 Q72 W130 W154 N265 A271 F274	D68-H267 PolarHBondContact O-CD2 2.92Å; D68-H267 VanDerWaalsContact O-CD2 3.24Å; D68-H267 PolarHBondContact O-NE2 3.09Å; Q72-H267 PolarHBondContact NE2-O 3.46Å; W130-H267 AromaticContact CD2-CE1 3.26Å; W130-H267 AromaticContact CD2-NE2 3.86Å; W130-H267 AromaticContact CE2-CE1 3.48Å; W130-H267 VanDerWaalsContact CE2-CE1 3.48Å; W130-H267 AromaticContact CE3-CE1 3.38Å; W130-H267 AromaticContact CE3-NE2 3.6Å; W130-H267 AromaticContact CG-CE1 3.8Å; W130-H267 AromaticContact CH2-CE1 3.93Å; W130-H267 AromaticContact CZ2-CE1 3.82Å; W130-H267 AromaticContact CZ3-CE1 3.71Å; W130-H267 AromaticContact CZ3-NE2 4Å; W154-H267 AromaticContact CE2-CG 3.74Å; W154-H267 AromaticContact CE2-ND1 3.76Å; W154-H267 HydrophobicContact CZ2-CB 3.74Å; W154-H267 AromaticContact CZ2-CD2 3.72Å; W154-H267 AromaticContact CZ2-CG 3.49Å; W154-H267 VanDerWaalsContact CZ2-CG 3.49Å; W154-H267 AromaticContact CZ2-ND1 3.86Å; W154-H267 AromaticContact NE1-CE1 3.82Å; W154-H267 AromaticContact NE1-CG 3.57Å; W154-H267 AromaticContact NE1-ND1 3.13Å; W154-H267 PolarHBondContact NE1-ND1 3.34Å; W154-H267 VanDerWaalsContact NE1-ND1 3.13Å; N265-H267 PolarHBondContact O-N 2.89Å; N265-H267 VanDerWaalsContact O-N 3.16Å; H267-A271 WeakPolarHBondContact O-CA 3.25Å; H267-A271 WeakPolarHBondContact O-CB 3.34Å; H267-F274 HydrophobicContact CB-CD1 3.57Å; H267-F274 HydrophobicContact CB-CD2 3.93Å; H267-F274 HydrophobicContact CB-CE1 3.55Å; H267-F274 HydrophobicContact CB-CE2 3.88Å; H267-F274 HydrophobicContact CB-CG 3.76Å; H267-F274 HydrophobicContact CB-CZ 3.7Å
268	L	98.1	Very high	98.4	Very high	57 Å²	57	56.4 Å²	56.4	30%	0.298	27%	0.272	S	S	.	.	H	α-helix	trans	-91.8	-46.3	173.8	-63	178.2	0	0	0	111	D68 P71 N265 L266	D68-L268 WeakPolarHBondContact O-CD2 3.3Å; P71-L268 HydrophobicContact CG-CD2 3.85Å; N265-L268 HydrophobicContact CB-CD1 4.38Å; N265-L268 PolarHBondContact O-N 2.8Å; L266-L268 PolarHBondContact O-N 2.86Å
269	K	97.9	Very high	98.4	Very high	127 Å²	127	54.2 Å²	54.2	55%	0.552	26%	0.26	S	S	*	.	H	α-helix	trans	-73.8	-37.1	-173.5	179	59.5	-177.9	168.7	0	112.8	N265 L266	N265-K269 PolarHBondContact O-N 3.45Å; L266-K269 PolarHBondContact O-N 2.87Å
270	Y	98.4	Very high	98.4	Very high	70 Å²	70	57.1 Å²	57.1	28%	0.275	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	42.5	-178.6	-57.2	-81.8	0	0	0	110.1	M259 E261 L266 E272 E273 F274	M259-Y270 HydrophobicContact CE-CD2 4.35Å; M259-Y270 HydrophobicContact CE-CG 4.13Å; E261-Y270 HydrophobicContact CB-CE1 4.48Å; E261-Y270 WeakPolarHBondContact CB-OH 3.44Å; E261-Y270 PolarHBondContact O-OH 3.05Å; L266-Y270 HydrophobicContact CB-CD2 4.45Å; L266-Y270 WeakPolarHBondContact O-CA 3.5Å; L266-Y270 WeakPolarHBondContact O-CB 3.3Å; L266-Y270 PolarHBondContact O-N 3.09Å; Y270-E272 VanDerWaalsContact C-N 3.31Å; Y270-E272 PolarHBondContact O-N 3.46Å; Y270-E273 PolarHBondContact O-N 3.21Å; Y270-F274 WeakPolarHBondContact O-CB 3.44Å; Y270-F274 PolarHBondContact O-N 2.88Å
271	A	98.5	Very high	98.4	Very high	19 Å²	19	54.8 Å²	54.8	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-38	-168.2	0	0	0	0	0	114.2	P71 H267 N275	P71-A271 HydrophobicContact CB-CB 3.56Å; P71-A271 HydrophobicContact CG-CB 4.11Å; H267-A271 WeakPolarHBondContact O-CA 3.25Å; H267-A271 WeakPolarHBondContact O-CB 3.34Å; A271-N275 WeakPolarHBondContact O-CB 3.47Å; A271-N275 PolarHBondContact O-N 3.11Å; A271-N275 PolarHBondContact O-ND2 3.33Å; A271-N275 PolarHBondContact O-OD1 3.29Å
272	E	98.3	Very high	98.4	Very high	176 Å²	176	50 Å²	50	82%	0.822	24%	0.235	S	C	*	.	H	α-helix	trans	-66.1	-48.6	178.9	-66.7	-177.7	-178.7	0	0	112	Y270 K276	Y270-E272 VanDerWaalsContact C-N 3.31Å; Y270-E272 PolarHBondContact O-N 3.46Å; E272-K276 VanDerWaalsContact O-CB 3.32Å; E272-K276 WeakPolarHBondContact O-CB 3.46Å; E272-K276 PolarHBondContact O-N 3.33Å
273	E	98.6	Very high	98	Very high	100 Å²	100	54.1 Å²	54.1	47%	0.467	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-47.5	176.7	-176.2	-177.2	169.3	0	0	111	M259 Y270 K276 L277	M259-E273 HydrophobicContact CE-CG 4.15Å; Y270-E273 PolarHBondContact O-N 3.21Å; E273-K276 PolarHBondContact O-N 3.41Å; E273-L277 WeakPolarHBondContact O-CB 3.45Å; E273-L277 PolarHBondContact O-N 2.86Å
274	F	98.8	Very high	96.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-50.3	177.8	177.3	-93.5	0	0	0	112	Q72 W154 I231 L266 H267 Y270 K276 L277 V278	Q72-F274 HydrophobicContact CG-CE1 4.35Å; W154-F274 AromaticContact CD2-CE2 3.84Å; W154-F274 HydrophobicContact CD2-CE2 3.84Å; W154-F274 AromaticContact CD2-CZ 3.87Å; W154-F274 HydrophobicContact CD2-CZ 3.87Å; W154-F274 AromaticContact CE2-CZ 3.89Å; W154-F274 AromaticContact CE3-CE2 3.94Å; W154-F274 HydrophobicContact CE3-CE2 3.94Å; W154-F274 AromaticContact CE3-CZ 3.67Å; W154-F274 HydrophobicContact CE3-CZ 3.67Å; W154-F274 HydrophobicContact CG-CE2 4.31Å; W154-F274 HydrophobicContact CH2-CE1 4.24Å; W154-F274 AromaticContact CH2-CZ 3.6Å; W154-F274 HydrophobicContact CH2-CZ 3.6Å; W154-F274 HydrophobicContact CZ2-CE1 4.38Å; W154-F274 HydrophobicContact CZ2-CE2 4.39Å; W154-F274 AromaticContact CZ2-CZ 3.74Å; W154-F274 HydrophobicContact CZ2-CZ 3.74Å; W154-F274 HydrophobicContact CZ3-CE2 4.31Å; W154-F274 AromaticContact CZ3-CZ 3.57Å; W154-F274 HydrophobicContact CZ3-CZ 3.57Å; I231-F274 HydrophobicContact CD1-CD2 3.89Å; I231-F274 HydrophobicContact CD1-CE2 3.54Å; I231-F274 HydrophobicContact CD1-CZ 4.42Å; L266-F274 HydrophobicContact CD1-CD2 3.25Å; L266-F274 HydrophobicContact CD1-CE2 3.58Å; L266-F274 HydrophobicContact CD1-CG 4.23Å; H267-F274 HydrophobicContact CB-CD1 3.57Å; H267-F274 HydrophobicContact CB-CD2 3.93Å; H267-F274 HydrophobicContact CB-CE1 3.55Å; H267-F274 HydrophobicContact CB-CE2 3.88Å; H267-F274 HydrophobicContact CB-CG 3.76Å; H267-F274 HydrophobicContact CB-CZ 3.7Å; Y270-F274 WeakPolarHBondContact O-CB 3.44Å; Y270-F274 PolarHBondContact O-N 2.88Å; F274-K276 VanDerWaalsContact C-N 3.32Å; F274-K276 PolarHBondContact O-N 3.14Å; F274-L277 PolarHBondContact O-N 3.34Å; F274-V278 HydrophobicContact CD1-CG2 4.05Å; F274-V278 HydrophobicContact CE1-CG2 3.59Å; F274-V278 HydrophobicContact CE2-CG2 4.2Å; F274-V278 HydrophobicContact CZ-CG2 3.67Å; F274-V278 WeakPolarHBondContact O-CB 3.43Å; F274-V278 WeakPolarHBondContact O-CG2 3.28Å; F274-V278 PolarHBondContact O-N 2.64Å
275	N	98.8	Very high	96.3	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.048	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-41.1	-179.3	-71.9	-9	0	0	0	110.7	P71 Q72 L76 A271 L277 V278 E279	P71-N275 PolarHBondContact O-ND2 2.93Å; Q72-N275 WeakPolarHBondContact CG-OD1 3.44Å; Q72-N275 PolarHBondContact NE2-OD1 3.45Å; L76-N275 HydrophobicContact CD2-CB 4.13Å; A271-N275 WeakPolarHBondContact O-CB 3.47Å; A271-N275 PolarHBondContact O-N 3.11Å; A271-N275 PolarHBondContact O-ND2 3.33Å; A271-N275 PolarHBondContact O-OD1 3.29Å; N275-L277 PolarHBondContact O-N 3.3Å; N275-V278 PolarHBondContact O-N 2.73Å; N275-E279 WeakPolarHBondContact O-CB 3.46Å; N275-E279 VanDerWaalsContact O-CG 3.31Å; N275-E279 WeakPolarHBondContact O-CG 3.27Å; N275-E279 PolarHBondContact O-N 3.37Å
276	K	98.5	Very high	96.2	Very high	125 Å²	125	59.8 Å²	59.8	54%	0.543	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-47.6	175.1	175	168	170.6	45	0	111.5	E272 E273 F274 V278 E279 D280	E272-K276 VanDerWaalsContact O-CB 3.32Å; E272-K276 WeakPolarHBondContact O-CB 3.46Å; E272-K276 PolarHBondContact O-N 3.33Å; E273-K276 PolarHBondContact O-N 3.41Å; F274-K276 VanDerWaalsContact C-N 3.32Å; F274-K276 PolarHBondContact O-N 3.14Å; K276-V278 PolarHBondContact O-N 3.14Å; K276-E279 PolarHBondContact O-N 2.57Å; K276-D280 IonicContact NZ-OD1 2.96Å; K276-D280 IonicContact NZ-OD2 2.78Å; K276-D280 PolarHBondContact NZ-OD2 3.15Å; K276-D280 VanDerWaalsContact O-CB 3.32Å; K276-D280 WeakPolarHBondContact O-CB 3.29Å; K276-D280 VanDerWaalsContact O-CG 3.22Å; K276-D280 PolarHBondContact O-N 3.42Å
277	L	98.6	Very high	96.1	Very high	41 Å²	41	63.1 Å²	63.1	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-44.6	178.2	177.7	63.3	0	0	0	111.8	L229 I231 H257 E273 F274 N275 D280 F281	L229-L277 HydrophobicContact CD2-CD1 4.33Å; L229-L277 HydrophobicContact CD2-CD2 4.33Å; L229-L277 HydrophobicContact CD2-CG 3.96Å; I231-L277 HydrophobicContact CD1-CD2 3.69Å; I231-L277 HydrophobicContact CD1-CG 4.34Å; I231-L277 HydrophobicContact CG1-CD2 3.97Å; H257-L277 HydrophobicContact CB-CD2 4.25Å; H257-L277 WeakPolarHBondContact CD2-CD2 3.42Å; E273-L277 WeakPolarHBondContact O-CB 3.45Å; E273-L277 PolarHBondContact O-N 2.86Å; F274-L277 PolarHBondContact O-N 3.34Å; N275-L277 PolarHBondContact O-N 3.3Å; L277-D280 PolarHBondContact O-N 3.14Å; L277-F281 WeakPolarHBondContact O-CB 2.79Å; L277-F281 PolarHBondContact O-N 2.81Å
278	V	98.7	Very high	95.9	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-52.8	175.2	164.1	0	0	0	0	111.1	L76 L128 V152 F274 N275 K276 D280 F281 L282	L76-V278 HydrophobicContact CD2-CG1 4.18Å; L128-V278 HydrophobicContact CD1-CG1 4.06Å; L128-V278 HydrophobicContact CD2-CG1 3.83Å; L128-V278 HydrophobicContact CD2-CG2 4.34Å; L128-V278 HydrophobicContact CG-CG1 4.39Å; V152-V278 HydrophobicContact CG1-CG2 4.19Å; F274-V278 HydrophobicContact CD1-CG2 4.05Å; F274-V278 HydrophobicContact CE1-CG2 3.59Å; F274-V278 HydrophobicContact CE2-CG2 4.2Å; F274-V278 HydrophobicContact CZ-CG2 3.67Å; F274-V278 WeakPolarHBondContact O-CB 3.43Å; F274-V278 WeakPolarHBondContact O-CG2 3.28Å; F274-V278 PolarHBondContact O-N 2.64Å; N275-V278 PolarHBondContact O-N 2.73Å; K276-V278 PolarHBondContact O-N 3.14Å; V278-D280 VanDerWaalsContact C-N 3.3Å; V278-D280 PolarHBondContact O-N 3.02Å; V278-F281 PolarHBondContact O-N 2.61Å; V278-F281 VanDerWaalsContact O-N 3.16Å; V278-L282 HydrophobicContact CG1-CD1 3.77Å; V278-L282 HydrophobicContact CG1-CG 4.21Å; V278-L282 WeakPolarHBondContact O-CB 3.24Å; V278-L282 WeakPolarHBondContact O-CG 3.32Å; V278-L282 PolarHBondContact O-N 3.24Å
279	E	98.5	Very high	95.8	Very high	30 Å²	30	67.4 Å²	67.4	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-41.5	-178.3	-71.9	-166.9	-175.2	0	0	111.5	L76 N77 R80 F81 N275 K276 F281 L282 K283	L76-E279 WeakPolarHBondContact CA-OE1 3.21Å; L76-E279 HydrophobicContact CD2-CG 3.78Å; N77-E279 WeakPolarHBondContact CB-OE1 3.29Å; N77-E279 PolarHBondContact N-OE1 3.47Å; R80-E279 IonicContact NH1-OE2 3.51Å; F81-E279 HydrophobicContact CE2-CB 4.34Å; F81-E279 HydrophobicContact CE2-CG 3.83Å; N275-E279 WeakPolarHBondContact O-CB 3.46Å; N275-E279 VanDerWaalsContact O-CG 3.31Å; N275-E279 WeakPolarHBondContact O-CG 3.27Å; N275-E279 PolarHBondContact O-N 3.37Å; K276-E279 PolarHBondContact O-N 2.57Å; E279-F281 VanDerWaalsContact C-N 3.28Å; E279-F281 PolarHBondContact O-N 3.03Å; E279-L282 PolarHBondContact O-N 3.16Å; E279-K283 VanDerWaalsContact O-CG 3.31Å; E279-K283 WeakPolarHBondContact O-CG 3.34Å; E279-K283 PolarHBondContact O-N 3.14Å
280	D	98.3	Very high	95.6	Very high	65 Å²	65	63.4 Å²	63.4	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-35.7	177.7	-73.8	-22.8	0	0	0	111.7	K276 L277 V278 K283	K276-D280 IonicContact NZ-OD1 2.96Å; K276-D280 IonicContact NZ-OD2 2.78Å; K276-D280 PolarHBondContact NZ-OD2 3.15Å; K276-D280 VanDerWaalsContact O-CB 3.32Å; K276-D280 WeakPolarHBondContact O-CB 3.29Å; K276-D280 VanDerWaalsContact O-CG 3.22Å; K276-D280 PolarHBondContact O-N 3.42Å; L277-D280 PolarHBondContact O-N 3.14Å; V278-D280 VanDerWaalsContact C-N 3.3Å; V278-D280 PolarHBondContact O-N 3.02Å; D280-K283 WeakPolarHBondContact OD1-CE 3.03Å; D280-K283 IonicContact OD1-NZ 2.66Å; D280-K283 PolarHBondContact OD1-NZ 3.13Å
281	F	98.6	Very high	95.5	Very high	24 Å²	24	62.9 Å²	62.9	11%	0.105	31%	0.309	C	S	.	.	H	α-helix	trans	-75.2	-37.8	175.6	178.2	-104	0	0	0	113.5	K150 M151 V152 P227 L229 L277 V278 E279 K283	K150-F281 HydrophobicContact CB-CE1 3.99Å; K150-F281 HydrophobicContact CD-CE1 4.25Å; K150-F281 WeakPolarHBondContact CD-O 3.45Å; K150-F281 PolarHBondContact NZ-O 2.89Å; M151-F281 WeakPolarHBondContact O-CE1 3.33Å; V152-F281 HydrophobicContact CG2-CD1 3.67Å; V152-F281 HydrophobicContact CG2-CE1 4.07Å; P227-F281 HydrophobicContact CB-CZ 4.07Å; L229-F281 HydrophobicContact CB-CD1 3.7Å; L229-F281 HydrophobicContact CB-CD2 3.87Å; L229-F281 HydrophobicContact CB-CE1 3.67Å; L229-F281 HydrophobicContact CB-CE2 3.85Å; L229-F281 HydrophobicContact CB-CG 3.79Å; L229-F281 HydrophobicContact CB-CZ 3.76Å; L229-F281 HydrophobicContact CD2-CB 3.85Å; L229-F281 HydrophobicContact CD2-CD1 4.3Å; L229-F281 HydrophobicContact CD2-CD2 4.38Å; L229-F281 HydrophobicContact CD2-CG 3.92Å; L229-F281 HydrophobicContact CG-CG 4.42Å; L277-F281 WeakPolarHBondContact O-CB 2.79Å; L277-F281 PolarHBondContact O-N 2.81Å; V278-F281 PolarHBondContact O-N 2.61Å; V278-F281 VanDerWaalsContact O-N 3.16Å; E279-F281 VanDerWaalsContact C-N 3.28Å; E279-F281 PolarHBondContact O-N 3.03Å; F281-K283 VanDerWaalsContact C-N 3.32Å
282	L	98.2	Very high	95.2	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-77.1	-15.7	-179.6	-68.1	-174.7	0	0	0	113.4	H53 V55 F81 L128 K150 V152 V278 E279 D284	H53-L282 PolarHBondContact CE1-O 3.16Å; H53-L282 VanDerWaalsContact CE1-O 3.28Å; V55-L282 HydrophobicContact CG1-CD1 4.39Å; V55-L282 HydrophobicContact CG2-CD1 4.01Å; F81-L282 HydrophobicContact CE1-CB 3.82Å; F81-L282 HydrophobicContact CE1-CD1 4.23Å; F81-L282 HydrophobicContact CZ-CB 3.87Å; F81-L282 HydrophobicContact CZ-CD1 4.49Å; L128-L282 HydrophobicContact CD1-CD1 3.96Å; K150-L282 HydrophobicContact CB-CD2 3.82Å; K150-L282 HydrophobicContact CD-CD2 4.35Å; V152-L282 HydrophobicContact CG2-CD2 4.38Å; V278-L282 HydrophobicContact CG1-CD1 3.77Å; V278-L282 HydrophobicContact CG1-CG 4.21Å; V278-L282 WeakPolarHBondContact O-CB 3.24Å; V278-L282 WeakPolarHBondContact O-CG 3.32Å; V278-L282 PolarHBondContact O-N 3.24Å; E279-L282 PolarHBondContact O-N 3.16Å; L282-D284 PolarHBondContact O-N 3.22Å
283	K	91	Very high	95	Very high	88 Å²	88	57.2 Å²	57.2	38%	0.383	28%	0.278	S	S	.	.			trans	-56.4	128.9	167	-77.9	167.8	-168.2	172.4	0	109.8	R80 K150 E279 D280 F281	R80-K283 VanDerWaalsContact NH1-CE 3.3Å; K150-K283 PolarHBondContact NZ-O 2.9Å; E279-K283 VanDerWaalsContact O-CG 3.31Å; E279-K283 WeakPolarHBondContact O-CG 3.34Å; E279-K283 PolarHBondContact O-N 3.14Å; D280-K283 WeakPolarHBondContact OD1-CE 3.03Å; D280-K283 IonicContact OD1-NZ 2.66Å; D280-K283 PolarHBondContact OD1-NZ 3.13Å; F281-K283 VanDerWaalsContact C-N 3.32Å
284	D	63	Low	94.6	Very high	203 Å²	203	53.3 Å²	53.3	100%	1.086	26%	0.261	S	S	*	.			trans	37.2	0	174.9	-54.3	-31.3	0	0	0	114.9	K150 L282	K150-D284 WeakPolarHBondContact CE-OXT 3.47Å; K150-D284 PolarHBondContact NZ-O 3.26Å; K150-D284 PolarHBondContact NZ-OXT 3.4Å; L282-D284 PolarHBondContact O-N 3.22Å

Retrieved 284 of 284 residues in 86.8 ms (Link to these results)

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