A0A060W709_ONCMY Loading...

Peptide deformylase

Removes the formyl group from the N-terminal Met of newly synthesized proteins.

AlphaFold DB , UniProt , Accession A0A060W709, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494342, Length 249 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	31	Very low	231 Å²	231	139.1 Å²	139.1	100%	1.138	82%	0.817	S	S	*	*				0	108.6	0	-83.7	172.6	170.2	0	0	106.4
2	N	25.1	Very low	31	Very low	165 Å²	165	139.3 Å²	139.3	88%	0.882	82%	0.821	S	S	*	*			trans	-70.4	131.3	-165.7	-71.4	-8.4	0	0	0	111.2
3	I	31.5	Very low	31.1	Very low	148 Å²	148	146.5 Å²	146.5	76%	0.759	83%	0.826	S	S	*	*			trans	-106.2	107.6	175.1	-60.8	173	0	0	0	106.3	V5	I3-V5 HydrophobicContact CG2-CG2 4.04Å
4	T	27	Very low	31.1	Very low	121 Å²	121	143.1 Å²	143.1	74%	0.742	83%	0.825	S	S	*	*			trans	-87.6	126.2	173.2	-42.9	0	0	0	0	108.4
5	V	33.9	Very low	31	Very low	75 Å²	75	148.9 Å²	148.9	46%	0.455	83%	0.83	S	S	.	*			trans	-115.4	118.5	177.9	-174.7	0	0	0	0	109.4	I3 A245	I3-V5 HydrophobicContact CG2-CG2 4.04Å; V5-A245 HydrophobicContact CB-CB 3.96Å; V5-A245 HydrophobicContact CG2-CB 4.19Å
6	C	29.5	Very low	31	Very low	129 Å²	129	155 Å²	155	87%	0.872	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-79.5	132	-174.9	-154.1	0	0	0	0	111.4
7	S	31.5	Very low	30.8	Very low	90 Å²	90	156.7 Å²	156.7	63%	0.629	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-95.1	131.5	178.8	-78.2	0	0	0	0	112.2	A246	S7-A246 WeakPolarHBondContact OG-CB 3.35Å
8	S	33.6	Very low	30.7	Very low	118 Å²	118	155.6 Å²	155.6	83%	0.825	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-95.8	133.5	171.3	55.8	0	0	0	0	112.2
9	A	30.7	Very low	30.8	Very low	103 Å²	103	155.8 Å²	155.8	85%	0.851	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-82.5	136.2	-176	0	0	0	0	0	113.6
10	L	31.3	Very low	30.9	Very low	173 Å²	173	153.9 Å²	153.9	91%	0.906	84%	0.843	S	S	*	*			trans	-114.2	119.4	169.1	-85	162	0	0	0	110.3
11	L	32.3	Very low	31.1	Very low	177 Å²	177	156.4 Å²	156.4	93%	0.927	85%	0.845	S	S	*	*			trans	-91	117.8	174.7	-83	158.3	0	0	0	110.7
12	T	30.8	Very low	31.2	Very low	142 Å²	142	149.8 Å²	149.8	87%	0.871	83%	0.828	S	S	*	*			trans	-79.3	130.3	172.7	41.7	0	0	0	0	112.1
13	R	32.8	Very low	31.7	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.879	83%	0.826	S	S	*	*			trans	-104.8	115.3	175.3	-155.9	175.9	-179.1	-168.1	0.9	110.6
14	A	31.5	Very low	31.9	Very low	99 Å²	99	152.3 Å²	152.3	82%	0.818	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-80.5	135.7	178.3	0	0	0	0	0	112
15	Y	29.2	Very low	32.3	Very low	230 Å²	230	152.2 Å²	152.2	90%	0.902	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-90.6	128.1	173.4	-84.7	-93	0	0	0	110.9
16	R	30.6	Very low	32.3	Very low	246 Å²	246	158 Å²	158	93%	0.928	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-98.4	116.6	178.5	-142.7	178.1	-170.1	-167.6	3.3	109
17	M	28.6	Very low	32.5	Very low	184 Å²	184	156.2 Å²	156.2	91%	0.906	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-85.1	126.5	173	-91.5	179.8	147.8	0	0	110.6
18	C	29.1	Very low	32.7	Very low	136 Å²	136	158.6 Å²	158.6	92%	0.919	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-85.7	127.3	170.1	-79.2	0	0	0	0	110.5
19	I	32.5	Very low	32.7	Very low	161 Å²	161	156.9 Å²	156.9	83%	0.826	86%	0.857	S	S	*	*			trans	-106.2	121.8	171.6	-62.5	173.1	0	0	0	107.5
20	S	33.3	Very low	33	Very low	117 Å²	117	157.6 Å²	157.6	82%	0.818	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-85.9	138.8	173.7	50.5	0	0	0	0	111.3
21	K	33.6	Very low	33.4	Very low	206 Å²	206	157.8 Å²	157.8	90%	0.896	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-83.4	142.2	-179.3	-72.5	176.8	174.6	176.7	0	111.5
22	A	36	Very low	33.4	Very low	93 Å²	93	152.1 Å²	152.1	77%	0.769	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-87.8	148.5	167.4	0	0	0	0	0	111.5
23	P	36.8	Very low	33.6	Very low	131 Å²	131	156.6 Å²	156.6	85%	0.851	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-90.6	150.3	173.9	11.8	5.8	0	0	0	113.4
24	R	34.5	Very low	33.7	Very low	234 Å²	234	151.9 Å²	151.9	88%	0.883	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-87.7	162.7	177.4	-69	-173.6	-170.3	-165.8	2.9	112.2
25	P	36.6	Very low	34	Very low	120 Å²	120	152.6 Å²	152.6	78%	0.779	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-93.1	155.1	-175.8	36.8	-31.5	0	0	0	112.9
26	H	33.9	Very low	34.5	Very low	195 Å²	195	146.1 Å²	146.1	90%	0.903	82%	0.817	S	S	*	*			trans	-128.3	163.8	166.4	-85.6	-65.8	0	0	0	111.3
27	S	33.6	Very low	35	Very low	92 Å²	92	140.8 Å²	140.8	64%	0.643	81%	0.812	S	S	*	*			trans	-107.6	162.4	-140.4	52.9	0	0	0	0	115.5
28	T	36.3	Very low	35.3	Very low	140 Å²	140	136.8 Å²	136.8	86%	0.859	80%	0.801	S	S	*	*			trans	62.1	119.4	142.4	53	0	0	0	0	120.9
29	G	32.3	Very low	35.9	Very low	83 Å²	83	138.4 Å²	138.4	86%	0.856	80%	0.797	S	S	*	*			trans	-165.8	111.7	154.4	0	0	0	0	0	110.5
30	S	38.4	Very low	36.5	Very low	117 Å²	117	135.8 Å²	135.8	82%	0.818	79%	0.793	S	S	*	*			trans	-91.1	128.1	178.1	49.5	0	0	0	0	111.1
31	I	37.9	Very low	37.1	Very low	178 Å²	178	135.5 Å²	135.5	91%	0.913	79%	0.788	S	S	*	*			trans	-148.2	136.3	157.4	-85.1	136.3	0	0	0	107.8
32	G	32.2	Very low	37.7	Very low	58 Å²	58	133.7 Å²	133.7	60%	0.598	79%	0.789	S	S	*	*			trans	-86.3	158	-172.1	0	0	0	0	0	116.1
33	W	36	Very low	38.2	Very low	235 Å²	235	138.5 Å²	138.5	89%	0.89	79%	0.787	S	S	*	*			trans	44.1	103.6	147.3	-59.9	94.8	0	0	0	120
34	V	34.3	Very low	38.9	Very low	135 Å²	135	137.5 Å²	137.5	82%	0.818	78%	0.783	S	S	*	*				-149.4	133.4	117.4	-167	0	0	0	0	106.3	P36	V34-P36 VanDerWaalsContact O-CD 3.26Å; V34-P36 WeakPolarHBondContact O-CD 3.39Å
35	V	37.8	Very low	39.6	Very low	114 Å²	114	135.1 Å²	135.1	69%	0.691	78%	0.775	S	S	*	*			trans	-91.9	104	170.8	-175.6	0	0	0	0	107.1
36	P	40.3	Very low	40.6	Very low	93 Å²	93	133.4 Å²	133.4	60%	0.604	77%	0.766	S	S	*	*			trans	-77.5	125.7	163.8	10.8	7.6	0	0	0	106.4	V34 C38	V34-P36 VanDerWaalsContact O-CD 3.26Å; V34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-C38 PolarHBondContact O-N 2.73Å
37	V	41.8	Very low	41.6	Very low	134 Å²	134	129.3 Å²	129.3	81%	0.812	76%	0.755	S	S	*	*			trans	-64.6	87.2	163.2	176.3	0	0	0	0	106.7	M39	V37-M39 PolarHBondContact O-N 3.01Å; V37-M39 VanDerWaalsContact O-N 3.1Å
38	C	34.4	Very low	42.6	Very low	100 Å²	100	131.2 Å²	131.2	68%	0.676	76%	0.758	S	S	*	*			trans	-68.8	103.3	168.5	-77.6	0	0	0	0	106.9	P36 S40	P36-C38 PolarHBondContact O-N 2.73Å; C38-S40 PolarHBondContact O-N 2.81Å
39	M	41.8	Very low	43.7	Very low	170 Å²	170	130.9 Å²	130.9	84%	0.837	75%	0.75	S	S	*	*			trans	-52.8	111.1	159.9	-63.4	-140.1	93.8	0	0	106.8	V37 P41	V37-M39 PolarHBondContact O-N 3.01Å; V37-M39 VanDerWaalsContact O-N 3.1Å; M39-P41 WeakPolarHBondContact O-CD 3.29Å; M39-P41 VanDerWaalsContact O-N 3.15Å
40	S	44.4	Very low	45.2	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	75%	0.747	S	S	*	*			trans	-63.5	115.1	178.3	-65.1	0	0	0	0	107.4	C38 N42	C38-S40 PolarHBondContact O-N 2.81Å; S40-N42 PolarHBondContact O-N 3.12Å
41	P	45.4	Very low	46.4	Very low	111 Å²	111	136.3 Å²	136.3	72%	0.721	75%	0.746	S	S	*	*			trans	-63.7	126.7	158.9	7.4	6.7	0	0	0	104.5	M39 R43	M39-P41 WeakPolarHBondContact O-CD 3.29Å; M39-P41 VanDerWaalsContact O-N 3.15Å; P41-R43 PolarHBondContact O-N 3.43Å
42	N	47.3	Very low	47.6	Very low	169 Å²	169	136.6 Å²	136.6	90%	0.904	74%	0.735	S	S	*	*			trans	-61.6	78.9	167.8	-117.6	-11.6	0	0	0	107.4	S40 S44	S40-N42 PolarHBondContact O-N 3.12Å; N42-S44 VanDerWaalsContact C-N 3.28Å; N42-S44 PolarHBondContact O-N 3.38Å
43	R	46.6	Very low	50	Low	193 Å²	193	136.4 Å²	136.4	73%	0.728	73%	0.725	S	S	*	*			trans	-77	92.8	174.3	-156.6	176.6	-158.5	-144	4.2	104.1	P41 Y45	P41-R43 PolarHBondContact O-N 3.43Å; R43-Y45 VanDerWaalsContact C-N 3.29Å; R43-Y45 WeakPolarHBondContact O-CD2 3.38Å; R43-Y45 PolarHBondContact O-N 3.48Å
44	S	50.5	Low	52.1	Low	111 Å²	111	133.1 Å²	133.1	78%	0.776	71%	0.714	S	S	*	*			trans	-54.7	102.7	165.8	64.4	0	0	0	0	106.2	N42 S46	N42-S44 VanDerWaalsContact C-N 3.28Å; N42-S44 PolarHBondContact O-N 3.38Å; S44-S46 PolarHBondContact O-N 3.11Å
45	Y	49.3	Very low	54.2	Low	183 Å²	183	132.5 Å²	132.5	72%	0.718	71%	0.705	S	S	*	*			trans	-64	100.3	166	-79.3	-89.6	0	0	0	104.8	R43 T47	R43-Y45 VanDerWaalsContact C-N 3.29Å; R43-Y45 WeakPolarHBondContact O-CD2 3.38Å; R43-Y45 PolarHBondContact O-N 3.48Å; Y45-T47 PolarHBondContact O-N 2.88Å
46	S	57.3	Low	56.2	Low	84 Å²	84	132.7 Å²	132.7	59%	0.587	70%	0.699	S	S	*	*			trans	-61.6	95.7	161.6	178.8	0	0	0	0	105.1	S44 N48	S44-S46 PolarHBondContact O-N 3.11Å; S46-N48 PolarHBondContact O-N 3.13Å; S46-N48 PolarHBondContact OG-ND2 2.77Å; S46-N48 VanDerWaalsContact OG-ND2 3.09Å
47	T	55.3	Low	58.1	Low	109 Å²	109	134.2 Å²	134.2	67%	0.669	69%	0.693	S	S	*	*			trans	-72.3	69.5	166.7	54.5	0	0	0	0	106.7	Y45 I49	Y45-T47 PolarHBondContact O-N 2.88Å; T47-I49 PolarHBondContact O-N 2.85Å
48	N	55.7	Low	60.1	Low	133 Å²	133	131.1 Å²	131.1	71%	0.711	67%	0.671	S	S	*	*			trans	-70.5	32.6	165.1	-100.5	-36.8	0	0	0	110.7	S46 K50	S46-N48 PolarHBondContact O-N 3.13Å; S46-N48 PolarHBondContact OG-ND2 2.77Å; S46-N48 VanDerWaalsContact OG-ND2 3.09Å; N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 3.38Å
49	I	58	Low	62.3	Low	133 Å²	133	134.2 Å²	134.2	68%	0.682	67%	0.673	S	S	*	*			trans	-76	92.9	166.4	-59.4	176.2	0	0	0	104.9	T47 V51	T47-I49 PolarHBondContact O-N 2.85Å; I49-V51 VanDerWaalsContact C-N 3.27Å; I49-V51 HydrophobicContact CG2-CG2 4.43Å; I49-V51 PolarHBondContact O-N 2.83Å
50	K	64.1	Low	64	Low	181 Å²	181	135 Å²	135	79%	0.787	67%	0.666	S	S	*	*			trans	-61.8	94.3	167.4	-69.1	-176.4	179.4	-179.5	0	107.4	N48 R52	N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 3.38Å; K50-R52 VanDerWaalsContact C-N 3.33Å; K50-R52 PolarHBondContact O-N 2.88Å
51	V	63.1	Low	65.8	Low	132 Å²	132	136.1 Å²	136.1	80%	0.8	66%	0.658	S	S	*	*			trans	-63.4	99.8	170.1	-176.2	0	0	0	0	106.2	I49 S53	I49-V51 VanDerWaalsContact C-N 3.27Å; I49-V51 HydrophobicContact CG2-CG2 4.43Å; I49-V51 PolarHBondContact O-N 2.83Å; V51-S53 PolarHBondContact O-N 2.8Å
52	R	63.5	Low	67.6	Low	184 Å²	184	136.5 Å²	136.5	69%	0.694	65%	0.652	S	S	*	*			trans	-65.4	127.7	174.3	-78.5	-175.6	175.1	177.2	1.5	107.4	K50 Y54	K50-R52 VanDerWaalsContact C-N 3.33Å; K50-R52 PolarHBondContact O-N 2.88Å; R52-Y54 PolarHBondContact O-N 2.89Å
53	S	83.9	Confident	68.9	Low	54 Å²	54	137.4 Å²	137.4	38%	0.378	65%	0.648	S	S	.	*			trans	-50.9	125	175.8	159.1	0	0	0	0	110	V51 L55 Q56 Y57	V51-S53 PolarHBondContact O-N 2.8Å; S53-L55 PolarHBondContact O-N 3.09Å; S53-L55 PolarHBondContact OG-N 3.44Å; S53-Q56 WeakPolarHBondContact O-CA 3.49Å; S53-Q56 WeakPolarHBondContact O-CB 3.46Å; S53-Q56 PolarHBondContact O-N 2.83Å; S53-Q56 PolarHBondContact OG-N 3.17Å; S53-Y57 PolarHBondContact O-N 3.33Å
54	Y	80.1	Confident	70.3	Confident	166 Å²	166	133.3 Å²	133.3	65%	0.651	65%	0.647	S	S	*	*	H	α-helix	trans	-54.4	-35.4	176.1	177.8	-103.2	0	0	0	111.3	R52 Q56 Y57 M58	R52-Y54 PolarHBondContact O-N 2.89Å; Y54-Q56 VanDerWaalsContact C-N 3.34Å; Y54-Q56 PolarHBondContact O-N 2.91Å; Y54-Y57 WeakPolarHBondContact O-CB 3.48Å; Y54-Y57 PolarHBondContact O-N 2.99Å; Y54-M58 HydrophobicContact CD1-CG 4.09Å; Y54-M58 HydrophobicContact CE1-CG 3.69Å; Y54-M58 HydrophobicContact CE1-SD 4.4Å; Y54-M58 HydrophobicContact CE2-CG 4.28Å; Y54-M58 HydrophobicContact CE2-SD 4.46Å; Y54-M58 WeakPolarHBondContact O-CB 3.47Å; Y54-M58 WeakPolarHBondContact O-CG 3.33Å; Y54-M58 PolarHBondContact O-N 2.86Å
55	L	77.6	Confident	71.6	Confident	123 Å²	123	133.4 Å²	133.4	64%	0.644	65%	0.645	S	S	*	*	H	α-helix	trans	-63.9	-37.5	173.9	-68.2	171	0	0	0	112.5	S53 M58 K59	S53-L55 PolarHBondContact O-N 3.09Å; S53-L55 PolarHBondContact OG-N 3.44Å; L55-M58 PolarHBondContact O-N 2.88Å; L55-K59 WeakPolarHBondContact O-CB 3.39Å; L55-K59 WeakPolarHBondContact O-CG 3.42Å; L55-K59 PolarHBondContact O-N 3.33Å
56	Q	79.6	Confident	73.2	Confident	118 Å²	118	128.8 Å²	128.8	55%	0.551	64%	0.637	S	S	*	*	H	α-helix	trans	-72.2	-32.4	177.4	-139.1	172.3	12.4	0	0	111.7	S53 Y54 R60	S53-Q56 WeakPolarHBondContact O-CA 3.49Å; S53-Q56 WeakPolarHBondContact O-CB 3.46Å; S53-Q56 PolarHBondContact O-N 2.83Å; S53-Q56 PolarHBondContact OG-N 3.17Å; Y54-Q56 VanDerWaalsContact C-N 3.34Å; Y54-Q56 PolarHBondContact O-N 2.91Å; Q56-R60 WeakPolarHBondContact O-CG 3.3Å; Q56-R60 PolarHBondContact O-N 2.84Å
57	Y	80.4	Confident	74.9	Confident	124 Å²	124	129.3 Å²	129.3	49%	0.486	64%	0.641	S	S	.	*	H	α-helix	trans	-65.2	-48.3	168.7	173.9	-90.6	0	0	0	111.3	S53 Y54 R60 K61	S53-Y57 PolarHBondContact O-N 3.33Å; Y54-Y57 WeakPolarHBondContact O-CB 3.48Å; Y54-Y57 PolarHBondContact O-N 2.99Å; Y57-R60 WeakPolarHBondContact O-CB 3.33Å; Y57-R60 PolarHBondContact O-N 2.88Å; Y57-R60 VanDerWaalsContact O-N 3.17Å; Y57-K61 HydrophobicContact CD1-CG 4.33Å; Y57-K61 HydrophobicContact CE1-CG 3.95Å; Y57-K61 VanDerWaalsContact CZ-CE 3.45Å; Y57-K61 WeakPolarHBondContact O-CG 3.39Å; Y57-K61 PolarHBondContact O-N 3.24Å; Y57-K61 WeakPolarHBondContact OH-CE 3.3Å
58	M	84.5	Confident	76.7	Confident	70 Å²	70	126.9 Å²	126.9	35%	0.345	63%	0.627	S	S	.	*	H	α-helix	trans	-62.3	-43.7	178.1	-75.1	-60.3	-61.2	0	0	112.2	Y54 L55 R60 K61 I62	Y54-M58 HydrophobicContact CD1-CG 4.09Å; Y54-M58 HydrophobicContact CE1-CG 3.69Å; Y54-M58 HydrophobicContact CE1-SD 4.4Å; Y54-M58 HydrophobicContact CE2-CG 4.28Å; Y54-M58 HydrophobicContact CE2-SD 4.46Å; Y54-M58 WeakPolarHBondContact O-CB 3.47Å; Y54-M58 WeakPolarHBondContact O-CG 3.33Å; Y54-M58 PolarHBondContact O-N 2.86Å; L55-M58 PolarHBondContact O-N 2.88Å; M58-R60 PolarHBondContact O-N 3.42Å; M58-K61 WeakPolarHBondContact O-CA 3.33Å; M58-K61 WeakPolarHBondContact O-CB 3.38Å; M58-K61 PolarHBondContact O-N 2.83Å; M58-I62 WeakPolarHBondContact O-CG1 3.44Å; M58-I62 PolarHBondContact O-N 3.4Å
59	K	80.1	Confident	78.7	Confident	164 Å²	164	122.4 Å²	122.4	71%	0.713	61%	0.605	S	S	*	*	H	α-helix	trans	-57.8	-33.3	174.3	-79.2	-176.7	179.6	-173.7	0	113.1	L55 K61	L55-K59 WeakPolarHBondContact O-CB 3.39Å; L55-K59 WeakPolarHBondContact O-CG 3.42Å; L55-K59 PolarHBondContact O-N 3.33Å; K59-K61 VanDerWaalsContact C-N 3.35Å
60	R	78.2	Confident	80.5	Confident	186 Å²	186	118.4 Å²	118.4	70%	0.702	58%	0.582	S	S	*	*	H	α-helix	trans	-76.5	-20.5	174.6	-74	177.6	174	-164.7	-2.3	113.7	Q56 Y57 M58	Q56-R60 WeakPolarHBondContact O-CG 3.3Å; Q56-R60 PolarHBondContact O-N 2.84Å; Y57-R60 WeakPolarHBondContact O-CB 3.33Å; Y57-R60 PolarHBondContact O-N 2.88Å; Y57-R60 VanDerWaalsContact O-N 3.17Å; M58-R60 PolarHBondContact O-N 3.42Å
61	K	81.8	Confident	81.9	Confident	131 Å²	131	114 Å²	114	57%	0.57	57%	0.571	S	S	*	*	H	α-helix	trans	-85.9	-24.1	176.5	-70.1	-67.8	-170.6	174.6	0	112.6	Y57 M58 K59 K63	Y57-K61 HydrophobicContact CD1-CG 4.33Å; Y57-K61 HydrophobicContact CE1-CG 3.95Å; Y57-K61 VanDerWaalsContact CZ-CE 3.45Å; Y57-K61 WeakPolarHBondContact O-CG 3.39Å; Y57-K61 PolarHBondContact O-N 3.24Å; Y57-K61 WeakPolarHBondContact OH-CE 3.3Å; M58-K61 WeakPolarHBondContact O-CA 3.33Å; M58-K61 WeakPolarHBondContact O-CB 3.38Å; M58-K61 PolarHBondContact O-N 2.83Å; K59-K61 VanDerWaalsContact C-N 3.35Å; K61-K63 PolarHBondContact O-N 2.85Å
62	I	82.9	Confident	83.5	Confident	118 Å²	118	111.4 Å²	111.4	61%	0.605	55%	0.551	S	S	*	*			trans	-76	105.9	174.1	-62	165.4	0	0	0	108.2	M58	M58-I62 WeakPolarHBondContact O-CG1 3.44Å; M58-I62 PolarHBondContact O-N 3.4Å
63	K	74.4	Confident	85.1	Confident	188 Å²	188	103 Å²	103	82%	0.817	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-77.6	132.5	169.1	-66.8	-177.6	180	180	0	108	K61	K61-K63 PolarHBondContact O-N 2.85Å
64	P	75.8	Confident	85.8	Confident	108 Å²	108	100.4 Å²	100.4	70%	0.701	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-58.9	151.4	170.2	27.4	-33.4	0	0	0	109.2
65	P	77.6	Confident	86.7	Confident	112 Å²	112	95.5 Å²	95.5	73%	0.727	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-55.6	143.2	171.1	26.2	-33.2	0	0	0	108.6	S67	P65-S67 PolarHBondContact O-N 3.34Å
66	P	84.2	Confident	87.6	Confident	87 Å²	87	92.9 Å²	92.9	57%	0.565	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-57.1	139.6	175.7	26	-33	0	0	0	108.9	Y70	P66-Y70 HydrophobicContact CB-CD1 4.19Å; P66-Y70 HydrophobicContact CB-CE1 4Å; P66-Y70 HydrophobicContact CG-CD1 4.43Å; P66-Y70 HydrophobicContact CG-CE1 4.05Å; P66-Y70 VanDerWaalsContact O-CE1 3.31Å; P66-Y70 WeakPolarHBondContact O-CE1 3.36Å
67	S	91.4	Very high	88.5	Confident	94 Å²	94	90.7 Å²	90.7	66%	0.657	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-93.5	147.3	169.6	55.8	0	0	0	0	109.5	P65	P65-S67 PolarHBondContact O-N 3.34Å
68	P	94.3	Very high	89.3	Confident	58 Å²	58	87.9 Å²	87.9	38%	0.377	47%	0.474	S	S	.	.	S	Bend	trans	-64.3	157.2	170.6	29.4	-34.8	0	0	0	110.7	Y70 G123 V124	P68-Y70 HydrophobicContact CB-CD2 4.44Å; P68-Y70 HydrophobicContact CB-CE2 4.25Å; P68-G123 WeakPolarHBondContact CB-O 3.5Å; P68-V124 HydrophobicContact CB-CG2 3.93Å
69	P	96.9	Very high	89.9	Confident	39 Å²	39	89.8 Å²	89.8	25%	0.253	49%	0.492	S	S	.	.	S	Bend	cis	-70.5	132.7	-0.7	28.5	-34.3	0	0	0	112.7	V101 S104 V122 V124	P69-V101 HydrophobicContact CG-CG2 4.44Å; P69-S104 WeakPolarHBondContact CG-OG 3.46Å; P69-V122 WeakPolarHBondContact CA-O 3.32Å; P69-V122 HydrophobicContact CB-CB 4.47Å; P69-V122 HydrophobicContact CB-CG2 4.17Å; P69-V124 HydrophobicContact CB-CG2 3.88Å
70	Y	96.3	Very high	90.8	Very high	49 Å²	49	83.1 Å²	83.1	19%	0.192	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-76.6	146.4	-177.8	-65.3	-49.9	0	0	0	112.6	P66 P68 H72 V122	P66-Y70 HydrophobicContact CB-CD1 4.19Å; P66-Y70 HydrophobicContact CB-CE1 4Å; P66-Y70 HydrophobicContact CG-CD1 4.43Å; P66-Y70 HydrophobicContact CG-CE1 4.05Å; P66-Y70 VanDerWaalsContact O-CE1 3.31Å; P66-Y70 WeakPolarHBondContact O-CE1 3.36Å; P68-Y70 HydrophobicContact CB-CD2 4.44Å; P68-Y70 HydrophobicContact CB-CE2 4.25Å; Y70-H72 AromaticContact CD1-CE1 3.89Å; Y70-H72 AromaticContact CG-CE1 3.68Å; Y70-H72 PolarHBondContact O-N 3.21Å; Y70-V122 WeakPolarHBondContact CD2-O 3.43Å; Y70-V122 PolarHBondContact N-O 3.17Å
71	P	94.4	Very high	91.7	Very high	88 Å²	88	74.3 Å²	74.3	57%	0.571	43%	0.432	S	S	*	.	S	Bend	trans	-80.5	7.3	173.3	35.2	-37.4	0	0	0	113.4	K111	P71-K111 PolarHBondContact O-NZ 3.2Å
72	H	95.1	Very high	92.5	Very high	78 Å²	78	73.3 Å²	73.3	36%	0.361	43%	0.425	S	S	.	.	S	Bend	trans	-132	166.6	178.8	64.6	-86.9	0	0	0	108.9	Y70	Y70-H72 AromaticContact CD1-CE1 3.89Å; Y70-H72 AromaticContact CG-CE1 3.68Å; Y70-H72 PolarHBondContact O-N 3.21Å
73	V	98	Very high	93.2	Very high	7 Å²	7	69.9 Å²	69.9	4%	0.042	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-92.8	124.7	179	-179.5	0	0	0	0	109.7	Q75 V108 F112 L117 Q121 E179 S180	V73-Q75 PolarHBondContact O-NE2 2.9Å; V73-Q75 VanDerWaalsContact O-NE2 3.07Å; V73-V108 HydrophobicContact CG2-CG1 3.61Å; V73-F112 HydrophobicContact CG2-CD2 4.06Å; V73-F112 HydrophobicContact CG2-CE2 4.06Å; V73-L117 HydrophobicContact CG2-CD1 4.33Å; V73-Q121 CarbonylContact C-O 3.58Å; V73-Q121 WeakPolarHBondContact CA-O 3.49Å; V73-Q121 HydrophobicContact CG1-CB 4.19Å; V73-E179 HydrophobicContact CB-CB 4.3Å; V73-E179 HydrophobicContact CG1-CB 3.8Å; V73-E179 HydrophobicContact CG2-CB 4.09Å; V73-S180 WeakPolarHBondContact CG1-OG 3.39Å
74	C	98.1	Very high	94.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-55.3	139.1	171.6	-68.3	0	0	0	0	110.4	E78 V80 L81 Q121 G123 S180	C74-E78 WeakPolarHBondContact CA-OE1 3.38Å; C74-E78 HydrophobicContact CB-CB 4.49Å; C74-E78 WeakPolarHBondContact CB-OE2 3.44Å; C74-E78 PolarHBondContact SG-OE2 2.65Å; C74-V80 HydrophobicContact CB-CG1 4.31Å; C74-L81 HydrophobicContact CB-CD1 4.16Å; C74-L81 HydrophobicContact CB-CD2 4.17Å; C74-L81 HydrophobicContact CB-CG 4.17Å; C74-Q121 PolarHBondContact N-O 3.4Å; C74-G123 PolarHBondContact SG-N 3.01Å; C74-S180 WeakPolarHBondContact O-CA 3.33Å; C74-S180 WeakPolarHBondContact O-CB 3.43Å; C74-S180 PolarHBondContact O-OG 3.42Å
75	Q	98.4	Very high	95.5	Very high	63 Å²	63	63.6 Å²	63.6	29%	0.294	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-102	154.3	179.7	-63.2	-57.8	-70.7	0	0	112	V73 G77 E78 L81 E179 S180 S182	V73-Q75 PolarHBondContact O-NE2 2.9Å; V73-Q75 VanDerWaalsContact O-NE2 3.07Å; Q75-G77 PolarHBondContact O-N 3.22Å; Q75-E78 PolarHBondContact N-OE1 2.81Å; Q75-E78 WeakPolarHBondContact O-CB 3.42Å; Q75-E78 WeakPolarHBondContact O-CG 3.43Å; Q75-E78 PolarHBondContact O-N 3.23Å; Q75-L81 VanDerWaalsContact C-CD1 3.42Å; Q75-L81 WeakPolarHBondContact O-CD1 3.4Å; Q75-E179 PolarHBondContact NE2-O 3.14Å; Q75-E179 PolarHBondContact OE1-O 3.01Å; Q75-S180 CarbonylContact C-O 3.49Å; Q75-S180 WeakPolarHBondContact CA-O 3.45Å; Q75-S180 PolarHBondContact OE1-O 2.9Å; Q75-S182 PolarHBondContact OE1-OG 3.24Å
76	V	97.9	Very high	96.5	Very high	68 Å²	68	61 Å²	61	41%	0.412	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	131.9	174.8	62.9	0	0	0	0	110.9	S180 I181 L229 I231	V76-S180 PolarHBondContact N-O 2.85Å; V76-I181 HydrophobicContact CB-CG1 4.08Å; V76-I181 HydrophobicContact CG1-CG1 4.13Å; V76-L229 HydrophobicContact CB-CD1 4.23Å; V76-L229 HydrophobicContact CG2-CD1 3.77Å; V76-I231 HydrophobicContact CG2-CD1 4.34Å
77	G	97.3	Very high	97.2	Very high	73 Å²	73	60.2 Å²	60.2	75%	0.753	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.7	-25.4	-168.2	0	0	0	0	0	112.4	Q75	Q75-G77 PolarHBondContact O-N 3.22Å
78	E	97.5	Very high	97.5	Very high	64 Å²	64	56.1 Å²	56.1	30%	0.299	34%	0.336	S	S	.	.			trans	-72.4	131.7	169.8	-68.5	-176.6	-124.9	0	0	111.3	C74 Q75 V80 L81	C74-E78 WeakPolarHBondContact CA-OE1 3.38Å; C74-E78 HydrophobicContact CB-CB 4.49Å; C74-E78 WeakPolarHBondContact CB-OE2 3.44Å; C74-E78 PolarHBondContact SG-OE2 2.65Å; Q75-E78 PolarHBondContact N-OE1 2.81Å; Q75-E78 WeakPolarHBondContact O-CB 3.42Å; Q75-E78 WeakPolarHBondContact O-CG 3.43Å; Q75-E78 PolarHBondContact O-N 3.23Å; E78-V80 VanDerWaalsContact C-N 3.25Å; E78-V80 HydrophobicContact CB-CG1 4.26Å; E78-V80 PolarHBondContact O-N 3.35Å; E78-L81 PolarHBondContact O-N 3.34Å
79	P	97.6	Very high	97.7	Very high	110 Å²	110	58.4 Å²	58.4	71%	0.714	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-66.5	-26.5	-171.8	25.5	-34.7	0	0	0	113.3	L81 R82 A83	P79-L81 PolarHBondContact O-N 2.92Å; P79-R82 PolarHBondContact O-N 3.23Å; P79-A83 PolarHBondContact O-N 3.02Å; P79-A83 VanDerWaalsContact O-N 3.11Å
80	V	97.9	Very high	97.7	Very high	25 Å²	25	60.1 Å²	60.1	15%	0.152	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-59.1	-30.8	178.3	67.6	0	0	0	0	112.4	C74 E78 R82 P120 P125	C74-V80 HydrophobicContact CB-CG1 4.31Å; E78-V80 VanDerWaalsContact C-N 3.25Å; E78-V80 HydrophobicContact CB-CG1 4.26Å; E78-V80 PolarHBondContact O-N 3.35Å; V80-R82 VanDerWaalsContact C-N 3.27Å; V80-R82 PolarHBondContact O-N 3.43Å; V80-P120 WeakPolarHBondContact CG1-O 3.31Å; V80-P120 HydrophobicContact CG2-CB 4.28Å; V80-P125 HydrophobicContact CG2-CB 4.35Å
81	L	98.6	Very high	97.8	Very high	1 Å²	1	61 Å²	61	1%	0.005	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-78.8	-9.7	179	-61.9	178.9	0	0	0	113.7	C74 Q75 E78 P79 Q121 G227	C74-L81 HydrophobicContact CB-CD1 4.16Å; C74-L81 HydrophobicContact CB-CD2 4.17Å; C74-L81 HydrophobicContact CB-CG 4.17Å; Q75-L81 VanDerWaalsContact C-CD1 3.42Å; Q75-L81 WeakPolarHBondContact O-CD1 3.4Å; E78-L81 PolarHBondContact O-N 3.34Å; P79-L81 PolarHBondContact O-N 2.92Å; L81-Q121 HydrophobicContact CD2-CB 4.46Å; L81-Q121 HydrophobicContact CD2-CG 3.91Å; L81-G227 CarbonylContact O-C 3.59Å; L81-G227 WeakPolarHBondContact O-CA 3.13Å
82	R	98.5	Very high	97.9	Very high	110 Å²	110	58.7 Å²	58.7	42%	0.415	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-6.1	179.4	-65.9	-55.8	-163.7	171.8	3	112.9	P79 V80 G227 D232	P79-R82 PolarHBondContact O-N 3.23Å; V80-R82 VanDerWaalsContact C-N 3.27Å; V80-R82 PolarHBondContact O-N 3.43Å; R82-G227 WeakPolarHBondContact CD-O 3.46Å; R82-G227 PolarHBondContact NH1-O 3.03Å; R82-D232 IonicContact CZ-OD1 2.92Å; R82-D232 IonicContact CZ-OD2 2.77Å; R82-D232 VanDerWaalsContact NH1-CG 3.34Å; R82-D232 IonicContact NH1-OD1 3.76Å; R82-D232 PolarHBondContact NH1-OD1 3.28Å; R82-D232 IonicContact NH1-OD2 3.78Å; R82-D232 PolarHBondContact NH1-OD2 3.01Å; R82-D232 IonicContact NH2-OD1 3.82Å; R82-D232 PolarHBondContact NH2-OD1 3.02Å; R82-D232 IonicContact NH2-OD2 3.74Å
83	A	97.8	Very high	98.1	Very high	45 Å²	45	55 Å²	55	37%	0.372	35%	0.352	S	S	.	.	S	Bend	trans	-87.3	145.1	175.5	0	0	0	0	0	110.7	P79 A85	P79-A83 PolarHBondContact O-N 3.02Å; P79-A83 VanDerWaalsContact O-N 3.11Å; A83-A85 PolarHBondContact O-N 3.22Å
84	K	98.5	Very high	98.1	Very high	158 Å²	158	61.2 Å²	61.2	69%	0.687	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-70.8	123	168.3	-173.6	171.1	-173.8	173.3	0	109.3	D226	K84-D226 WeakPolarHBondContact CE-OD1 3.28Å
85	A	98.6	Very high	98.1	Very high	7 Å²	7	62.3 Å²	62.3	6%	0.058	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-69.3	142.7	-178.6	0	0	0	0	0	111.6	A83 P120 R127 L225	A83-A85 PolarHBondContact O-N 3.22Å; A85-P120 HydrophobicContact CB-CG 4.07Å; A85-R127 HydrophobicContact CB-CG 3.86Å; A85-R127 VanDerWaalsContact O-CG 3.3Å; A85-R127 WeakPolarHBondContact O-CG 3.38Å; A85-L225 HydrophobicContact CB-CB 4.49Å; A85-L225 HydrophobicContact CB-CD2 4.49Å; A85-L225 WeakPolarHBondContact CB-O 3.38Å; A85-L225 PolarHBondContact N-O 2.99Å
86	A	98.6	Very high	98.1	Very high	56 Å²	56	64.6 Å²	64.6	46%	0.463	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-77.5	146.4	179.3	0	0	0	0	0	111.6	P125 L126 R127	A86-P125 PolarHBondContact N-O 3.02Å; A86-L126 HydrophobicContact CB-CD2 4.4Å; A86-L126 CarbonylContact O-C 3.54Å; A86-L126 WeakPolarHBondContact O-CA 3.48Å; A86-R127 WeakPolarHBondContact O-CG 3.18Å; A86-R127 PolarHBondContact O-N 2.8Å
87	A	98.6	Very high	98	Very high	71 Å²	71	69.3 Å²	69.3	59%	0.587	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-65.5	143.1	173	0	0	0	0	0	110.6	N161	A87-N161 VanDerWaalsContact CA-OD1 3.29Å; A87-N161 WeakPolarHBondContact CA-OD1 3.15Å
88	V	98.6	Very high	98.1	Very high	9 Å²	9	66.3 Å²	66.3	6%	0.055	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-81.9	135.5	171.2	-177.2	0	0	0	0	108.5	P90 V93 V98 L126 I128 I160 N161	V88-P90 WeakPolarHBondContact O-CD 3.33Å; V88-V93 HydrophobicContact CG1-CG2 4.15Å; V88-V98 HydrophobicContact CG1-CG1 4.44Å; V88-V98 HydrophobicContact CG1-CG2 3.79Å; V88-L126 HydrophobicContact CG2-CB 3.97Å; V88-L126 HydrophobicContact CG2-CD1 4.26Å; V88-L126 HydrophobicContact CG2-CD2 4.28Å; V88-L126 HydrophobicContact CG2-CG 4.4Å; V88-I128 HydrophobicContact CG2-CD1 4.03Å; V88-I128 HydrophobicContact CG2-CG1 3.83Å; V88-I160 HydrophobicContact CB-CG2 3.64Å; V88-I160 HydrophobicContact CG1-CG2 4.09Å; V88-I160 HydrophobicContact CG2-CG2 3.77Å; V88-N161 PolarHBondContact N-OD1 3.39Å; V88-N161 PolarHBondContact O-ND2 2.76Å
89	D	98.2	Very high	98.1	Very high	106 Å²	106	66.2 Å²	66.2	57%	0.567	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-62.2	123.4	168.9	175.5	7.9	0	0	0	109.5	G91 A92 V93	D89-G91 PolarHBondContact O-N 3.17Å; D89-G91 VanDerWaalsContact O-N 3.12Å; D89-G91 PolarHBondContact OD1-N 3.25Å; D89-A92 HydrophobicContact CB-CB 4.05Å; D89-A92 WeakPolarHBondContact O-CB 3.14Å; D89-A92 PolarHBondContact O-N 2.8Å; D89-V93 PolarHBondContact O-N 3.16Å
90	P	97.6	Very high	98.1	Very high	75 Å²	75	63.2 Å²	63.2	49%	0.487	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-50.8	-34.6	176	-29	36.8	0	0	0	113.9	V88 A92 V93 L199	V88-P90 WeakPolarHBondContact O-CD 3.33Å; P90-A92 VanDerWaalsContact C-N 3.26Å; P90-A92 PolarHBondContact O-N 3.43Å; P90-V93 WeakPolarHBondContact O-CG2 3.25Å; P90-V93 PolarHBondContact O-N 3.2Å; P90-L199 HydrophobicContact CB-CD1 3.87Å; P90-L199 HydrophobicContact CG-CD1 4.18Å
91	G	97.7	Very high	98.2	Very high	68 Å²	68	62.5 Å²	62.5	70%	0.701	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-68.9	-22.2	177.1	0	0	0	0	0	114	D89	D89-G91 PolarHBondContact O-N 3.17Å; D89-G91 VanDerWaalsContact O-N 3.12Å; D89-G91 PolarHBondContact OD1-N 3.25Å
92	A	97.6	Very high	98.2	Very high	39 Å²	39	63 Å²	63	32%	0.322	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-91.9	-7.1	-179.3	0	0	0	0	0	113.6	D89 P90 Q94 G95 V98	D89-A92 HydrophobicContact CB-CB 4.05Å; D89-A92 WeakPolarHBondContact O-CB 3.14Å; D89-A92 PolarHBondContact O-N 2.8Å; P90-A92 VanDerWaalsContact C-N 3.26Å; P90-A92 PolarHBondContact O-N 3.43Å; A92-Q94 VanDerWaalsContact C-N 3.35Å; A92-Q94 PolarHBondContact O-N 3.27Å; A92-G95 WeakPolarHBondContact O-CA 3.43Å; A92-G95 PolarHBondContact O-N 3.11Å; A92-V98 WeakPolarHBondContact O-CG2 3.29Å
93	V	98.3	Very high	98.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-44.9	-174.5	166.3	0	0	0	0	112.8	V88 D89 P90 G95 V98 Q99 I160 L199 A203	V88-V93 HydrophobicContact CG1-CG2 4.15Å; D89-V93 PolarHBondContact O-N 3.16Å; P90-V93 WeakPolarHBondContact O-CG2 3.25Å; P90-V93 PolarHBondContact O-N 3.2Å; V93-G95 PolarHBondContact O-N 3.39Å; V93-V98 WeakPolarHBondContact O-CG1 3.43Å; V93-Q99 PolarHBondContact O-NE2 2.97Å; V93-I160 HydrophobicContact CB-CD1 4.27Å; V93-I160 HydrophobicContact CG1-CD1 3.43Å; V93-I160 VanDerWaalsContact CG1-CD1 3.43Å; V93-I160 HydrophobicContact CG2-CD1 3.98Å; V93-I160 HydrophobicContact CG2-CG2 4.14Å; V93-L199 HydrophobicContact CG2-CD1 4.17Å; V93-A203 HydrophobicContact CB-CB 3.78Å; V93-A203 HydrophobicContact CG1-CB 3.72Å; V93-A203 HydrophobicContact CG2-CB 4.39Å
94	Q	98.2	Very high	98.2	Very high	138 Å²	138	63 Å²	63	65%	0.645	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.8	177.2	-62.4	-174.2	41.2	0	0	112.7	A92 K202 A203	A92-Q94 VanDerWaalsContact C-N 3.35Å; A92-Q94 PolarHBondContact O-N 3.27Å; Q94-K202 PolarHBondContact NE2-O 2.84Å; Q94-A203 HydrophobicContact CG-CB 4.38Å
95	G	98.3	Very high	98.1	Very high	22 Å²	22	55.6 Å²	55.6	23%	0.227	35%	0.346	C	S	.	.	S	Bend	trans	-67.6	153.1	177.7	0	0	0	0	0	112.4	A92 V93 E97 V98 Q99	A92-G95 WeakPolarHBondContact O-CA 3.43Å; A92-G95 PolarHBondContact O-N 3.11Å; V93-G95 PolarHBondContact O-N 3.39Å; G95-E97 PolarHBondContact O-N 3.43Å; G95-V98 PolarHBondContact O-N 3.03Å; G95-Q99 WeakPolarHBondContact O-CG 3.3Å; G95-Q99 PolarHBondContact O-N 3.38Å; G95-Q99 VanDerWaalsContact O-N 3.09Å
96	P	97.9	Very high	98.1	Very high	112 Å²	112	56.1 Å²	56.1	73%	0.727	35%	0.349	S	S	*	.	H	α-helix	trans	-60.7	-30.8	-174	23.8	-34.2	0	0	0	113.3	A100	P96-A100 VanDerWaalsContact O-CB 3.24Å; P96-A100 WeakPolarHBondContact O-CB 3.33Å; P96-A100 PolarHBondContact O-N 3.47Å
97	E	96.8	Very high	98.1	Very high	166 Å²	166	60.1 Å²	60.1	78%	0.776	36%	0.356	S	S	*	.	H	α-helix	trans	-68.4	-51.2	179.8	-63.3	-175.8	173	0	0	111.9	G95 Q99 A100 V101	G95-E97 PolarHBondContact O-N 3.43Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 2.86Å; E97-A100 PolarHBondContact O-N 3.01Å; E97-V101 WeakPolarHBondContact O-CG2 3.35Å; E97-V101 PolarHBondContact O-N 3.07Å; E97-V101 VanDerWaalsContact O-N 3.09Å
98	V	98.4	Very high	98.1	Very high	10 Å²	10	56.9 Å²	56.9	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-41.8	178.9	176	0	0	0	0	110.6	V88 A92 V93 G95 A100 V101 I102 I128 I160	V88-V98 HydrophobicContact CG1-CG1 4.44Å; V88-V98 HydrophobicContact CG1-CG2 3.79Å; A92-V98 WeakPolarHBondContact O-CG2 3.29Å; V93-V98 WeakPolarHBondContact O-CG1 3.43Å; G95-V98 PolarHBondContact O-N 3.03Å; V98-A100 VanDerWaalsContact C-N 3.32Å; V98-A100 PolarHBondContact O-N 3.18Å; V98-V101 WeakPolarHBondContact O-CB 3.36Å; V98-V101 PolarHBondContact O-N 2.87Å; V98-I102 HydrophobicContact CG1-CD1 3.93Å; V98-I102 HydrophobicContact CG1-CG1 4.46Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 2.98Å; V98-I128 HydrophobicContact CG1-CD1 4.01Å; V98-I160 HydrophobicContact CG1-CD1 4.35Å
99	Q	98.4	Very high	98.1	Very high	62 Å²	62	56.5 Å²	56.5	29%	0.29	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-36.5	176.6	-66.2	-62.1	-47.9	0	0	112.3	V93 G95 E97 V101 I102 H103 E201	V93-Q99 PolarHBondContact O-NE2 2.97Å; G95-Q99 WeakPolarHBondContact O-CG 3.3Å; G95-Q99 PolarHBondContact O-N 3.38Å; G95-Q99 VanDerWaalsContact O-N 3.09Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 2.86Å; Q99-V101 VanDerWaalsContact C-N 3.35Å; Q99-I102 PolarHBondContact O-N 2.89Å; Q99-H103 WeakPolarHBondContact O-CB 3.38Å; Q99-H103 PolarHBondContact O-N 2.82Å; Q99-E201 PolarHBondContact NE2-O 3.28Å
100	A	97.8	Very high	98.1	Very high	47 Å²	47	57.5 Å²	57.5	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-37.1	174.2	0	0	0	0	0	112.6	P96 E97 V98 S104	P96-A100 VanDerWaalsContact O-CB 3.24Å; P96-A100 WeakPolarHBondContact O-CB 3.33Å; P96-A100 PolarHBondContact O-N 3.47Å; E97-A100 PolarHBondContact O-N 3.01Å; V98-A100 VanDerWaalsContact C-N 3.32Å; V98-A100 PolarHBondContact O-N 3.18Å; A100-S104 WeakPolarHBondContact O-CB 3.47Å; A100-S104 PolarHBondContact O-N 2.95Å; A100-S104 PolarHBondContact O-OG 3.42Å
101	V	98.4	Very high	98	Very high	11 Å²	11	60.4 Å²	60.4	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-51.8	173	175.7	0	0	0	0	110.3	P69 E97 V98 Q99 H103 S104 M105 A119 V124 I128	P69-V101 HydrophobicContact CG-CG2 4.44Å; E97-V101 WeakPolarHBondContact O-CG2 3.35Å; E97-V101 PolarHBondContact O-N 3.07Å; E97-V101 VanDerWaalsContact O-N 3.09Å; V98-V101 WeakPolarHBondContact O-CB 3.36Å; V98-V101 PolarHBondContact O-N 2.87Å; Q99-V101 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 2.93Å; V101-S104 PolarHBondContact O-N 3.18Å; V101-S104 VanDerWaalsContact O-N 3.14Å; V101-M105 HydrophobicContact CG1-CG 4.32Å; V101-M105 HydrophobicContact CG1-SD 3.9Å; V101-M105 WeakPolarHBondContact O-CG 3.24Å; V101-M105 PolarHBondContact O-N 3.24Å; V101-A119 HydrophobicContact CG1-CB 4.23Å; V101-V124 HydrophobicContact CG1-CB 4.25Å; V101-V124 HydrophobicContact CG1-CG1 4.08Å; V101-V124 HydrophobicContact CG1-CG2 4.18Å; V101-V124 HydrophobicContact CG2-CG1 4.05Å; V101-V124 HydrophobicContact CG2-CG2 4.05Å; V101-I128 HydrophobicContact CG1-CD1 4.1Å
102	I	98.6	Very high	97.9	Very high	11 Å²	11	60.7 Å²	60.7	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-55.9	-50.2	178.6	-69.3	167.7	0	0	0	110.9	V98 Q99 S104 M105 V106 I128 I158 I160 E201	V98-I102 HydrophobicContact CG1-CD1 3.93Å; V98-I102 HydrophobicContact CG1-CG1 4.46Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 2.98Å; Q99-I102 PolarHBondContact O-N 2.89Å; I102-S104 VanDerWaalsContact C-N 3.3Å; I102-S104 PolarHBondContact O-N 3Å; I102-M105 PolarHBondContact O-N 2.96Å; I102-V106 WeakPolarHBondContact O-CG2 3.41Å; I102-V106 PolarHBondContact O-N 2.79Å; I102-I128 HydrophobicContact CG1-CG2 4.14Å; I102-I158 HydrophobicContact CD1-CG2 4.28Å; I102-I158 HydrophobicContact CG1-CG2 4.33Å; I102-I158 HydrophobicContact CG2-CD1 3.45Å; I102-I158 VanDerWaalsContact CG2-CD1 3.45Å; I102-I158 HydrophobicContact CG2-CG1 4.24Å; I102-I158 HydrophobicContact CG2-CG2 4.5Å; I102-I160 HydrophobicContact CD1-CD1 3.99Å; I102-E201 HydrophobicContact CD1-CB 4.12Å
103	H	98.3	Very high	97.8	Very high	127 Å²	127	64.3 Å²	64.3	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-59.8	-41.7	178.8	174.5	-100.9	0	0	0	112	Q99 V101 K107	Q99-H103 WeakPolarHBondContact O-CB 3.38Å; Q99-H103 PolarHBondContact O-N 2.82Å; V101-H103 PolarHBondContact O-N 2.93Å; H103-K107 WeakPolarHBondContact O-CB 3.33Å; H103-K107 PolarHBondContact O-N 3.16Å
104	S	98	Very high	97.7	Very high	29 Å²	29	65.2 Å²	65.2	20%	0.203	33%	0.325	C	S	.	.	H	α-helix	trans	-66.5	-42.3	178	-59	0	0	0	0	111.6	P69 A100 V101 I102 K107 V108	P69-S104 WeakPolarHBondContact CG-OG 3.46Å; A100-S104 WeakPolarHBondContact O-CB 3.47Å; A100-S104 PolarHBondContact O-N 2.95Å; A100-S104 PolarHBondContact O-OG 3.42Å; V101-S104 PolarHBondContact O-N 3.18Å; V101-S104 VanDerWaalsContact O-N 3.14Å; I102-S104 VanDerWaalsContact C-N 3.3Å; I102-S104 PolarHBondContact O-N 3Å; S104-K107 PolarHBondContact O-N 3.09Å; S104-V108 WeakPolarHBondContact O-CB 3.44Å; S104-V108 VanDerWaalsContact O-CG2 3.31Å; S104-V108 WeakPolarHBondContact O-CG2 3.43Å; S104-V108 PolarHBondContact O-N 2.72Å
105	M	98.4	Very high	97.7	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-50.9	175.3	-72.3	173.6	61.8	0	0	111.6	V101 I102 K107 V108 M109 L117 S118 A119 V122 I128 A130	V101-M105 HydrophobicContact CG1-CG 4.32Å; V101-M105 HydrophobicContact CG1-SD 3.9Å; V101-M105 WeakPolarHBondContact O-CG 3.24Å; V101-M105 PolarHBondContact O-N 3.24Å; I102-M105 PolarHBondContact O-N 2.96Å; M105-K107 VanDerWaalsContact C-N 3.28Å; M105-K107 PolarHBondContact O-N 2.95Å; M105-V108 PolarHBondContact O-N 2.84Å; M105-M109 VanDerWaalsContact O-CB 3.3Å; M105-M109 WeakPolarHBondContact O-CB 3.4Å; M105-M109 PolarHBondContact O-N 3.11Å; M105-L117 HydrophobicContact CB-CD2 4.3Å; M105-L117 WeakPolarHBondContact CE-O 3.4Å; M105-L117 WeakPolarHBondContact O-CD2 3.44Å; M105-S118 VanDerWaalsContact CE-C 3.47Å; M105-A119 HydrophobicContact CE-CB 4.44Å; M105-A119 VanDerWaalsContact CE-N 3.35Å; M105-A119 HydrophobicContact SD-CB 3.75Å; M105-V122 HydrophobicContact CG-CG2 3.72Å; M105-I128 HydrophobicContact CE-CG2 4.18Å; M105-I128 HydrophobicContact SD-CB 4.22Å; M105-I128 HydrophobicContact SD-CG2 3.88Å; M105-A130 HydrophobicContact CE-CB 4.26Å
106	V	98.5	Very high	97.7	Very high	17 Å²	17	59.5 Å²	59.5	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-40.7	179.5	173.6	0	0	0	0	111.1	I102 R110 L156	I102-V106 WeakPolarHBondContact O-CG2 3.41Å; I102-V106 PolarHBondContact O-N 2.79Å; V106-R110 WeakPolarHBondContact O-CB 3.41Å; V106-R110 WeakPolarHBondContact O-CG 3.31Å; V106-R110 PolarHBondContact O-N 3.47Å; V106-L156 HydrophobicContact CG1-CD2 4.03Å; V106-L156 HydrophobicContact CG2-CD1 4.05Å; V106-L156 HydrophobicContact CG2-CD2 3.99Å
107	K	98.3	Very high	97.7	Very high	140 Å²	140	54.1 Å²	54.1	61%	0.609	26%	0.262	S	S	*	.	H	α-helix	trans	-63.6	-43.7	176.5	-177	178.7	-179.9	177.8	0	112.2	H103 S104 M105 K111	H103-K107 WeakPolarHBondContact O-CB 3.33Å; H103-K107 PolarHBondContact O-N 3.16Å; S104-K107 PolarHBondContact O-N 3.09Å; M105-K107 VanDerWaalsContact C-N 3.28Å; M105-K107 PolarHBondContact O-N 2.95Å; K107-K111 WeakPolarHBondContact O-CB 3.37Å; K107-K111 PolarHBondContact O-N 3.01Å
108	V	98.2	Very high	97.8	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-49.5	177.4	170.4	0	0	0	0	110	V73 S104 M105 R110 K111 F112 L117 V122	V73-V108 HydrophobicContact CG2-CG1 3.61Å; S104-V108 WeakPolarHBondContact O-CB 3.44Å; S104-V108 VanDerWaalsContact O-CG2 3.31Å; S104-V108 WeakPolarHBondContact O-CG2 3.43Å; S104-V108 PolarHBondContact O-N 2.72Å; M105-V108 PolarHBondContact O-N 2.84Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 2.9Å; V108-K111 WeakPolarHBondContact O-CB 3.36Å; V108-K111 PolarHBondContact O-N 2.78Å; V108-F112 HydrophobicContact CG1-CD2 3.74Å; V108-F112 HydrophobicContact CG1-CE2 3.95Å; V108-F112 WeakPolarHBondContact O-CD2 3.42Å; V108-F112 PolarHBondContact O-N 2.73Å; V108-L117 HydrophobicContact CB-CD2 3.88Å; V108-L117 HydrophobicContact CG1-CD2 3.7Å; V108-V122 HydrophobicContact CB-CG1 4.31Å; V108-V122 HydrophobicContact CG1-CG1 4.24Å; V108-V122 HydrophobicContact CG2-CG1 4.22Å
109	M	98.1	Very high	97.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-52.7	-50.7	179.4	-175.6	-178.8	73.7	0	0	111.7	M105 K111 F112 E113 C114 L117 A130 E132 L156	M105-M109 VanDerWaalsContact O-CB 3.3Å; M105-M109 WeakPolarHBondContact O-CB 3.4Å; M105-M109 PolarHBondContact O-N 3.11Å; M109-K111 PolarHBondContact O-N 2.9Å; M109-F112 PolarHBondContact O-N 3.42Å; M109-E113 PolarHBondContact O-N 3.47Å; M109-C114 WeakPolarHBondContact CG-O 3.35Å; M109-C114 PolarHBondContact O-N 2.84Å; M109-C114 VanDerWaalsContact O-N 3.15Å; M109-L117 HydrophobicContact CB-CB 4.03Å; M109-L117 HydrophobicContact CB-CD2 4.22Å; M109-L117 HydrophobicContact CG-CB 4.22Å; M109-L117 HydrophobicContact SD-CB 4.47Å; M109-A130 HydrophobicContact SD-CB 4.26Å; M109-E132 HydrophobicContact CE-CB 3.57Å; M109-L156 HydrophobicContact CE-CD1 3.73Å
110	R	97.7	Very high	97.9	Very high	126 Å²	126	42.8 Å²	42.8	48%	0.475	21%	0.208	S	C	.	.	H	α-helix	trans	-68.9	-32.1	178.1	-70	174.5	173.4	172.1	-5.1	113.6	V106 V108 E113 E132	V106-R110 WeakPolarHBondContact O-CB 3.41Å; V106-R110 WeakPolarHBondContact O-CG 3.31Å; V106-R110 PolarHBondContact O-N 3.47Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 2.9Å; R110-E113 PolarHBondContact O-N 2.9Å; R110-E132 IonicContact CZ-OE1 3.69Å; R110-E132 IonicContact CZ-OE2 3.46Å; R110-E132 IonicContact NE-OE1 3.72Å; R110-E132 IonicContact NE-OE2 2.8Å; R110-E132 PolarHBondContact NE-OE2 3.2Å; R110-E132 IonicContact NH2-OE1 2.8Å; R110-E132 PolarHBondContact NH2-OE1 3Å; R110-E132 IonicContact NH2-OE2 3.26Å; R110-E132 PolarHBondContact NH2-OE2 2.92Å
111	K	97.2	Very high	97.9	Very high	137 Å²	137	40.7 Å²	40.7	60%	0.596	19%	0.191	S	C	*	.	H	α-helix	trans	-67	-38.9	176.9	173.6	-173.2	168.3	-166.5	0	112	P71 K107 V108 M109 E113	P71-K111 PolarHBondContact O-NZ 3.2Å; K107-K111 WeakPolarHBondContact O-CB 3.37Å; K107-K111 PolarHBondContact O-N 3.01Å; V108-K111 WeakPolarHBondContact O-CB 3.36Å; V108-K111 PolarHBondContact O-N 2.78Å; M109-K111 PolarHBondContact O-N 2.9Å; K111-E113 VanDerWaalsContact C-N 3.33Å
112	F	95.8	Very high	97.9	Very high	73 Å²	73	40.2 Å²	40.2	32%	0.32	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.3	178.2	-72.8	-85.8	0	0	0	112.7	V73 V108 M109 C114	V73-F112 HydrophobicContact CG2-CD2 4.06Å; V73-F112 HydrophobicContact CG2-CE2 4.06Å; V108-F112 HydrophobicContact CG1-CD2 3.74Å; V108-F112 HydrophobicContact CG1-CE2 3.95Å; V108-F112 WeakPolarHBondContact O-CD2 3.42Å; V108-F112 PolarHBondContact O-N 2.73Å; M109-F112 PolarHBondContact O-N 3.42Å; F112-C114 PolarHBondContact O-N 3.27Å; F112-C114 VanDerWaalsContact O-N 3.1Å
113	E	94.9	Very high	97.9	Very high	116 Å²	116	40.1 Å²	40.1	54%	0.542	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	27.3	-177.8	-52.5	-164.9	104.4	0	0	113.8	M109 R110 K111 R136	M109-E113 PolarHBondContact O-N 3.47Å; R110-E113 PolarHBondContact O-N 2.9Å; K111-E113 VanDerWaalsContact C-N 3.33Å; E113-R136 IonicContact OE1-CZ 3.22Å; E113-R136 VanDerWaalsContact OE1-CZ 3.22Å; E113-R136 IonicContact OE1-NH1 2.71Å; E113-R136 PolarHBondContact OE1-NH1 2.92Å; E113-R136 IonicContact OE1-NH2 2.79Å; E113-R136 PolarHBondContact OE1-NH2 2.84Å
114	C	96.1	Very high	97.9	Very high	18 Å²	18	34.7 Å²	34.7	12%	0.122	17%	0.165	C	C	.	.			trans	-82.6	153.6	174.9	69.7	0	0	0	0	110.7	M109 F112 G116 E179	M109-C114 WeakPolarHBondContact CG-O 3.35Å; M109-C114 PolarHBondContact O-N 2.84Å; M109-C114 VanDerWaalsContact O-N 3.15Å; F112-C114 PolarHBondContact O-N 3.27Å; F112-C114 VanDerWaalsContact O-N 3.1Å; C114-G116 PolarHBondContact SG-O 3.45Å; C114-E179 HydrophobicContact CB-CG 3.71Å
115	V	97.6	Very high	97.9	Very high	34 Å²	34	36.6 Å²	36.6	21%	0.206	18%	0.177	C	C	.	.	S	Bend	trans	-92.1	-8.3	-172.2	-63.4	0	0	0	0	113.6	L131 E132 F133 M137 I217	V115-L131 WeakPolarHBondContact O-CA 3.18Å; V115-E132 WeakPolarHBondContact CA-O 3.5Å; V115-E132 PolarHBondContact O-N 2.93Å; V115-F133 HydrophobicContact CB-CD2 4.14Å; V115-F133 HydrophobicContact CG1-CD2 3.54Å; V115-F133 HydrophobicContact CG1-CE2 3.87Å; V115-M137 HydrophobicContact CG1-CE 4.18Å; V115-M137 HydrophobicContact CG1-SD 3.57Å; V115-M137 VanDerWaalsContact CG1-SD 3.57Å; V115-I217 HydrophobicContact CB-CD1 3.81Å; V115-I217 HydrophobicContact CG2-CD1 3.52Å; V115-I217 HydrophobicContact CG2-CG1 3.72Å; V115-I217 HydrophobicContact CG2-CG2 4.42Å
116	G	98.3	Very high	97.9	Very high	6 Å²	6	38.7 Å²	38.7	6%	0.062	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	150.3	178.7	0	0	0	0	0	110.2	C114 A130 E221	C114-G116 PolarHBondContact SG-O 3.45Å; G116-A130 CarbonylContact C-O 3.58Å; G116-A130 VanDerWaalsContact CA-O 3.31Å; G116-A130 WeakPolarHBondContact CA-O 3.46Å; G116-E221 VanDerWaalsContact C-CD 3.47Å; G116-E221 VanDerWaalsContact C-OE1 3.26Å; G116-E221 WeakPolarHBondContact CA-OE1 3.22Å
117	L	98.7	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	141.7	172	-161.5	74.9	0	0	0	110.6	V73 M105 V108 M109 Q121 V122 L129 A130 E221	V73-L117 HydrophobicContact CG2-CD1 4.33Å; M105-L117 HydrophobicContact CB-CD2 4.3Å; M105-L117 WeakPolarHBondContact CE-O 3.4Å; M105-L117 WeakPolarHBondContact O-CD2 3.44Å; V108-L117 HydrophobicContact CB-CD2 3.88Å; V108-L117 HydrophobicContact CG1-CD2 3.7Å; M109-L117 HydrophobicContact CB-CB 4.03Å; M109-L117 HydrophobicContact CB-CD2 4.22Å; M109-L117 HydrophobicContact CG-CB 4.22Å; M109-L117 HydrophobicContact SD-CB 4.47Å; L117-Q121 HydrophobicContact CD1-CB 4.07Å; L117-Q121 HydrophobicContact CG-CB 4.47Å; L117-V122 HydrophobicContact CD2-CG1 3.96Å; L117-L129 WeakPolarHBondContact O-CA 3.33Å; L117-A130 PolarHBondContact N-O 2.81Å; L117-A130 PolarHBondContact O-N 2.82Å; L117-E221 WeakPolarHBondContact CA-OE2 3.16Å; L117-E221 PolarHBondContact N-OE2 3.02Å
118	S	98.8	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	153.5	176	67.2	0	0	0	0	112.5	M105 P120 Q121 E221 H224	M105-S118 VanDerWaalsContact CE-C 3.47Å; S118-P120 VanDerWaalsContact C-CD 3.48Å; S118-P120 VanDerWaalsContact C-N 3.35Å; S118-Q121 WeakPolarHBondContact O-CB 3.47Å; S118-Q121 PolarHBondContact O-N 2.93Å; S118-Q121 VanDerWaalsContact O-N 3.09Å; S118-Q121 WeakPolarHBondContact OG-CG 3.49Å; S118-Q121 PolarHBondContact OG-OE1 3.18Å; S118-E221 PolarHBondContact N-OE2 3.37Å; S118-E221 VanDerWaalsContact N-OE2 3.16Å; S118-H224 WeakPolarHBondContact OG-CB 3.2Å
119	A	98.8	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-56	-39.7	178.7	0	0	0	0	0	113.8	V101 M105 Q121 V122 G123 V124 L126 I128	V101-A119 HydrophobicContact CG1-CB 4.23Å; M105-A119 HydrophobicContact CE-CB 4.44Å; M105-A119 VanDerWaalsContact CE-N 3.35Å; M105-A119 HydrophobicContact SD-CB 3.75Å; A119-Q121 PolarHBondContact O-N 3.04Å; A119-V122 WeakPolarHBondContact O-CG2 3.4Å; A119-V122 PolarHBondContact O-N 3.35Å; A119-G123 PolarHBondContact O-N 2.84Å; A119-V124 CarbonylContact C-O 3.55Å; A119-V124 HydrophobicContact CB-CB 4.14Å; A119-V124 HydrophobicContact CB-CG1 4.37Å; A119-V124 WeakPolarHBondContact CB-O 3.42Å; A119-V124 PolarHBondContact O-N 2.89Å; A119-V124 VanDerWaalsContact O-O 3.1Å; A119-L126 VanDerWaalsContact CB-O 3.3Å; A119-L126 WeakPolarHBondContact CB-O 3.5Å; A119-I128 HydrophobicContact CB-CB 3.92Å; A119-I128 PolarHBondContact N-O 3.09Å
120	P	98.8	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-55.5	-33.5	175.2	-31.1	38.4	0	0	0	113.6	V80 A85 S118 V122 G123 V124 L225	V80-P120 WeakPolarHBondContact CG1-O 3.31Å; V80-P120 HydrophobicContact CG2-CB 4.28Å; A85-P120 HydrophobicContact CB-CG 4.07Å; S118-P120 VanDerWaalsContact C-CD 3.48Å; S118-P120 VanDerWaalsContact C-N 3.35Å; P120-V122 PolarHBondContact O-N 3.24Å; P120-G123 PolarHBondContact O-N 3.05Å; P120-V124 VanDerWaalsContact CA-O 3.28Å; P120-V124 WeakPolarHBondContact CA-O 3.46Å; P120-L225 HydrophobicContact CG-CD2 4.2Å
121	Q	98.7	Very high	98	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.014	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-70.7	-14.7	179.2	-65.5	177.9	-77.8	0	0	114.1	V73 C74 L81 L117 S118 A119 S180 E221	V73-Q121 CarbonylContact C-O 3.58Å; V73-Q121 WeakPolarHBondContact CA-O 3.49Å; V73-Q121 HydrophobicContact CG1-CB 4.19Å; C74-Q121 PolarHBondContact N-O 3.4Å; L81-Q121 HydrophobicContact CD2-CB 4.46Å; L81-Q121 HydrophobicContact CD2-CG 3.91Å; L117-Q121 HydrophobicContact CD1-CB 4.07Å; L117-Q121 HydrophobicContact CG-CB 4.47Å; S118-Q121 WeakPolarHBondContact O-CB 3.47Å; S118-Q121 PolarHBondContact O-N 2.93Å; S118-Q121 VanDerWaalsContact O-N 3.09Å; S118-Q121 WeakPolarHBondContact OG-CG 3.49Å; S118-Q121 PolarHBondContact OG-OE1 3.18Å; A119-Q121 PolarHBondContact O-N 3.04Å; Q121-S180 WeakPolarHBondContact CG-OG 3.35Å; Q121-S180 PolarHBondContact NE2-OG 2.87Å; Q121-S180 VanDerWaalsContact NE2-OG 3.16Å; Q121-E221 PolarHBondContact OE1-OE2 3.23Å
122	V	98.5	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-106.9	20.5	169.3	-62.6	0	0	0	0	111.8	P69 Y70 M105 V108 L117 A119 P120 V124	P69-V122 WeakPolarHBondContact CA-O 3.32Å; P69-V122 HydrophobicContact CB-CB 4.47Å; P69-V122 HydrophobicContact CB-CG2 4.17Å; Y70-V122 WeakPolarHBondContact CD2-O 3.43Å; Y70-V122 PolarHBondContact N-O 3.17Å; M105-V122 HydrophobicContact CG-CG2 3.72Å; V108-V122 HydrophobicContact CB-CG1 4.31Å; V108-V122 HydrophobicContact CG1-CG1 4.24Å; V108-V122 HydrophobicContact CG2-CG1 4.22Å; L117-V122 HydrophobicContact CD2-CG1 3.96Å; A119-V122 WeakPolarHBondContact O-CG2 3.4Å; A119-V122 PolarHBondContact O-N 3.35Å; P120-V122 PolarHBondContact O-N 3.24Å; V122-V124 HydrophobicContact CG2-CG2 4.26Å
123	G	98.1	Very high	98.2	Very high	10 Å²	10	18.9 Å²	18.9	10%	0.103	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	11.9	175.8	0	0	0	0	0	114.8	P68 C74 A119 P120	P68-G123 WeakPolarHBondContact CB-O 3.5Å; C74-G123 PolarHBondContact SG-N 3.01Å; A119-G123 PolarHBondContact O-N 2.84Å; P120-G123 PolarHBondContact O-N 3.05Å
124	V	98.6	Very high	98.2	Very high	13 Å²	13	15 Å²	15	8%	0.079	9%	0.088	C	C	.	.			trans	-107.7	113.8	-177.6	-178.9	0	0	0	0	109.8	P68 P69 V101 A119 P120 V122 L126	P68-V124 HydrophobicContact CB-CG2 3.93Å; P69-V124 HydrophobicContact CB-CG2 3.88Å; V101-V124 HydrophobicContact CG1-CB 4.25Å; V101-V124 HydrophobicContact CG1-CG1 4.08Å; V101-V124 HydrophobicContact CG1-CG2 4.18Å; V101-V124 HydrophobicContact CG2-CG1 4.05Å; V101-V124 HydrophobicContact CG2-CG2 4.05Å; A119-V124 CarbonylContact C-O 3.55Å; A119-V124 HydrophobicContact CB-CB 4.14Å; A119-V124 HydrophobicContact CB-CG1 4.37Å; A119-V124 WeakPolarHBondContact CB-O 3.42Å; A119-V124 PolarHBondContact O-N 2.89Å; A119-V124 VanDerWaalsContact O-O 3.1Å; P120-V124 VanDerWaalsContact CA-O 3.28Å; P120-V124 WeakPolarHBondContact CA-O 3.46Å; V122-V124 HydrophobicContact CG2-CG2 4.26Å; V124-L126 HydrophobicContact CG1-CB 3.96Å; V124-L126 HydrophobicContact CG1-CD1 3.75Å; V124-L126 HydrophobicContact CG1-CG 3.71Å; V124-L126 PolarHBondContact O-N 2.83Å
125	P	98.3	Very high	98.2	Very high	69 Å²	69	18.7 Å²	18.7	45%	0.448	10%	0.104	S	C	.	.			trans	-81.1	49.8	-176.2	35.1	-37.4	0	0	0	112.4	V80 A86	V80-P125 HydrophobicContact CG2-CB 4.35Å; A86-P125 PolarHBondContact N-O 3.02Å
126	L	98.8	Very high	98.1	Very high	45 Å²	45	22.4 Å²	22.4	24%	0.236	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-115.3	148.5	179.2	-65.9	178.5	0	0	0	111.5	A86 V88 A119 V124 I128	A86-L126 HydrophobicContact CB-CD2 4.4Å; A86-L126 CarbonylContact O-C 3.54Å; A86-L126 WeakPolarHBondContact O-CA 3.48Å; V88-L126 HydrophobicContact CG2-CB 3.97Å; V88-L126 HydrophobicContact CG2-CD1 4.26Å; V88-L126 HydrophobicContact CG2-CD2 4.28Å; V88-L126 HydrophobicContact CG2-CG 4.4Å; A119-L126 VanDerWaalsContact CB-O 3.3Å; A119-L126 WeakPolarHBondContact CB-O 3.5Å; V124-L126 HydrophobicContact CG1-CB 3.96Å; V124-L126 HydrophobicContact CG1-CD1 3.75Å; V124-L126 HydrophobicContact CG1-CG 3.71Å; V124-L126 PolarHBondContact O-N 2.83Å; L126-I128 HydrophobicContact CB-CD1 4.17Å; L126-I128 HydrophobicContact CB-CG1 4.2Å; L126-I128 HydrophobicContact CD1-CD1 4.38Å; L126-I128 PolarHBondContact O-N 2.87Å
127	R	98.8	Very high	97.9	Very high	33 Å²	33	23.7 Å²	23.7	13%	0.125	12%	0.119	C	C	.	.	S	Bend	trans	-76.5	71.3	178.3	-66.8	-170.9	78.7	82.2	-2	112.1	A85 A86 I160 N161 L225 D226	A85-R127 HydrophobicContact CB-CG 3.86Å; A85-R127 VanDerWaalsContact O-CG 3.3Å; A85-R127 WeakPolarHBondContact O-CG 3.38Å; A86-R127 WeakPolarHBondContact O-CG 3.18Å; A86-R127 PolarHBondContact O-N 2.8Å; R127-I160 WeakPolarHBondContact O-CA 3.42Å; R127-N161 PolarHBondContact O-N 3.38Å; R127-L225 HydrophobicContact CB-CD1 4.13Å; R127-L225 HydrophobicContact CG-CD1 4.5Å; R127-L225 PolarHBondContact NH1-O 3.18Å; R127-L225 VanDerWaalsContact NH1-O 3.13Å; R127-D226 IonicContact CZ-OD1 3.44Å; R127-D226 IonicContact NH1-OD1 3.42Å; R127-D226 PolarHBondContact NH1-OD1 3.26Å; R127-D226 IonicContact NH2-OD1 3.49Å; R127-D226 IonicContact NH2-OD2 3.62Å
128	I	98.9	Very high	97.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.5	177.2	-51	173.4	0	0	0	108	V88 V98 V101 I102 M105 A119 L126 I158 F159 I160	V88-I128 HydrophobicContact CG2-CD1 4.03Å; V88-I128 HydrophobicContact CG2-CG1 3.83Å; V98-I128 HydrophobicContact CG1-CD1 4.01Å; V101-I128 HydrophobicContact CG1-CD1 4.1Å; I102-I128 HydrophobicContact CG1-CG2 4.14Å; M105-I128 HydrophobicContact CE-CG2 4.18Å; M105-I128 HydrophobicContact SD-CB 4.22Å; M105-I128 HydrophobicContact SD-CG2 3.88Å; A119-I128 HydrophobicContact CB-CB 3.92Å; A119-I128 PolarHBondContact N-O 3.09Å; L126-I128 HydrophobicContact CB-CD1 4.17Å; L126-I128 HydrophobicContact CB-CG1 4.2Å; L126-I128 HydrophobicContact CD1-CD1 4.38Å; L126-I128 PolarHBondContact O-N 2.87Å; I128-I158 HydrophobicContact CG2-CG2 4.32Å; I128-F159 WeakPolarHBondContact CA-O 3.29Å; I128-I160 HydrophobicContact CG1-CG1 4.33Å; I128-I160 HydrophobicContact CG1-CG2 4.38Å; I128-I160 HydrophobicContact CG2-CG1 4.23Å
129	L	98.7	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.1	170.6	62.9	82.4	0	0	0	110.8	L117 L131 I158 F159 P162 L218 E221 M222 L225	L117-L129 WeakPolarHBondContact O-CA 3.33Å; L129-L131 HydrophobicContact CD1-CD2 3.95Å; L129-I158 WeakPolarHBondContact O-CA 3.34Å; L129-F159 HydrophobicContact CD1-CB 3.84Å; L129-F159 HydrophobicContact CD1-CD2 3.79Å; L129-F159 HydrophobicContact CD1-CG 4.23Å; L129-F159 HydrophobicContact CG-CB 4.14Å; L129-F159 PolarHBondContact N-O 2.87Å; L129-F159 PolarHBondContact O-N 2.85Å; L129-P162 HydrophobicContact CD2-CB 4.3Å; L129-P162 HydrophobicContact CD2-CG 3.66Å; L129-P162 HydrophobicContact CG-CG 4.08Å; L129-L218 HydrophobicContact CD1-CD2 4.22Å; L129-E221 HydrophobicContact CB-CB 3.91Å; L129-E221 HydrophobicContact CD2-CB 3.89Å; L129-E221 HydrophobicContact CG-CB 4.35Å; L129-M222 HydrophobicContact CD2-CG 4.02Å; L129-M222 HydrophobicContact CD2-SD 3.68Å; L129-L225 HydrophobicContact CD2-CD1 4.04Å
130	A	98.7	Very high	97	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.2	174.4	0	0	0	0	0	109.4	M105 M109 G116 L117 R157 I158	M105-A130 HydrophobicContact CE-CB 4.26Å; M109-A130 HydrophobicContact SD-CB 4.26Å; G116-A130 CarbonylContact C-O 3.58Å; G116-A130 VanDerWaalsContact CA-O 3.31Å; G116-A130 WeakPolarHBondContact CA-O 3.46Å; L117-A130 PolarHBondContact N-O 2.81Å; L117-A130 PolarHBondContact O-N 2.82Å; A130-R157 WeakPolarHBondContact CA-O 3.44Å; A130-I158 HydrophobicContact CB-CG1 4.28Å
131	L	98.3	Very high	96.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	142.9	177.2	61.5	102.7	0	0	0	110.8	V115 L129 V154 L156 R157 F159 W208 I217 L218	V115-L131 WeakPolarHBondContact O-CA 3.18Å; L129-L131 HydrophobicContact CD1-CD2 3.95Å; L131-V154 HydrophobicContact CD1-CB 4.48Å; L131-V154 HydrophobicContact CD1-CG1 3.42Å; L131-V154 VanDerWaalsContact CD1-CG1 3.42Å; L131-L156 WeakPolarHBondContact O-CA 3.32Å; L131-R157 HydrophobicContact CD1-CB 4.06Å; L131-R157 HydrophobicContact CG-CB 4.1Å; L131-R157 PolarHBondContact N-O 2.99Å; L131-R157 PolarHBondContact O-N 3.05Å; L131-F159 HydrophobicContact CD2-CD2 4.21Å; L131-F159 HydrophobicContact CD2-CE2 4.12Å; L131-W208 HydrophobicContact CD1-CH2 3.79Å; L131-W208 HydrophobicContact CD1-CZ3 3.53Å; L131-W208 HydrophobicContact CD2-CZ3 4.1Å; L131-W208 HydrophobicContact CG-CZ3 4.46Å; L131-I217 HydrophobicContact CB-CG2 4.04Å; L131-L218 HydrophobicContact CD2-CD2 3.3Å; L131-L218 HydrophobicContact CD2-CG 3.93Å
132	E	98.3	Very high	96.4	Very high	34 Å²	34	44.5 Å²	44.5	16%	0.159	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	130.2	-179.1	-174.3	172.6	-142.8	0	0	108.9	M109 R110 V115 L156	M109-E132 HydrophobicContact CE-CB 3.57Å; R110-E132 IonicContact CZ-OE1 3.69Å; R110-E132 IonicContact CZ-OE2 3.46Å; R110-E132 IonicContact NE-OE1 3.72Å; R110-E132 IonicContact NE-OE2 2.8Å; R110-E132 PolarHBondContact NE-OE2 3.2Å; R110-E132 IonicContact NH2-OE1 2.8Å; R110-E132 PolarHBondContact NH2-OE1 3Å; R110-E132 IonicContact NH2-OE2 3.26Å; R110-E132 PolarHBondContact NH2-OE2 2.92Å; V115-E132 WeakPolarHBondContact CA-O 3.5Å; V115-E132 PolarHBondContact O-N 2.93Å; E132-L156 HydrophobicContact CB-CB 4.49Å; E132-L156 HydrophobicContact CB-CD1 4.26Å; E132-L156 HydrophobicContact CG-CB 4.34Å
133	F	97.3	Very high	96.2	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	89.1	173.9	-161.4	-84.8	0	0	0	108.7	V115 M137 L138 L151 T152 T153 V154 I217	V115-F133 HydrophobicContact CB-CD2 4.14Å; V115-F133 HydrophobicContact CG1-CD2 3.54Å; V115-F133 HydrophobicContact CG1-CE2 3.87Å; F133-M137 HydrophobicContact CD2-SD 4.46Å; F133-M137 HydrophobicContact CE1-CB 4.04Å; F133-M137 HydrophobicContact CE2-CB 4.33Å; F133-M137 HydrophobicContact CE2-SD 4.38Å; F133-M137 HydrophobicContact CZ-CB 3.9Å; F133-L138 HydrophobicContact CE1-CB 3.97Å; F133-L138 HydrophobicContact CE1-CD1 4.18Å; F133-L151 HydrophobicContact CE2-CD2 4.23Å; F133-L151 HydrophobicContact CZ-CD1 4.48Å; F133-L151 HydrophobicContact CZ-CD2 3.94Å; F133-T152 VanDerWaalsContact CD1-O 3.29Å; F133-T152 WeakPolarHBondContact CD1-O 3.35Å; F133-T153 CarbonylContact O-C 3.57Å; F133-T153 VanDerWaalsContact O-CA 3.29Å; F133-T153 WeakPolarHBondContact O-CA 3.35Å; F133-V154 CarbonylContact C-O 3.57Å; F133-V154 HydrophobicContact CB-CB 3.95Å; F133-V154 HydrophobicContact CB-CG2 4.15Å; F133-V154 PolarHBondContact N-O 3.37Å; F133-V154 PolarHBondContact O-N 2.95Å; F133-I217 HydrophobicContact CD2-CD1 4.44Å
134	P	96.2	Very high	96	Very high	34 Å²	34	52 Å²	52	22%	0.221	28%	0.281	C	S	.	.			trans	-74.7	156.8	-174.4	31.3	-34.3	0	0	0	112.1	R136 M137	P134-R136 VanDerWaalsContact C-N 3.25Å; P134-R136 HydrophobicContact CB-CG 4.22Å; P134-R136 HydrophobicContact CG-CG 3.93Å; P134-R136 PolarHBondContact O-N 3.07Å; P134-R136 VanDerWaalsContact O-N 3.17Å; P134-M137 HydrophobicContact CG-CE 3.58Å; P134-M137 HydrophobicContact CG-CG 3.98Å; P134-M137 HydrophobicContact CG-SD 4.25Å; P134-M137 PolarHBondContact O-N 3.16Å
135	E	95.3	Very high	95.6	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-51	-42	-179.2	-167.3	66.6	-135.7	0	0	113	M137 L138 E139 T153	E135-M137 VanDerWaalsContact C-N 3.26Å; E135-M137 PolarHBondContact O-N 3.11Å; E135-M137 VanDerWaalsContact O-N 3.16Å; E135-L138 WeakPolarHBondContact O-CA 3.06Å; E135-L138 VanDerWaalsContact O-CB 3.28Å; E135-L138 WeakPolarHBondContact O-CB 3.36Å; E135-L138 PolarHBondContact O-N 2.91Å; E135-E139 HydrophobicContact CG-CG 4.31Å; E135-E139 PolarHBondContact O-N 3.44Å; E135-T153 HydrophobicContact CB-CG2 4.09Å; E135-T153 WeakPolarHBondContact OE2-CG2 3.4Å
136	R	94.9	Very high	95.4	Very high	113 Å²	113	53.2 Å²	53.2	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-51.2	-42.2	177.4	70.9	-174.4	-172.7	111.3	-2.9	113.5	E113 P134 L138 E139 D140	E113-R136 IonicContact OE1-CZ 3.22Å; E113-R136 VanDerWaalsContact OE1-CZ 3.22Å; E113-R136 IonicContact OE1-NH1 2.71Å; E113-R136 PolarHBondContact OE1-NH1 2.92Å; E113-R136 IonicContact OE1-NH2 2.79Å; E113-R136 PolarHBondContact OE1-NH2 2.84Å; P134-R136 VanDerWaalsContact C-N 3.25Å; P134-R136 HydrophobicContact CB-CG 4.22Å; P134-R136 HydrophobicContact CG-CG 3.93Å; P134-R136 PolarHBondContact O-N 3.07Å; P134-R136 VanDerWaalsContact O-N 3.17Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 3.45Å; R136-E139 PolarHBondContact O-N 2.81Å; R136-D140 VanDerWaalsContact O-CG 3.22Å; R136-D140 PolarHBondContact O-N 2.92Å
137	M	93.7	Very high	95.2	Very high	32 Å²	32	59.1 Å²	59.1	16%	0.158	31%	0.308	C	S	.	.	H	α-helix	trans	-73.1	-29.7	-179.9	-68	-172.9	-147.1	0	0	111.8	V115 F133 P134 E135 S141	V115-M137 HydrophobicContact CG1-CE 4.18Å; V115-M137 HydrophobicContact CG1-SD 3.57Å; V115-M137 VanDerWaalsContact CG1-SD 3.57Å; F133-M137 HydrophobicContact CD2-SD 4.46Å; F133-M137 HydrophobicContact CE1-CB 4.04Å; F133-M137 HydrophobicContact CE2-CB 4.33Å; F133-M137 HydrophobicContact CE2-SD 4.38Å; F133-M137 HydrophobicContact CZ-CB 3.9Å; P134-M137 HydrophobicContact CG-CE 3.58Å; P134-M137 HydrophobicContact CG-CG 3.98Å; P134-M137 HydrophobicContact CG-SD 4.25Å; P134-M137 PolarHBondContact O-N 3.16Å; E135-M137 VanDerWaalsContact C-N 3.26Å; E135-M137 PolarHBondContact O-N 3.11Å; E135-M137 VanDerWaalsContact O-N 3.16Å; M137-S141 PolarHBondContact O-N 3.12Å; M137-S141 PolarHBondContact O-OG 3.47Å
138	L	93.4	Very high	94.9	Very high	22 Å²	22	60.7 Å²	60.7	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-67.2	-47	172.8	-170.4	66	0	0	0	109.6	F133 E135 R136 D140 S141 R146 L151 T153	F133-L138 HydrophobicContact CE1-CB 3.97Å; F133-L138 HydrophobicContact CE1-CD1 4.18Å; E135-L138 WeakPolarHBondContact O-CA 3.06Å; E135-L138 VanDerWaalsContact O-CB 3.28Å; E135-L138 WeakPolarHBondContact O-CB 3.36Å; E135-L138 PolarHBondContact O-N 2.91Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 3.45Å; L138-D140 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 2.8Å; L138-S141 WeakPolarHBondContact O-CB 3.37Å; L138-S141 PolarHBondContact O-N 3.44Å; L138-S141 VanDerWaalsContact O-N 3.07Å; L138-R146 HydrophobicContact CD1-CG 3.98Å; L138-R146 PolarHBondContact O-NE 2.68Å; L138-R146 PolarHBondContact O-NH2 2.84Å; L138-L151 HydrophobicContact CD1-CB 3.51Å; L138-T153 HydrophobicContact CB-CG2 4.23Å; L138-T153 HydrophobicContact CD2-CG2 3.94Å
139	E	93.1	Very high	94.7	Very high	121 Å²	121	65 Å²	65	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-60	-38.4	178.1	-69.7	176.8	164.9	0	0	113	E135 R136 S141 R146	E135-E139 HydrophobicContact CG-CG 4.31Å; E135-E139 PolarHBondContact O-N 3.44Å; R136-E139 PolarHBondContact O-N 2.81Å; E139-S141 PolarHBondContact O-N 3.43Å; E139-R146 VanDerWaalsContact C-NH2 3.34Å; E139-R146 PolarHBondContact O-NH2 3.42Å
140	D	92.6	Very high	94.6	Very high	135 Å²	135	66.4 Å²	66.4	72%	0.722	36%	0.358	S	S	*	.	H	α-helix	trans	-69.8	-18.4	176.2	-68.3	-26.7	0	0	0	113.4	R136 L138	R136-D140 VanDerWaalsContact O-CG 3.22Å; R136-D140 PolarHBondContact O-N 2.92Å; L138-D140 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 2.8Å
141	S	91.9	Very high	94.4	Very high	31 Å²	31	67 Å²	67	22%	0.217	36%	0.361	C	S	.	.	S	Bend	trans	-82.3	140.3	-178.6	-63	0	0	0	0	111.8	M137 L138 E139 R146 L151	M137-S141 PolarHBondContact O-N 3.12Å; M137-S141 PolarHBondContact O-OG 3.47Å; L138-S141 WeakPolarHBondContact O-CB 3.37Å; L138-S141 PolarHBondContact O-N 3.44Å; L138-S141 VanDerWaalsContact O-N 3.07Å; E139-S141 PolarHBondContact O-N 3.43Å; S141-R146 PolarHBondContact O-NE 3.5Å; S141-R146 PolarHBondContact O-NH2 3.34Å; S141-L151 WeakPolarHBondContact OG-CD1 3.49Å
142	L	93.2	Very high	94.3	Very high	131 Å²	131	70.5 Å²	70.5	69%	0.686	38%	0.383	S	S	*	.			trans	-63.1	141.6	175	-65	175	0	0	0	111.6	A144 A145 R146	L142-A144 VanDerWaalsContact C-N 3.32Å; L142-A144 PolarHBondContact O-N 3.3Å; L142-A145 HydrophobicContact CB-CB 4.27Å; L142-A145 WeakPolarHBondContact O-CA 3.36Å; L142-A145 WeakPolarHBondContact O-CB 3.41Å; L142-A145 PolarHBondContact O-N 2.96Å; L142-R146 WeakPolarHBondContact O-CG 3.31Å; L142-R146 PolarHBondContact O-N 3.09Å
143	P	93.3	Very high	94.2	Very high	97 Å²	97	71.9 Å²	71.9	63%	0.63	39%	0.394	S	S	*	.	H	α-helix	trans	-52.4	-44.7	-178.9	-29.5	35.6	0	0	0	114.2	A145 R146 E147	P143-A145 VanDerWaalsContact C-N 3.28Å; P143-A145 PolarHBondContact O-N 3.36Å; P143-R146 WeakPolarHBondContact O-CB 3.49Å; P143-R146 PolarHBondContact O-N 2.86Å; P143-R146 VanDerWaalsContact O-N 3.14Å; P143-E147 PolarHBondContact O-N 3.29Å
144	A	93.4	Very high	94.2	Very high	72 Å²	72	71.6 Å²	71.6	60%	0.595	39%	0.393	S	S	*	.	H	α-helix	trans	-62.1	-34.2	176.7	0	0	0	0	0	112.9	L142 A148	L142-A144 VanDerWaalsContact C-N 3.32Å; L142-A144 PolarHBondContact O-N 3.3Å; A144-A148 VanDerWaalsContact O-CB 3.23Å; A144-A148 WeakPolarHBondContact O-CB 3.4Å; A144-A148 PolarHBondContact O-N 3.49Å
145	A	91.4	Very high	94.2	Very high	30 Å²	30	74.1 Å²	74.1	25%	0.248	41%	0.409	C	S	.	.	H	α-helix	trans	-72.8	-36.2	175.8	0	0	0	0	0	111.9	L142 P143 R149	L142-A145 HydrophobicContact CB-CB 4.27Å; L142-A145 WeakPolarHBondContact O-CA 3.36Å; L142-A145 WeakPolarHBondContact O-CB 3.41Å; L142-A145 PolarHBondContact O-N 2.96Å; P143-A145 VanDerWaalsContact C-N 3.28Å; P143-A145 PolarHBondContact O-N 3.36Å; A145-R149 VanDerWaalsContact O-CB 3.29Å; A145-R149 WeakPolarHBondContact O-CB 3.44Å; A145-R149 WeakPolarHBondContact O-CG 3.34Å; A145-R149 PolarHBondContact O-N 2.91Å
146	R	93.3	Very high	94.4	Very high	77 Å²	77	72.5 Å²	72.5	29%	0.291	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-48.6	174.9	-60.1	176.7	-158.9	-175.3	1.9	111.1	L138 E139 S141 L142 P143 G150 L151	L138-R146 HydrophobicContact CD1-CG 3.98Å; L138-R146 PolarHBondContact O-NE 2.68Å; L138-R146 PolarHBondContact O-NH2 2.84Å; E139-R146 VanDerWaalsContact C-NH2 3.34Å; E139-R146 PolarHBondContact O-NH2 3.42Å; S141-R146 PolarHBondContact O-NE 3.5Å; S141-R146 PolarHBondContact O-NH2 3.34Å; L142-R146 WeakPolarHBondContact O-CG 3.31Å; L142-R146 PolarHBondContact O-N 3.09Å; P143-R146 WeakPolarHBondContact O-CB 3.49Å; P143-R146 PolarHBondContact O-N 2.86Å; P143-R146 VanDerWaalsContact O-N 3.14Å; R146-G150 WeakPolarHBondContact O-CA 3.14Å; R146-G150 PolarHBondContact O-N 2.86Å; R146-L151 HydrophobicContact CB-CB 4.27Å; R146-L151 HydrophobicContact CB-CD1 4.41Å; R146-L151 HydrophobicContact CG-CB 4.45Å; R146-L151 HydrophobicContact CG-CD1 4.08Å; R146-L151 PolarHBondContact O-N 3.12Å
147	E	93.6	Very high	94.6	Very high	169 Å²	169	71.2 Å²	71.2	79%	0.79	40%	0.398	S	S	*	.	H	α-helix	trans	-64.1	-53.4	178.1	-174.6	179.8	-174.8	0	0	111.2	P143 R149 G150	P143-E147 PolarHBondContact O-N 3.29Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 2.87Å; E147-G150 PolarHBondContact O-N 3.44Å
148	A	93.9	Very high	94.8	Very high	66 Å²	66	70.3 Å²	70.3	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-59.8	-40.2	-176.2	0	0	0	0	0	112.8	A144 F174	A144-A148 VanDerWaalsContact O-CB 3.23Å; A144-A148 WeakPolarHBondContact O-CB 3.4Å; A144-A148 PolarHBondContact O-N 3.49Å; A148-F174 WeakPolarHBondContact O-CZ 3.18Å
149	R	94.8	Very high	95.1	Very high	92 Å²	92	69.3 Å²	69.3	35%	0.347	39%	0.389	S	S	.	.	H	α-helix	trans	-89.1	-10.3	-178	-64	177.8	-175.8	-173	2.7	113.4	A145 E147 L151 F174 G212 W213	A145-R149 VanDerWaalsContact O-CB 3.29Å; A145-R149 WeakPolarHBondContact O-CB 3.44Å; A145-R149 WeakPolarHBondContact O-CG 3.34Å; A145-R149 PolarHBondContact O-N 2.91Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 2.87Å; R149-L151 HydrophobicContact CB-CD2 4.24Å; R149-L151 HydrophobicContact CB-CG 4.06Å; R149-F174 HydrophobicContact CG-CD1 3.93Å; R149-F174 HydrophobicContact CG-CD2 4.38Å; R149-F174 HydrophobicContact CG-CE1 3.8Å; R149-F174 HydrophobicContact CG-CE2 4.27Å; R149-F174 HydrophobicContact CG-CG 4.25Å; R149-F174 HydrophobicContact CG-CZ 4Å; R149-G212 CarbonylContact O-C 3.58Å; R149-W213 HydrophobicContact CB-CE3 3.96Å; R149-W213 HydrophobicContact CG-CE3 4.21Å; R149-W213 HydrophobicContact CG-CZ3 4.33Å; R149-W213 PolarHBondContact O-N 2.91Å
150	G	95.6	Very high	95.3	Very high	28 Å²	28	63.6 Å²	63.6	29%	0.289	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	51.6	-169	0	0	0	0	0	111.5	R146 E147 W213	R146-G150 WeakPolarHBondContact O-CA 3.14Å; R146-G150 PolarHBondContact O-N 2.86Å; E147-G150 PolarHBondContact O-N 3.44Å; G150-W213 PolarHBondContact O-N 3.34Å
151	L	95.4	Very high	95.6	Very high	16 Å²	16	58.7 Å²	58.7	8%	0.084	34%	0.336	C	S	.	.			trans	-71.9	126.4	174.9	-63.3	176.9	0	0	0	109.4	F133 L138 S141 R146 R149 W213	F133-L151 HydrophobicContact CE2-CD2 4.23Å; F133-L151 HydrophobicContact CZ-CD1 4.48Å; F133-L151 HydrophobicContact CZ-CD2 3.94Å; L138-L151 HydrophobicContact CD1-CB 3.51Å; S141-L151 WeakPolarHBondContact OG-CD1 3.49Å; R146-L151 HydrophobicContact CB-CB 4.27Å; R146-L151 HydrophobicContact CB-CD1 4.41Å; R146-L151 HydrophobicContact CG-CB 4.45Å; R146-L151 HydrophobicContact CG-CD1 4.08Å; R146-L151 PolarHBondContact O-N 3.12Å; R149-L151 HydrophobicContact CB-CD2 4.24Å; R149-L151 HydrophobicContact CB-CG 4.06Å; L151-W213 HydrophobicContact CD2-CB 3.54Å; L151-W213 VanDerWaalsContact CD2-CD1 3.47Å; L151-W213 HydrophobicContact CD2-CD2 3.85Å; L151-W213 HydrophobicContact CD2-CG 3.33Å
152	T	94.9	Very high	95.9	Very high	75 Å²	75	57.3 Å²	57.3	46%	0.46	33%	0.326	S	S	.	.			trans	-136.8	154.3	173	56	0	0	0	0	109.2	F133 P214	F133-T152 VanDerWaalsContact CD1-O 3.29Å; F133-T152 WeakPolarHBondContact CD1-O 3.35Å; T152-P214 WeakPolarHBondContact OG1-CG 3.48Å
153	T	96.9	Very high	96.2	Very high	63 Å²	63	57.8 Å²	57.8	39%	0.387	33%	0.325	S	S	.	.			trans	-69.4	142.3	173.3	48.2	0	0	0	0	111.3	F133 E135 L138	F133-T153 CarbonylContact O-C 3.57Å; F133-T153 VanDerWaalsContact O-CA 3.29Å; F133-T153 WeakPolarHBondContact O-CA 3.35Å; E135-T153 HydrophobicContact CB-CG2 4.09Å; E135-T153 WeakPolarHBondContact OE2-CG2 3.4Å; L138-T153 HydrophobicContact CB-CG2 4.23Å; L138-T153 HydrophobicContact CD2-CG2 3.94Å
154	V	97.2	Very high	96.4	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.024	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	114	179.2	-175.3	0	0	0	0	107.6	L131 F133 W208 P214	L131-V154 HydrophobicContact CD1-CB 4.48Å; L131-V154 HydrophobicContact CD1-CG1 3.42Å; L131-V154 VanDerWaalsContact CD1-CG1 3.42Å; F133-V154 CarbonylContact C-O 3.57Å; F133-V154 HydrophobicContact CB-CB 3.95Å; F133-V154 HydrophobicContact CB-CG2 4.15Å; F133-V154 PolarHBondContact N-O 3.37Å; F133-V154 PolarHBondContact O-N 2.95Å; V154-W208 HydrophobicContact CG1-CH2 3.55Å; V154-W208 HydrophobicContact CG1-CZ2 4.03Å; V154-W208 HydrophobicContact CG1-CZ3 4.36Å; V154-W208 HydrophobicContact CG2-CH2 4.13Å; V154-W208 HydrophobicContact CG2-CZ2 4.36Å; V154-P214 HydrophobicContact CG2-CB 4.01Å; V154-P214 HydrophobicContact CG2-CG 3.64Å
155	P	97.3	Very high	96.7	Very high	88 Å²	88	58.5 Å²	58.5	57%	0.571	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	159.6	171.5	29.4	-35	0	0	0	109.7	R157	P155-R157 PolarHBondContact O-N 3.28Å; P155-R157 VanDerWaalsContact O-N 3.09Å
156	L	98.4	Very high	97	Very high	60 Å²	60	59.8 Å²	59.8	31%	0.314	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	121.8	176.2	176.8	64.6	0	0	0	110.8	V106 M109 L131 E132	V106-L156 HydrophobicContact CG1-CD2 4.03Å; V106-L156 HydrophobicContact CG2-CD1 4.05Å; V106-L156 HydrophobicContact CG2-CD2 3.99Å; M109-L156 HydrophobicContact CE-CD1 3.73Å; L131-L156 WeakPolarHBondContact O-CA 3.32Å; E132-L156 HydrophobicContact CB-CB 4.49Å; E132-L156 HydrophobicContact CB-CD1 4.26Å; E132-L156 HydrophobicContact CG-CB 4.34Å
157	R	98.4	Very high	97.2	Very high	86 Å²	86	59 Å²	59	33%	0.325	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.3	173.9	-72.9	173.9	179.5	-91.2	0.5	109.2	A130 L131 P155 F159	A130-R157 WeakPolarHBondContact CA-O 3.44Å; L131-R157 HydrophobicContact CD1-CB 4.06Å; L131-R157 HydrophobicContact CG-CB 4.1Å; L131-R157 PolarHBondContact N-O 2.99Å; L131-R157 PolarHBondContact O-N 3.05Å; P155-R157 PolarHBondContact O-N 3.28Å; P155-R157 VanDerWaalsContact O-N 3.09Å; R157-F159 HydrophobicContact CB-CE2 3.97Å
158	I	98.8	Very high	97.3	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.7	176.6	-64.7	152.3	0	0	0	107.1	I102 I128 L129 A130 I160 E201	I102-I158 HydrophobicContact CD1-CG2 4.28Å; I102-I158 HydrophobicContact CG1-CG2 4.33Å; I102-I158 HydrophobicContact CG2-CD1 3.45Å; I102-I158 VanDerWaalsContact CG2-CD1 3.45Å; I102-I158 HydrophobicContact CG2-CG1 4.24Å; I102-I158 HydrophobicContact CG2-CG2 4.5Å; I128-I158 HydrophobicContact CG2-CG2 4.32Å; L129-I158 WeakPolarHBondContact O-CA 3.34Å; A130-I158 HydrophobicContact CB-CG1 4.28Å; I158-I160 HydrophobicContact CG2-CG1 4.28Å; I158-E201 HydrophobicContact CD1-CB 4.03Å; I158-E201 HydrophobicContact CD1-CG 4.42Å
159	F	98.8	Very high	97.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.7	172.7	-66.9	-93.3	0	0	0	110.1	I128 L129 L131 R157 P162 V196 L199 V206 W208 L218	I128-F159 WeakPolarHBondContact CA-O 3.29Å; L129-F159 HydrophobicContact CD1-CB 3.84Å; L129-F159 HydrophobicContact CD1-CD2 3.79Å; L129-F159 HydrophobicContact CD1-CG 4.23Å; L129-F159 HydrophobicContact CG-CB 4.14Å; L129-F159 PolarHBondContact N-O 2.87Å; L129-F159 PolarHBondContact O-N 2.85Å; L131-F159 HydrophobicContact CD2-CD2 4.21Å; L131-F159 HydrophobicContact CD2-CE2 4.12Å; R157-F159 HydrophobicContact CB-CE2 3.97Å; F159-P162 HydrophobicContact CB-CB 3.92Å; F159-P162 HydrophobicContact CB-CG 4.3Å; F159-V196 HydrophobicContact CD1-CG1 4.28Å; F159-V196 HydrophobicContact CD1-CG2 3.96Å; F159-V196 HydrophobicContact CE1-CB 4.46Å; F159-V196 HydrophobicContact CE1-CG1 3.64Å; F159-V196 HydrophobicContact CE1-CG2 4.13Å; F159-V196 HydrophobicContact CE2-CG1 3.98Å; F159-V196 HydrophobicContact CG-CG2 4.24Å; F159-V196 HydrophobicContact CZ-CG1 3.47Å; F159-V196 VanDerWaalsContact CZ-CG1 3.47Å; F159-L199 CarbonylContact C-O 3.26Å; F159-L199 WeakPolarHBondContact CA-O 3.43Å; F159-V206 HydrophobicContact CD1-CG2 3.83Å; F159-V206 HydrophobicContact CE1-CG2 3.64Å; F159-W208 AromaticContact CE2-CE3 3.96Å; F159-W208 HydrophobicContact CE2-CE3 3.96Å; F159-W208 HydrophobicContact CZ-CB 4.01Å; F159-W208 AromaticContact CZ-CE3 3.9Å; F159-W208 HydrophobicContact CZ-CE3 3.9Å; F159-L218 HydrophobicContact CE2-CD2 4.42Å
160	I	98.9	Very high	97.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.7	176	-55.8	168.6	0	0	0	107.8	V88 V93 V98 I102 R127 I128 I158 P162 L199	V88-I160 HydrophobicContact CB-CG2 3.64Å; V88-I160 HydrophobicContact CG1-CG2 4.09Å; V88-I160 HydrophobicContact CG2-CG2 3.77Å; V93-I160 HydrophobicContact CB-CD1 4.27Å; V93-I160 HydrophobicContact CG1-CD1 3.43Å; V93-I160 VanDerWaalsContact CG1-CD1 3.43Å; V93-I160 HydrophobicContact CG2-CD1 3.98Å; V93-I160 HydrophobicContact CG2-CG2 4.14Å; V98-I160 HydrophobicContact CG1-CD1 4.35Å; I102-I160 HydrophobicContact CD1-CD1 3.99Å; R127-I160 WeakPolarHBondContact O-CA 3.42Å; I128-I160 HydrophobicContact CG1-CG1 4.33Å; I128-I160 HydrophobicContact CG1-CG2 4.38Å; I128-I160 HydrophobicContact CG2-CG1 4.23Å; I158-I160 HydrophobicContact CG2-CG1 4.28Å; I160-P162 VanDerWaalsContact C-N 3.3Å; I160-L199 HydrophobicContact CB-CB 4.26Å; I160-L199 PolarHBondContact N-O 3.36Å; I160-L199 PolarHBondContact O-N 2.65Å
161	N	98.8	Very high	97.3	Very high	33 Å²	33	58.3 Å²	58.3	18%	0.176	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	47.9	46.6	-169.8	-58.1	-30.9	0	0	0	113.5	A87 V88 R127	A87-N161 VanDerWaalsContact CA-OD1 3.29Å; A87-N161 WeakPolarHBondContact CA-OD1 3.15Å; V88-N161 PolarHBondContact N-OD1 3.39Å; V88-N161 PolarHBondContact O-ND2 2.76Å; R127-N161 PolarHBondContact O-N 3.38Å
162	P	98.7	Very high	97.3	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	146.4	-178	27.8	-35.3	0	0	0	111.8	L129 F159 I160 V196 S197 M222 L225	L129-P162 HydrophobicContact CD2-CB 4.3Å; L129-P162 HydrophobicContact CD2-CG 3.66Å; L129-P162 HydrophobicContact CG-CG 4.08Å; F159-P162 HydrophobicContact CB-CB 3.92Å; F159-P162 HydrophobicContact CB-CG 4.3Å; I160-P162 VanDerWaalsContact C-N 3.3Å; P162-V196 HydrophobicContact CB-CG2 3.8Å; P162-S197 CarbonylContact C-O 3.55Å; P162-S197 VanDerWaalsContact CA-O 3.3Å; P162-S197 WeakPolarHBondContact CA-O 3.31Å; P162-M222 HydrophobicContact CB-CE 4.42Å; P162-M222 HydrophobicContact CB-SD 3.52Å; P162-M222 VanDerWaalsContact CB-SD 3.52Å; P162-M222 HydrophobicContact CG-CE 4.38Å; P162-M222 HydrophobicContact CG-SD 3.41Å; P162-M222 WeakPolarHBondContact CG-SD 3.18Å; P162-L225 HydrophobicContact CG-CD1 3.46Å; P162-L225 VanDerWaalsContact CG-CD1 3.46Å
163	Q	98.6	Very high	97.5	Very high	140 Å²	140	61.4 Å²	61.4	65%	0.654	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.3	166.6	-59.5	-178.2	19.9	0	0	107.9	V196 S197	Q163-V196 WeakPolarHBondContact O-CA 3.33Å; Q163-S197 PolarHBondContact N-O 2.92Å; Q163-S197 PolarHBondContact O-N 3.41Å
164	L	98.5	Very high	97.5	Very high	54 Å²	54	60.7 Å²	60.7	28%	0.283	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.3	-177.4	-172.9	150	0	0	0	110.2	V166 V194 E195 L218 Q219 M222	L164-V166 HydrophobicContact CD2-CG2 4.39Å; L164-V194 HydrophobicContact CD1-CB 4.24Å; L164-V194 HydrophobicContact CD1-CG1 4.41Å; L164-V194 HydrophobicContact CD1-CG2 4.14Å; L164-V194 HydrophobicContact CD2-CB 4.06Å; L164-V194 HydrophobicContact CD2-CG1 3.91Å; L164-V194 HydrophobicContact CG-CB 4.1Å; L164-V194 HydrophobicContact CG-CG1 4.41Å; L164-V194 HydrophobicContact CG-CG2 4.46Å; L164-E195 CarbonylContact C-O 3.58Å; L164-E195 WeakPolarHBondContact CA-O 3.35Å; L164-L218 HydrophobicContact CD1-CB 4.45Å; L164-Q219 HydrophobicContact CD1-CG 3.9Å; L164-M222 HydrophobicContact CB-CE 4.03Å; L164-M222 HydrophobicContact CB-CG 4.14Å; L164-M222 HydrophobicContact CD1-CB 4.33Å; L164-M222 HydrophobicContact CD1-CG 3.75Å
165	R	98.6	Very high	97.4	Very high	131 Å²	131	63.3 Å²	63.3	49%	0.494	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131	175.1	-176.5	172.6	68.1	96.3	-5.2	109.5	V194 E195	R165-V194 CarbonylContact O-C 3.52Å; R165-V194 WeakPolarHBondContact O-CA 3.45Å; R165-E195 HydrophobicContact CB-CB 4.4Å; R165-E195 IonicContact CZ-OE1 3.6Å; R165-E195 PolarHBondContact N-O 3.16Å; R165-E195 IonicContact NE-OE1 3.52Å; R165-E195 PolarHBondContact NE-OE1 3.24Å; R165-E195 IonicContact NH2-OE1 2.65Å; R165-E195 PolarHBondContact NH2-OE1 2.86Å; R165-E195 IonicContact NH2-OE2 3.65Å; R165-E195 PolarHBondContact NH2-OE2 2.74Å; R165-E195 VanDerWaalsContact NH2-OE2 3.16Å; R165-E195 PolarHBondContact O-N 2.84Å
166	V	98.4	Very high	97.4	Very high	56 Å²	56	59.6 Å²	59.6	34%	0.339	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.2	175.8	179.2	0	0	0	0	109.1	L164 D168 Y191	L164-V166 HydrophobicContact CD2-CG2 4.39Å; V166-D168 VanDerWaalsContact CG1-O 3.29Å; V166-D168 WeakPolarHBondContact CG1-O 3.39Å; V166-Y191 HydrophobicContact CB-CG 4.46Å; V166-Y191 HydrophobicContact CG1-CD1 3.71Å; V166-Y191 HydrophobicContact CG1-CD2 4.24Å; V166-Y191 HydrophobicContact CG1-CE1 4.2Å; V166-Y191 HydrophobicContact CG1-CG 3.72Å; V166-Y191 HydrophobicContact CG2-CD1 4.35Å; V166-Y191 HydrophobicContact CG2-CD2 3.45Å; V166-Y191 VanDerWaalsContact CG2-CD2 3.45Å; V166-Y191 HydrophobicContact CG2-CE2 3.63Å; V166-Y191 HydrophobicContact CG2-CG 3.83Å
167	L	97.9	Very high	97.3	Very high	62 Å²	62	59.6 Å²	59.6	33%	0.325	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-34	176	-60.5	-179.8	0	0	0	111.7	S193 E195 Q209	L167-S193 PolarHBondContact N-O 2.9Å; L167-E195 HydrophobicContact CD1-CB 4.12Å; L167-E195 HydrophobicContact CD2-CB 4.07Å; L167-E195 HydrophobicContact CG-CB 4.14Å; L167-Q209 HydrophobicContact CD1-CB 3.9Å; L167-Q209 HydrophobicContact CD1-CG 3.82Å
168	D	94	Very high	97.3	Very high	37 Å²	37	55.8 Å²	55.8	20%	0.198	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	117.7	176.3	-173.5	-15.7	0	0	0	109.8	V166 R170 S193	V166-D168 VanDerWaalsContact CG1-O 3.29Å; V166-D168 WeakPolarHBondContact CG1-O 3.39Å; D168-R170 PolarHBondContact O-N 3.25Å; D168-R170 VanDerWaalsContact OD1-CB 3.31Å; D168-R170 WeakPolarHBondContact OD1-CB 3.33Å; D168-R170 VanDerWaalsContact OD1-CG 3.29Å; D168-R170 WeakPolarHBondContact OD1-CG 3.22Å; D168-R170 PolarHBondContact OD1-N 3.3Å; D168-R170 IonicContact OD1-NE 3.53Å; D168-R170 PolarHBondContact OD1-NE 3.3Å; D168-R170 IonicContact OD2-CZ 2.9Å; D168-R170 IonicContact OD2-NE 2.65Å; D168-R170 PolarHBondContact OD2-NE 2.68Å; D168-R170 IonicContact OD2-NH2 3.25Å; D168-R170 PolarHBondContact OD2-NH2 2.9Å; D168-S193 PolarHBondContact N-O 3.46Å
169	G	91.3	Very high	97.2	Very high	57 Å²	57	58.1 Å²	58.1	59%	0.588	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	-9.7	-179	0	0	0	0	0	114.5	T171	G169-T171 PolarHBondContact O-N 2.99Å
170	R	95.9	Very high	97.2	Very high	164 Å²	164	58 Å²	58	62%	0.619	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	133.6	175.5	-66	179.9	-63.8	171	0.7	110.4	D168 Y191 L192	D168-R170 PolarHBondContact O-N 3.25Å; D168-R170 VanDerWaalsContact OD1-CB 3.31Å; D168-R170 WeakPolarHBondContact OD1-CB 3.33Å; D168-R170 VanDerWaalsContact OD1-CG 3.29Å; D168-R170 WeakPolarHBondContact OD1-CG 3.22Å; D168-R170 PolarHBondContact OD1-N 3.3Å; D168-R170 IonicContact OD1-NE 3.53Å; D168-R170 PolarHBondContact OD1-NE 3.3Å; D168-R170 IonicContact OD2-CZ 2.9Å; D168-R170 IonicContact OD2-NE 2.65Å; D168-R170 PolarHBondContact OD2-NE 2.68Å; D168-R170 IonicContact OD2-NH2 3.25Å; D168-R170 PolarHBondContact OD2-NH2 2.9Å; R170-Y191 WeakPolarHBondContact O-CA 3.43Å; R170-L192 PolarHBondContact O-N 3.47Å
171	T	96.6	Very high	97.1	Very high	81 Å²	81	58.6 Å²	58.6	50%	0.497	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.4	176	54.4	0	0	0	0	111.5	G169 R190 Y191	G169-T171 PolarHBondContact O-N 2.99Å; T171-R190 CarbonylContact C-O 3.22Å; T171-R190 WeakPolarHBondContact CA-O 3.37Å; T171-Y191 HydrophobicContact CG2-CD1 4.11Å; T171-Y191 HydrophobicContact CG2-CE1 4.21Å
172	V	96.8	Very high	97	Very high	44 Å²	44	60.2 Å²	60.2	27%	0.267	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.3	171.1	-70.1	0	0	0	0	110.8	F174 R190 L192 R216	V172-F174 HydrophobicContact CB-CD2 4.47Å; V172-F174 HydrophobicContact CB-CE2 4.1Å; V172-F174 HydrophobicContact CG2-CD2 4.36Å; V172-F174 HydrophobicContact CG2-CE2 4.21Å; V172-R190 PolarHBondContact N-O 3.22Å; V172-R190 PolarHBondContact O-N 3.27Å; V172-R190 VanDerWaalsContact O-N 3.1Å; V172-L192 HydrophobicContact CG1-CD1 4.01Å; V172-L192 HydrophobicContact CG2-CD1 4.38Å; V172-R216 PolarHBondContact O-NH2 3Å
173	L	97.8	Very high	96.8	Very high	112 Å²	112	61.5 Å²	61.5	59%	0.586	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.7	-176.8	-64.4	173.8	0	0	0	110.1	T187 P189	L173-T187 HydrophobicContact CB-CG2 3.83Å; L173-T187 HydrophobicContact CD2-CG2 4.17Å; L173-P189 HydrophobicContact CD2-CB 3.76Å
174	F	97.4	Very high	96.7	Very high	48 Å²	48	58.3 Å²	58.3	21%	0.211	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.7	171	-67.5	-65	0	0	0	110.1	A148 R149 V172 T187 V188 W213	A148-F174 WeakPolarHBondContact O-CZ 3.18Å; R149-F174 HydrophobicContact CG-CD1 3.93Å; R149-F174 HydrophobicContact CG-CD2 4.38Å; R149-F174 HydrophobicContact CG-CE1 3.8Å; R149-F174 HydrophobicContact CG-CE2 4.27Å; R149-F174 HydrophobicContact CG-CG 4.25Å; R149-F174 HydrophobicContact CG-CZ 4Å; V172-F174 HydrophobicContact CB-CD2 4.47Å; V172-F174 HydrophobicContact CB-CE2 4.1Å; V172-F174 HydrophobicContact CG2-CD2 4.36Å; V172-F174 HydrophobicContact CG2-CE2 4.21Å; F174-T187 WeakPolarHBondContact O-CA 3.19Å; F174-V188 PolarHBondContact O-N 3.12Å; F174-W213 HydrophobicContact CB-CZ3 4Å; F174-W213 HydrophobicContact CD2-CZ3 4.5Å; F174-W213 HydrophobicContact CG-CZ3 4.36Å
175	Q	95.9	Very high	96.7	Very high	59 Å²	59	56.4 Å²	56.4	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.7	170.4	-76.8	-82.5	-50.5	0	0	110.2	S185 A186 T187 T238	Q175-S185 VanDerWaalsContact OE1-CB 3.31Å; Q175-S185 PolarHBondContact OE1-OG 2.91Å; Q175-A186 CarbonylContact C-O 3.54Å; Q175-A186 WeakPolarHBondContact CA-O 3.15Å; Q175-T187 PolarHBondContact NE2-OG1 3.11Å; Q175-T238 PolarHBondContact NE2-O 3.33Å
176	E	96.3	Very high	96.7	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.047	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149	170.4	-74.5	-177.1	-159.7	0	0	109.7	S185 A186 V188 R190 R216 H220	E176-S185 CarbonylContact O-C 3.55Å; E176-S185 WeakPolarHBondContact O-CA 3.32Å; E176-S185 WeakPolarHBondContact O-CB 3.22Å; E176-A186 PolarHBondContact N-O 3.23Å; E176-A186 PolarHBondContact O-N 2.65Å; E176-V188 HydrophobicContact CB-CB 4.46Å; E176-V188 HydrophobicContact CB-CG2 4Å; E176-V188 HydrophobicContact CG-CB 4.2Å; E176-V188 HydrophobicContact CG-CG2 4.29Å; E176-R190 WeakPolarHBondContact OE1-CG 3.47Å; E176-R190 IonicContact OE1-CZ 2.8Å; E176-R190 IonicContact OE1-NE 3.38Å; E176-R190 PolarHBondContact OE1-NE 2.95Å; E176-R190 IonicContact OE1-NH2 3.16Å; E176-R190 IonicContact OE2-CZ 2.76Å; E176-R190 IonicContact OE2-NE 3.9Å; E176-R190 PolarHBondContact OE2-NE 2.67Å; E176-R190 IonicContact OE2-NH2 3.16Å; E176-R190 PolarHBondContact OE2-NH2 3.11Å; E176-R216 HydrophobicContact CG-CG 4.31Å; E176-R216 VanDerWaalsContact OE1-CD 3.32Å; E176-R216 WeakPolarHBondContact OE1-CD 3.5Å; E176-R216 VanDerWaalsContact OE1-CG 3.22Å; E176-R216 WeakPolarHBondContact OE1-CG 3.19Å; E176-R216 IonicContact OE1-CZ 3.77Å; E176-R216 IonicContact OE1-NE 3.05Å; E176-R216 IonicContact OE1-NH1 2.68Å; E176-R216 PolarHBondContact OE1-NH1 3.24Å; E176-H220 IonicContact OE2-ND1 2.84Å; E176-H220 PolarHBondContact OE2-ND1 2.82Å
177	A	96.3	Very high	96.7	Very high	60 Å²	60	48.8 Å²	48.8	50%	0.496	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	164.7	167.6	0	0	0	0	0	108.5
178	C	98.1	Very high	96.7	Very high	7 Å²	7	45.8 Å²	45.8	5%	0.047	26%	0.263	C	S	.	.			trans	-140.6	134.8	179.1	-172.7	0	0	0	0	109.8	S180 I181 H220 H224 Y230	C178-S180 PolarHBondContact O-N 2.95Å; C178-S180 VanDerWaalsContact O-N 3.13Å; C178-I181 HydrophobicContact CB-CB 4.49Å; C178-I181 CarbonylContact O-C 3.52Å; C178-I181 VanDerWaalsContact O-C 3.26Å; C178-I181 PolarHBondContact O-N 3.37Å; C178-H220 PolarHBondContact SG-NE2 2.72Å; C178-H220 VanDerWaalsContact SG-NE2 3.42Å; C178-H224 PolarHBondContact SG-CE1 3.47Å; C178-H224 PolarHBondContact SG-NE2 3.04Å; C178-H224 VanDerWaalsContact SG-NE2 3.43Å; C178-Y230 HydrophobicContact CB-CD1 3.63Å; C178-Y230 HydrophobicContact CB-CE1 3.72Å
179	E	97.8	Very high	96.9	Very high	61 Å²	61	46.4 Å²	46.4	29%	0.285	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.1	175.7	-67.1	-54.8	130.5	0	0	112.8	V73 Q75 C114 I181 S182	V73-E179 HydrophobicContact CB-CB 4.3Å; V73-E179 HydrophobicContact CG1-CB 3.8Å; V73-E179 HydrophobicContact CG2-CB 4.09Å; Q75-E179 PolarHBondContact NE2-O 3.14Å; Q75-E179 PolarHBondContact OE1-O 3.01Å; C114-E179 HydrophobicContact CB-CG 3.71Å; E179-I181 VanDerWaalsContact C-N 3.31Å; E179-S182 PolarHBondContact O-OG 3.4Å
180	S	98.3	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.9	174.3	-64	0	0	0	0	114.4	V73 C74 Q75 V76 Q121 C178	V73-S180 WeakPolarHBondContact CG1-OG 3.39Å; C74-S180 WeakPolarHBondContact O-CA 3.33Å; C74-S180 WeakPolarHBondContact O-CB 3.43Å; C74-S180 PolarHBondContact O-OG 3.42Å; Q75-S180 CarbonylContact C-O 3.49Å; Q75-S180 WeakPolarHBondContact CA-O 3.45Å; Q75-S180 PolarHBondContact OE1-O 2.9Å; V76-S180 PolarHBondContact N-O 2.85Å; Q121-S180 WeakPolarHBondContact CG-OG 3.35Å; Q121-S180 PolarHBondContact NE2-OG 2.87Å; Q121-S180 VanDerWaalsContact NE2-OG 3.16Å; C178-S180 PolarHBondContact O-N 2.95Å; C178-S180 VanDerWaalsContact O-N 3.13Å
181	I	97.9	Very high	97.4	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.062	23%	0.232	C	C	.	.	S	Bend	trans	-131.5	68.4	174.3	-51.5	-177.5	0	0	0	107.3	V76 C178 E179 G183 F184 L229 Y230 I231	V76-I181 HydrophobicContact CB-CG1 4.08Å; V76-I181 HydrophobicContact CG1-CG1 4.13Å; C178-I181 HydrophobicContact CB-CB 4.49Å; C178-I181 CarbonylContact O-C 3.52Å; C178-I181 VanDerWaalsContact O-C 3.26Å; C178-I181 PolarHBondContact O-N 3.37Å; E179-I181 VanDerWaalsContact C-N 3.31Å; I181-G183 PolarHBondContact O-N 3.1Å; I181-F184 HydrophobicContact CG2-CB 4.28Å; I181-F184 HydrophobicContact CG2-CD2 4.43Å; I181-F184 PolarHBondContact O-N 2.94Å; I181-L229 HydrophobicContact CD1-CB 4.28Å; I181-L229 HydrophobicContact CD1-CD1 4.18Å; I181-Y230 HydrophobicContact CB-CE1 3.96Å; I181-Y230 HydrophobicContact CD1-CD1 3.95Å; I181-Y230 HydrophobicContact CD1-CE1 3.62Å; I181-Y230 HydrophobicContact CG1-CE1 4.19Å; I181-Y230 HydrophobicContact CG2-CE1 4.37Å; I181-I231 HydrophobicContact CD1-CB 4.24Å; I181-I231 HydrophobicContact CD1-CD1 3.77Å; I181-I231 HydrophobicContact CD1-CG1 3.75Å; I181-I231 HydrophobicContact CD1-CG2 3.52Å
182	S	95.6	Very high	97.4	Very high	68 Å²	68	39.4 Å²	39.4	48%	0.476	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	130	-171.5	-67.9	0	0	0	0	112.7	Q75 E179 F184	Q75-S182 PolarHBondContact OE1-OG 3.24Å; E179-S182 PolarHBondContact O-OG 3.4Å; S182-F184 WeakPolarHBondContact O-CD2 3.47Å
183	G	94.8	Very high	97.5	Very high	28 Å²	28	38 Å²	38	29%	0.289	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	6.3	171.2	0	0	0	0	0	115.8	I181 N241 V242	I181-G183 PolarHBondContact O-N 3.1Å; G183-N241 WeakPolarHBondContact O-CA 3.38Å; G183-N241 PolarHBondContact O-ND2 3.43Å; G183-V242 PolarHBondContact O-N 2.86Å
184	F	97.3	Very high	97.5	Very high	73 Å²	73	32.7 Å²	32.7	32%	0.32	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.9	178.6	-62.3	-89.3	0	0	0	112.7	I181 S182 Y230 F239 I240 N241	I181-F184 HydrophobicContact CG2-CB 4.28Å; I181-F184 HydrophobicContact CG2-CD2 4.43Å; I181-F184 PolarHBondContact O-N 2.94Å; S182-F184 WeakPolarHBondContact O-CD2 3.47Å; F184-Y230 PolarHBondContact O-OH 2.98Å; F184-Y230 VanDerWaalsContact O-OH 3.11Å; F184-F239 HydrophobicContact CB-CD2 4.41Å; F184-F239 HydrophobicContact CB-CE1 4.4Å; F184-F239 HydrophobicContact CB-CE2 3.5Å; F184-F239 VanDerWaalsContact CB-CE2 3.5Å; F184-F239 HydrophobicContact CB-CZ 3.49Å; F184-F239 VanDerWaalsContact CB-CZ 3.49Å; F184-F239 HydrophobicContact CD1-CD1 4.32Å; F184-F239 AromaticContact CD1-CE1 3.47Å; F184-F239 HydrophobicContact CD1-CE1 3.47Å; F184-F239 VanDerWaalsContact CD1-CE1 3.47Å; F184-F239 HydrophobicContact CD1-CE2 4.14Å; F184-F239 AromaticContact CD1-CZ 3.37Å; F184-F239 HydrophobicContact CD1-CZ 3.37Å; F184-F239 HydrophobicContact CD2-CZ 4.23Å; F184-F239 AromaticContact CE1-CE1 3.92Å; F184-F239 HydrophobicContact CE1-CE1 3.92Å; F184-F239 HydrophobicContact CE1-CZ 4.12Å; F184-F239 HydrophobicContact CG-CE1 4.05Å; F184-F239 HydrophobicContact CG-CE2 4Å; F184-F239 AromaticContact CG-CZ 3.43Å; F184-F239 HydrophobicContact CG-CZ 3.43Å; F184-F239 VanDerWaalsContact CG-CZ 3.43Å; F184-I240 VanDerWaalsContact CA-O 3.3Å; F184-I240 WeakPolarHBondContact CA-O 3.32Å; F184-N241 HydrophobicContact CD1-CB 4.36Å; F184-N241 HydrophobicContact CE1-CB 4.19Å
185	S	97.3	Very high	97.6	Very high	14 Å²	14	31.7 Å²	31.7	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.6	172.4	66.5	0	0	0	0	111	Q175 E176 F239 I240	Q175-S185 VanDerWaalsContact OE1-CB 3.31Å; Q175-S185 PolarHBondContact OE1-OG 2.91Å; E176-S185 CarbonylContact O-C 3.55Å; E176-S185 WeakPolarHBondContact O-CA 3.32Å; E176-S185 WeakPolarHBondContact O-CB 3.22Å; S185-F239 WeakPolarHBondContact O-CA 3.26Å; S185-I240 PolarHBondContact N-O 2.76Å; S185-I240 PolarHBondContact O-N 2.8Å; S185-I240 WeakPolarHBondContact OG-CG1 3.4Å
186	A	98.1	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	162.9	169.7	0	0	0	0	0	111.8	Q175 E176 Y230 M234 F239	Q175-A186 CarbonylContact C-O 3.54Å; Q175-A186 WeakPolarHBondContact CA-O 3.15Å; E176-A186 PolarHBondContact N-O 3.23Å; E176-A186 PolarHBondContact O-N 2.65Å; A186-Y230 HydrophobicContact CB-CD2 4.37Å; A186-Y230 HydrophobicContact CB-CE2 3.81Å; A186-M234 HydrophobicContact CB-CB 3.6Å; A186-M234 HydrophobicContact CB-CG 4.04Å; A186-M234 HydrophobicContact CB-SD 3.39Å; A186-M234 WeakPolarHBondContact CB-SD 3.29Å; A186-F239 HydrophobicContact CB-CB 4.23Å; A186-F239 HydrophobicContact CB-CD2 4.12Å
187	T	98.4	Very high	97.8	Very high	27 Å²	27	30.3 Å²	30.3	17%	0.166	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.7	176.8	-60.9	0	0	0	0	109	L173 F174 Q175 M234 D235 T238	L173-T187 HydrophobicContact CB-CG2 3.83Å; L173-T187 HydrophobicContact CD2-CG2 4.17Å; F174-T187 WeakPolarHBondContact O-CA 3.19Å; Q175-T187 PolarHBondContact NE2-OG1 3.11Å; T187-M234 CarbonylContact O-C 3.59Å; T187-M234 WeakPolarHBondContact O-CA 3.44Å; T187-D235 PolarHBondContact O-N 3.17Å; T187-T238 VanDerWaalsContact CB-OG1 3.26Å; T187-T238 WeakPolarHBondContact CB-OG1 3.05Å; T187-T238 PolarHBondContact N-OG1 3.22Å; T187-T238 PolarHBondContact OG1-OG1 2.88Å
188	V	98.7	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.7	-177.9	-177.4	0	0	0	0	109.8	F174 E176 R190 R216 Y230 R233 M234	F174-V188 PolarHBondContact O-N 3.12Å; E176-V188 HydrophobicContact CB-CB 4.46Å; E176-V188 HydrophobicContact CB-CG2 4Å; E176-V188 HydrophobicContact CG-CB 4.2Å; E176-V188 HydrophobicContact CG-CG2 4.29Å; V188-R190 HydrophobicContact CG1-CG 4.41Å; V188-R216 PolarHBondContact O-NH1 3.03Å; V188-R216 PolarHBondContact O-NH2 3.32Å; V188-Y230 HydrophobicContact CG2-CD2 3.88Å; V188-Y230 HydrophobicContact CG2-CG 4.43Å; V188-R233 HydrophobicContact CG1-CB 4Å; V188-M234 HydrophobicContact CG2-CB 4.01Å
189	P	98.4	Very high	98	Very high	50 Å²	50	29.3 Å²	29.3	33%	0.325	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	129.9	169.9	29.4	-31.7	0	0	0	110.8	L173 R233	L173-P189 HydrophobicContact CD2-CB 3.76Å; P189-R233 WeakPolarHBondContact CD-O 3.41Å
190	R	98.5	Very high	98	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.6	175	-64.6	-67.3	-171.7	-176.4	-2.6	110.5	T171 V172 E176 V188 R216 D223	T171-R190 CarbonylContact C-O 3.22Å; T171-R190 WeakPolarHBondContact CA-O 3.37Å; V172-R190 PolarHBondContact N-O 3.22Å; V172-R190 PolarHBondContact O-N 3.27Å; V172-R190 VanDerWaalsContact O-N 3.1Å; E176-R190 WeakPolarHBondContact OE1-CG 3.47Å; E176-R190 IonicContact OE1-CZ 2.8Å; E176-R190 IonicContact OE1-NE 3.38Å; E176-R190 PolarHBondContact OE1-NE 2.95Å; E176-R190 IonicContact OE1-NH2 3.16Å; E176-R190 IonicContact OE2-CZ 2.76Å; E176-R190 IonicContact OE2-NE 3.9Å; E176-R190 PolarHBondContact OE2-NE 2.67Å; E176-R190 IonicContact OE2-NH2 3.16Å; E176-R190 PolarHBondContact OE2-NH2 3.11Å; V188-R190 HydrophobicContact CG1-CG 4.41Å; R190-R216 HydrophobicContact CB-CB 4.43Å; R190-R216 HydrophobicContact CG-CB 4.32Å; R190-R216 HydrophobicContact CG-CG 4.01Å; R190-D223 IonicContact CZ-OD2 3.21Å; R190-D223 IonicContact NH1-OD2 3.77Å; R190-D223 PolarHBondContact NH1-OD2 2.86Å; R190-D223 IonicContact NH2-OD2 2.68Å; R190-D223 PolarHBondContact NH2-OD2 3.15Å
191	Y	98.6	Very high	98	Very high	102 Å²	102	30.1 Å²	30.1	40%	0.4	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	138.6	172	-63.6	-67.3	0	0	0	110	V166 R170 T171 S193 Q219	V166-Y191 HydrophobicContact CB-CG 4.46Å; V166-Y191 HydrophobicContact CG1-CD1 3.71Å; V166-Y191 HydrophobicContact CG1-CD2 4.24Å; V166-Y191 HydrophobicContact CG1-CE1 4.2Å; V166-Y191 HydrophobicContact CG1-CG 3.72Å; V166-Y191 HydrophobicContact CG2-CD1 4.35Å; V166-Y191 HydrophobicContact CG2-CD2 3.45Å; V166-Y191 VanDerWaalsContact CG2-CD2 3.45Å; V166-Y191 HydrophobicContact CG2-CE2 3.63Å; V166-Y191 HydrophobicContact CG2-CG 3.83Å; R170-Y191 WeakPolarHBondContact O-CA 3.43Å; T171-Y191 HydrophobicContact CG2-CD1 4.11Å; T171-Y191 HydrophobicContact CG2-CE1 4.21Å; Y191-S193 VanDerWaalsContact C-N 3.33Å; Y191-S193 PolarHBondContact O-N 3.13Å; Y191-Q219 PolarHBondContact O-NE2 3.35Å
192	L	97.4	Very high	98	Very high	46 Å²	46	35 Å²	35	24%	0.241	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-36.8	-176.5	178.3	61.5	0	0	0	112.2	R170 V172 S211 G212	R170-L192 PolarHBondContact O-N 3.47Å; V172-L192 HydrophobicContact CG1-CD1 4.01Å; V172-L192 HydrophobicContact CG2-CD1 4.38Å; L192-S211 CarbonylContact O-C 2.96Å; L192-S211 WeakPolarHBondContact O-CA 3.31Å; L192-G212 PolarHBondContact O-N 2.9Å
193	S	98.1	Very high	98.1	Very high	14 Å²	14	33.2 Å²	33.2	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.9	-175.7	-170.2	0	0	0	0	112.1	L167 D168 Y191 V210 S211	L167-S193 PolarHBondContact N-O 2.9Å; D168-S193 PolarHBondContact N-O 3.46Å; Y191-S193 VanDerWaalsContact C-N 3.33Å; Y191-S193 PolarHBondContact O-N 3.13Å; S193-V210 WeakPolarHBondContact CA-O 3.41Å; S193-V210 PolarHBondContact OG-O 3.5Å; S193-V210 VanDerWaalsContact OG-O 3.1Å; S193-S211 WeakPolarHBondContact CB-OG 3.3Å; S193-S211 PolarHBondContact OG-OG 3.34Å
194	V	98.7	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.8	-178.6	-57.1	0	0	0	0	110.5	L164 R165 V210 A215 L218 Q219	L164-V194 HydrophobicContact CD1-CB 4.24Å; L164-V194 HydrophobicContact CD1-CG1 4.41Å; L164-V194 HydrophobicContact CD1-CG2 4.14Å; L164-V194 HydrophobicContact CD2-CB 4.06Å; L164-V194 HydrophobicContact CD2-CG1 3.91Å; L164-V194 HydrophobicContact CG-CB 4.1Å; L164-V194 HydrophobicContact CG-CG1 4.41Å; L164-V194 HydrophobicContact CG-CG2 4.46Å; R165-V194 CarbonylContact O-C 3.52Å; R165-V194 WeakPolarHBondContact O-CA 3.45Å; V194-V210 HydrophobicContact CG2-CG2 4.42Å; V194-V210 PolarHBondContact N-O 2.8Å; V194-V210 PolarHBondContact O-N 3.17Å; V194-A215 HydrophobicContact CG2-CB 3.87Å; V194-L218 HydrophobicContact CG2-CB 4.41Å; V194-L218 HydrophobicContact CG2-CD1 4.2Å; V194-Q219 HydrophobicContact CG1-CG 4Å
195	E	98.8	Very high	98.4	Very high	28 Å²	28	38.5 Å²	38.5	13%	0.131	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.9	165.3	-178.1	176.7	72.8	0	0	108.6	L164 R165 L167 T207 W208 Q209	L164-E195 CarbonylContact C-O 3.58Å; L164-E195 WeakPolarHBondContact CA-O 3.35Å; R165-E195 HydrophobicContact CB-CB 4.4Å; R165-E195 IonicContact CZ-OE1 3.6Å; R165-E195 PolarHBondContact N-O 3.16Å; R165-E195 IonicContact NE-OE1 3.52Å; R165-E195 PolarHBondContact NE-OE1 3.24Å; R165-E195 IonicContact NH2-OE1 2.65Å; R165-E195 PolarHBondContact NH2-OE1 2.86Å; R165-E195 IonicContact NH2-OE2 3.65Å; R165-E195 PolarHBondContact NH2-OE2 2.74Å; R165-E195 VanDerWaalsContact NH2-OE2 3.16Å; R165-E195 PolarHBondContact O-N 2.84Å; L167-E195 HydrophobicContact CD1-CB 4.12Å; L167-E195 HydrophobicContact CD2-CB 4.07Å; L167-E195 HydrophobicContact CG-CB 4.14Å; E195-T207 HydrophobicContact CG-CG2 3.61Å; E195-W208 WeakPolarHBondContact CA-O 3.49Å; E195-Q209 HydrophobicContact CB-CG 3.96Å; E195-Q209 HydrophobicContact CG-CG 3.81Å; E195-Q209 WeakPolarHBondContact OE2-CG 3.49Å; E195-Q209 PolarHBondContact OE2-NE2 2.8Å
196	V	98.7	Very high	98.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.2	169.2	62	0	0	0	0	109.5	F159 P162 Q163 T207 W208 L218	F159-V196 HydrophobicContact CD1-CG1 4.28Å; F159-V196 HydrophobicContact CD1-CG2 3.96Å; F159-V196 HydrophobicContact CE1-CB 4.46Å; F159-V196 HydrophobicContact CE1-CG1 3.64Å; F159-V196 HydrophobicContact CE1-CG2 4.13Å; F159-V196 HydrophobicContact CE2-CG1 3.98Å; F159-V196 HydrophobicContact CG-CG2 4.24Å; F159-V196 HydrophobicContact CZ-CG1 3.47Å; F159-V196 VanDerWaalsContact CZ-CG1 3.47Å; P162-V196 HydrophobicContact CB-CG2 3.8Å; Q163-V196 WeakPolarHBondContact O-CA 3.33Å; V196-T207 CarbonylContact O-C 3.47Å; V196-T207 WeakPolarHBondContact O-CA 3.31Å; V196-W208 HydrophobicContact CG1-CB 4.05Å; V196-W208 HydrophobicContact CG1-CE3 4.14Å; V196-W208 PolarHBondContact N-O 2.84Å; V196-W208 PolarHBondContact O-N 3.07Å; V196-L218 HydrophobicContact CB-CD1 4.15Å; V196-L218 HydrophobicContact CB-CD2 4.2Å; V196-L218 HydrophobicContact CG1-CD1 3.58Å; V196-L218 HydrophobicContact CG1-CD2 3.83Å; V196-L218 HydrophobicContact CG1-CG 4.38Å; V196-L218 HydrophobicContact CG2-CD2 4.28Å
197	S	98.7	Very high	98.4	Very high	39 Å²	39	44 Å²	44	27%	0.273	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.2	174.2	60.6	0	0	0	0	110.5	P162 Q163 V206	P162-S197 CarbonylContact C-O 3.55Å; P162-S197 VanDerWaalsContact CA-O 3.3Å; P162-S197 WeakPolarHBondContact CA-O 3.31Å; Q163-S197 PolarHBondContact N-O 2.92Å; Q163-S197 PolarHBondContact O-N 3.41Å; S197-V206 VanDerWaalsContact CA-O 3.31Å; S197-V206 WeakPolarHBondContact CA-O 3.21Å
198	G	98.6	Very high	98.4	Very high	17 Å²	17	44.8 Å²	44.8	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-158	179.2	0	0	0	0	0	111.4	P205 V206	G198-P205 WeakPolarHBondContact O-CA 3.32Å; G198-V206 PolarHBondContact N-O 3.1Å; G198-V206 PolarHBondContact O-N 2.77Å
199	L	98.8	Very high	98.4	Very high	30 Å²	30	50.4 Å²	50.4	16%	0.157	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	147.6	171.2	-56.1	177.7	0	0	0	110.6	P90 V93 F159 I160 E204 P205	P90-L199 HydrophobicContact CB-CD1 3.87Å; P90-L199 HydrophobicContact CG-CD1 4.18Å; V93-L199 HydrophobicContact CG2-CD1 4.17Å; F159-L199 CarbonylContact C-O 3.26Å; F159-L199 WeakPolarHBondContact CA-O 3.43Å; I160-L199 HydrophobicContact CB-CB 4.26Å; I160-L199 PolarHBondContact N-O 3.36Å; I160-L199 PolarHBondContact O-N 2.65Å; L199-E204 CarbonylContact C-O 3.54Å; L199-E204 WeakPolarHBondContact CA-O 3.4Å; L199-P205 HydrophobicContact CD2-CB 4.43Å
200	N	98.6	Very high	98.4	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.091	26%	0.257	C	S	.	.			trans	-85.5	-177.3	167.8	72.3	7.1	0	0	0	111.5	K202 A203 E204 V206	N200-K202 PolarHBondContact O-N 2.94Å; N200-K202 VanDerWaalsContact O-N 3.11Å; N200-K202 WeakPolarHBondContact OD1-CA 3.34Å; N200-K202 WeakPolarHBondContact OD1-CB 3.41Å; N200-K202 PolarHBondContact OD1-N 3.4Å; N200-A203 PolarHBondContact O-N 3.05Å; N200-A203 PolarHBondContact OD1-N 2.81Å; N200-E204 PolarHBondContact N-O 3.46Å; N200-E204 PolarHBondContact ND2-OE2 3.42Å; N200-E204 WeakPolarHBondContact OD1-CB 3.45Å; N200-E204 PolarHBondContact OD1-N 3.42Å; N200-E204 PolarHBondContact OD1-O 2.92Å; N200-V206 HydrophobicContact CB-CG1 3.93Å; N200-V206 HydrophobicContact CB-CG2 4.24Å
201	E	97.8	Very high	98.4	Very high	61 Å²	61	51.4 Å²	51.4	29%	0.285	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.4	179.1	76.1	-69.5	169.2	0	0	114.5	Q99 I102 I158	Q99-E201 PolarHBondContact NE2-O 3.28Å; I102-E201 HydrophobicContact CD1-CB 4.12Å; I158-E201 HydrophobicContact CD1-CB 4.03Å; I158-E201 HydrophobicContact CD1-CG 4.42Å
202	K	98.1	Very high	98.3	Very high	114 Å²	114	47.3 Å²	47.3	50%	0.496	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.3	176.4	-58.2	178.3	-174.1	174.5	0	112.8	Q94 N200 E204	Q94-K202 PolarHBondContact NE2-O 2.84Å; N200-K202 PolarHBondContact O-N 2.94Å; N200-K202 VanDerWaalsContact O-N 3.11Å; N200-K202 WeakPolarHBondContact OD1-CA 3.34Å; N200-K202 WeakPolarHBondContact OD1-CB 3.41Å; N200-K202 PolarHBondContact OD1-N 3.4Å; K202-E204 HydrophobicContact CB-CG 4Å; K202-E204 PolarHBondContact O-N 2.98Å
203	A	98.2	Very high	98.3	Very high	31 Å²	31	46.6 Å²	46.6	26%	0.256	26%	0.261	S	S	.	.	S	Bend	trans	65.5	20.7	-173.8	0	0	0	0	0	114.3	V93 Q94 N200	V93-A203 HydrophobicContact CB-CB 3.78Å; V93-A203 HydrophobicContact CG1-CB 3.72Å; V93-A203 HydrophobicContact CG2-CB 4.39Å; Q94-A203 HydrophobicContact CG-CB 4.38Å; N200-A203 PolarHBondContact O-N 3.05Å; N200-A203 PolarHBondContact OD1-N 2.81Å
204	E	98.5	Very high	98.3	Very high	97 Å²	97	46.1 Å²	46.1	45%	0.453	26%	0.258	S	S	.	.			trans	-90.1	138.6	177.4	-56.1	164.5	158.9	0	0	109.8	L199 N200 K202 V206	L199-E204 CarbonylContact C-O 3.54Å; L199-E204 WeakPolarHBondContact CA-O 3.4Å; N200-E204 PolarHBondContact N-O 3.46Å; N200-E204 PolarHBondContact ND2-OE2 3.42Å; N200-E204 WeakPolarHBondContact OD1-CB 3.45Å; N200-E204 PolarHBondContact OD1-N 3.42Å; N200-E204 PolarHBondContact OD1-O 2.92Å; K202-E204 HydrophobicContact CB-CG 4Å; K202-E204 PolarHBondContact O-N 2.98Å; E204-V206 PolarHBondContact O-N 3.2Å
205	P	98.6	Very high	98.3	Very high	115 Å²	115	46.1 Å²	46.1	75%	0.747	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.5	176	28	-33.7	0	0	0	110.7	G198 L199	G198-P205 WeakPolarHBondContact O-CA 3.32Å; L199-P205 HydrophobicContact CD2-CB 4.43Å
206	V	98.3	Very high	98.3	Very high	40 Å²	40	45.1 Å²	45.1	24%	0.242	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.5	178.6	-67.4	0	0	0	0	110.3	F159 S197 G198 N200 E204	F159-V206 HydrophobicContact CD1-CG2 3.83Å; F159-V206 HydrophobicContact CE1-CG2 3.64Å; S197-V206 VanDerWaalsContact CA-O 3.31Å; S197-V206 WeakPolarHBondContact CA-O 3.21Å; G198-V206 PolarHBondContact N-O 3.1Å; G198-V206 PolarHBondContact O-N 2.77Å; N200-V206 HydrophobicContact CB-CG1 3.93Å; N200-V206 HydrophobicContact CB-CG2 4.24Å; E204-V206 PolarHBondContact O-N 3.2Å
207	T	98.5	Very high	98.2	Very high	90 Å²	90	45.5 Å²	45.5	55%	0.552	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	139.6	172.2	-60.7	0	0	0	0	108.9	E195 V196	E195-T207 HydrophobicContact CG-CG2 3.61Å; V196-T207 CarbonylContact O-C 3.47Å; V196-T207 WeakPolarHBondContact O-CA 3.31Å
208	W	98.4	Very high	98.2	Very high	42 Å²	42	43.7 Å²	43.7	16%	0.159	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	119.4	-177.4	-174.6	35.2	0	0	0	110.9	L131 V154 F159 E195 V196 V210 P214 L218	L131-W208 HydrophobicContact CD1-CH2 3.79Å; L131-W208 HydrophobicContact CD1-CZ3 3.53Å; L131-W208 HydrophobicContact CD2-CZ3 4.1Å; L131-W208 HydrophobicContact CG-CZ3 4.46Å; V154-W208 HydrophobicContact CG1-CH2 3.55Å; V154-W208 HydrophobicContact CG1-CZ2 4.03Å; V154-W208 HydrophobicContact CG1-CZ3 4.36Å; V154-W208 HydrophobicContact CG2-CH2 4.13Å; V154-W208 HydrophobicContact CG2-CZ2 4.36Å; F159-W208 AromaticContact CE2-CE3 3.96Å; F159-W208 HydrophobicContact CE2-CE3 3.96Å; F159-W208 HydrophobicContact CZ-CB 4.01Å; F159-W208 AromaticContact CZ-CE3 3.9Å; F159-W208 HydrophobicContact CZ-CE3 3.9Å; E195-W208 WeakPolarHBondContact CA-O 3.49Å; V196-W208 HydrophobicContact CG1-CB 4.05Å; V196-W208 HydrophobicContact CG1-CE3 4.14Å; V196-W208 PolarHBondContact N-O 2.84Å; V196-W208 PolarHBondContact O-N 3.07Å; W208-V210 HydrophobicContact CD2-CB 4.5Å; W208-V210 HydrophobicContact CD2-CG1 3.23Å; W208-V210 HydrophobicContact CE3-CG1 3.53Å; W208-V210 HydrophobicContact CG-CG1 3.69Å; W208-V210 HydrophobicContact CH2-CB 4.42Å; W208-V210 HydrophobicContact CH2-CG1 3.83Å; W208-V210 HydrophobicContact CZ2-CB 4.08Å; W208-V210 HydrophobicContact CZ2-CG1 3.58Å; W208-V210 HydrophobicContact CZ3-CG1 3.8Å; W208-P214 HydrophobicContact CH2-CB 3.94Å; W208-P214 HydrophobicContact CZ2-CB 4.41Å; W208-L218 HydrophobicContact CE3-CD1 3.92Å; W208-L218 HydrophobicContact CZ3-CD1 3.81Å; W208-L218 HydrophobicContact CZ3-CG 4.27Å
209	Q	98.5	Very high	98.2	Very high	118 Å²	118	43.5 Å²	43.5	55%	0.551	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.6	173.2	-61.2	-174.3	6.6	0	0	109.7	L167 E195	L167-Q209 HydrophobicContact CD1-CB 3.9Å; L167-Q209 HydrophobicContact CD1-CG 3.82Å; E195-Q209 HydrophobicContact CB-CG 3.96Å; E195-Q209 HydrophobicContact CG-CG 3.81Å; E195-Q209 WeakPolarHBondContact OE2-CG 3.49Å; E195-Q209 PolarHBondContact OE2-NE2 2.8Å
210	V	97.8	Very high	98.2	Very high	11 Å²	11	42.8 Å²	42.8	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.3	-170.7	-13.3	0	0	0	0	109.8	S193 V194 W208 P214 A215 L218	S193-V210 WeakPolarHBondContact CA-O 3.41Å; S193-V210 PolarHBondContact OG-O 3.5Å; S193-V210 VanDerWaalsContact OG-O 3.1Å; V194-V210 HydrophobicContact CG2-CG2 4.42Å; V194-V210 PolarHBondContact N-O 2.8Å; V194-V210 PolarHBondContact O-N 3.17Å; W208-V210 HydrophobicContact CD2-CB 4.5Å; W208-V210 HydrophobicContact CD2-CG1 3.23Å; W208-V210 HydrophobicContact CE3-CG1 3.53Å; W208-V210 HydrophobicContact CG-CG1 3.69Å; W208-V210 HydrophobicContact CH2-CB 4.42Å; W208-V210 HydrophobicContact CH2-CG1 3.83Å; W208-V210 HydrophobicContact CZ2-CB 4.08Å; W208-V210 HydrophobicContact CZ2-CG1 3.58Å; W208-V210 HydrophobicContact CZ3-CG1 3.8Å; V210-P214 HydrophobicContact CB-CB 4.32Å; V210-P214 VanDerWaalsContact CG2-C 3.45Å; V210-P214 HydrophobicContact CG2-CB 3.73Å; V210-A215 HydrophobicContact CG2-CB 3.54Å; V210-L218 HydrophobicContact CG1-CD1 3.81Å; V210-L218 HydrophobicContact CG2-CD1 3.98Å
211	S	97.9	Very high	98.3	Very high	68 Å²	68	42.4 Å²	42.4	48%	0.476	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	164.5	174.9	-57.8	0	0	0	0	110.7	L192 S193	L192-S211 CarbonylContact O-C 2.96Å; L192-S211 WeakPolarHBondContact O-CA 3.31Å; S193-S211 WeakPolarHBondContact CB-OG 3.3Å; S193-S211 PolarHBondContact OG-OG 3.34Å
212	G	96.8	Very high	98.3	Very high	15 Å²	15	40.2 Å²	40.2	16%	0.155	22%	0.22	C	C	.	.	S	Bend	trans	74.4	-139.3	176.3	0	0	0	0	0	112.8	R149 L192 A215 R216	R149-G212 CarbonylContact O-C 3.58Å; L192-G212 PolarHBondContact O-N 2.9Å; G212-A215 WeakPolarHBondContact O-CB 3.4Å; G212-A215 PolarHBondContact O-N 3.35Å; G212-R216 PolarHBondContact O-N 3.24Å
213	W	97.7	Very high	98.3	Very high	32 Å²	32	35.4 Å²	35.4	12%	0.121	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-41	-173.2	-163.8	-107	0	0	0	114.3	R149 G150 L151 F174 A215 R216 I217	R149-W213 HydrophobicContact CB-CE3 3.96Å; R149-W213 HydrophobicContact CG-CE3 4.21Å; R149-W213 HydrophobicContact CG-CZ3 4.33Å; R149-W213 PolarHBondContact O-N 2.91Å; G150-W213 PolarHBondContact O-N 3.34Å; L151-W213 HydrophobicContact CD2-CB 3.54Å; L151-W213 VanDerWaalsContact CD2-CD1 3.47Å; L151-W213 HydrophobicContact CD2-CD2 3.85Å; L151-W213 HydrophobicContact CD2-CG 3.33Å; F174-W213 HydrophobicContact CB-CZ3 4Å; F174-W213 HydrophobicContact CD2-CZ3 4.5Å; F174-W213 HydrophobicContact CG-CZ3 4.36Å; W213-A215 PolarHBondContact O-N 2.94Å; W213-R216 VanDerWaalsContact CZ3-CD 3.42Å; W213-R216 WeakPolarHBondContact O-CB 3.3Å; W213-R216 PolarHBondContact O-N 3.1Å; W213-R216 VanDerWaalsContact O-N 3.1Å; W213-I217 HydrophobicContact CG-CD1 4.5Å; W213-I217 WeakPolarHBondContact O-CG1 3.37Å; W213-I217 PolarHBondContact O-N 2.95Å
214	P	97.9	Very high	98.4	Very high	4 Å²	4	34 Å²	34	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-32.9	173.4	-25.7	36	0	0	0	113.5	T152 V154 W208 V210 R216 I217 L218	T152-P214 WeakPolarHBondContact OG1-CG 3.48Å; V154-P214 HydrophobicContact CG2-CB 4.01Å; V154-P214 HydrophobicContact CG2-CG 3.64Å; W208-P214 HydrophobicContact CH2-CB 3.94Å; W208-P214 HydrophobicContact CZ2-CB 4.41Å; V210-P214 HydrophobicContact CB-CB 4.32Å; V210-P214 VanDerWaalsContact CG2-C 3.45Å; V210-P214 HydrophobicContact CG2-CB 3.73Å; P214-R216 VanDerWaalsContact C-N 3.34Å; P214-I217 PolarHBondContact O-N 3.04Å; P214-L218 PolarHBondContact O-N 3.09Å
215	A	98.4	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.7	-38.3	178	0	0	0	0	0	110.7	V194 V210 G212 W213 Q219	V194-A215 HydrophobicContact CG2-CB 3.87Å; V210-A215 HydrophobicContact CG2-CB 3.54Å; G212-A215 WeakPolarHBondContact O-CB 3.4Å; G212-A215 PolarHBondContact O-N 3.35Å; W213-A215 PolarHBondContact O-N 2.94Å; A215-Q219 VanDerWaalsContact O-CG 3.31Å; A215-Q219 WeakPolarHBondContact O-CG 3.38Å; A215-Q219 PolarHBondContact O-N 2.77Å; A215-Q219 PolarHBondContact O-NE2 3.01Å
216	R	98.6	Very high	98.4	Very high	6 Å²	6	27 Å²	27	2%	0.023	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-47.4	173.7	166.9	170.1	-51.8	-96.7	1.4	111.8	V172 E176 V188 R190 G212 W213 P214 L218 Q219 H220	V172-R216 PolarHBondContact O-NH2 3Å; E176-R216 HydrophobicContact CG-CG 4.31Å; E176-R216 VanDerWaalsContact OE1-CD 3.32Å; E176-R216 WeakPolarHBondContact OE1-CD 3.5Å; E176-R216 VanDerWaalsContact OE1-CG 3.22Å; E176-R216 WeakPolarHBondContact OE1-CG 3.19Å; E176-R216 IonicContact OE1-CZ 3.77Å; E176-R216 IonicContact OE1-NE 3.05Å; E176-R216 IonicContact OE1-NH1 2.68Å; E176-R216 PolarHBondContact OE1-NH1 3.24Å; V188-R216 PolarHBondContact O-NH1 3.03Å; V188-R216 PolarHBondContact O-NH2 3.32Å; R190-R216 HydrophobicContact CB-CB 4.43Å; R190-R216 HydrophobicContact CG-CB 4.32Å; R190-R216 HydrophobicContact CG-CG 4.01Å; G212-R216 PolarHBondContact O-N 3.24Å; W213-R216 VanDerWaalsContact CZ3-CD 3.42Å; W213-R216 WeakPolarHBondContact O-CB 3.3Å; W213-R216 PolarHBondContact O-N 3.1Å; W213-R216 VanDerWaalsContact O-N 3.1Å; P214-R216 VanDerWaalsContact C-N 3.34Å; R216-L218 VanDerWaalsContact C-N 3.34Å; R216-L218 PolarHBondContact O-N 3.17Å; R216-Q219 PolarHBondContact O-N 3.1Å; R216-H220 PolarHBondContact O-N 2.91Å
217	I	98.5	Very high	98.4	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.046	14%	0.139	C	C	.	.	H	α-helix	trans	-57.4	-49.3	177	-62.4	165.5	0	0	0	109.7	V115 L131 F133 W213 P214 Q219 H220 E221	V115-I217 HydrophobicContact CB-CD1 3.81Å; V115-I217 HydrophobicContact CG2-CD1 3.52Å; V115-I217 HydrophobicContact CG2-CG1 3.72Å; V115-I217 HydrophobicContact CG2-CG2 4.42Å; L131-I217 HydrophobicContact CB-CG2 4.04Å; F133-I217 HydrophobicContact CD2-CD1 4.44Å; W213-I217 HydrophobicContact CG-CD1 4.5Å; W213-I217 WeakPolarHBondContact O-CG1 3.37Å; W213-I217 PolarHBondContact O-N 2.95Å; P214-I217 PolarHBondContact O-N 3.04Å; I217-Q219 PolarHBondContact O-N 3.31Å; I217-H220 WeakPolarHBondContact O-CB 3.35Å; I217-H220 PolarHBondContact O-N 3.48Å; I217-H220 VanDerWaalsContact O-N 3.12Å; I217-E221 HydrophobicContact CG2-CG 4.24Å; I217-E221 WeakPolarHBondContact O-CG 3.26Å; I217-E221 PolarHBondContact O-N 3.02Å
218	L	98.6	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.9	-46.6	177.9	-82.5	171.6	0	0	0	113	L129 L131 F159 L164 V194 V196 W208 V210 P214 R216 H220 E221 M222	L129-L218 HydrophobicContact CD1-CD2 4.22Å; L131-L218 HydrophobicContact CD2-CD2 3.3Å; L131-L218 HydrophobicContact CD2-CG 3.93Å; F159-L218 HydrophobicContact CE2-CD2 4.42Å; L164-L218 HydrophobicContact CD1-CB 4.45Å; V194-L218 HydrophobicContact CG2-CB 4.41Å; V194-L218 HydrophobicContact CG2-CD1 4.2Å; V196-L218 HydrophobicContact CB-CD1 4.15Å; V196-L218 HydrophobicContact CB-CD2 4.2Å; V196-L218 HydrophobicContact CG1-CD1 3.58Å; V196-L218 HydrophobicContact CG1-CD2 3.83Å; V196-L218 HydrophobicContact CG1-CG 4.38Å; V196-L218 HydrophobicContact CG2-CD2 4.28Å; W208-L218 HydrophobicContact CE3-CD1 3.92Å; W208-L218 HydrophobicContact CZ3-CD1 3.81Å; W208-L218 HydrophobicContact CZ3-CG 4.27Å; V210-L218 HydrophobicContact CG1-CD1 3.81Å; V210-L218 HydrophobicContact CG2-CD1 3.98Å; P214-L218 PolarHBondContact O-N 3.09Å; R216-L218 VanDerWaalsContact C-N 3.34Å; R216-L218 PolarHBondContact O-N 3.17Å; L218-H220 VanDerWaalsContact C-N 3.3Å; L218-H220 PolarHBondContact O-N 3.4Å; L218-E221 PolarHBondContact O-N 2.91Å; L218-M222 VanDerWaalsContact O-CB 3.25Å; L218-M222 WeakPolarHBondContact O-CB 3.33Å; L218-M222 WeakPolarHBondContact O-CG 3.17Å; L218-M222 PolarHBondContact O-N 2.95Å
219	Q	98.8	Very high	98.4	Very high	14 Å²	14	20.9 Å²	20.9	7%	0.065	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-38.4	177.7	-73.2	166.5	80	0	0	112.1	L164 Y191 V194 A215 R216 I217 D223	L164-Q219 HydrophobicContact CD1-CG 3.9Å; Y191-Q219 PolarHBondContact O-NE2 3.35Å; V194-Q219 HydrophobicContact CG1-CG 4Å; A215-Q219 VanDerWaalsContact O-CG 3.31Å; A215-Q219 WeakPolarHBondContact O-CG 3.38Å; A215-Q219 PolarHBondContact O-N 2.77Å; A215-Q219 PolarHBondContact O-NE2 3.01Å; R216-Q219 PolarHBondContact O-N 3.1Å; I217-Q219 PolarHBondContact O-N 3.31Å; Q219-D223 PolarHBondContact O-N 3.1Å
220	H	98.8	Very high	98.4	Very high	14 Å²	14	15.3 Å²	15.3	7%	0.065	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-49.1	175.7	-172.7	105.9	0	0	0	111.7	E176 C178 R216 I217 L218 M222 D223 H224	E176-H220 IonicContact OE2-ND1 2.84Å; E176-H220 PolarHBondContact OE2-ND1 2.82Å; C178-H220 PolarHBondContact SG-NE2 2.72Å; C178-H220 VanDerWaalsContact SG-NE2 3.42Å; R216-H220 PolarHBondContact O-N 2.91Å; I217-H220 WeakPolarHBondContact O-CB 3.35Å; I217-H220 PolarHBondContact O-N 3.48Å; I217-H220 VanDerWaalsContact O-N 3.12Å; L218-H220 VanDerWaalsContact C-N 3.3Å; L218-H220 PolarHBondContact O-N 3.4Å; H220-M222 VanDerWaalsContact C-N 3.34Å; H220-M222 PolarHBondContact O-N 2.84Å; H220-D223 WeakPolarHBondContact O-CB 3.43Å; H220-D223 PolarHBondContact O-N 2.91Å; H220-H224 AromaticContact CD2-CD2 3.63Å; H220-H224 AromaticContact CD2-NE2 3.44Å; H220-H224 PolarHBondContact CD2-NE2 3.06Å; H220-H224 AromaticContact NE2-CD2 3.82Å; H220-H224 AromaticContact NE2-NE2 3.12Å; H220-H224 PolarHBondContact NE2-NE2 3.32Å; H220-H224 VanDerWaalsContact NE2-NE2 3.12Å; H220-H224 PolarHBondContact O-CD2 2.97Å; H220-H224 PolarHBondContact O-N 3.4Å
221	E	98.8	Very high	98.5	Very high	9 Å²	9	17 Å²	17	4%	0.042	10%	0.098	C	C	.	.	H	α-helix	trans	-69.5	-32.2	-179.9	-59.9	-45.1	138.7	0	0	112.7	G116 L117 S118 Q121 L129 I217 L218 H224	G116-E221 VanDerWaalsContact C-CD 3.47Å; G116-E221 VanDerWaalsContact C-OE1 3.26Å; G116-E221 WeakPolarHBondContact CA-OE1 3.22Å; L117-E221 WeakPolarHBondContact CA-OE2 3.16Å; L117-E221 PolarHBondContact N-OE2 3.02Å; S118-E221 PolarHBondContact N-OE2 3.37Å; S118-E221 VanDerWaalsContact N-OE2 3.16Å; Q121-E221 PolarHBondContact OE1-OE2 3.23Å; L129-E221 HydrophobicContact CB-CB 3.91Å; L129-E221 HydrophobicContact CD2-CB 3.89Å; L129-E221 HydrophobicContact CG-CB 4.35Å; I217-E221 HydrophobicContact CG2-CG 4.24Å; I217-E221 WeakPolarHBondContact O-CG 3.26Å; I217-E221 PolarHBondContact O-N 3.02Å; L218-E221 PolarHBondContact O-N 2.91Å; E221-H224 PolarHBondContact O-N 2.99Å; E221-H224 IonicContact OE2-CD2 2.72Å
222	M	98.8	Very high	98.5	Very high	15 Å²	15	17.6 Å²	17.6	7%	0.074	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-41.4	172.6	-77.8	-63.8	-58.8	0	0	112.3	L129 P162 L164 L218 H220 H224 L225	L129-M222 HydrophobicContact CD2-CG 4.02Å; L129-M222 HydrophobicContact CD2-SD 3.68Å; P162-M222 HydrophobicContact CB-CE 4.42Å; P162-M222 HydrophobicContact CB-SD 3.52Å; P162-M222 VanDerWaalsContact CB-SD 3.52Å; P162-M222 HydrophobicContact CG-CE 4.38Å; P162-M222 HydrophobicContact CG-SD 3.41Å; P162-M222 WeakPolarHBondContact CG-SD 3.18Å; L164-M222 HydrophobicContact CB-CE 4.03Å; L164-M222 HydrophobicContact CB-CG 4.14Å; L164-M222 HydrophobicContact CD1-CB 4.33Å; L164-M222 HydrophobicContact CD1-CG 3.75Å; L218-M222 VanDerWaalsContact O-CB 3.25Å; L218-M222 WeakPolarHBondContact O-CB 3.33Å; L218-M222 WeakPolarHBondContact O-CG 3.17Å; L218-M222 PolarHBondContact O-N 2.95Å; H220-M222 VanDerWaalsContact C-N 3.34Å; H220-M222 PolarHBondContact O-N 2.84Å; M222-H224 VanDerWaalsContact C-N 3.29Å; M222-H224 PolarHBondContact O-N 3.42Å; M222-L225 WeakPolarHBondContact O-CB 3.36Å; M222-L225 PolarHBondContact O-N 3.19Å; M222-L225 VanDerWaalsContact O-N 3.11Å; M222-L225 HydrophobicContact SD-CD1 4.3Å
223	D	98.9	Very high	98.6	Very high	14 Å²	14	22.6 Å²	22.6	8%	0.075	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-41.1	177	-83.5	-22.2	0	0	0	111.6	R190 Q219 H220 L225 D226 G227 V228 R233	R190-D223 IonicContact CZ-OD2 3.21Å; R190-D223 IonicContact NH1-OD2 3.77Å; R190-D223 PolarHBondContact NH1-OD2 2.86Å; R190-D223 IonicContact NH2-OD2 2.68Å; R190-D223 PolarHBondContact NH2-OD2 3.15Å; Q219-D223 PolarHBondContact O-N 3.1Å; H220-D223 WeakPolarHBondContact O-CB 3.43Å; H220-D223 PolarHBondContact O-N 2.91Å; D223-L225 PolarHBondContact O-N 2.99Å; D223-D226 CarbonylContact O-C 3.57Å; D223-D226 WeakPolarHBondContact O-CA 3.29Å; D223-D226 PolarHBondContact O-N 2.85Å; D223-G227 PolarHBondContact O-N 2.8Å; D223-G227 VanDerWaalsContact O-N 3.17Å; D223-V228 CarbonylContact C-O 3.45Å; D223-V228 VanDerWaalsContact C-O 3.22Å; D223-V228 HydrophobicContact CB-CB 3.83Å; D223-V228 HydrophobicContact CB-CG1 4.03Å; D223-V228 PolarHBondContact O-N 3.2Å; D223-R233 VanDerWaalsContact CG-NE 3.34Å; D223-R233 IonicContact OD1-CZ 2.89Å; D223-R233 IonicContact OD1-NE 3.6Å; D223-R233 PolarHBondContact OD1-NE 3.5Å; D223-R233 VanDerWaalsContact OD1-NE 3.16Å; D223-R233 IonicContact OD1-NH2 3.51Å; D223-R233 PolarHBondContact OD1-NH2 3.16Å; D223-R233 WeakPolarHBondContact OD2-CD 3.29Å; D223-R233 IonicContact OD2-CZ 3.22Å; D223-R233 IonicContact OD2-NE 2.85Å; D223-R233 PolarHBondContact OD2-NE 2.92Å; D223-R233 IonicContact OD2-NH2 3.24Å
224	H	98.8	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-35.1	176.6	-78.4	-72.6	0	0	0	112.9	S118 C178 H220 E221 M222 D226 G227 V228 L229	S118-H224 WeakPolarHBondContact OG-CB 3.2Å; C178-H224 PolarHBondContact SG-CE1 3.47Å; C178-H224 PolarHBondContact SG-NE2 3.04Å; C178-H224 VanDerWaalsContact SG-NE2 3.43Å; H220-H224 AromaticContact CD2-CD2 3.63Å; H220-H224 AromaticContact CD2-NE2 3.44Å; H220-H224 PolarHBondContact CD2-NE2 3.06Å; H220-H224 AromaticContact NE2-CD2 3.82Å; H220-H224 AromaticContact NE2-NE2 3.12Å; H220-H224 PolarHBondContact NE2-NE2 3.32Å; H220-H224 VanDerWaalsContact NE2-NE2 3.12Å; H220-H224 PolarHBondContact O-CD2 2.97Å; H220-H224 PolarHBondContact O-N 3.4Å; E221-H224 PolarHBondContact O-N 2.99Å; E221-H224 IonicContact OE2-CD2 2.72Å; M222-H224 VanDerWaalsContact C-N 3.29Å; M222-H224 PolarHBondContact O-N 3.42Å; H224-D226 PolarHBondContact O-N 2.84Å; H224-G227 PolarHBondContact O-N 2.8Å; H224-V228 PolarHBondContact N-O 2.95Å; H224-L229 VanDerWaalsContact CE1-CD2 3.42Å; H224-L229 WeakPolarHBondContact CE1-CD2 3.48Å; H224-L229 WeakPolarHBondContact ND1-CD2 3.38Å
225	L	98.9	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.1	-18.6	177.7	-57	-171.8	0	0	0	112.9	A85 P120 R127 L129 P162 M222 D223	A85-L225 HydrophobicContact CB-CB 4.49Å; A85-L225 HydrophobicContact CB-CD2 4.49Å; A85-L225 WeakPolarHBondContact CB-O 3.38Å; A85-L225 PolarHBondContact N-O 2.99Å; P120-L225 HydrophobicContact CG-CD2 4.2Å; R127-L225 HydrophobicContact CB-CD1 4.13Å; R127-L225 HydrophobicContact CG-CD1 4.5Å; R127-L225 PolarHBondContact NH1-O 3.18Å; R127-L225 VanDerWaalsContact NH1-O 3.13Å; L129-L225 HydrophobicContact CD2-CD1 4.04Å; P162-L225 HydrophobicContact CG-CD1 3.46Å; P162-L225 VanDerWaalsContact CG-CD1 3.46Å; M222-L225 WeakPolarHBondContact O-CB 3.36Å; M222-L225 PolarHBondContact O-N 3.19Å; M222-L225 VanDerWaalsContact O-N 3.11Å; M222-L225 HydrophobicContact SD-CD1 4.3Å; D223-L225 PolarHBondContact O-N 2.99Å
226	D	98.8	Very high	98.6	Very high	64 Å²	64	30.6 Å²	30.6	34%	0.342	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	10.2	177.9	-65.1	-42.2	0	0	0	112.7	K84 R127 D223 H224 V228	K84-D226 WeakPolarHBondContact CE-OD1 3.28Å; R127-D226 IonicContact CZ-OD1 3.44Å; R127-D226 IonicContact NH1-OD1 3.42Å; R127-D226 PolarHBondContact NH1-OD1 3.26Å; R127-D226 IonicContact NH2-OD1 3.49Å; R127-D226 IonicContact NH2-OD2 3.62Å; D223-D226 CarbonylContact O-C 3.57Å; D223-D226 WeakPolarHBondContact O-CA 3.29Å; D223-D226 PolarHBondContact O-N 2.85Å; H224-D226 PolarHBondContact O-N 2.84Å; D226-V228 VanDerWaalsContact C-N 3.3Å
227	G	98.6	Very high	98.5	Very high	7 Å²	7	39.4 Å²	39.4	7%	0.072	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	18	177.8	0	0	0	0	0	114.4	L81 R82 D223 H224	L81-G227 CarbonylContact O-C 3.59Å; L81-G227 WeakPolarHBondContact O-CA 3.13Å; R82-G227 WeakPolarHBondContact CD-O 3.46Å; R82-G227 PolarHBondContact NH1-O 3.03Å; D223-G227 PolarHBondContact O-N 2.8Å; D223-G227 VanDerWaalsContact O-N 3.17Å; H224-G227 PolarHBondContact O-N 2.8Å
228	V	98.8	Very high	98.4	Very high	36 Å²	36	40.5 Å²	40.5	22%	0.218	21%	0.206	C	C	.	.			trans	-100.5	135.3	-179.3	179.4	0	0	0	0	109.2	D223 H224 D226 D232 R233	D223-V228 CarbonylContact C-O 3.45Å; D223-V228 VanDerWaalsContact C-O 3.22Å; D223-V228 HydrophobicContact CB-CB 3.83Å; D223-V228 HydrophobicContact CB-CG1 4.03Å; D223-V228 PolarHBondContact O-N 3.2Å; H224-V228 PolarHBondContact N-O 2.95Å; D226-V228 VanDerWaalsContact C-N 3.3Å; V228-D232 HydrophobicContact CG1-CB 4.25Å; V228-R233 HydrophobicContact CG1-CG 4.48Å
229	L	98.8	Very high	98.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.222	C	C	.	.			trans	-113	158.2	176.1	-60.2	179.4	0	0	0	109.6	V76 I181 H224 I231 D232	V76-L229 HydrophobicContact CB-CD1 4.23Å; V76-L229 HydrophobicContact CG2-CD1 3.77Å; I181-L229 HydrophobicContact CD1-CB 4.28Å; I181-L229 HydrophobicContact CD1-CD1 4.18Å; H224-L229 VanDerWaalsContact CE1-CD2 3.42Å; H224-L229 WeakPolarHBondContact CE1-CD2 3.48Å; H224-L229 WeakPolarHBondContact ND1-CD2 3.38Å; L229-I231 HydrophobicContact CB-CG1 3.8Å; L229-I231 HydrophobicContact CD1-CD1 4.41Å; L229-I231 PolarHBondContact O-N 3.31Å; L229-D232 PolarHBondContact N-OD2 2.92Å; L229-D232 WeakPolarHBondContact O-CB 3.23Å; L229-D232 PolarHBondContact O-N 2.79Å
230	Y	98.6	Very high	98.3	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58.3	-28.6	-178.9	85.5	-96.1	0	0	0	113	C178 I181 F184 A186 V188 D232 R233 M234	C178-Y230 HydrophobicContact CB-CD1 3.63Å; C178-Y230 HydrophobicContact CB-CE1 3.72Å; I181-Y230 HydrophobicContact CB-CE1 3.96Å; I181-Y230 HydrophobicContact CD1-CD1 3.95Å; I181-Y230 HydrophobicContact CD1-CE1 3.62Å; I181-Y230 HydrophobicContact CG1-CE1 4.19Å; I181-Y230 HydrophobicContact CG2-CE1 4.37Å; F184-Y230 PolarHBondContact O-OH 2.98Å; F184-Y230 VanDerWaalsContact O-OH 3.11Å; A186-Y230 HydrophobicContact CB-CD2 4.37Å; A186-Y230 HydrophobicContact CB-CE2 3.81Å; V188-Y230 HydrophobicContact CG2-CD2 3.88Å; V188-Y230 HydrophobicContact CG2-CG 4.43Å; Y230-D232 PolarHBondContact O-N 2.71Å; Y230-R233 PolarHBondContact O-N 3.06Å; Y230-M234 HydrophobicContact CD2-CB 4.33Å; Y230-M234 HydrophobicContact CD2-SD 4.47Å; Y230-M234 HydrophobicContact CE2-SD 4.08Å; Y230-M234 WeakPolarHBondContact O-CB 3.29Å; Y230-M234 PolarHBondContact O-N 3.02Å
231	I	98.5	Very high	98.1	Very high	47 Å²	47	49.3 Å²	49.3	24%	0.241	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-64	-17.2	176.5	56.1	168	0	0	0	113.7	V76 I181 L229 R233 M234 F239	V76-I231 HydrophobicContact CG2-CD1 4.34Å; I181-I231 HydrophobicContact CD1-CB 4.24Å; I181-I231 HydrophobicContact CD1-CD1 3.77Å; I181-I231 HydrophobicContact CD1-CG1 3.75Å; I181-I231 HydrophobicContact CD1-CG2 3.52Å; L229-I231 HydrophobicContact CB-CG1 3.8Å; L229-I231 HydrophobicContact CD1-CD1 4.41Å; L229-I231 PolarHBondContact O-N 3.31Å; I231-R233 VanDerWaalsContact C-N 3.34Å; I231-M234 HydrophobicContact CB-CE 4.03Å; I231-M234 HydrophobicContact CB-SD 4.19Å; I231-M234 HydrophobicContact CG2-CE 4.04Å; I231-M234 HydrophobicContact CG2-SD 3.91Å; I231-F239 HydrophobicContact CG2-CE2 4.13Å
232	D	98.4	Very high	97.7	Very high	80 Å²	80	51.9 Å²	51.9	43%	0.428	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-84.4	-13.2	174.9	-46.7	-42.6	0	0	0	112.1	R82 V228 L229 Y230	R82-D232 IonicContact CZ-OD1 2.92Å; R82-D232 IonicContact CZ-OD2 2.77Å; R82-D232 VanDerWaalsContact NH1-CG 3.34Å; R82-D232 IonicContact NH1-OD1 3.76Å; R82-D232 PolarHBondContact NH1-OD1 3.28Å; R82-D232 IonicContact NH1-OD2 3.78Å; R82-D232 PolarHBondContact NH1-OD2 3.01Å; R82-D232 IonicContact NH2-OD1 3.82Å; R82-D232 PolarHBondContact NH2-OD1 3.02Å; R82-D232 IonicContact NH2-OD2 3.74Å; V228-D232 HydrophobicContact CG1-CB 4.25Å; L229-D232 PolarHBondContact N-OD2 2.92Å; L229-D232 WeakPolarHBondContact O-CB 3.23Å; L229-D232 PolarHBondContact O-N 2.79Å; Y230-D232 PolarHBondContact O-N 2.71Å
233	R	97.9	Very high	97	Very high	120 Å²	120	55.7 Å²	55.7	45%	0.453	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-13.7	-176.8	-61.8	-173.6	-179.5	-78.9	4	114.1	V188 P189 D223 V228 Y230 I231	V188-R233 HydrophobicContact CG1-CB 4Å; P189-R233 WeakPolarHBondContact CD-O 3.41Å; D223-R233 VanDerWaalsContact CG-NE 3.34Å; D223-R233 IonicContact OD1-CZ 2.89Å; D223-R233 IonicContact OD1-NE 3.6Å; D223-R233 PolarHBondContact OD1-NE 3.5Å; D223-R233 VanDerWaalsContact OD1-NE 3.16Å; D223-R233 IonicContact OD1-NH2 3.51Å; D223-R233 PolarHBondContact OD1-NH2 3.16Å; D223-R233 WeakPolarHBondContact OD2-CD 3.29Å; D223-R233 IonicContact OD2-CZ 3.22Å; D223-R233 IonicContact OD2-NE 2.85Å; D223-R233 PolarHBondContact OD2-NE 2.92Å; D223-R233 IonicContact OD2-NH2 3.24Å; V228-R233 HydrophobicContact CG1-CG 4.48Å; Y230-R233 PolarHBondContact O-N 3.06Å; I231-R233 VanDerWaalsContact C-N 3.34Å
234	M	98.2	Very high	96	Very high	42 Å²	42	63.5 Å²	63.5	21%	0.207	32%	0.315	C	S	.	.	S	Bend	trans	-67.5	155.8	-172.4	68.2	179.8	179.4	0	0	113.7	A186 T187 V188 Y230 I231 S236 F239	A186-M234 HydrophobicContact CB-CB 3.6Å; A186-M234 HydrophobicContact CB-CG 4.04Å; A186-M234 HydrophobicContact CB-SD 3.39Å; A186-M234 WeakPolarHBondContact CB-SD 3.29Å; T187-M234 CarbonylContact O-C 3.59Å; T187-M234 WeakPolarHBondContact O-CA 3.44Å; V188-M234 HydrophobicContact CG2-CB 4.01Å; Y230-M234 HydrophobicContact CD2-CB 4.33Å; Y230-M234 HydrophobicContact CD2-SD 4.47Å; Y230-M234 HydrophobicContact CE2-SD 4.08Å; Y230-M234 WeakPolarHBondContact O-CB 3.29Å; Y230-M234 PolarHBondContact O-N 3.02Å; I231-M234 HydrophobicContact CB-CE 4.03Å; I231-M234 HydrophobicContact CB-SD 4.19Å; I231-M234 HydrophobicContact CG2-CE 4.04Å; I231-M234 HydrophobicContact CG2-SD 3.91Å; M234-S236 PolarHBondContact O-N 3.43Å; M234-F239 HydrophobicContact CE-CB 4.11Å; M234-F239 HydrophobicContact CE-CD2 3.85Å; M234-F239 HydrophobicContact CE-CE2 4.49Å; M234-F239 HydrophobicContact CE-CG 4.05Å; M234-F239 HydrophobicContact SD-CB 4.03Å; M234-F239 HydrophobicContact SD-CD2 3.55Å; M234-F239 VanDerWaalsContact SD-CD2 3.55Å; M234-F239 HydrophobicContact SD-CE2 4.36Å; M234-F239 HydrophobicContact SD-CG 4.12Å
235	D	98.3	Very high	94.6	Very high	77 Å²	77	65 Å²	65	41%	0.412	33%	0.328	S	S	.	.			trans	-71.6	104.5	155.1	-180	-2.2	0	0	0	108.7	T187 K237 T238	T187-D235 PolarHBondContact O-N 3.17Å; D235-K237 PolarHBondContact O-N 3.14Å; D235-K237 VanDerWaalsContact O-N 3.12Å; D235-K237 WeakPolarHBondContact OD1-CB 3.28Å; D235-K237 PolarHBondContact OD1-N 2.99Å; D235-K237 VanDerWaalsContact OD1-N 3.11Å; D235-T238 HydrophobicContact CB-CG2 4.12Å; D235-T238 PolarHBondContact O-N 3.31Å; D235-T238 PolarHBondContact O-OG1 3.48Å
236	S	97.7	Very high	92.9	Very high	85 Å²	85	67 Å²	67	59%	0.594	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-59.9	-24.5	-174.9	61.1	0	0	0	0	113.8	M234 T238 F239	M234-S236 PolarHBondContact O-N 3.43Å; S236-T238 PolarHBondContact O-N 3.49Å; S236-F239 WeakPolarHBondContact O-CB 3.4Å; S236-F239 PolarHBondContact O-N 3.31Å
237	K	97.5	Very high	91.4	Very high	191 Å²	191	72 Å²	72	83%	0.83	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-70.4	-14.8	176.4	-63.7	-178.8	-178.3	176.9	0	113	D235	D235-K237 PolarHBondContact O-N 3.14Å; D235-K237 VanDerWaalsContact O-N 3.12Å; D235-K237 WeakPolarHBondContact OD1-CB 3.28Å; D235-K237 PolarHBondContact OD1-N 2.99Å; D235-K237 VanDerWaalsContact OD1-N 3.11Å
238	T	96.9	Very high	89.7	Confident	33 Å²	33	76.5 Å²	76.5	20%	0.202	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-103.6	6.3	-179.5	69.8	0	0	0	0	112.9	Q175 T187 D235 S236 I240	Q175-T238 PolarHBondContact NE2-O 3.33Å; T187-T238 VanDerWaalsContact CB-OG1 3.26Å; T187-T238 WeakPolarHBondContact CB-OG1 3.05Å; T187-T238 PolarHBondContact N-OG1 3.22Å; T187-T238 PolarHBondContact OG1-OG1 2.88Å; D235-T238 HydrophobicContact CB-CG2 4.12Å; D235-T238 PolarHBondContact O-N 3.31Å; D235-T238 PolarHBondContact O-OG1 3.48Å; S236-T238 PolarHBondContact O-N 3.49Å; T238-I240 PolarHBondContact O-N 2.9Å
239	F	97.6	Very high	87.4	Confident	76 Å²	76	83.7 Å²	83.7	33%	0.333	42%	0.417	S	S	.	.			trans	-72.2	115.7	177.1	-174.8	-106.4	0	0	0	110.3	F184 S185 A186 I231 M234 S236	F184-F239 HydrophobicContact CB-CD2 4.41Å; F184-F239 HydrophobicContact CB-CE1 4.4Å; F184-F239 HydrophobicContact CB-CE2 3.5Å; F184-F239 VanDerWaalsContact CB-CE2 3.5Å; F184-F239 HydrophobicContact CB-CZ 3.49Å; F184-F239 VanDerWaalsContact CB-CZ 3.49Å; F184-F239 HydrophobicContact CD1-CD1 4.32Å; F184-F239 AromaticContact CD1-CE1 3.47Å; F184-F239 HydrophobicContact CD1-CE1 3.47Å; F184-F239 VanDerWaalsContact CD1-CE1 3.47Å; F184-F239 HydrophobicContact CD1-CE2 4.14Å; F184-F239 AromaticContact CD1-CZ 3.37Å; F184-F239 HydrophobicContact CD1-CZ 3.37Å; F184-F239 HydrophobicContact CD2-CZ 4.23Å; F184-F239 AromaticContact CE1-CE1 3.92Å; F184-F239 HydrophobicContact CE1-CE1 3.92Å; F184-F239 HydrophobicContact CE1-CZ 4.12Å; F184-F239 HydrophobicContact CG-CE1 4.05Å; F184-F239 HydrophobicContact CG-CE2 4Å; F184-F239 AromaticContact CG-CZ 3.43Å; F184-F239 HydrophobicContact CG-CZ 3.43Å; F184-F239 VanDerWaalsContact CG-CZ 3.43Å; S185-F239 WeakPolarHBondContact O-CA 3.26Å; A186-F239 HydrophobicContact CB-CB 4.23Å; A186-F239 HydrophobicContact CB-CD2 4.12Å; I231-F239 HydrophobicContact CG2-CE2 4.13Å; M234-F239 HydrophobicContact CE-CB 4.11Å; M234-F239 HydrophobicContact CE-CD2 3.85Å; M234-F239 HydrophobicContact CE-CE2 4.49Å; M234-F239 HydrophobicContact CE-CG 4.05Å; M234-F239 HydrophobicContact SD-CB 4.03Å; M234-F239 HydrophobicContact SD-CD2 3.55Å; M234-F239 VanDerWaalsContact SD-CD2 3.55Å; M234-F239 HydrophobicContact SD-CE2 4.36Å; M234-F239 HydrophobicContact SD-CG 4.12Å; S236-F239 WeakPolarHBondContact O-CB 3.4Å; S236-F239 PolarHBondContact O-N 3.31Å
240	I	95.7	Very high	86.8	Confident	85 Å²	85	87.8 Å²	87.8	44%	0.436	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.6	-172.8	60	170.2	0	0	0	111.3	F184 S185 T238	F184-I240 VanDerWaalsContact CA-O 3.3Å; F184-I240 WeakPolarHBondContact CA-O 3.32Å; S185-I240 PolarHBondContact N-O 2.76Å; S185-I240 PolarHBondContact O-N 2.8Å; S185-I240 WeakPolarHBondContact OG-CG1 3.4Å; T238-I240 PolarHBondContact O-N 2.9Å
241	N	95.3	Very high	86.2	Confident	52 Å²	52	92.4 Å²	92.4	28%	0.278	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.6	166.3	-171.4	-81.4	0	0	0	109.1	G183 F184 N243 W244	G183-N241 WeakPolarHBondContact O-CA 3.38Å; G183-N241 PolarHBondContact O-ND2 3.43Å; F184-N241 HydrophobicContact CD1-CB 4.36Å; F184-N241 HydrophobicContact CE1-CB 4.19Å; N241-N243 PolarHBondContact O-N 3.07Å; N241-N243 VanDerWaalsContact OD1-CB 3.29Å; N241-N243 WeakPolarHBondContact OD1-CB 3.49Å; N241-N243 PolarHBondContact OD1-N 3.06Å; N241-W244 HydrophobicContact CB-CB 4.36Å; N241-W244 WeakPolarHBondContact O-CB 3.37Å; N241-W244 PolarHBondContact O-N 3.33Å
242	V	89.7	Confident	85.5	Confident	63 Å²	63	94.9 Å²	94.9	38%	0.382	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.2	-176	-58.8	0	0	0	0	112.9	G183 W244	G183-V242 PolarHBondContact O-N 2.86Å; V242-W244 VanDerWaalsContact C-N 3.28Å; V242-W244 PolarHBondContact O-N 3.02Å
243	N	85.8	Confident	84.8	Confident	95 Å²	95	95.8 Å²	95.8	51%	0.508	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.7	177.1	-55.6	-54	0	0	0	113	N241 A245 A246	N241-N243 PolarHBondContact O-N 3.07Å; N241-N243 VanDerWaalsContact OD1-CB 3.29Å; N241-N243 WeakPolarHBondContact OD1-CB 3.49Å; N241-N243 PolarHBondContact OD1-N 3.06Å; N243-A245 PolarHBondContact O-N 2.9Å; N243-A246 PolarHBondContact O-N 3.42Å
244	W	77.8	Confident	84	Confident	177 Å²	177	94.3 Å²	94.3	67%	0.67	48%	0.477	S	S	*	.	S	Bend	trans	-66.8	-37.3	-174.7	-149.5	84.6	0	0	0	112	N241 V242 K247 N248	N241-W244 HydrophobicContact CB-CB 4.36Å; N241-W244 WeakPolarHBondContact O-CB 3.37Å; N241-W244 PolarHBondContact O-N 3.33Å; V242-W244 VanDerWaalsContact C-N 3.28Å; V242-W244 PolarHBondContact O-N 3.02Å; W244-K247 PolarHBondContact O-N 3.35Å; W244-N248 WeakPolarHBondContact CH2-ND2 3.44Å; W244-N248 WeakPolarHBondContact CZ2-ND2 3.34Å; W244-N248 VanDerWaalsContact CZ3-ND2 3.32Å; W244-N248 WeakPolarHBondContact CZ3-ND2 3.43Å; W244-N248 PolarHBondContact O-ND2 2.77Å
245	A	67.8	Low	83	Confident	33 Å²	33	97.7 Å²	97.7	27%	0.273	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-64.8	-40.1	175.4	0	0	0	0	0	112.1	V5 N243 K247	V5-A245 HydrophobicContact CB-CB 3.96Å; V5-A245 HydrophobicContact CG2-CB 4.19Å; N243-A245 PolarHBondContact O-N 2.9Å; A245-K247 PolarHBondContact O-N 3.15Å; A245-K247 VanDerWaalsContact O-N 3.15Å
246	A	64.9	Low	81.9	Confident	43 Å²	43	99.2 Å²	99.2	36%	0.355	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-70.5	-9.1	-178.2	0	0	0	0	0	114.8	S7 N243	S7-A246 WeakPolarHBondContact OG-CB 3.35Å; N243-A246 PolarHBondContact O-N 3.42Å
247	K	67.2	Low	80.7	Confident	168 Å²	168	100.3 Å²	100.3	73%	0.73	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-111.4	-15.1	-176.3	-67.7	-61.7	-175.8	-171.4	0	114.4	W244 A245	W244-K247 PolarHBondContact O-N 3.35Å; A245-K247 PolarHBondContact O-N 3.15Å; A245-K247 VanDerWaalsContact O-N 3.15Å
248	N	62.2	Low	79.3	Confident	102 Å²	102	92.8 Å²	92.8	55%	0.545	47%	0.465	S	S	.	.			trans	-115	10.6	-173.1	-68.1	-33.9	0	0	0	113.3	W244	W244-N248 WeakPolarHBondContact CH2-ND2 3.44Å; W244-N248 WeakPolarHBondContact CZ2-ND2 3.34Å; W244-N248 VanDerWaalsContact CZ3-ND2 3.32Å; W244-N248 WeakPolarHBondContact CZ3-ND2 3.43Å; W244-N248 PolarHBondContact O-ND2 2.77Å
249	E	50.9	Low	77.7	Confident	186 Å²	186	98.2 Å²	98.2	87%	0.869	49%	0.489	S	S	*	.			trans	-92.5	0	163.9	-68.5	-179.3	-179.7	0	0	110.1

Retrieved 249 of 249 residues in 1286 ms (Link to these results)

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