A0A096NLZ6_PAPAN Loading...

Glycine amidinotransferase

Transamidinase that catalyzes the transfer of the amidino group of L-arginine onto the amino moiety of acceptor metabolites such as glycine, beta-alanine, gamma-aminobutyric acid (GABA) and taurine yielding the corresponding guanidine derivatives. Catalyzes the rate-limiting step of creatine biosynthesis, namely the transfer of the amidino group from L-arginine to glycine to generate guanidinoacetate, which is then methylated by GAMT to form creatine. Provides creatine as a source for ATP generation in tissues with high energy demands, in particular skeletal muscle, heart and brain.

AlphaFold DB , UniProt , Accession A0A096NLZ6, Species PAPAN (Papio anubis, Olive baboon), Gene GATM, Length 423 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	41.1	Very low	33.8	Very low	249 Å²	249	166.8 Å²	166.8	100%	1.227	89%	0.885	S	S	*	*				0	108.9	0	-146.2	-179.4	-83.8	0	0	107.2
2	L	34.9	Very low	33.8	Very low	162 Å²	162	174.7 Å²	174.7	85%	0.848	89%	0.893	S	S	*	*			trans	-75.7	137.6	178.8	-95.7	142.1	0	0	0	110.3
3	R	29.3	Very low	33.6	Very low	250 Å²	250	166.8 Å²	166.8	94%	0.943	88%	0.882	S	S	*	*				-174.7	140.9	126.4	-104.4	173.2	-177.2	-172.3	1.5	113.5
4	V	36.3	Very low	33.5	Very low	126 Å²	126	162.2 Å²	162.2	76%	0.764	88%	0.88	S	S	*	*			trans	-106.3	161.3	179.6	175.8	0	0	0	0	109.3
5	R	36.8	Very low	33.3	Very low	233 Å²	233	164.6 Å²	164.6	88%	0.879	88%	0.883	S	S	*	*			trans	112.9	142.5	157.1	-67.5	-173.5	173.2	-179.4	-2.3	113.3
6	C	32.1	Very low	33.1	Very low	121 Å²	121	159.6 Å²	159.6	82%	0.818	87%	0.871	S	S	*	*			cis	-163.3	167.5	3.6	-136.5	0	0	0	0	109.9
7	L	38.2	Very low	33.1	Very low	168 Å²	168	158.9 Å²	158.9	88%	0.88	87%	0.872	S	S	*	*			trans	-72	158.4	176.9	-83.6	136.4	0	0	0	116.3
8	R	31.6	Very low	33	Very low	252 Å²	252	158.4 Å²	158.4	95%	0.951	86%	0.863	S	S	*	*			trans	169.4	139	137.8	-94.6	172.4	-179.1	-165.5	0.3	107.2
9	G	29.2	Very low	32.7	Very low	79 Å²	79	161.9 Å²	161.9	81%	0.814	86%	0.864	S	S	*	*			cis	137.6	130.6	12.4	0	0	0	0	0	109.4
10	G	29	Very low	32.7	Very low	74 Å²	74	161 Å²	161	76%	0.763	86%	0.857	S	S	*	*			trans	96.3	115.8	164.8	0	0	0	0	0	115.9
11	S	32.8	Very low	32.6	Very low	121 Å²	121	156.8 Å²	156.8	85%	0.846	85%	0.853	S	S	*	*			cis	86.9	114.2	48.5	-57.9	0	0	0	0	115.5
12	R	34.7	Very low	32	Very low	261 Å²	261	150 Å²	150	99%	0.985	83%	0.829	S	S	*	*			trans	166.1	132.3	149.2	-92.9	168.8	-174.8	-146.3	0.5	107.1
13	G	30.3	Very low	31.7	Very low	73 Å²	73	153.3 Å²	153.3	75%	0.753	83%	0.831	S	S	*	*			cis	154.7	139.8	3.3	0	0	0	0	0	109.2
14	A	32	Very low	31.8	Very low	102 Å²	102	149.6 Å²	149.6	84%	0.843	83%	0.829	S	S	*	*			trans	63.3	144.4	157.5	0	0	0	0	0	118.4
15	E	31.2	Very low	31.4	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	83%	0.825	S	S	*	*			cis	-144.9	162.3	34.4	-76.8	-178.9	147.1	0	0	113.6
16	A	30.5	Very low	31	Very low	84 Å²	84	147.9 Å²	147.9	69%	0.694	83%	0.829	S	S	*	*			trans	-115.9	155.3	-178.7	0	0	0	0	0	110.6
17	V	32.3	Very low	30.9	Very low	148 Å²	148	148.1 Å²	148.1	90%	0.897	83%	0.827	S	S	*	*			trans	-151.2	124.9	140.1	-178.6	0	0	0	0	110.7
18	H	31	Very low	30.6	Very low	151 Å²	151	146.9 Å²	146.9	70%	0.699	82%	0.821	S	S	*	*			trans	-81.7	156.5	169.5	-94.2	-81.2	0	0	0	112.1
19	Y	27.2	Very low	30.6	Very low	224 Å²	224	141.1 Å²	141.1	88%	0.878	81%	0.814	S	S	*	*			trans	-155.5	122.1	130.2	-129	-92.6	0	0	0	111.9
20	I	33.5	Very low	30.5	Very low	143 Å²	143	141 Å²	141	73%	0.733	81%	0.813	S	S	*	*			trans	-114.5	131.1	164.7	-71.8	172.5	0	0	0	105.8
21	G	29.8	Very low	30.7	Very low	74 Å²	74	149 Å²	149	76%	0.763	82%	0.82	S	S	*	*			trans	-117.4	129.1	168.5	0	0	0	0	0	110.5
22	S	29.9	Very low	30.5	Very low	106 Å²	106	149.4 Å²	149.4	74%	0.741	82%	0.817	S	S	*	*			trans	-109.6	143.8	-169.4	53.8	0	0	0	0	113.2
23	R	28.2	Very low	30.5	Very low	231 Å²	231	144.4 Å²	144.4	87%	0.872	81%	0.805	S	S	*	*			trans	58.4	146	135	-92.3	-171.7	179.5	-171.1	0.6	124.1
24	L	31.4	Very low	30.5	Very low	173 Å²	173	151.9 Å²	151.9	91%	0.906	81%	0.81	S	S	*	*			trans	84.9	131.1	156.6	-64.3	144.4	0	0	0	115.2
25	G	27.6	Very low	30.5	Very low	67 Å²	67	152.6 Å²	152.6	69%	0.691	81%	0.805	S	S	*	*			cis	165.7	175.6	4.2	0	0	0	0	0	109.4
26	R	28.8	Very low	30.4	Very low	255 Å²	255	152.6 Å²	152.6	96%	0.962	80%	0.802	S	S	*	*			trans	103.4	137	164.9	-65.7	-174.4	174.2	-173.5	-1.3	119.1
27	T	30.4	Very low	30.6	Very low	126 Å²	126	157.2 Å²	157.2	77%	0.773	81%	0.809	S	S	*	*			trans	-91.2	172.1	-172.2	31.7	0	0	0	0	112.6
28	L	31.6	Very low	30.4	Very low	143 Å²	143	155 Å²	155	75%	0.749	80%	0.8	S	S	*	*			trans	97.2	108.9	156.4	-83.6	132.1	0	0	0	119.9
29	T	30.4	Very low	30.5	Very low	131 Å²	131	153.7 Å²	153.7	80%	0.804	80%	0.803	S	S	*	*				63.4	131	129.4	53.8	0	0	0	0	121.2
30	G	28.1	Very low	30.8	Very low	77 Å²	77	152.6 Å²	152.6	79%	0.794	81%	0.806	S	S	*	*			trans	158.6	92.1	153.7	0	0	0	0	0	114.5
31	W	32.3	Very low	30.7	Very low	240 Å²	240	150.8 Å²	150.8	91%	0.909	81%	0.812	S	S	*	*			trans	-48.4	138.5	153.1	-112.9	45.1	0	0	0	110.6
32	V	30.4	Very low	30.8	Very low	131 Å²	131	151.9 Å²	151.9	79%	0.794	81%	0.814	S	S	*	*			trans	-168.9	126.4	136.1	164.1	0	0	0	0	109.6
33	Q	33.5	Very low	31	Very low	156 Å²	156	153.9 Å²	153.9	73%	0.729	82%	0.822	S	S	*	*			trans	-57.2	140	165.9	-73.2	158.3	-75.5	0	0	112.4
34	R	29.8	Very low	31.2	Very low	229 Å²	229	147.7 Å²	147.7	86%	0.864	82%	0.82	S	S	*	*			trans	-136.4	102.2	148.5	-80.5	-167.7	-178.2	-174.7	0.8	111.1
35	T	33.3	Very low	31.1	Very low	117 Å²	117	144.5 Å²	144.5	72%	0.718	81%	0.812	S	S	*	*			trans	-61	136.2	152.5	-0.7	0	0	0	0	109.7
36	F	29.5	Very low	31.6	Very low	198 Å²	198	146.9 Å²	146.9	87%	0.868	82%	0.819	S	S	*	*			trans	-140.5	114.8	146.7	-103.9	-82.5	0	0	0	108.7
37	Q	33	Very low	31.6	Very low	181 Å²	181	146 Å²	146	85%	0.846	82%	0.815	S	S	*	*			trans	-81.3	143.9	164.8	-75.4	174.5	-36.8	0	0	109.4
38	S	29.8	Very low	31.7	Very low	101 Å²	101	147.9 Å²	147.9	71%	0.706	82%	0.82	S	S	*	*			trans	-177.3	99	144.3	167.1	0	0	0	0	107.2
39	T	33	Very low	31.6	Very low	125 Å²	125	146.2 Å²	146.2	77%	0.767	82%	0.821	S	S	*	*				50.4	102.5	95.7	52.8	0	0	0	0	115.4
40	Q	32.6	Very low	31.6	Very low	201 Å²	201	150.5 Å²	150.5	94%	0.939	83%	0.829	S	S	*	*				-162.4	128.8	118.3	-105.1	-178.7	17.7	0	0	110.7
41	A	31.7	Very low	31.8	Very low	105 Å²	105	151 Å²	151	87%	0.868	83%	0.825	S	S	*	*			trans	-81.2	134.4	172.8	0	0	0	0	0	109.5
42	A	31.9	Very low	32	Very low	97 Å²	97	143.7 Å²	143.7	80%	0.802	82%	0.816	S	S	*	*			trans	-121.2	114.9	160.3	0	0	0	0	0	107.7
43	T	34.2	Very low	32.2	Very low	148 Å²	148	144.8 Å²	144.8	91%	0.908	82%	0.817	S	S	*	*			trans	-60.4	124.6	170.4	41.6	0	0	0	0	110.6
44	A	31.6	Very low	32.5	Very low	100 Å²	100	144.7 Å²	144.7	83%	0.826	82%	0.822	S	S	*	*			trans	-130.1	128.1	164.6	0	0	0	0	0	110.3
45	S	29.5	Very low	33	Very low	106 Å²	106	143 Å²	143	74%	0.741	82%	0.821	S	S	*	*			trans	-49.9	143.5	-173.3	51.4	0	0	0	0	116.4	R47	S45-R47 PolarHBondContact O-N 3.3Å
46	S	37.5	Very low	33.3	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	82%	0.819	S	S	*	*			trans	-57.7	115.5	156.4	56.4	0	0	0	0	111.3
47	R	29.5	Very low	34.2	Very low	237 Å²	237	137.1 Å²	137.1	89%	0.894	81%	0.809	S	S	*	*			trans	-141.8	122.8	151.9	-87.2	-170.7	177.1	166.6	-0.8	110.2	S45	S45-R47 PolarHBondContact O-N 3.3Å
48	N	33.4	Very low	35	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	81%	0.809	S	S	*	*			trans	-44.1	132.1	163.6	-73.8	-22.2	0	0	0	112.1
49	S	28.8	Very low	36	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	81%	0.814	S	S	*	*				170.8	95.4	122.7	55.3	0	0	0	0	108.3	A51	S49-A51 PolarHBondContact O-N 3Å
50	F	31.2	Very low	37.1	Very low	222 Å²	222	136.1 Å²	136.1	97%	0.974	80%	0.798	S	S	*	*			trans	-69.9	93	155.9	-80.5	-82.9	0	0	0	106	A52	F50-A52 VanDerWaalsContact C-N 3.34Å; F50-A52 PolarHBondContact O-N 3.17Å
51	A	32.1	Very low	38.3	Very low	86 Å²	86	130.1 Å²	130.1	71%	0.711	78%	0.776	S	S	*	*			trans	-64	104.3	160.5	0	0	0	0	0	105.8	S49 D53	S49-A51 PolarHBondContact O-N 3Å; A51-D53 PolarHBondContact O-N 3.06Å
52	A	36	Very low	39.7	Very low	87 Å²	87	135 Å²	135	72%	0.719	78%	0.778	S	S	*	*			trans	-57.2	115.3	155.9	0	0	0	0	0	105.4	F50 D54	F50-A52 VanDerWaalsContact C-N 3.34Å; F50-A52 PolarHBondContact O-N 3.17Å; A52-D54 PolarHBondContact O-N 2.84Å
53	D	34.5	Very low	41.9	Very low	154 Å²	154	137.3 Å²	137.3	82%	0.824	78%	0.776	S	S	*	*			trans	-60.4	96	162.2	-103.9	-16.7	0	0	0	105.8	A51 K55	A51-D53 PolarHBondContact O-N 3.06Å; D53-K55 PolarHBondContact O-N 2.8Å
54	D	40.5	Very low	44.7	Very low	155 Å²	155	130.9 Å²	130.9	83%	0.829	74%	0.738	S	S	*	*			trans	-57.6	87.1	157.7	-100.2	-23.3	0	0	0	106	A52 A56	A52-D54 PolarHBondContact O-N 2.84Å; D54-A56 PolarHBondContact O-N 2.8Å
55	K	40.3	Very low	47.8	Very low	194 Å²	194	126.3 Å²	126.3	84%	0.843	70%	0.699	S	S	*	*			trans	-65.6	79.2	150	-80.9	-169.1	177	-177.3	0	106	D53 T57	D53-K55 PolarHBondContact O-N 2.8Å; K55-T57 PolarHBondContact O-N 3.11Å
56	A	39.1	Very low	51.1	Low	82 Å²	82	121.2 Å²	121.2	68%	0.678	66%	0.664	S	S	*	*			trans	-48.6	112.4	158.9	0	0	0	0	0	105.9	D54 E58	D54-A56 PolarHBondContact O-N 2.8Å; A56-E58 PolarHBondContact O-N 2.97Å; A56-E58 VanDerWaalsContact O-N 3.11Å
57	T	48.8	Very low	54	Low	108 Å²	108	116.7 Å²	116.7	66%	0.663	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-46.7	119.7	166.1	31.2	0	0	0	0	106.6	K55	K55-T57 PolarHBondContact O-N 3.11Å
58	E	49.8	Very low	57.3	Low	182 Å²	182	105.4 Å²	105.4	85%	0.85	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-51.3	131.2	177.3	-74.5	-155.7	165.5	0	0	108.2	A56 L60	A56-E58 PolarHBondContact O-N 2.97Å; A56-E58 VanDerWaalsContact O-N 3.11Å; E58-L60 PolarHBondContact O-N 3.1Å; E58-L60 VanDerWaalsContact O-N 3.1Å
59	P	50.3	Low	60.4	Low	123 Å²	123	98.3 Å²	98.3	80%	0.799	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-56.1	125	-178.2	19.7	-28.9	0	0	0	108.3
60	L	55.5	Low	63.7	Low	82 Å²	82	93.2 Å²	93.2	43%	0.429	52%	0.515	S	S	.	.			trans	-45.3	132.5	-179.7	-72.3	159.1	0	0	0	109.4	E58 K62 Y69 N177	E58-L60 PolarHBondContact O-N 3.1Å; E58-L60 VanDerWaalsContact O-N 3.1Å; L60-K62 PolarHBondContact O-N 3.28Å; L60-Y69 VanDerWaalsContact CD1-OH 3.28Å; L60-Y69 WeakPolarHBondContact CD1-OH 3.39Å; L60-N177 HydrophobicContact CD2-CB 3.83Å
61	P	58.5	Low	67	Low	74 Å²	74	82.9 Å²	82.9	48%	0.481	47%	0.469	S	S	.	.			trans	-52.5	122.7	169.9	-20.8	30.3	0	0	0	107.5	D63 C64	P61-D63 PolarHBondContact O-N 2.97Å; P61-C64 HydrophobicContact CB-CB 4.48Å; P61-C64 PolarHBondContact O-N 2.7Å
62	K	60	Low	70.2	Confident	208 Å²	208	78.8 Å²	78.8	90%	0.904	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-15.9	-176.9	-84.5	-177.6	174.8	178.7	0	113.7	L60	L60-K62 PolarHBondContact O-N 3.28Å
63	D	77.9	Confident	73.1	Confident	145 Å²	145	75.1 Å²	75.1	78%	0.775	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	13	-174.6	-54.4	-40.3	0	0	0	114.5	P61 P65	P61-D63 PolarHBondContact O-N 2.97Å; D63-P65 WeakPolarHBondContact O-CD 3.37Å
64	C	93.6	Very high	76.2	Confident	14 Å²	14	69.3 Å²	69.3	10%	0.095	38%	0.375	C	S	.	.			trans	-65.5	121.6	178.8	-176.4	0	0	0	0	110.9	P61 V66	P61-C64 HydrophobicContact CB-CB 4.48Å; P61-C64 PolarHBondContact O-N 2.7Å; C64-V66 PolarHBondContact O-N 3.4Å; C64-V66 PolarHBondContact SG-O 3.39Å
65	P	97	Very high	79	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.019	34%	0.338	C	S	.	.	S	Bend	trans	-74.2	-15.9	-175.8	30.5	-36.6	0	0	0	113.7	D63 Y203 R206 R413	D63-P65 WeakPolarHBondContact O-CD 3.37Å; P65-Y203 HydrophobicContact CB-CD1 3.98Å; P65-Y203 HydrophobicContact CB-CE1 4.27Å; P65-Y203 HydrophobicContact CG-CD1 3.74Å; P65-Y203 HydrophobicContact CG-CG 4.46Å; P65-R206 VanDerWaalsContact CD-O 3.28Å; P65-R206 WeakPolarHBondContact CD-O 3.33Å; P65-R206 HydrophobicContact CG-CB 3.74Å; P65-R413 WeakPolarHBondContact O-CB 3.43Å; P65-R413 PolarHBondContact O-NH1 3.16Å
66	V	98.7	Very high	81.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.309	C	S	.	.			trans	-102.8	119.3	177.1	-177.4	0	0	0	0	108.1	C64 V174 N177 Y203 A208 V412	C64-V66 PolarHBondContact O-N 3.4Å; C64-V66 PolarHBondContact SG-O 3.39Å; V66-V174 HydrophobicContact CG1-CB 4.45Å; V66-V174 HydrophobicContact CG1-CG1 3.45Å; V66-V174 VanDerWaalsContact CG1-CG1 3.45Å; V66-V174 HydrophobicContact CG1-CG2 4.14Å; V66-N177 VanDerWaalsContact O-CA 3.32Å; V66-N177 WeakPolarHBondContact O-CA 3.49Å; V66-Y203 HydrophobicContact CG2-CD1 4.26Å; V66-Y203 HydrophobicContact CG2-CD2 3.93Å; V66-Y203 HydrophobicContact CG2-CG 3.76Å; V66-A208 HydrophobicContact CB-CB 3.75Å; V66-A208 HydrophobicContact CG2-CB 3.36Å; V66-V412 WeakPolarHBondContact CA-O 3.38Å; V66-V412 HydrophobicContact CB-CG1 4.26Å; V66-V412 HydrophobicContact CG1-CG1 4.43Å; V66-V412 HydrophobicContact CG2-CG1 3.76Å
67	S	98.4	Very high	84.6	Confident	22 Å²	22	52 Å²	52	15%	0.154	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-165.5	95.2	176	177.4	0	0	0	0	109.4	G176 V412 R413 R414	S67-G176 CarbonylContact C-O 3.52Å; S67-G176 WeakPolarHBondContact CA-O 3.48Å; S67-V412 PolarHBondContact N-O 2.73Å; S67-R413 CarbonylContact O-C 3.37Å; S67-R413 VanDerWaalsContact O-CA 3.32Å; S67-R413 WeakPolarHBondContact O-CA 3.46Å; S67-R414 PolarHBondContact O-N 2.7Å; S67-R414 VanDerWaalsContact O-O 3.06Å
68	S	98.8	Very high	87	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-144	128.6	175.6	-172.7	0	0	0	0	111.4	N70 G176 R260 D411	S68-N70 PolarHBondContact OG-O 2.7Å; S68-G176 PolarHBondContact N-O 3.3Å; S68-G176 PolarHBondContact O-N 2.85Å; S68-R260 VanDerWaalsContact C-NH1 3.29Å; S68-R260 VanDerWaalsContact CB-NH1 3.31Å; S68-R260 PolarHBondContact O-NH1 3.05Å; S68-R260 VanDerWaalsContact O-NH1 3.12Å; S68-R260 PolarHBondContact OG-NH1 2.95Å; S68-R260 PolarHBondContact OG-NH2 3.45Å; S68-D411 PolarHBondContact OG-OD2 3.05Å
69	Y	98.8	Very high	89.4	Confident	16 Å²	16	38.1 Å²	38.1	6%	0.063	21%	0.206	C	C	.	.			trans	-113.4	-19.3	-174.5	-59.9	-75	0	0	0	113.7	L60 G262 Y289 L418	L60-Y69 VanDerWaalsContact CD1-OH 3.28Å; L60-Y69 WeakPolarHBondContact CD1-OH 3.39Å; Y69-G262 VanDerWaalsContact O-CA 3.25Å; Y69-G262 WeakPolarHBondContact O-CA 3.36Å; Y69-G262 PolarHBondContact O-N 3.16Å; Y69-Y289 WeakPolarHBondContact CD1-OH 3.26Å; Y69-Y289 WeakPolarHBondContact CE1-OH 3.19Å; Y69-L418 HydrophobicContact CD1-CB 3.79Å; Y69-L418 HydrophobicContact CD1-CD1 3.8Å; Y69-L418 HydrophobicContact CD1-CG 4.35Å; Y69-L418 HydrophobicContact CE1-CB 3.79Å; Y69-L418 HydrophobicContact CE1-CD1 4.43Å; Y69-L418 HydrophobicContact CG-CB 4.35Å; Y69-L418 HydrophobicContact CG-CD1 4.48Å
70	N	98.9	Very high	91.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-155	-179.5	-172.6	59.1	47.6	0	0	0	109.7	S68 W72 D73 R260 R414 Y421	S68-N70 PolarHBondContact OG-O 2.7Å; N70-W72 HydrophobicContact CB-CD2 4.01Å; N70-W72 HydrophobicContact CB-CE3 3.96Å; N70-W72 HydrophobicContact CB-CH2 3.77Å; N70-W72 HydrophobicContact CB-CZ2 3.79Å; N70-W72 HydrophobicContact CB-CZ3 3.81Å; N70-W72 PolarHBondContact OD1-N 2.71Å; N70-D73 PolarHBondContact ND2-OD1 3.44Å; N70-D73 PolarHBondContact ND2-OD2 3.35Å; N70-D73 WeakPolarHBondContact OD1-CB 3.4Å; N70-D73 VanDerWaalsContact OD1-CG 3.26Å; N70-D73 PolarHBondContact OD1-N 2.72Å; N70-D73 PolarHBondContact OD1-OD2 3.34Å; N70-R260 PolarHBondContact O-NH2 2.99Å; N70-R260 VanDerWaalsContact O-NH2 3.09Å; N70-R414 WeakPolarHBondContact O-CD 3.48Å; N70-R414 PolarHBondContact O-NE 3.05Å; N70-Y421 PolarHBondContact ND2-OH 2.93Å
71	E	98.9	Very high	93.7	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.023	15%	0.147	C	C	.	.	S	Bend	trans	-95.4	2.5	-174	-49.7	-52.5	154.6	0	0	114.4	R169 I259 R260 I310 M364 H406 R414	E71-R169 IonicContact OE2-NH1 2.76Å; E71-I259 HydrophobicContact CG-CD1 4.27Å; E71-I259 HydrophobicContact CG-CG1 3.73Å; E71-R260 VanDerWaalsContact OE1-CB 3.32Å; E71-R260 WeakPolarHBondContact OE1-CB 3.34Å; E71-R260 IonicContact OE1-CZ 3.97Å; E71-R260 PolarHBondContact OE1-N 3.13Å; E71-R260 IonicContact OE1-NE 2.86Å; E71-R260 PolarHBondContact OE1-NE 3.11Å; E71-R260 IonicContact OE1-NH2 2.84Å; E71-R260 PolarHBondContact OE1-NH2 2.77Å; E71-R260 IonicContact OE2-CZ 3.65Å; E71-R260 IonicContact OE2-NE 3.89Å; E71-R260 IonicContact OE2-NH2 2.79Å; E71-R260 PolarHBondContact OE2-NH2 3.43Å; E71-I310 WeakPolarHBondContact CB-O 3.28Å; E71-M364 WeakPolarHBondContact O-CB 3.25Å; E71-H406 IonicContact OE2-NE2 2.72Å; E71-R414 VanDerWaalsContact O-CZ 3.22Å; E71-R414 PolarHBondContact O-NH2 3.23Å
72	W	98.9	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-136.3	-13.3	-167.1	61.3	78.9	0	0	0	116.5	N70 A261 I310 I311 P313 M364 D366 E367 Y421	N70-W72 HydrophobicContact CB-CD2 4.01Å; N70-W72 HydrophobicContact CB-CE3 3.96Å; N70-W72 HydrophobicContact CB-CH2 3.77Å; N70-W72 HydrophobicContact CB-CZ2 3.79Å; N70-W72 HydrophobicContact CB-CZ3 3.81Å; N70-W72 PolarHBondContact OD1-N 2.71Å; W72-A261 HydrophobicContact CH2-CB 3.85Å; W72-A261 HydrophobicContact CZ3-CB 4.29Å; W72-I310 HydrophobicContact CE3-CG2 4.02Å; W72-I310 HydrophobicContact CH2-CG2 4.08Å; W72-I310 HydrophobicContact CZ3-CB 4.17Å; W72-I310 HydrophobicContact CZ3-CG2 3.34Å; W72-I311 WeakPolarHBondContact CB-O 3.48Å; W72-P313 HydrophobicContact CZ2-CB 4.47Å; W72-P313 HydrophobicContact CZ2-CG 4.36Å; W72-M364 HydrophobicContact CB-CB 4.32Å; W72-M364 HydrophobicContact CB-CG 4.47Å; W72-D366 CarbonylContact O-C 3.51Å; W72-D366 VanDerWaalsContact O-C 3.24Å; W72-D366 WeakPolarHBondContact O-CA 3.47Å; W72-E367 HydrophobicContact CB-CG 4.49Å; W72-E367 HydrophobicContact CG-CG 4.39Å; W72-E367 PolarHBondContact O-N 3.31Å; W72-Y421 AromaticContact CH2-CD2 3.95Å; W72-Y421 HydrophobicContact CH2-CD2 3.95Å; W72-Y421 HydrophobicContact CH2-CE2 4.02Å; W72-Y421 HydrophobicContact CZ2-CD1 4.37Å; W72-Y421 AromaticContact CZ2-CD2 3.74Å; W72-Y421 HydrophobicContact CZ2-CD2 3.74Å; W72-Y421 HydrophobicContact CZ2-CE1 4.14Å; W72-Y421 AromaticContact CZ2-CE2 3.47Å; W72-Y421 HydrophobicContact CZ2-CE2 3.47Å; W72-Y421 VanDerWaalsContact CZ2-CE2 3.47Å; W72-Y421 HydrophobicContact CZ2-CG 4.18Å; W72-Y421 AromaticContact CZ2-CZ 3.67Å
73	D	98.9	Very high	97.5	Very high	11 Å²	11	17.1 Å²	17.1	6%	0.059	9%	0.09	C	C	.	.	S	Bend	trans	-58.4	152.2	173.8	-79.9	-17.2	0	0	0	110.6	N70 L75 R414 G416	N70-D73 PolarHBondContact ND2-OD1 3.44Å; N70-D73 PolarHBondContact ND2-OD2 3.35Å; N70-D73 WeakPolarHBondContact OD1-CB 3.4Å; N70-D73 VanDerWaalsContact OD1-CG 3.26Å; N70-D73 PolarHBondContact OD1-N 2.72Å; N70-D73 PolarHBondContact OD1-OD2 3.34Å; D73-L75 PolarHBondContact O-N 3.46Å; D73-R414 HydrophobicContact CB-CB 3.68Å; D73-R414 VanDerWaalsContact O-CD 3.27Å; D73-R414 WeakPolarHBondContact O-CD 3.3Å; D73-R414 WeakPolarHBondContact O-CG 3.42Å; D73-R414 PolarHBondContact O-NH1 2.9Å; D73-G416 WeakPolarHBondContact OD2-CA 3.31Å
74	P	98.9	Very high	98.5	Very high	32 Å²	32	12.6 Å²	12.6	21%	0.208	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-50.5	116.3	-176.5	-29	33.8	0	0	0	114	L365 D366 R414 R415	P74-L365 CarbonylContact C-O 3.45Å; P74-L365 WeakPolarHBondContact CA-O 3.38Å; P74-D366 HydrophobicContact CB-CB 4.35Å; P74-D366 HydrophobicContact CG-CB 4.17Å; P74-R414 CarbonylContact O-C 3.57Å; P74-R414 VanDerWaalsContact O-CA 3.24Å; P74-R414 WeakPolarHBondContact O-CA 3.48Å; P74-R415 HydrophobicContact CB-CB 4.35Å; P74-R415 WeakPolarHBondContact CD-O 3.24Å; P74-R415 PolarHBondContact O-N 3.42Å
75	L	98.9	Very high	98.7	Very high	11 Å²	11	15 Å²	15	6%	0.058	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.3	-176	-172.5	65.2	0	0	0	111.5	D73 V78 V139 L363 L365 D411 R414	D73-L75 PolarHBondContact O-N 3.46Å; L75-V78 HydrophobicContact CD1-CB 4.43Å; L75-V78 HydrophobicContact CD2-CB 4.22Å; L75-V78 HydrophobicContact CD2-CG2 4.49Å; L75-V139 HydrophobicContact CB-CG2 4.35Å; L75-V139 HydrophobicContact CD2-CG1 3.93Å; L75-V139 HydrophobicContact CD2-CG2 4.12Å; L75-V139 HydrophobicContact CG-CG1 3.88Å; L75-V139 HydrophobicContact CG-CG2 4.16Å; L75-L363 HydrophobicContact CD2-CD2 4.34Å; L75-L365 WeakPolarHBondContact CB-O 3.47Å; L75-L365 HydrophobicContact CD2-CD2 3.75Å; L75-L365 PolarHBondContact N-O 3.03Å; L75-D411 HydrophobicContact CD1-CB 3.46Å; L75-D411 VanDerWaalsContact CD1-CB 3.46Å; L75-R414 HydrophobicContact CD1-CG 3.95Å
76	E	98.8	Very high	98.8	Very high	51 Å²	51	14.9 Å²	14.9	24%	0.238	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-36.5	-179.4	-59.7	-168.9	158.8	0	0	113.1	I140 R413 R415	E76-I140 WeakPolarHBondContact O-CB 3.42Å; E76-I140 PolarHBondContact O-N 2.71Å; E76-R413 HydrophobicContact CB-CB 4.27Å; E76-R413 HydrophobicContact CB-CG 4.27Å; E76-R413 PolarHBondContact N-O 3.39Å; E76-R413 WeakPolarHBondContact OE2-CD 2.97Å; E76-R413 IonicContact OE2-CZ 2.71Å; E76-R413 IonicContact OE2-NE 3.84Å; E76-R413 PolarHBondContact OE2-NE 3.29Å; E76-R413 IonicContact OE2-NH2 2.82Å; E76-R415 HydrophobicContact CG-CB 4.41Å; E76-R415 WeakPolarHBondContact OE1-CB 3.33Å; E76-R415 IonicContact OE1-CZ 2.71Å; E76-R415 IonicContact OE1-NH1 3.36Å; E76-R415 PolarHBondContact OE1-NH1 2.93Å
77	E	98.9	Very high	98.8	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.019	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	136.8	178	-173.2	165.4	168.3	0	0	111.1	I140 R142 Y203 V412 R413	E77-I140 CarbonylContact C-O 3.59Å; E77-I140 WeakPolarHBondContact CA-O 3.35Å; E77-I140 HydrophobicContact CB-CB 4.07Å; E77-I140 HydrophobicContact CG-CB 3.92Å; E77-I140 HydrophobicContact CG-CG2 3.89Å; E77-R142 HydrophobicContact CG-CG 4.42Å; E77-R142 WeakPolarHBondContact OE1-CG 3.42Å; E77-R142 IonicContact OE1-NH1 3.17Å; E77-R142 PolarHBondContact OE1-NH1 2.79Å; E77-Y203 WeakPolarHBondContact OE1-CE1 3.38Å; E77-Y203 VanDerWaalsContact OE1-CZ 3.28Å; E77-Y203 PolarHBondContact OE1-OH 3.21Å; E77-V412 HydrophobicContact CB-CB 4.43Å; E77-V412 HydrophobicContact CG-CB 4.32Å; E77-V412 PolarHBondContact O-N 3.14Å; E77-R413 HydrophobicContact CB-CB 4.02Å; E77-R413 PolarHBondContact N-O 2.93Å; E77-R413 PolarHBondContact O-N 3.32Å; E77-R413 VanDerWaalsContact O-N 3.1Å; E77-R413 IonicContact OE2-CZ 3.86Å; E77-R413 IonicContact OE2-NH1 3.56Å; E77-R413 PolarHBondContact OE2-NH1 3.01Å; E77-R413 IonicContact OE2-NH2 3.56Å
78	V	98.9	Very high	98.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.8	-175.3	70.7	0	0	0	0	111.2	L75 V80 L134 V139 I140 V141 R142 T409 C410	L75-V78 HydrophobicContact CD1-CB 4.43Å; L75-V78 HydrophobicContact CD2-CB 4.22Å; L75-V78 HydrophobicContact CD2-CG2 4.49Å; V78-V80 HydrophobicContact CG1-CG2 4.12Å; V78-L134 HydrophobicContact CG1-CD1 4.03Å; V78-V139 HydrophobicContact CB-CG1 4.11Å; V78-V139 HydrophobicContact CG1-CG1 3.57Å; V78-I140 PolarHBondContact N-O 3.44Å; V78-V141 HydrophobicContact CG1-CG2 4.15Å; V78-V141 WeakPolarHBondContact O-CA 3.22Å; V78-R142 PolarHBondContact O-N 2.89Å; V78-T409 HydrophobicContact CG2-CG2 3.89Å; V78-C410 WeakPolarHBondContact CA-O 3.35Å; V78-C410 WeakPolarHBondContact CG2-O 3.23Å
79	I	99	Very high	98.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.9	165.8	-60.9	167.5	0	0	0	107.9	R142 P168 L172 Y196 I199 Y203 T409 C410 V412	I79-R142 CarbonylContact C-O 3.56Å; I79-R142 WeakPolarHBondContact CA-O 3.27Å; I79-R142 HydrophobicContact CG1-CB 4.13Å; I79-P168 HydrophobicContact CB-CB 4.46Å; I79-P168 HydrophobicContact CG2-CB 4.07Å; I79-P168 HydrophobicContact CG2-CG 3.9Å; I79-L172 HydrophobicContact CD1-CD1 3.87Å; I79-Y196 HydrophobicContact CG2-CD1 4.18Å; I79-Y196 HydrophobicContact CG2-CE1 4Å; I79-I199 HydrophobicContact CD1-CD1 4.47Å; I79-I199 HydrophobicContact CD1-CG2 3.96Å; I79-I199 HydrophobicContact CG1-CD1 4.37Å; I79-I199 HydrophobicContact CG1-CG2 4.29Å; I79-I199 HydrophobicContact CG2-CD1 4.25Å; I79-Y203 HydrophobicContact CD1-CE2 4.34Å; I79-T409 CarbonylContact O-C 3.54Å; I79-T409 WeakPolarHBondContact O-CA 3.23Å; I79-C410 HydrophobicContact CB-CB 4.37Å; I79-C410 PolarHBondContact N-O 2.83Å; I79-C410 PolarHBondContact O-N 2.87Å; I79-V412 HydrophobicContact CD1-CG2 3.88Å; I79-V412 HydrophobicContact CG1-CG2 3.77Å
80	V	99	Very high	98.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.5	173.3	-176.1	0	0	0	0	109.4	V78 I127 L134 V141 R142 R143 P144 W408 T409	V78-V80 HydrophobicContact CG1-CG2 4.12Å; V80-I127 HydrophobicContact CG1-CG2 3.71Å; V80-L134 HydrophobicContact CG2-CD1 3.64Å; V80-V141 HydrophobicContact CB-CG1 4.22Å; V80-V141 HydrophobicContact CG2-CG1 3.74Å; V80-R142 PolarHBondContact N-O 2.93Å; V80-R143 VanDerWaalsContact O-CD 3.26Å; V80-R143 WeakPolarHBondContact O-CD 3.39Å; V80-R143 PolarHBondContact O-NE 2.84Å; V80-P144 WeakPolarHBondContact O-CD 3.39Å; V80-W408 WeakPolarHBondContact CA-O 3.21Å; V80-T409 HydrophobicContact CG2-CG2 4.1Å
81	G	98.9	Very high	98.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.			trans	-66.4	-177.7	-175.6	0	0	0	0	0	116.2	R143 S165 A166 W408	G81-R143 PolarHBondContact O-NE 2.81Å; G81-R143 PolarHBondContact O-NH2 2.89Å; G81-S165 CarbonylContact C-O 3.54Å; G81-S165 VanDerWaalsContact CA-O 3.26Å; G81-S165 WeakPolarHBondContact CA-O 3.21Å; G81-A166 WeakPolarHBondContact CA-O 3.32Å; G81-W408 PolarHBondContact N-O 3.39Å
82	R	98.9	Very high	98.8	Very high	45 Å²	45	19.3 Å²	19.3	17%	0.17	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-129.5	135.6	177.7	-81.8	-168.1	-173.8	-72.5	-4.7	111.8	E84 P144 S165 A166	R82-E84 WeakPolarHBondContact CA-OE2 3.44Å; R82-E84 WeakPolarHBondContact CB-OE2 3.36Å; R82-E84 WeakPolarHBondContact CG-OE2 3.33Å; R82-E84 IonicContact CZ-OE1 2.73Å; R82-E84 IonicContact NH1-OE1 2.58Å; R82-E84 PolarHBondContact NH1-OE1 2.8Å; R82-P144 HydrophobicContact CB-CG 4.17Å; R82-P144 WeakPolarHBondContact CD-O 3.24Å; R82-P144 HydrophobicContact CG-CG 3.95Å; R82-P144 PolarHBondContact NE-O 2.85Å; R82-S165 PolarHBondContact N-O 2.92Å; R82-S165 CarbonylContact O-C 3.58Å; R82-A166 WeakPolarHBondContact O-CA 3.31Å; R82-A166 WeakPolarHBondContact O-CB 3.39Å; R82-A166 PolarHBondContact O-N 2.92Å; R82-A166 VanDerWaalsContact O-N 3.17Å
83	A	98.8	Very high	98.8	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.108	C	C	.	.			trans	-90.8	-15.3	174.6	0	0	0	0	0	112.2	N85 A86 A123 V124 L401 W408	A83-N85 PolarHBondContact O-N 2.83Å; A83-A86 WeakPolarHBondContact O-CB 3.28Å; A83-A86 PolarHBondContact O-N 3.35Å; A83-A123 HydrophobicContact CB-CB 3.93Å; A83-V124 HydrophobicContact CB-CG2 3.89Å; A83-L401 HydrophobicContact CB-CD1 3.98Å; A83-W408 HydrophobicContact CB-CH2 3.98Å
84	E	98.7	Very high	98.8	Very high	49 Å²	49	20.6 Å²	20.6	23%	0.229	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135	-176	-64.3	93	132.4	0	0	111.3	R82 A86 V124	R82-E84 WeakPolarHBondContact CA-OE2 3.44Å; R82-E84 WeakPolarHBondContact CB-OE2 3.36Å; R82-E84 WeakPolarHBondContact CG-OE2 3.33Å; R82-E84 IonicContact CZ-OE1 2.73Å; R82-E84 IonicContact NH1-OE1 2.58Å; R82-E84 PolarHBondContact NH1-OE1 2.8Å; E84-A86 PolarHBondContact O-N 3.26Å; E84-V124 HydrophobicContact CG-CG2 3.95Å
85	N	98.6	Very high	98.8	Very high	66 Å²	66	19.1 Å²	19.1	35%	0.353	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	18.1	176.9	-54.4	-33.4	0	0	0	115.1	A83 C87 Y114 I147 W149	A83-N85 PolarHBondContact O-N 2.83Å; N85-C87 PolarHBondContact O-N 2.8Å; N85-Y114 HydrophobicContact CB-CD1 4.48Å; N85-Y114 HydrophobicContact CB-CE1 3.85Å; N85-Y114 WeakPolarHBondContact O-CD1 3.43Å; N85-Y114 WeakPolarHBondContact O-CE1 3.48Å; N85-I147 VanDerWaalsContact CB-O 3.3Å; N85-I147 WeakPolarHBondContact CB-O 3.42Å; N85-I147 PolarHBondContact ND2-O 2.86Å; N85-W149 WeakPolarHBondContact O-CB 3.29Å
86	A	98.8	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.			trans	-56.9	131.6	176.8	0	0	0	0	0	111.2	A83 E84 Y114 F115 L120 L163 Y164 L401	A83-A86 WeakPolarHBondContact O-CB 3.28Å; A83-A86 PolarHBondContact O-N 3.35Å; E84-A86 PolarHBondContact O-N 3.26Å; A86-Y114 WeakPolarHBondContact O-CA 3.14Å; A86-F115 HydrophobicContact CB-CD2 3.91Å; A86-F115 PolarHBondContact O-N 3.5Å; A86-L120 HydrophobicContact CB-CD1 4.26Å; A86-L120 HydrophobicContact CB-CD2 3.95Å; A86-L163 WeakPolarHBondContact CA-O 3.49Å; A86-Y164 HydrophobicContact CB-CD2 4.22Å; A86-Y164 HydrophobicContact CB-CG 4.45Å; A86-L401 HydrophobicContact CB-CD2 4.5Å
87	C	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-111.2	141.7	-179.6	-72.8	0	0	0	0	111.5	N85 H113 Y114 F115 W149 S150 L163	N85-C87 PolarHBondContact O-N 2.8Å; C87-H113 CarbonylContact C-O 3.54Å; C87-H113 VanDerWaalsContact CA-O 3.31Å; C87-H113 WeakPolarHBondContact CA-O 3.35Å; C87-Y114 VanDerWaalsContact SG-CD1 3.54Å; C87-F115 VanDerWaalsContact C-CE2 3.45Å; C87-F115 WeakPolarHBondContact O-CE2 3.42Å; C87-W149 HydrophobicContact CB-CB 4.3Å; C87-W149 VanDerWaalsContact SG-C 3.55Å; C87-S150 VanDerWaalsContact SG-CA 3.57Å; C87-S150 PolarHBondContact SG-N 3.16Å; C87-S150 VanDerWaalsContact SG-N 3.36Å; C87-L163 PolarHBondContact N-O 2.79Å; C87-L163 WeakPolarHBondContact O-CD1 3.22Å
88	V	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-66.3	123.4	168.5	-177	0	0	0	0	107.1	F106 Y107 H110 G112 H113 F115	V88-F106 HydrophobicContact CB-CE1 4.37Å; V88-F106 HydrophobicContact CG1-CD1 4.31Å; V88-F106 HydrophobicContact CG1-CE1 3.77Å; V88-F106 HydrophobicContact CG1-CZ 4.41Å; V88-F106 HydrophobicContact CG2-CE1 3.62Å; V88-F106 HydrophobicContact CG2-CZ 3.49Å; V88-F106 VanDerWaalsContact CG2-CZ 3.49Å; V88-Y107 HydrophobicContact CG1-CD1 3.48Å; V88-Y107 VanDerWaalsContact CG1-CD1 3.48Å; V88-Y107 HydrophobicContact CG1-CE1 4Å; V88-Y107 HydrophobicContact CG1-CG 4.38Å; V88-H110 HydrophobicContact CB-CB 4.29Å; V88-H110 WeakPolarHBondContact CB-O 3.32Å; V88-H110 HydrophobicContact CG1-CB 4.18Å; V88-H110 HydrophobicContact CG2-CB 4.04Å; V88-G112 PolarHBondContact O-N 2.93Å; V88-H113 PolarHBondContact N-O 2.84Å; V88-F115 HydrophobicContact CG2-CD1 3.76Å; V88-F115 HydrophobicContact CG2-CD2 4.12Å; V88-F115 HydrophobicContact CG2-CE1 3.88Å; V88-F115 HydrophobicContact CG2-CE2 4.23Å; V88-F115 HydrophobicContact CG2-CG 3.89Å; V88-F115 HydrophobicContact CG2-CZ 4.12Å
89	P	98.8	Very high	98.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-66.1	149.4	179.6	29.8	-34.5	0	0	0	110.1	F91 V95 Y107 G111 L163 W186	P89-F91 PolarHBondContact O-N 3.25Å; P89-V95 HydrophobicContact CB-CG2 4.06Å; P89-V95 HydrophobicContact CG-CG1 4.01Å; P89-V95 HydrophobicContact CG-CG2 4.08Å; P89-Y107 HydrophobicContact CG-CD1 4.07Å; P89-Y107 HydrophobicContact CG-CE1 3.95Å; P89-G111 WeakPolarHBondContact O-CA 3.15Å; P89-L163 HydrophobicContact CB-CD1 4.26Å; P89-L163 HydrophobicContact CG-CD1 4.03Å; P89-W186 HydrophobicContact CG-CZ3 4.03Å
90	P	98.8	Very high	98.7	Very high	36 Å²	36	21.7 Å²	21.7	23%	0.234	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-51.4	141.5	167.7	-25.4	35.5	0	0	0	110.8	T92 V95	P90-T92 VanDerWaalsContact C-N 3.27Å; P90-T92 PolarHBondContact O-N 2.86Å; P90-T92 PolarHBondContact O-OG1 3.25Å; P90-V95 WeakPolarHBondContact O-CG2 3.38Å
91	F	98.8	Very high	98.6	Very high	53 Å²	53	25.8 Å²	25.8	23%	0.232	12%	0.124	C	C	.	.			trans	-80	73.7	-175.7	-169	-119	0	0	0	112.4	P89 V95 K96 W104 Y107 Q108	P89-F91 PolarHBondContact O-N 3.25Å; F91-V95 HydrophobicContact CD2-CG1 4.13Å; F91-K96 HydrophobicContact CE1-CB 4.41Å; F91-K96 HydrophobicContact CE1-CD 4.41Å; F91-K96 HydrophobicContact CE1-CG 4.4Å; F91-K96 HydrophobicContact CE2-CB 3.79Å; F91-K96 HydrophobicContact CE2-CG 4.18Å; F91-K96 HydrophobicContact CZ-CB 3.71Å; F91-K96 HydrophobicContact CZ-CD 4.14Å; F91-K96 HydrophobicContact CZ-CG 3.66Å; F91-W104 HydrophobicContact CE1-CB 4.29Å; F91-W104 HydrophobicContact CE2-CB 4Å; F91-W104 AromaticContact CE2-CD1 3.75Å; F91-W104 AromaticContact CE2-CG 3.92Å; F91-W104 HydrophobicContact CE2-CG 3.92Å; F91-W104 HydrophobicContact CZ-CB 3.49Å; F91-W104 VanDerWaalsContact CZ-CB 3.49Å; F91-W104 AromaticContact CZ-CD1 3.76Å; F91-W104 HydrophobicContact CZ-CD2 4.08Å; F91-W104 AromaticContact CZ-CG 3.48Å; F91-W104 HydrophobicContact CZ-CG 3.48Å; F91-W104 VanDerWaalsContact CZ-CG 3.48Å; F91-Y107 HydrophobicContact CD2-CD2 4.45Å; F91-Y107 HydrophobicContact CD2-CG 4.06Å; F91-Y107 HydrophobicContact CE2-CD2 4.49Å; F91-Q108 HydrophobicContact CB-CG 4.31Å; F91-Q108 HydrophobicContact CD1-CB 4.47Å; F91-Q108 HydrophobicContact CD1-CG 3.24Å; F91-Q108 HydrophobicContact CE1-CG 3.6Å; F91-Q108 HydrophobicContact CG-CG 3.89Å; F91-Q108 HydrophobicContact CZ-CG 4.48Å
92	T	98.7	Very high	98.6	Very high	46 Å²	46	31.8 Å²	31.8	28%	0.282	15%	0.15	S	C	.	.			trans	-89.5	171.8	175.3	48	0	0	0	0	111.5	P90 E94 V95 K96	P90-T92 VanDerWaalsContact C-N 3.27Å; P90-T92 PolarHBondContact O-N 2.86Å; P90-T92 PolarHBondContact O-OG1 3.25Å; T92-E94 VanDerWaalsContact C-N 3.33Å; T92-E94 WeakPolarHBondContact CB-OE2 3.47Å; T92-E94 PolarHBondContact O-N 2.74Å; T92-E94 PolarHBondContact OG1-OE1 2.71Å; T92-E94 PolarHBondContact OG1-OE2 3.43Å; T92-V95 PolarHBondContact O-N 2.78Å; T92-V95 VanDerWaalsContact O-N 3.15Å; T92-K96 PolarHBondContact O-N 3.47Å
93	I	98.6	Very high	98.6	Very high	35 Å²	35	31 Å²	31	18%	0.179	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-37	-170.9	-168.8	59.1	0	0	0	112.6	K96 A97 Y223 V245	I93-K96 HydrophobicContact CD1-CD 4.35Å; I93-K96 PolarHBondContact O-N 3.34Å; I93-A97 WeakPolarHBondContact O-CB 3.46Å; I93-A97 PolarHBondContact O-N 3.11Å; I93-Y223 HydrophobicContact CG2-CG 4.43Å; I93-V245 HydrophobicContact CB-CG2 4.32Å; I93-V245 HydrophobicContact CG1-CG2 3.76Å; I93-V245 HydrophobicContact CG2-CG2 3.92Å
94	E	98.8	Very high	98.6	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-69.8	-32	175.9	77.3	-73.1	-177.4	0	0	112.3	T92 N98 W186 Y223 V245	T92-E94 VanDerWaalsContact C-N 3.33Å; T92-E94 WeakPolarHBondContact CB-OE2 3.47Å; T92-E94 PolarHBondContact O-N 2.74Å; T92-E94 PolarHBondContact OG1-OE1 2.71Å; T92-E94 PolarHBondContact OG1-OE2 3.43Å; E94-N98 WeakPolarHBondContact O-CB 3.31Å; E94-N98 PolarHBondContact O-N 3.42Å; E94-N98 PolarHBondContact O-OD1 2.93Å; E94-W186 HydrophobicContact CG-CB 4.42Å; E94-W186 VanDerWaalsContact CG-CD1 3.42Å; E94-W186 HydrophobicContact CG-CG 3.9Å; E94-W186 PolarHBondContact O-NE1 2.99Å; E94-Y223 HydrophobicContact CB-CD1 4.02Å; E94-Y223 HydrophobicContact CB-CE1 3.86Å; E94-Y223 HydrophobicContact CG-CE1 4.03Å; E94-V245 HydrophobicContact CB-CG1 4.34Å
95	V	98.8	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70	-43.3	172.3	175.9	0	0	0	0	110.2	P89 P90 F91 T92 N98 T99 Y107 W186	P89-V95 HydrophobicContact CB-CG2 4.06Å; P89-V95 HydrophobicContact CG-CG1 4.01Å; P89-V95 HydrophobicContact CG-CG2 4.08Å; P90-V95 WeakPolarHBondContact O-CG2 3.38Å; F91-V95 HydrophobicContact CD2-CG1 4.13Å; T92-V95 PolarHBondContact O-N 2.78Å; T92-V95 VanDerWaalsContact O-N 3.15Å; V95-N98 PolarHBondContact O-N 3.37Å; V95-T99 HydrophobicContact CG1-CG2 4.41Å; V95-T99 WeakPolarHBondContact O-CG2 3.32Å; V95-T99 PolarHBondContact O-N 3.26Å; V95-T99 PolarHBondContact O-OG1 2.98Å; V95-Y107 HydrophobicContact CG1-CD1 4.03Å; V95-Y107 HydrophobicContact CG1-CE1 4.31Å; V95-Y107 HydrophobicContact CG1-CG 4.25Å; V95-W186 HydrophobicContact CB-CH2 4.49Å; V95-W186 HydrophobicContact CG1-CH2 4.33Å; V95-W186 HydrophobicContact CG2-CD2 4.21Å; V95-W186 HydrophobicContact CG2-CE3 4.07Å; V95-W186 HydrophobicContact CG2-CH2 4.19Å; V95-W186 HydrophobicContact CG2-CZ2 4.3Å; V95-W186 HydrophobicContact CG2-CZ3 4.07Å
96	K	98.7	Very high	98.6	Very high	46 Å²	46	32.4 Å²	32.4	20%	0.2	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-47.2	177.1	-177	-176.4	-176.6	-158.4	0	111.9	F91 T92 I93 N98 T99 W104 I229	F91-K96 HydrophobicContact CE1-CB 4.41Å; F91-K96 HydrophobicContact CE1-CD 4.41Å; F91-K96 HydrophobicContact CE1-CG 4.4Å; F91-K96 HydrophobicContact CE2-CB 3.79Å; F91-K96 HydrophobicContact CE2-CG 4.18Å; F91-K96 HydrophobicContact CZ-CB 3.71Å; F91-K96 HydrophobicContact CZ-CD 4.14Å; F91-K96 HydrophobicContact CZ-CG 3.66Å; T92-K96 PolarHBondContact O-N 3.47Å; I93-K96 HydrophobicContact CD1-CD 4.35Å; I93-K96 PolarHBondContact O-N 3.34Å; K96-N98 PolarHBondContact O-N 3.01Å; K96-N98 VanDerWaalsContact O-N 3.14Å; K96-T99 PolarHBondContact O-N 3.26Å; K96-W104 HydrophobicContact CG-CD2 4.12Å; K96-W104 HydrophobicContact CG-CH2 4.34Å; K96-W104 HydrophobicContact CG-CZ2 3.83Å; K96-W104 PolarHBondContact O-NE1 3.22Å; K96-I229 HydrophobicContact CD-CG2 4.11Å; K96-I229 WeakPolarHBondContact CE-O 3.5Å; K96-I229 HydrophobicContact CG-CG2 4.23Å; K96-I229 PolarHBondContact NZ-O 3.46Å
97	A	98.4	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-24	-179.1	0	0	0	0	0	113.2	I93 Y227 R235 V245	I93-A97 WeakPolarHBondContact O-CB 3.46Å; I93-A97 PolarHBondContact O-N 3.11Å; A97-Y227 HydrophobicContact CB-CD1 4.09Å; A97-Y227 HydrophobicContact CB-CE1 4Å; A97-R235 WeakPolarHBondContact O-CD 3.35Å; A97-R235 PolarHBondContact O-NH1 2.95Å; A97-V245 HydrophobicContact CB-CB 3.73Å; A97-V245 HydrophobicContact CB-CG1 3.81Å; A97-V245 HydrophobicContact CB-CG2 4.12Å
98	N	98.6	Very high	98.6	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	2.7	-172	-79.3	79	0	0	0	114.6	E94 V95 K96 W186 Q271 P301 M302	E94-N98 WeakPolarHBondContact O-CB 3.31Å; E94-N98 PolarHBondContact O-N 3.42Å; E94-N98 PolarHBondContact O-OD1 2.93Å; V95-N98 PolarHBondContact O-N 3.37Å; K96-N98 PolarHBondContact O-N 3.01Å; K96-N98 VanDerWaalsContact O-N 3.14Å; N98-W186 HydrophobicContact CB-CZ2 3.58Å; N98-Q271 WeakPolarHBondContact OD1-CB 3.48Å; N98-P301 HydrophobicContact CB-CB 4.27Å; N98-P301 PolarHBondContact ND2-O 3.28Å; N98-M302 HydrophobicContact CB-CE 3.47Å; N98-M302 VanDerWaalsContact CB-CE 3.47Å; N98-M302 WeakPolarHBondContact ND2-CB 3.43Å; N98-M302 VanDerWaalsContact ND2-CE 3.34Å; N98-M302 WeakPolarHBondContact ND2-CE 3.19Å
99	T	98.4	Very high	98.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	22%	0.218	C	C	.	.	S	Bend	trans	-124.5	151.9	-178.6	53.5	0	0	0	0	111.1	V95 K96 W104 Y107 M353	V95-T99 HydrophobicContact CG1-CG2 4.41Å; V95-T99 WeakPolarHBondContact O-CG2 3.32Å; V95-T99 PolarHBondContact O-N 3.26Å; V95-T99 PolarHBondContact O-OG1 2.98Å; K96-T99 PolarHBondContact O-N 3.26Å; T99-W104 PolarHBondContact O-NE1 2.71Å; T99-W104 PolarHBondContact OG1-NE1 3.07Å; T99-Y107 HydrophobicContact CG2-CD2 4.35Å; T99-Y107 HydrophobicContact CG2-CE2 3.53Å; T99-M353 HydrophobicContact CG2-CG 4.19Å
100	Y	97.8	Very high	98.5	Very high	70 Å²	70	49 Å²	49	28%	0.275	23%	0.232	S	C	.	.			trans	-71.3	143.4	176.8	-74.1	-91.4	0	0	0	111.1	K102 Y103 V232 S354 S355	Y100-K102 PolarHBondContact O-N 3.2Å; Y100-K102 VanDerWaalsContact O-N 3.07Å; Y100-Y103 PolarHBondContact O-N 3.05Å; Y100-V232 HydrophobicContact CD1-CB 4.38Å; Y100-V232 HydrophobicContact CD1-CG2 3.45Å; Y100-V232 VanDerWaalsContact CD1-CG2 3.45Å; Y100-V232 HydrophobicContact CE1-CB 4.47Å; Y100-V232 HydrophobicContact CE1-CG1 4.17Å; Y100-V232 HydrophobicContact CE1-CG2 3.84Å; Y100-V232 HydrophobicContact CG-CG2 4.09Å; Y100-S354 WeakPolarHBondContact CE2-O 3.32Å; Y100-S355 VanDerWaalsContact OH-CB 3.31Å; Y100-S355 WeakPolarHBondContact OH-CB 3.14Å
101	E	97.6	Very high	98.5	Very high	85 Å²	85	48.7 Å²	48.7	40%	0.397	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-57.2	-29.1	-176.8	62.4	-84.2	-172.9	0	0	113.7	Y103 W104 V232	E101-Y103 PolarHBondContact O-N 3.03Å; E101-Y103 VanDerWaalsContact O-N 3.1Å; E101-W104 HydrophobicContact CB-CD2 3.94Å; E101-W104 HydrophobicContact CB-CE3 3.92Å; E101-W104 HydrophobicContact CB-CH2 4.1Å; E101-W104 HydrophobicContact CB-CZ2 4.1Å; E101-W104 HydrophobicContact CB-CZ3 4Å; E101-W104 PolarHBondContact O-N 3.06Å; E101-V232 WeakPolarHBondContact OE2-CG2 3.39Å; E101-V232 PolarHBondContact OE2-N 2.93Å; E101-V232 VanDerWaalsContact OE2-N 3.15Å
102	K	97.9	Very high	98.5	Very high	127 Å²	127	47.1 Å²	47.1	55%	0.552	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-51.2	-32.5	172.1	-178.7	-179.7	177.6	-175.5	0	112.9	Y100 D347	Y100-K102 PolarHBondContact O-N 3.2Å; Y100-K102 VanDerWaalsContact O-N 3.07Å; K102-D347 PolarHBondContact NZ-O 2.95Å
103	Y	98.5	Very high	98.5	Very high	29 Å²	29	50.5 Å²	50.5	11%	0.114	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-105.2	-5.1	-175.6	-58.8	-68.8	0	0	0	113.8	Y100 E101 P105 F106 Y107 L351 W352	Y100-Y103 PolarHBondContact O-N 3.05Å; E101-Y103 PolarHBondContact O-N 3.03Å; E101-Y103 VanDerWaalsContact O-N 3.1Å; Y103-P105 VanDerWaalsContact C-N 3.34Å; Y103-F106 WeakPolarHBondContact O-CA 3.25Å; Y103-F106 VanDerWaalsContact O-CB 3.28Å; Y103-F106 WeakPolarHBondContact O-CB 3.4Å; Y103-F106 PolarHBondContact O-N 2.55Å; Y103-Y107 WeakPolarHBondContact O-CD2 3.27Å; Y103-Y107 PolarHBondContact O-N 3.15Å; Y103-Y107 VanDerWaalsContact O-N 3.14Å; Y103-L351 WeakPolarHBondContact CD2-O 3.25Å; Y103-L351 WeakPolarHBondContact CE2-O 3.14Å; Y103-L351 PolarHBondContact OH-N 3.2Å; Y103-L351 VanDerWaalsContact OH-N 3.14Å; Y103-W352 AromaticContact CD1-CD1 3.96Å
104	W	98.7	Very high	98.5	Very high	29 Å²	29	52.3 Å²	52.3	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-54.1	-44	176.8	-65.3	-6.6	0	0	0	113	F91 K96 T99 E101 F106 Y107 Q108 I229 H230	F91-W104 HydrophobicContact CE1-CB 4.29Å; F91-W104 HydrophobicContact CE2-CB 4Å; F91-W104 AromaticContact CE2-CD1 3.75Å; F91-W104 AromaticContact CE2-CG 3.92Å; F91-W104 HydrophobicContact CE2-CG 3.92Å; F91-W104 HydrophobicContact CZ-CB 3.49Å; F91-W104 VanDerWaalsContact CZ-CB 3.49Å; F91-W104 AromaticContact CZ-CD1 3.76Å; F91-W104 HydrophobicContact CZ-CD2 4.08Å; F91-W104 AromaticContact CZ-CG 3.48Å; F91-W104 HydrophobicContact CZ-CG 3.48Å; F91-W104 VanDerWaalsContact CZ-CG 3.48Å; K96-W104 HydrophobicContact CG-CD2 4.12Å; K96-W104 HydrophobicContact CG-CH2 4.34Å; K96-W104 HydrophobicContact CG-CZ2 3.83Å; K96-W104 PolarHBondContact O-NE1 3.22Å; T99-W104 PolarHBondContact O-NE1 2.71Å; T99-W104 PolarHBondContact OG1-NE1 3.07Å; E101-W104 HydrophobicContact CB-CD2 3.94Å; E101-W104 HydrophobicContact CB-CE3 3.92Å; E101-W104 HydrophobicContact CB-CH2 4.1Å; E101-W104 HydrophobicContact CB-CZ2 4.1Å; E101-W104 HydrophobicContact CB-CZ3 4Å; E101-W104 PolarHBondContact O-N 3.06Å; W104-F106 PolarHBondContact O-N 2.83Å; W104-Y107 PolarHBondContact O-N 3.3Å; W104-Q108 VanDerWaalsContact O-CG 3.29Å; W104-Q108 WeakPolarHBondContact O-CG 3.48Å; W104-Q108 PolarHBondContact O-N 3.01Å; W104-I229 HydrophobicContact CH2-CG1 4.21Å; W104-I229 HydrophobicContact CZ2-CD1 4.03Å; W104-I229 HydrophobicContact CZ2-CG1 4.2Å; W104-H230 VanDerWaalsContact CH2-C 3.47Å; W104-H230 WeakPolarHBondContact CH2-O 3.49Å; W104-H230 WeakPolarHBondContact CZ3-O 3.5Å
105	P	98.8	Very high	98.5	Very high	79 Å²	79	52.2 Å²	52.2	51%	0.513	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-30.6	175.3	-23.8	35.7	0	0	0	113.7	Y103 K109	Y103-P105 VanDerWaalsContact C-N 3.34Å; P105-K109 VanDerWaalsContact O-CB 3.3Å; P105-K109 WeakPolarHBondContact O-CB 3.4Å; P105-K109 PolarHBondContact O-N 3.44Å; P105-K109 VanDerWaalsContact O-N 3.09Å
106	F	98.8	Very high	98.5	Very high	36 Å²	36	55 Å²	55	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-49	175.7	168.1	-93.7	0	0	0	110.7	V88 Y103 W104 Q108 K109 H110 F115 W352	V88-F106 HydrophobicContact CB-CE1 4.37Å; V88-F106 HydrophobicContact CG1-CD1 4.31Å; V88-F106 HydrophobicContact CG1-CE1 3.77Å; V88-F106 HydrophobicContact CG1-CZ 4.41Å; V88-F106 HydrophobicContact CG2-CE1 3.62Å; V88-F106 HydrophobicContact CG2-CZ 3.49Å; V88-F106 VanDerWaalsContact CG2-CZ 3.49Å; Y103-F106 WeakPolarHBondContact O-CA 3.25Å; Y103-F106 VanDerWaalsContact O-CB 3.28Å; Y103-F106 WeakPolarHBondContact O-CB 3.4Å; Y103-F106 PolarHBondContact O-N 2.55Å; W104-F106 PolarHBondContact O-N 2.83Å; F106-Q108 PolarHBondContact O-N 2.89Å; F106-K109 PolarHBondContact O-N 2.98Å; F106-H110 AromaticContact CD2-CD2 3.42Å; F106-H110 VanDerWaalsContact CD2-CD2 3.42Å; F106-H110 WeakPolarHBondContact CD2-CD2 3.4Å; F106-H110 HydrophobicContact CE2-CB 4.29Å; F106-H110 AromaticContact CE2-CD2 3.68Å; F106-H110 HydrophobicContact CZ-CB 4.41Å; F106-H110 VanDerWaalsContact O-CB 3.32Å; F106-H110 WeakPolarHBondContact O-CB 3.47Å; F106-H110 PolarHBondContact O-CD2 3.19Å; F106-H110 VanDerWaalsContact O-CD2 3.3Å; F106-H110 PolarHBondContact O-N 2.95Å; F106-F115 HydrophobicContact CE1-CD1 4.13Å; F106-F115 AromaticContact CE1-CE1 3.79Å; F106-F115 HydrophobicContact CE1-CE1 3.79Å; F106-F115 AromaticContact CZ-CD1 3.88Å; F106-F115 HydrophobicContact CZ-CD1 3.88Å; F106-F115 HydrophobicContact CZ-CE1 4.03Å; F106-W352 AromaticContact CD1-CD1 3.67Å; F106-W352 HydrophobicContact CD1-CG 4.42Å; F106-W352 AromaticContact CE1-CD1 3.56Å; F106-W352 HydrophobicContact CE1-CD2 4.41Å; F106-W352 HydrophobicContact CE1-CG 4.02Å; F106-W352 AromaticContact CE1-NE1 3.72Å; F106-W352 AromaticContact CE2-NE1 3.77Å; F106-W352 AromaticContact CZ-CD1 3.94Å; F106-W352 HydrophobicContact CZ-CD2 4.43Å; F106-W352 AromaticContact CZ-CE2 3.93Å; F106-W352 HydrophobicContact CZ-CG 4.46Å; F106-W352 HydrophobicContact CZ-CZ2 4.45Å; F106-W352 AromaticContact CZ-NE1 3.58Å
107	Y	98.8	Very high	98.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-41.4	177.3	-68.6	-75.4	0	0	0	112.5	V88 P89 F91 V95 T99 Y103 W104 K109 H110 G111 W352 M353	V88-Y107 HydrophobicContact CG1-CD1 3.48Å; V88-Y107 VanDerWaalsContact CG1-CD1 3.48Å; V88-Y107 HydrophobicContact CG1-CE1 4Å; V88-Y107 HydrophobicContact CG1-CG 4.38Å; P89-Y107 HydrophobicContact CG-CD1 4.07Å; P89-Y107 HydrophobicContact CG-CE1 3.95Å; F91-Y107 HydrophobicContact CD2-CD2 4.45Å; F91-Y107 HydrophobicContact CD2-CG 4.06Å; F91-Y107 HydrophobicContact CE2-CD2 4.49Å; V95-Y107 HydrophobicContact CG1-CD1 4.03Å; V95-Y107 HydrophobicContact CG1-CE1 4.31Å; V95-Y107 HydrophobicContact CG1-CG 4.25Å; T99-Y107 HydrophobicContact CG2-CD2 4.35Å; T99-Y107 HydrophobicContact CG2-CE2 3.53Å; Y103-Y107 WeakPolarHBondContact O-CD2 3.27Å; Y103-Y107 PolarHBondContact O-N 3.15Å; Y103-Y107 VanDerWaalsContact O-N 3.14Å; W104-Y107 PolarHBondContact O-N 3.3Å; Y107-K109 VanDerWaalsContact C-N 3.27Å; Y107-K109 PolarHBondContact O-N 2.88Å; Y107-H110 PolarHBondContact O-N 3.35Å; Y107-G111 WeakPolarHBondContact O-CA 3.4Å; Y107-G111 PolarHBondContact O-N 2.86Å; Y107-W352 WeakPolarHBondContact OH-CB 3.44Å; Y107-W352 PolarHBondContact OH-O 3.42Å; Y107-M353 WeakPolarHBondContact OH-CG 3.48Å
108	Q	98.6	Very high	98.5	Very high	130 Å²	130	66.2 Å²	66.2	61%	0.607	32%	0.324	S	S	*	.	H	α-helix	trans	-57.7	-41.3	175.9	-73.8	174.2	-37.5	0	0	112.2	F91 W104 F106	F91-Q108 HydrophobicContact CB-CG 4.31Å; F91-Q108 HydrophobicContact CD1-CB 4.47Å; F91-Q108 HydrophobicContact CD1-CG 3.24Å; F91-Q108 HydrophobicContact CE1-CG 3.6Å; F91-Q108 HydrophobicContact CG-CG 3.89Å; F91-Q108 HydrophobicContact CZ-CG 4.48Å; W104-Q108 VanDerWaalsContact O-CG 3.29Å; W104-Q108 WeakPolarHBondContact O-CG 3.48Å; W104-Q108 PolarHBondContact O-N 3.01Å; F106-Q108 PolarHBondContact O-N 2.89Å
109	K	98.6	Very high	98.5	Very high	158 Å²	158	67.1 Å²	67.1	69%	0.687	33%	0.328	S	S	*	.	H	α-helix	trans	-81.9	-34.7	-177.3	-177.2	175.3	177.8	-179	0	113.4	P105 F106 Y107	P105-K109 VanDerWaalsContact O-CB 3.3Å; P105-K109 WeakPolarHBondContact O-CB 3.4Å; P105-K109 PolarHBondContact O-N 3.44Å; P105-K109 VanDerWaalsContact O-N 3.09Å; F106-K109 PolarHBondContact O-N 2.98Å; Y107-K109 VanDerWaalsContact C-N 3.27Å; Y107-K109 PolarHBondContact O-N 2.88Å
110	H	98.7	Very high	98.5	Very high	61 Å²	61	67.7 Å²	67.7	28%	0.282	33%	0.331	S	S	.	.	H	α-helix	trans	-111.7	-1.9	-167.6	-64.2	-74.7	0	0	0	114.5	V88 F106 Y107 G112 H113	V88-H110 HydrophobicContact CB-CB 4.29Å; V88-H110 WeakPolarHBondContact CB-O 3.32Å; V88-H110 HydrophobicContact CG1-CB 4.18Å; V88-H110 HydrophobicContact CG2-CB 4.04Å; F106-H110 AromaticContact CD2-CD2 3.42Å; F106-H110 VanDerWaalsContact CD2-CD2 3.42Å; F106-H110 WeakPolarHBondContact CD2-CD2 3.4Å; F106-H110 HydrophobicContact CE2-CB 4.29Å; F106-H110 AromaticContact CE2-CD2 3.68Å; F106-H110 HydrophobicContact CZ-CB 4.41Å; F106-H110 VanDerWaalsContact O-CB 3.32Å; F106-H110 WeakPolarHBondContact O-CB 3.47Å; F106-H110 PolarHBondContact O-CD2 3.19Å; F106-H110 VanDerWaalsContact O-CD2 3.3Å; F106-H110 PolarHBondContact O-N 2.95Å; Y107-H110 PolarHBondContact O-N 3.35Å; H110-G112 PolarHBondContact O-N 3.12Å; H110-H113 VanDerWaalsContact O-CB 3.3Å; H110-H113 WeakPolarHBondContact O-CB 3.36Å; H110-H113 PolarHBondContact O-N 2.91Å
111	G	98.6	Very high	98.5	Very high	29 Å²	29	71.7 Å²	71.7	30%	0.299	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	127	178.8	0	0	0	0	0	113.3	P89 Y107 H113	P89-G111 WeakPolarHBondContact O-CA 3.15Å; Y107-G111 WeakPolarHBondContact O-CA 3.4Å; Y107-G111 PolarHBondContact O-N 2.86Å; G111-H113 VanDerWaalsContact C-N 3.34Å
112	G	97.4	Very high	98.6	Very high	21 Å²	21	73.1 Å²	73.1	22%	0.216	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-5.9	-174.6	0	0	0	0	0	115	V88 H110	V88-G112 PolarHBondContact O-N 2.93Å; H110-G112 PolarHBondContact O-N 3.12Å
113	H	98.6	Very high	98.6	Very high	117 Å²	117	67 Å²	67	54%	0.542	33%	0.329	S	S	.	.	S	Bend	trans	-97.9	161.8	172.3	-60.2	-37.6	0	0	0	111.6	C87 V88 H110 G111	C87-H113 CarbonylContact C-O 3.54Å; C87-H113 VanDerWaalsContact CA-O 3.31Å; C87-H113 WeakPolarHBondContact CA-O 3.35Å; V88-H113 PolarHBondContact N-O 2.84Å; H110-H113 VanDerWaalsContact O-CB 3.3Å; H110-H113 WeakPolarHBondContact O-CB 3.36Å; H110-H113 PolarHBondContact O-N 2.91Å; G111-H113 VanDerWaalsContact C-N 3.34Å
114	Y	98.8	Very high	98.6	Very high	73 Å²	73	67.5 Å²	67.5	29%	0.286	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-60	146.1	169.9	-63.2	-72.7	0	0	0	111.3	N85 A86 C87 D148 S150	N85-Y114 HydrophobicContact CB-CD1 4.48Å; N85-Y114 HydrophobicContact CB-CE1 3.85Å; N85-Y114 WeakPolarHBondContact O-CD1 3.43Å; N85-Y114 WeakPolarHBondContact O-CE1 3.48Å; A86-Y114 WeakPolarHBondContact O-CA 3.14Å; C87-Y114 VanDerWaalsContact SG-CD1 3.54Å; Y114-D148 PolarHBondContact OH-OD1 3.16Å; Y114-S150 PolarHBondContact OH-OG 3.08Å; Y114-S150 VanDerWaalsContact OH-OG 3.12Å
115	F	98.8	Very high	98.6	Very high	1 Å²	1	70.7 Å²	70.7	0%	0.004	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-56.1	157.7	161.2	-80	-83.5	0	0	0	110.2	A86 C87 V88 F106 K117 L120 L163 W352 M353 L401	A86-F115 HydrophobicContact CB-CD2 3.91Å; A86-F115 PolarHBondContact O-N 3.5Å; C87-F115 VanDerWaalsContact C-CE2 3.45Å; C87-F115 WeakPolarHBondContact O-CE2 3.42Å; V88-F115 HydrophobicContact CG2-CD1 3.76Å; V88-F115 HydrophobicContact CG2-CD2 4.12Å; V88-F115 HydrophobicContact CG2-CE1 3.88Å; V88-F115 HydrophobicContact CG2-CE2 4.23Å; V88-F115 HydrophobicContact CG2-CG 3.89Å; V88-F115 HydrophobicContact CG2-CZ 4.12Å; F106-F115 HydrophobicContact CE1-CD1 4.13Å; F106-F115 AromaticContact CE1-CE1 3.79Å; F106-F115 HydrophobicContact CE1-CE1 3.79Å; F106-F115 AromaticContact CZ-CD1 3.88Å; F106-F115 HydrophobicContact CZ-CD1 3.88Å; F106-F115 HydrophobicContact CZ-CE1 4.03Å; F115-K117 PolarHBondContact O-N 3.21Å; F115-L120 HydrophobicContact CB-CD1 4.04Å; F115-L120 HydrophobicContact CB-CD2 3.85Å; F115-L120 HydrophobicContact CB-CG 3.98Å; F115-L163 HydrophobicContact CE2-CD1 4.44Å; F115-W352 HydrophobicContact CB-CZ3 4.38Å; F115-W352 AromaticContact CD1-CD2 3.62Å; F115-W352 HydrophobicContact CD1-CD2 3.62Å; F115-W352 AromaticContact CD1-CE3 3.27Å; F115-W352 HydrophobicContact CD1-CE3 3.27Å; F115-W352 HydrophobicContact CD1-CG 4.36Å; F115-W352 AromaticContact CD1-CH2 3.92Å; F115-W352 HydrophobicContact CD1-CH2 3.92Å; F115-W352 HydrophobicContact CD1-CZ2 4.19Å; F115-W352 AromaticContact CD1-CZ3 3.44Å; F115-W352 HydrophobicContact CD1-CZ3 3.44Å; F115-W352 VanDerWaalsContact CD1-CZ3 3.44Å; F115-W352 HydrophobicContact CE1-CB 4Å; F115-W352 AromaticContact CE1-CD2 3.49Å; F115-W352 HydrophobicContact CE1-CD2 3.49Å; F115-W352 VanDerWaalsContact CE1-CD2 3.49Å; F115-W352 AromaticContact CE1-CE3 3.33Å; F115-W352 HydrophobicContact CE1-CE3 3.33Å; F115-W352 AromaticContact CE1-CG 3.79Å; F115-W352 HydrophobicContact CE1-CG 3.79Å; F115-W352 HydrophobicContact CE1-CZ3 4.01Å; F115-W352 HydrophobicContact CG-CE3 4.31Å; F115-W352 HydrophobicContact CG-CZ3 4.17Å; F115-W352 HydrophobicContact CZ-CE3 4.39Å; F115-M353 HydrophobicContact CZ-CE 4.14Å; F115-L401 HydrophobicContact CD1-CD2 4.32Å; F115-L401 HydrophobicContact CD2-CD2 4.03Å; F115-L401 HydrophobicContact CE2-CD2 4.22Å; F115-L401 HydrophobicContact CG-CD2 4.08Å; F115-L401 HydrophobicContact CZ-CD2 4.47Å
116	P	98.7	Very high	98.7	Very high	59 Å²	59	67.8 Å²	67.8	38%	0.383	34%	0.337	S	S	.	.			trans	-49.6	115.5	-179.1	-29.8	36.7	0	0	0	112.5	D118 H119 L120 W352	P116-D118 VanDerWaalsContact C-N 3.28Å; P116-D118 PolarHBondContact O-N 3.42Å; P116-H119 HydrophobicContact CB-CB 4.09Å; P116-H119 WeakPolarHBondContact O-CA 3.43Å; P116-H119 VanDerWaalsContact O-CB 3.24Å; P116-H119 WeakPolarHBondContact O-CB 3.44Å; P116-H119 PolarHBondContact O-N 3.46Å; P116-L120 PolarHBondContact O-N 2.81Å; P116-W352 HydrophobicContact CG-CH2 4.13Å; P116-W352 HydrophobicContact CG-CZ2 3.8Å
117	K	98.3	Very high	98.7	Very high	150 Å²	150	66.1 Å²	66.1	65%	0.652	33%	0.329	S	S	*	.	H	α-helix	trans	-59.9	-36.4	-170	-68.9	-173.7	176.8	-176.2	0	113.2	F115 H119 L120 K121	F115-K117 PolarHBondContact O-N 3.21Å; K117-H119 VanDerWaalsContact C-N 3.26Å; K117-H119 PolarHBondContact O-N 2.93Å; K117-L120 PolarHBondContact O-N 3.48Å; K117-K121 WeakPolarHBondContact O-CB 3.47Å; K117-K121 PolarHBondContact O-N 3.12Å
118	D	98.5	Very high	98.7	Very high	132 Å²	132	69.1 Å²	69.1	71%	0.706	34%	0.343	S	S	*	.	H	α-helix	trans	-65	-33.1	176.3	-65.4	-29.6	0	0	0	112.2	P116 K122	P116-D118 VanDerWaalsContact C-N 3.28Å; P116-D118 PolarHBondContact O-N 3.42Å; D118-K122 WeakPolarHBondContact O-CG 3.38Å; D118-K122 PolarHBondContact O-N 3.36Å
119	H	98.8	Very high	98.7	Very high	23 Å²	23	67.2 Å²	67.2	11%	0.106	34%	0.335	C	S	.	.	H	α-helix	trans	-71.8	-45.5	174.7	-159.4	101.9	0	0	0	110.9	P116 K117 K121 K122 A123 W352 N397 S400	P116-H119 HydrophobicContact CB-CB 4.09Å; P116-H119 WeakPolarHBondContact O-CA 3.43Å; P116-H119 VanDerWaalsContact O-CB 3.24Å; P116-H119 WeakPolarHBondContact O-CB 3.44Å; P116-H119 PolarHBondContact O-N 3.46Å; K117-H119 VanDerWaalsContact C-N 3.26Å; K117-H119 PolarHBondContact O-N 2.93Å; H119-K121 VanDerWaalsContact C-N 3.29Å; H119-K121 PolarHBondContact O-N 3.18Å; H119-K122 PolarHBondContact O-N 3.26Å; H119-A123 PolarHBondContact O-N 3.14Å; H119-W352 HydrophobicContact CB-CH2 4.01Å; H119-W352 AromaticContact CD2-CH2 3.7Å; H119-W352 AromaticContact CD2-CZ3 3.86Å; H119-W352 AromaticContact CG-CH2 3.65Å; H119-N397 PolarHBondContact CD2-O 3.47Å; H119-N397 PolarHBondContact NE2-O 2.93Å; H119-S400 PolarHBondContact CE1-OG 3.3Å; H119-S400 WeakPolarHBondContact NE2-CB 3.38Å; H119-S400 PolarHBondContact NE2-OG 3.39Å
120	L	98.8	Very high	98.7	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.068	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-39.7	175.7	-65.8	-176	0	0	0	112	A86 F115 P116 K117 K122 A123 V124 L401	A86-L120 HydrophobicContact CB-CD1 4.26Å; A86-L120 HydrophobicContact CB-CD2 3.95Å; F115-L120 HydrophobicContact CB-CD1 4.04Å; F115-L120 HydrophobicContact CB-CD2 3.85Å; F115-L120 HydrophobicContact CB-CG 3.98Å; P116-L120 PolarHBondContact O-N 2.81Å; K117-L120 PolarHBondContact O-N 3.48Å; L120-K122 VanDerWaalsContact C-N 3.3Å; L120-K122 PolarHBondContact O-N 3.31Å; L120-A123 PolarHBondContact O-N 3.12Å; L120-V124 WeakPolarHBondContact O-CG2 3.27Å; L120-V124 PolarHBondContact O-N 2.9Å; L120-L401 HydrophobicContact CD2-CD1 4.05Å; L120-L401 HydrophobicContact CD2-CD2 3.98Å
121	K	98.8	Very high	98.7	Very high	153 Å²	153	56.8 Å²	56.8	67%	0.665	29%	0.288	S	S	*	.	H	α-helix	trans	-59.4	-40.7	177.1	-172.6	177.3	180	-179.2	0	112.2	K117 H119 T125	K117-K121 WeakPolarHBondContact O-CB 3.47Å; K117-K121 PolarHBondContact O-N 3.12Å; H119-K121 VanDerWaalsContact C-N 3.29Å; H119-K121 PolarHBondContact O-N 3.18Å; K121-T125 PolarHBondContact O-N 3.22Å; K121-T125 PolarHBondContact O-OG1 3.41Å
122	K	98.8	Very high	98.7	Very high	115 Å²	115	58.6 Å²	58.6	50%	0.5	29%	0.291	S	S	.	.	H	α-helix	trans	-67	-45.3	175.2	-64.7	171.3	-174	175.4	0	111.3	D118 H119 L120 V124 T125 E126 N397	D118-K122 WeakPolarHBondContact O-CG 3.38Å; D118-K122 PolarHBondContact O-N 3.36Å; H119-K122 PolarHBondContact O-N 3.26Å; L120-K122 VanDerWaalsContact C-N 3.3Å; L120-K122 PolarHBondContact O-N 3.31Å; K122-V124 VanDerWaalsContact C-N 3.31Å; K122-V124 PolarHBondContact O-N 2.9Å; K122-T125 PolarHBondContact O-N 3.43Å; K122-T125 VanDerWaalsContact O-N 3.13Å; K122-E126 WeakPolarHBondContact O-CG 3.37Å; K122-E126 PolarHBondContact O-N 2.78Å; K122-N397 HydrophobicContact CB-CB 3.76Å; K122-N397 VanDerWaalsContact CD-OD1 3.32Å; K122-N397 WeakPolarHBondContact CD-OD1 3.34Å
123	A	98.8	Very high	98.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-40.9	176.4	0	0	0	0	0	112	A83 H119 L120 T125 E126 I127 N397 A398	A83-A123 HydrophobicContact CB-CB 3.93Å; H119-A123 PolarHBondContact O-N 3.14Å; L120-A123 PolarHBondContact O-N 3.12Å; A123-T125 PolarHBondContact O-N 2.89Å; A123-E126 PolarHBondContact O-N 2.81Å; A123-I127 WeakPolarHBondContact O-CB 3.47Å; A123-I127 VanDerWaalsContact O-CG1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.32Å; A123-I127 PolarHBondContact O-N 3.05Å; A123-N397 HydrophobicContact CB-CB 4.49Å; A123-A398 HydrophobicContact CB-CB 4.07Å
124	V	98.9	Very high	98.8	Very high	39 Å²	39	53 Å²	53	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-49.6	173.5	171	0	0	0	0	110.6	A83 E84 L120 K122 E126 I127 E128	A83-V124 HydrophobicContact CB-CG2 3.89Å; E84-V124 HydrophobicContact CG-CG2 3.95Å; L120-V124 WeakPolarHBondContact O-CG2 3.27Å; L120-V124 PolarHBondContact O-N 2.9Å; K122-V124 VanDerWaalsContact C-N 3.31Å; K122-V124 PolarHBondContact O-N 2.9Å; V124-E126 PolarHBondContact O-N 2.78Å; V124-I127 PolarHBondContact O-N 2.9Å; V124-E128 HydrophobicContact CG1-CG 4.33Å; V124-E128 WeakPolarHBondContact O-CG 3.33Å; V124-E128 PolarHBondContact O-N 3.03Å
125	T	98.9	Very high	98.8	Very high	95 Å²	95	55 Å²	55	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-59.9	-43.7	178.8	-62.1	0	0	0	0	112.7	K121 K122 A123 E129	K121-T125 PolarHBondContact O-N 3.22Å; K121-T125 PolarHBondContact O-OG1 3.41Å; K122-T125 PolarHBondContact O-N 3.43Å; K122-T125 VanDerWaalsContact O-N 3.13Å; A123-T125 PolarHBondContact O-N 2.89Å; T125-E129 PolarHBondContact O-N 3.1Å; T125-E129 VanDerWaalsContact O-N 3.1Å
126	E	98.9	Very high	98.8	Very high	19 Å²	19	61.5 Å²	61.5	9%	0.089	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-43.1	177.7	-71.2	171.8	170.7	0	0	112.2	K122 A123 V124 E129 M130 N394 I395 R396 N397 A398	K122-E126 WeakPolarHBondContact O-CG 3.37Å; K122-E126 PolarHBondContact O-N 2.78Å; A123-E126 PolarHBondContact O-N 2.81Å; V124-E126 PolarHBondContact O-N 2.78Å; E126-E129 PolarHBondContact O-N 3.26Å; E126-M130 PolarHBondContact O-N 2.75Å; E126-N394 WeakPolarHBondContact CB-O 3.44Å; E126-N394 WeakPolarHBondContact CG-O 3.46Å; E126-I395 HydrophobicContact CB-CG2 4.43Å; E126-I395 WeakPolarHBondContact OE2-CA 3.25Å; E126-R396 PolarHBondContact OE1-N 2.9Å; E126-R396 PolarHBondContact OE2-N 3.33Å; E126-N397 PolarHBondContact OE1-N 2.91Å; E126-N397 PolarHBondContact OE1-ND2 3.35Å; E126-N397 WeakPolarHBondContact OE2-CA 3.3Å; E126-N397 WeakPolarHBondContact OE2-CB 3.43Å; E126-N397 PolarHBondContact OE2-N 2.78Å; E126-A398 PolarHBondContact OE2-N 3.37Å
127	I	98.9	Very high	98.8	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-75.5	-32.9	-178.1	-63.5	-63.4	0	0	0	112.1	V80 A123 V124 E129 M130 C131 I395 A398 W408	V80-I127 HydrophobicContact CG1-CG2 3.71Å; A123-I127 WeakPolarHBondContact O-CB 3.47Å; A123-I127 VanDerWaalsContact O-CG1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.32Å; A123-I127 PolarHBondContact O-N 3.05Å; V124-I127 PolarHBondContact O-N 2.9Å; I127-E129 VanDerWaalsContact C-N 3.29Å; I127-M130 HydrophobicContact CD1-SD 4.09Å; I127-M130 WeakPolarHBondContact O-CB 3.47Å; I127-M130 PolarHBondContact O-N 2.99Å; I127-C131 PolarHBondContact O-N 3.46Å; I127-C131 PolarHBondContact O-SG 3.33Å; I127-I395 HydrophobicContact CD1-CG2 4.11Å; I127-A398 HydrophobicContact CD1-CB 3.83Å; I127-A398 HydrophobicContact CG1-CB 3.89Å; I127-W408 HydrophobicContact CB-CZ3 4.37Å; I127-W408 HydrophobicContact CD1-CD2 3.46Å; I127-W408 VanDerWaalsContact CD1-CD2 3.46Å; I127-W408 HydrophobicContact CD1-CE3 3.44Å; I127-W408 VanDerWaalsContact CD1-CE3 3.44Å; I127-W408 HydrophobicContact CD1-CG 3.98Å; I127-W408 HydrophobicContact CD1-CH2 4.18Å; I127-W408 HydrophobicContact CD1-CZ2 4.2Å; I127-W408 HydrophobicContact CD1-CZ3 3.82Å; I127-W408 HydrophobicContact CG1-CD2 4.15Å; I127-W408 HydrophobicContact CG1-CE3 3.73Å; I127-W408 HydrophobicContact CG1-CH2 3.81Å; I127-W408 HydrophobicContact CG1-CZ2 4.21Å; I127-W408 HydrophobicContact CG1-CZ3 3.55Å; I127-W408 HydrophobicContact CG2-CE3 4.14Å; I127-W408 HydrophobicContact CG2-CZ3 4.14Å
128	E	98.9	Very high	98.8	Very high	63 Å²	63	57.5 Å²	57.5	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-39	169.6	-70.1	-48.3	131	0	0	111.3	V124 C131 N132 R143	V124-E128 HydrophobicContact CG1-CG 4.33Å; V124-E128 WeakPolarHBondContact O-CG 3.33Å; V124-E128 PolarHBondContact O-N 3.03Å; E128-C131 WeakPolarHBondContact O-CB 3.5Å; E128-C131 PolarHBondContact O-N 3.41Å; E128-N132 VanDerWaalsContact O-CG 3.31Å; E128-N132 PolarHBondContact O-N 3.14Å; E128-N132 PolarHBondContact O-ND2 3.32Å; E128-R143 VanDerWaalsContact CD-NH1 3.32Å; E128-R143 IonicContact OE1-CZ 3.57Å; E128-R143 IonicContact OE1-NH1 3.92Å; E128-R143 PolarHBondContact OE1-NH1 3.3Å; E128-R143 IonicContact OE1-NH2 3.14Å; E128-R143 PolarHBondContact OE1-NH2 3.25Å; E128-R143 VanDerWaalsContact OE1-NH2 3.11Å; E128-R143 IonicContact OE2-NH1 3.64Å; E128-R143 PolarHBondContact OE2-NH1 3.18Å
129	E	98.9	Very high	98.8	Very high	90 Å²	90	51.5 Å²	51.5	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-68.3	-41.1	175.7	-176	55.2	-162.4	0	0	112.3	T125 E126 I127 C131 N132 I133	T125-E129 PolarHBondContact O-N 3.1Å; T125-E129 VanDerWaalsContact O-N 3.1Å; E126-E129 PolarHBondContact O-N 3.26Å; I127-E129 VanDerWaalsContact C-N 3.29Å; E129-C131 PolarHBondContact O-N 3.07Å; E129-N132 WeakPolarHBondContact O-CB 3.44Å; E129-N132 PolarHBondContact O-N 3.2Å; E129-N132 VanDerWaalsContact O-N 3.08Å; E129-N132 PolarHBondContact OE2-ND2 2.82Å; E129-I133 HydrophobicContact CG-CD1 4.12Å; E129-I133 WeakPolarHBondContact O-CG1 3.44Å; E129-I133 PolarHBondContact O-N 3.04Å
130	M	98.9	Very high	98.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54.3	-42.9	169.8	-179.9	-176.4	169.3	0	0	111.6	E126 I127 I133 L134 M371 V393 I395 F405 T409	E126-M130 PolarHBondContact O-N 2.75Å; I127-M130 HydrophobicContact CD1-SD 4.09Å; I127-M130 WeakPolarHBondContact O-CB 3.47Å; I127-M130 PolarHBondContact O-N 2.99Å; M130-I133 PolarHBondContact O-N 2.92Å; M130-L134 HydrophobicContact CE-CD1 4.15Å; M130-L134 HydrophobicContact CG-CD1 4.28Å; M130-L134 WeakPolarHBondContact O-CG 3.47Å; M130-L134 PolarHBondContact O-N 3.42Å; M130-M371 HydrophobicContact CE-SD 3.84Å; M130-M371 HydrophobicContact CG-SD 3.79Å; M130-M371 HydrophobicContact SD-SD 4.37Å; M130-V393 HydrophobicContact CB-CG1 4Å; M130-V393 HydrophobicContact CG-CG1 4.47Å; M130-I395 HydrophobicContact SD-CG2 4.48Å; M130-F405 HydrophobicContact CE-CB 4.34Å; M130-F405 HydrophobicContact CE-CD1 3.9Å; M130-F405 HydrophobicContact SD-CD1 3.92Å; M130-F405 HydrophobicContact SD-CE1 4.43Å; M130-T409 HydrophobicContact CE-CG2 3.43Å; M130-T409 VanDerWaalsContact CE-CG2 3.43Å
131	C	98.9	Very high	98.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-39.1	176.3	-67.8	0	0	0	0	112.5	I127 E128 E129 K135 V141 R143	I127-C131 PolarHBondContact O-N 3.46Å; I127-C131 PolarHBondContact O-SG 3.33Å; E128-C131 WeakPolarHBondContact O-CB 3.5Å; E128-C131 PolarHBondContact O-N 3.41Å; E129-C131 PolarHBondContact O-N 3.07Å; C131-K135 VanDerWaalsContact O-CG 3.28Å; C131-K135 WeakPolarHBondContact O-CG 3.36Å; C131-K135 PolarHBondContact O-N 3.07Å; C131-K135 VanDerWaalsContact O-N 3.12Å; C131-V141 HydrophobicContact CB-CG1 4.21Å; C131-R143 PolarHBondContact SG-NH1 3.21Å; C131-R143 VanDerWaalsContact SG-NH1 3.39Å
132	N	98.9	Very high	98.9	Very high	67 Å²	67	50.3 Å²	50.3	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-45	176.3	-66.8	-26.4	0	0	0	111	E128 E129 K135 M136	E128-N132 VanDerWaalsContact O-CG 3.31Å; E128-N132 PolarHBondContact O-N 3.14Å; E128-N132 PolarHBondContact O-ND2 3.32Å; E129-N132 WeakPolarHBondContact O-CB 3.44Å; E129-N132 PolarHBondContact O-N 3.2Å; E129-N132 VanDerWaalsContact O-N 3.08Å; E129-N132 PolarHBondContact OE2-ND2 2.82Å; N132-K135 PolarHBondContact O-N 2.84Å; N132-M136 WeakPolarHBondContact O-CG 3.42Å; N132-M136 PolarHBondContact O-N 3.45Å
133	I	98.9	Very high	98.9	Very high	21 Å²	21	46.7 Å²	46.7	11%	0.108	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-46.4	177.9	-65.9	170.3	0	0	0	110.8	E129 M130 K135 M136 E137 M371 I391 V393	E129-I133 HydrophobicContact CG-CD1 4.12Å; E129-I133 WeakPolarHBondContact O-CG1 3.44Å; E129-I133 PolarHBondContact O-N 3.04Å; M130-I133 PolarHBondContact O-N 2.92Å; I133-K135 VanDerWaalsContact C-N 3.29Å; I133-K135 PolarHBondContact O-N 2.86Å; I133-M136 HydrophobicContact CB-CE 4.23Å; I133-M136 HydrophobicContact CG1-CE 3.71Å; I133-M136 WeakPolarHBondContact O-CB 3.48Å; I133-M136 PolarHBondContact O-N 3.42Å; I133-M136 VanDerWaalsContact O-N 3.08Å; I133-E137 HydrophobicContact CG2-CG 4.43Å; I133-E137 WeakPolarHBondContact O-CG 3.44Å; I133-E137 PolarHBondContact O-N 2.86Å; I133-M371 HydrophobicContact CG2-CE 3.97Å; I133-I391 HydrophobicContact CG2-CG2 3.54Å; I133-V393 HydrophobicContact CD1-CB 4.41Å; I133-V393 HydrophobicContact CD1-CG1 4.17Å; I133-V393 HydrophobicContact CD1-CG2 3.64Å; I133-V393 HydrophobicContact CG2-CG2 4.21Å
134	L	98.9	Very high	98.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-41.9	174.8	-75.4	167	0	0	0	112.7	V78 V80 M130 E137 G138 V139 V141 L363 L365 M371	V78-L134 HydrophobicContact CG1-CD1 4.03Å; V80-L134 HydrophobicContact CG2-CD1 3.64Å; M130-L134 HydrophobicContact CE-CD1 4.15Å; M130-L134 HydrophobicContact CG-CD1 4.28Å; M130-L134 WeakPolarHBondContact O-CG 3.47Å; M130-L134 PolarHBondContact O-N 3.42Å; L134-E137 CarbonylContact O-C 3.24Å; L134-E137 PolarHBondContact O-N 3.37Å; L134-G138 PolarHBondContact O-N 3.19Å; L134-V139 HydrophobicContact CB-CB 4.35Å; L134-V139 HydrophobicContact CD2-CG2 4.4Å; L134-V139 WeakPolarHBondContact O-CB 3.09Å; L134-V139 PolarHBondContact O-N 2.99Å; L134-V141 HydrophobicContact CB-CG2 3.65Å; L134-V141 HydrophobicContact CD1-CG2 4.23Å; L134-L363 HydrophobicContact CD2-CD2 4.4Å; L134-L365 HydrophobicContact CD2-CD2 3.73Å; L134-M371 HydrophobicContact CD2-CE 3.77Å; L134-M371 HydrophobicContact CG-CE 3.86Å
135	K	98.9	Very high	98.9	Very high	113 Å²	113	47.8 Å²	47.8	49%	0.491	25%	0.25	S	S	.	.	H	α-helix	trans	-65.5	-39.8	176	-67.9	165	-170.1	167.3	0	112.1	C131 N132 I133 E137 G138 V141	C131-K135 VanDerWaalsContact O-CG 3.28Å; C131-K135 WeakPolarHBondContact O-CG 3.36Å; C131-K135 PolarHBondContact O-N 3.07Å; C131-K135 VanDerWaalsContact O-N 3.12Å; N132-K135 PolarHBondContact O-N 2.84Å; I133-K135 VanDerWaalsContact C-N 3.29Å; I133-K135 PolarHBondContact O-N 2.86Å; K135-E137 VanDerWaalsContact C-N 3.26Å; K135-E137 PolarHBondContact O-N 3.23Å; K135-G138 PolarHBondContact O-N 3.02Å; K135-V141 HydrophobicContact CG-CB 4.44Å; K135-V141 HydrophobicContact CG-CG2 4.02Å
136	M	98.8	Very high	98.8	Very high	139 Å²	139	47.6 Å²	47.6	69%	0.685	25%	0.251	S	S	*	.	H	α-helix	trans	-64.3	-32.5	174.8	-70	-173.1	-66	0	0	112	N132 I133 G138	N132-M136 WeakPolarHBondContact O-CG 3.42Å; N132-M136 PolarHBondContact O-N 3.45Å; I133-M136 HydrophobicContact CB-CE 4.23Å; I133-M136 HydrophobicContact CG1-CE 3.71Å; I133-M136 WeakPolarHBondContact O-CB 3.48Å; I133-M136 PolarHBondContact O-N 3.42Å; I133-M136 VanDerWaalsContact O-N 3.08Å; M136-G138 PolarHBondContact O-N 3.07Å
137	E	98.8	Very high	98.8	Very high	63 Å²	63	47.9 Å²	47.9	29%	0.294	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	3.6	173.6	-64.8	-65.8	143.8	0	0	113.5	I133 L134 K135 L365 R369 I391	I133-E137 HydrophobicContact CG2-CG 4.43Å; I133-E137 WeakPolarHBondContact O-CG 3.44Å; I133-E137 PolarHBondContact O-N 2.86Å; L134-E137 CarbonylContact O-C 3.24Å; L134-E137 PolarHBondContact O-N 3.37Å; K135-E137 VanDerWaalsContact C-N 3.26Å; K135-E137 PolarHBondContact O-N 3.23Å; E137-L365 HydrophobicContact CB-CD1 3.72Å; E137-L365 HydrophobicContact CG-CD1 3.7Å; E137-R369 IonicContact OE2-CZ 3.75Å; E137-R369 IonicContact OE2-NH1 3.06Å; E137-R369 PolarHBondContact OE2-NH1 2.91Å; E137-I391 HydrophobicContact CG-CD1 3.97Å
138	G	98.6	Very high	98.8	Very high	61 Å²	61	51.5 Å²	51.5	63%	0.629	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	11.1	176.3	0	0	0	0	0	115	L134 K135 M136	L134-G138 PolarHBondContact O-N 3.19Å; K135-G138 PolarHBondContact O-N 3.02Å; M136-G138 PolarHBondContact O-N 3.07Å
139	V	98.9	Very high	98.8	Very high	6 Å²	6	49 Å²	49	4%	0.036	26%	0.26	C	S	.	.			trans	-89.9	133.5	-178.2	-174.3	0	0	0	0	110.9	L75 V78 L134 V141	L75-V139 HydrophobicContact CB-CG2 4.35Å; L75-V139 HydrophobicContact CD2-CG1 3.93Å; L75-V139 HydrophobicContact CD2-CG2 4.12Å; L75-V139 HydrophobicContact CG-CG1 3.88Å; L75-V139 HydrophobicContact CG-CG2 4.16Å; V78-V139 HydrophobicContact CB-CG1 4.11Å; V78-V139 HydrophobicContact CG1-CG1 3.57Å; L134-V139 HydrophobicContact CB-CB 4.35Å; L134-V139 HydrophobicContact CD2-CG2 4.4Å; L134-V139 WeakPolarHBondContact O-CB 3.09Å; L134-V139 PolarHBondContact O-N 2.99Å; V139-V141 PolarHBondContact O-N 2.87Å
140	I	98.9	Very high	98.8	Very high	81 Å²	81	46.5 Å²	46.5	42%	0.415	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123	170.5	-60.8	171.8	0	0	0	108.9	E76 E77 V78	E76-I140 WeakPolarHBondContact O-CB 3.42Å; E76-I140 PolarHBondContact O-N 2.71Å; E77-I140 CarbonylContact C-O 3.59Å; E77-I140 WeakPolarHBondContact CA-O 3.35Å; E77-I140 HydrophobicContact CB-CB 4.07Å; E77-I140 HydrophobicContact CG-CB 3.92Å; E77-I140 HydrophobicContact CG-CG2 3.89Å; V78-I140 PolarHBondContact N-O 3.44Å
141	V	98.9	Very high	98.8	Very high	25 Å²	25	51.6 Å²	51.6	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.9	-178.9	177.9	0	0	0	0	110.9	V78 V80 C131 L134 K135 V139 R143	V78-V141 HydrophobicContact CG1-CG2 4.15Å; V78-V141 WeakPolarHBondContact O-CA 3.22Å; V80-V141 HydrophobicContact CB-CG1 4.22Å; V80-V141 HydrophobicContact CG2-CG1 3.74Å; C131-V141 HydrophobicContact CB-CG1 4.21Å; L134-V141 HydrophobicContact CB-CG2 3.65Å; L134-V141 HydrophobicContact CD1-CG2 4.23Å; K135-V141 HydrophobicContact CG-CB 4.44Å; K135-V141 HydrophobicContact CG-CG2 4.02Å; V139-V141 PolarHBondContact O-N 2.87Å; V141-R143 HydrophobicContact CG1-CG 4.47Å
142	R	98.9	Very high	98.8	Very high	58 Å²	58	57.5 Å²	57.5	22%	0.219	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	151.5	169.9	-56.4	-64.4	-70.3	-82	4.8	110.1	E77 V78 I79 V80 I199 D202 Y203	E77-R142 HydrophobicContact CG-CG 4.42Å; E77-R142 WeakPolarHBondContact OE1-CG 3.42Å; E77-R142 IonicContact OE1-NH1 3.17Å; E77-R142 PolarHBondContact OE1-NH1 2.79Å; V78-R142 PolarHBondContact O-N 2.89Å; I79-R142 CarbonylContact C-O 3.56Å; I79-R142 WeakPolarHBondContact CA-O 3.27Å; I79-R142 HydrophobicContact CG1-CB 4.13Å; V80-R142 PolarHBondContact N-O 2.93Å; R142-I199 HydrophobicContact CB-CD1 4.09Å; R142-I199 HydrophobicContact CB-CG1 4.37Å; R142-D202 IonicContact CZ-OD2 3.44Å; R142-D202 VanDerWaalsContact CZ-OD2 3.32Å; R142-D202 IonicContact NH1-OD2 3.22Å; R142-D202 PolarHBondContact NH1-OD2 3.39Å; R142-D202 IonicContact NH2-OD2 3.31Å; R142-D202 PolarHBondContact NH2-OD2 3.43Å; R142-Y203 WeakPolarHBondContact CG-OH 3.43Å; R142-Y203 VanDerWaalsContact NH1-CE1 3.33Å
143	R	98.9	Very high	98.8	Very high	40 Å²	40	55.5 Å²	55.5	15%	0.151	29%	0.292	C	S	.	.			trans	-131.9	139.5	-177.7	-54	-62.6	-64.6	-70.2	-4	110	V80 G81 E128 C131 V141 I199	V80-R143 VanDerWaalsContact O-CD 3.26Å; V80-R143 WeakPolarHBondContact O-CD 3.39Å; V80-R143 PolarHBondContact O-NE 2.84Å; G81-R143 PolarHBondContact O-NE 2.81Å; G81-R143 PolarHBondContact O-NH2 2.89Å; E128-R143 VanDerWaalsContact CD-NH1 3.32Å; E128-R143 IonicContact OE1-CZ 3.57Å; E128-R143 IonicContact OE1-NH1 3.92Å; E128-R143 PolarHBondContact OE1-NH1 3.3Å; E128-R143 IonicContact OE1-NH2 3.14Å; E128-R143 PolarHBondContact OE1-NH2 3.25Å; E128-R143 VanDerWaalsContact OE1-NH2 3.11Å; E128-R143 IonicContact OE2-NH1 3.64Å; E128-R143 PolarHBondContact OE2-NH1 3.18Å; C131-R143 PolarHBondContact SG-NH1 3.21Å; C131-R143 VanDerWaalsContact SG-NH1 3.39Å; V141-R143 HydrophobicContact CG1-CG 4.47Å; R143-I199 VanDerWaalsContact O-CD1 3.31Å; R143-I199 WeakPolarHBondContact O-CD1 3.5Å
144	P	98.9	Very high	98.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.006	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-61.5	160	175.1	25.5	-31.6	0	0	0	111.4	V80 R82 A195 Y196	V80-P144 WeakPolarHBondContact O-CD 3.39Å; R82-P144 HydrophobicContact CB-CG 4.17Å; R82-P144 WeakPolarHBondContact CD-O 3.24Å; R82-P144 HydrophobicContact CG-CG 3.95Å; R82-P144 PolarHBondContact NE-O 2.85Å; P144-A195 CarbonylContact C-O 3.51Å; P144-A195 VanDerWaalsContact CA-O 3.32Å; P144-A195 WeakPolarHBondContact CA-O 3.39Å; P144-A195 HydrophobicContact CB-CB 3.85Å; P144-A195 WeakPolarHBondContact CB-O 3.4Å; P144-Y196 HydrophobicContact CB-CD1 3.98Å; P144-Y196 HydrophobicContact CB-CE1 3.8Å; P144-Y196 HydrophobicContact CG-CE1 4.06Å
145	D	98.8	Very high	98.8	Very high	60 Å²	60	63 Å²	63	32%	0.321	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-67.1	140.6	175.3	-67.6	-30.2	0	0	0	110.4	I147 A195 S198	D145-I147 PolarHBondContact O-N 3.1Å; D145-A195 PolarHBondContact N-O 2.81Å; D145-S198 WeakPolarHBondContact OD2-CB 3.22Å; D145-S198 PolarHBondContact OD2-OG 2.88Å
146	P	98.6	Very high	98.8	Very high	91 Å²	91	63.9 Å²	63.9	59%	0.591	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-62.1	127.7	171.5	-20.2	32.4	0	0	0	111
147	I	98.5	Very high	98.8	Very high	26 Å²	26	60.7 Å²	60.7	13%	0.133	33%	0.329	C	S	.	.			trans	-128.1	147.8	178.1	-71	-173.8	0	0	0	109	N85 D145 W149 R194 A195	N85-I147 VanDerWaalsContact CB-O 3.3Å; N85-I147 WeakPolarHBondContact CB-O 3.42Å; N85-I147 PolarHBondContact ND2-O 2.86Å; D145-I147 PolarHBondContact O-N 3.1Å; I147-W149 HydrophobicContact CB-CD2 4.34Å; I147-W149 HydrophobicContact CB-CH2 4.26Å; I147-W149 HydrophobicContact CB-CZ2 3.73Å; I147-W149 HydrophobicContact CD1-CH2 4Å; I147-W149 HydrophobicContact CD1-CZ2 4.16Å; I147-W149 HydrophobicContact CG1-CZ2 4.38Å; I147-W149 HydrophobicContact CG2-CD2 3.84Å; I147-W149 HydrophobicContact CG2-CE3 3.96Å; I147-W149 HydrophobicContact CG2-CG 4.44Å; I147-W149 HydrophobicContact CG2-CH2 4.08Å; I147-W149 HydrophobicContact CG2-CZ2 3.93Å; I147-W149 HydrophobicContact CG2-CZ3 4.08Å; I147-R194 HydrophobicContact CD1-CB 3.93Å; I147-A195 HydrophobicContact CD1-CB 3.78Å; I147-A195 HydrophobicContact CG1-CB 4.44Å
148	D	98.6	Very high	98.8	Very high	76 Å²	76	58.4 Å²	58.4	41%	0.406	32%	0.317	S	S	.	.			trans	-84.7	108.3	163.8	178.2	2.8	0	0	0	109.3	Y114 S150	Y114-D148 PolarHBondContact OH-OD1 3.16Å; D148-S150 VanDerWaalsContact C-N 3.29Å; D148-S150 VanDerWaalsContact CG-OG 3.31Å; D148-S150 VanDerWaalsContact OD1-CB 3.3Å; D148-S150 WeakPolarHBondContact OD1-CB 3.2Å; D148-S150 PolarHBondContact OD1-N 2.89Å; D148-S150 PolarHBondContact OD1-OG 2.73Å; D148-S150 PolarHBondContact OD2-OG 2.67Å
149	W	98.8	Very high	98.8	Very high	12 Å²	12	60.1 Å²	60.1	5%	0.045	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.8	-179.2	-58.2	104.4	0	0	0	113.3	N85 C87 I147 L151 G162 Y164 E192 A195	N85-W149 WeakPolarHBondContact O-CB 3.29Å; C87-W149 HydrophobicContact CB-CB 4.3Å; C87-W149 VanDerWaalsContact SG-C 3.55Å; I147-W149 HydrophobicContact CB-CD2 4.34Å; I147-W149 HydrophobicContact CB-CH2 4.26Å; I147-W149 HydrophobicContact CB-CZ2 3.73Å; I147-W149 HydrophobicContact CD1-CH2 4Å; I147-W149 HydrophobicContact CD1-CZ2 4.16Å; I147-W149 HydrophobicContact CG1-CZ2 4.38Å; I147-W149 HydrophobicContact CG2-CD2 3.84Å; I147-W149 HydrophobicContact CG2-CE3 3.96Å; I147-W149 HydrophobicContact CG2-CG 4.44Å; I147-W149 HydrophobicContact CG2-CH2 4.08Å; I147-W149 HydrophobicContact CG2-CZ2 3.93Å; I147-W149 HydrophobicContact CG2-CZ3 4.08Å; W149-L151 PolarHBondContact O-N 2.87Å; W149-G162 CarbonylContact O-C 3.51Å; W149-G162 WeakPolarHBondContact O-CA 3.36Å; W149-G162 PolarHBondContact O-N 3.07Å; W149-Y164 VanDerWaalsContact CE2-C 3.46Å; W149-E192 HydrophobicContact CH2-CG 4.41Å; W149-A195 HydrophobicContact CH2-CB 3.96Å; W149-A195 HydrophobicContact CZ2-CB 3.87Å
150	S	98.6	Very high	98.8	Very high	36 Å²	36	60.3 Å²	60.3	25%	0.252	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.5	175.5	73.9	0	0	0	0	112.8	C87 Y114 D148 K152	C87-S150 VanDerWaalsContact SG-CA 3.57Å; C87-S150 PolarHBondContact SG-N 3.16Å; C87-S150 VanDerWaalsContact SG-N 3.36Å; Y114-S150 PolarHBondContact OH-OG 3.08Å; Y114-S150 VanDerWaalsContact OH-OG 3.12Å; D148-S150 VanDerWaalsContact C-N 3.29Å; D148-S150 VanDerWaalsContact CG-OG 3.31Å; D148-S150 VanDerWaalsContact OD1-CB 3.3Å; D148-S150 WeakPolarHBondContact OD1-CB 3.2Å; D148-S150 PolarHBondContact OD1-N 2.89Å; D148-S150 PolarHBondContact OD1-OG 2.73Å; D148-S150 PolarHBondContact OD2-OG 2.67Å; S150-K152 PolarHBondContact O-N 3.09Å
151	L	98.5	Very high	98.8	Very high	107 Å²	107	57.2 Å²	57.2	56%	0.56	30%	0.295	S	S	*	.			trans	-59	121.8	177.6	-174.5	143.6	0	0	0	110.5	W149	W149-L151 PolarHBondContact O-N 2.87Å
152	K	98.8	Very high	98.8	Very high	124 Å²	124	56.1 Å²	56.1	54%	0.539	29%	0.29	S	S	.	.			trans	-77.9	132.2	173.4	-158.9	-178.3	-167.4	-149	0	109.6	S150 E159 S160 T161	S150-K152 PolarHBondContact O-N 3.09Å; K152-E159 HydrophobicContact CD-CG 4.22Å; K152-E159 WeakPolarHBondContact CD-OE1 3.46Å; K152-E159 WeakPolarHBondContact CE-OE1 3.38Å; K152-E159 HydrophobicContact CG-CG 4.08Å; K152-E159 IonicContact NZ-OE1 3.11Å; K152-E159 PolarHBondContact NZ-OE1 3.38Å; K152-E159 IonicContact NZ-OE2 2.68Å; K152-E159 PolarHBondContact NZ-OE2 2.83Å; K152-S160 CarbonylContact C-O 3.59Å; K152-S160 WeakPolarHBondContact CA-O 3.3Å; K152-S160 WeakPolarHBondContact CG-O 3.43Å; K152-T161 HydrophobicContact CB-CG2 4.3Å; K152-T161 HydrophobicContact CG-CG2 4.38Å
153	Y	98.8	Very high	98.8	Very high	26 Å²	26	53.4 Å²	53.4	10%	0.102	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.2	176.1	54.8	-94.1	0	0	0	110.6	F158 E159 S160 T161 R187 S188 F190 F191	Y153-F158 HydrophobicContact CD2-CE2 4.47Å; Y153-F158 AromaticContact CE2-CE2 3.78Å; Y153-F158 HydrophobicContact CE2-CE2 3.78Å; Y153-F158 HydrophobicContact CE2-CZ 4.27Å; Y153-E159 WeakPolarHBondContact O-CA 3.49Å; Y153-E159 VanDerWaalsContact O-CG 3.24Å; Y153-E159 WeakPolarHBondContact O-CG 3.43Å; Y153-S160 PolarHBondContact N-O 3.5Å; Y153-S160 PolarHBondContact O-N 3.17Å; Y153-T161 PolarHBondContact OH-O 2.76Å; Y153-R187 PolarHBondContact OH-O 3.43Å; Y153-S188 VanDerWaalsContact OH-CA 3.26Å; Y153-S188 WeakPolarHBondContact OH-CA 3.13Å; Y153-S188 PolarHBondContact OH-O 3.19Å; Y153-S188 VanDerWaalsContact OH-O 3.1Å; Y153-F190 HydrophobicContact CE2-CB 4.13Å; Y153-F191 HydrophobicContact CD1-CD2 4.07Å; Y153-F191 AromaticContact CD2-CD2 3.52Å; Y153-F191 HydrophobicContact CD2-CD2 3.52Å; Y153-F191 AromaticContact CD2-CE2 3.55Å; Y153-F191 HydrophobicContact CD2-CE2 3.55Å; Y153-F191 HydrophobicContact CE1-CD2 4.28Å; Y153-F191 AromaticContact CE2-CD2 3.73Å; Y153-F191 HydrophobicContact CE2-CD2 3.73Å; Y153-F191 HydrophobicContact CE2-CE2 4.08Å; Y153-F191 AromaticContact CG-CD2 3.67Å; Y153-F191 HydrophobicContact CG-CD2 3.67Å; Y153-F191 AromaticContact CG-CE2 3.89Å; Y153-F191 HydrophobicContact CG-CE2 3.89Å
154	K	98.8	Very high	98.8	Very high	161 Å²	161	51.8 Å²	51.8	70%	0.7	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.2	-176.7	-176.6	170.1	178.8	175.4	0	110	E159	K154-E159 HydrophobicContact CB-CB 4.49Å; K154-E159 HydrophobicContact CB-CG 4.03Å; K154-E159 HydrophobicContact CG-CB 4.41Å; K154-E159 HydrophobicContact CG-CG 4.39Å
155	T	98.8	Very high	98.8	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.098	27%	0.273	C	S	.	.			trans	-96.9	175.3	164.2	72.2	0	0	0	0	108.6	D157 F158 F190	T155-D157 PolarHBondContact O-N 2.84Å; T155-D157 PolarHBondContact OG1-N 3.44Å; T155-D157 VanDerWaalsContact OG1-N 3.16Å; T155-F158 HydrophobicContact CG2-CD1 4.33Å; T155-F158 HydrophobicContact CG2-CE1 3.75Å; T155-F158 HydrophobicContact CG2-CE2 4.47Å; T155-F158 HydrophobicContact CG2-CZ 3.83Å; T155-F158 PolarHBondContact N-O 2.81Å; T155-F158 VanDerWaalsContact OG1-CD1 3.22Å; T155-F158 WeakPolarHBondContact OG1-CD1 3.41Å; T155-F158 WeakPolarHBondContact OG1-CE1 3.37Å; T155-F158 PolarHBondContact OG1-N 2.86Å; T155-F158 PolarHBondContact OG1-O 3.47Å; T155-F190 HydrophobicContact CG2-CE1 4.29Å; T155-F190 HydrophobicContact CG2-CZ 4.28Å
156	P	98.8	Very high	98.8	Very high	132 Å²	132	48.9 Å²	48.9	86%	0.857	26%	0.258	S	S	*	.	S	Bend	trans	-58.3	-27.9	168.2	-26.3	37.6	0	0	0	113.7
157	D	98.8	Very high	98.8	Very high	73 Å²	73	44.6 Å²	44.6	39%	0.39	23%	0.23	S	C	.	.	S	Bend	trans	-99	-28.8	-169.3	-46.8	-78	0	0	0	113.7	T155 A219	T155-D157 PolarHBondContact O-N 2.84Å; T155-D157 PolarHBondContact OG1-N 3.44Å; T155-D157 VanDerWaalsContact OG1-N 3.16Å; D157-A219 HydrophobicContact CB-CB 4.2Å
158	F	98.8	Very high	98.8	Very high	14 Å²	14	43.4 Å²	43.4	6%	0.061	22%	0.224	C	C	.	.			trans	-156.6	171.5	-178.5	71.3	-88.8	0	0	0	113.8	Y153 T155 R187 F190 T217 M218	Y153-F158 HydrophobicContact CD2-CE2 4.47Å; Y153-F158 AromaticContact CE2-CE2 3.78Å; Y153-F158 HydrophobicContact CE2-CE2 3.78Å; Y153-F158 HydrophobicContact CE2-CZ 4.27Å; T155-F158 HydrophobicContact CG2-CD1 4.33Å; T155-F158 HydrophobicContact CG2-CE1 3.75Å; T155-F158 HydrophobicContact CG2-CE2 4.47Å; T155-F158 HydrophobicContact CG2-CZ 3.83Å; T155-F158 PolarHBondContact N-O 2.81Å; T155-F158 VanDerWaalsContact OG1-CD1 3.22Å; T155-F158 WeakPolarHBondContact OG1-CD1 3.41Å; T155-F158 WeakPolarHBondContact OG1-CE1 3.37Å; T155-F158 PolarHBondContact OG1-N 2.86Å; T155-F158 PolarHBondContact OG1-O 3.47Å; F158-R187 HydrophobicContact CD1-CG 4.05Å; F158-R187 HydrophobicContact CD2-CB 3.73Å; F158-R187 HydrophobicContact CD2-CG 3.69Å; F158-R187 HydrophobicContact CE1-CG 4.19Å; F158-R187 HydrophobicContact CE2-CB 3.57Å; F158-R187 HydrophobicContact CE2-CG 3.8Å; F158-R187 WeakPolarHBondContact CE2-O 3.42Å; F158-R187 HydrophobicContact CG-CB 4.39Å; F158-R187 HydrophobicContact CG-CG 3.82Å; F158-R187 HydrophobicContact CZ-CB 4.13Å; F158-R187 HydrophobicContact CZ-CG 4.07Å; F158-F190 AromaticContact CE1-CD2 3.91Å; F158-F190 HydrophobicContact CE1-CD2 3.91Å; F158-F190 HydrophobicContact CE1-CE2 4.24Å; F158-F190 HydrophobicContact CZ-CB 3.88Å; F158-F190 AromaticContact CZ-CD2 3.67Å; F158-F190 HydrophobicContact CZ-CD2 3.67Å; F158-F190 HydrophobicContact CZ-CE2 4.38Å; F158-F190 AromaticContact CZ-CG 3.88Å; F158-F190 HydrophobicContact CZ-CG 3.88Å; F158-T217 WeakPolarHBondContact CE1-O 3.2Å; F158-M218 HydrophobicContact CD1-CB 4.1Å; F158-M218 HydrophobicContact CE1-CB 3.78Å; F158-M218 HydrophobicContact CE1-SD 4.47Å; F158-M218 HydrophobicContact CZ-SD 4.41Å
159	E	98.8	Very high	98.8	Very high	98 Å²	98	40.1 Å²	40.1	46%	0.458	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.9	171.6	-164.2	-178.4	-171.1	0	0	109.5	K152 Y153 K154	K152-E159 HydrophobicContact CD-CG 4.22Å; K152-E159 WeakPolarHBondContact CD-OE1 3.46Å; K152-E159 WeakPolarHBondContact CE-OE1 3.38Å; K152-E159 HydrophobicContact CG-CG 4.08Å; K152-E159 IonicContact NZ-OE1 3.11Å; K152-E159 PolarHBondContact NZ-OE1 3.38Å; K152-E159 IonicContact NZ-OE2 2.68Å; K152-E159 PolarHBondContact NZ-OE2 2.83Å; Y153-E159 WeakPolarHBondContact O-CA 3.49Å; Y153-E159 VanDerWaalsContact O-CG 3.24Å; Y153-E159 WeakPolarHBondContact O-CG 3.43Å; K154-E159 HydrophobicContact CB-CB 4.49Å; K154-E159 HydrophobicContact CB-CG 4.03Å; K154-E159 HydrophobicContact CG-CB 4.41Å; K154-E159 HydrophobicContact CG-CG 4.39Å
160	S	98.8	Very high	98.8	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	170.2	-178.3	-165.3	0	0	0	0	111.8	K152 Y153	K152-S160 CarbonylContact C-O 3.59Å; K152-S160 WeakPolarHBondContact CA-O 3.3Å; K152-S160 WeakPolarHBondContact CG-O 3.43Å; Y153-S160 PolarHBondContact N-O 3.5Å; Y153-S160 PolarHBondContact O-N 3.17Å
161	T	98.8	Very high	98.8	Very high	16 Å²	16	38 Å²	38	10%	0.098	19%	0.192	C	C	.	.			trans	-99.1	172.3	159.3	56	0	0	0	0	110	K152 Y153 S188	K152-T161 HydrophobicContact CB-CG2 4.3Å; K152-T161 HydrophobicContact CG-CG2 4.38Å; Y153-T161 PolarHBondContact OH-O 2.76Å; T161-S188 VanDerWaalsContact O-CA 3.25Å; T161-S188 WeakPolarHBondContact O-CA 3.34Å; T161-S188 WeakPolarHBondContact O-CB 3.46Å
162	G	98.8	Very high	98.8	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.031	17%	0.166	C	C	.	.			trans	-76.5	178.3	175.8	0	0	0	0	0	114.4	W149 S188	W149-G162 CarbonylContact O-C 3.51Å; W149-G162 WeakPolarHBondContact O-CA 3.36Å; W149-G162 PolarHBondContact O-N 3.07Å; G162-S188 CarbonylContact C-O 3.59Å; G162-S188 VanDerWaalsContact CA-O 3.31Å; G162-S188 WeakPolarHBondContact CA-O 3.46Å
163	L	98.9	Very high	98.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.141	C	C	.	.			trans	-112.6	-83	173.3	179.9	59.7	0	0	0	110.6	A86 C87 P89 F115 W186 S188 R189 M353	A86-L163 WeakPolarHBondContact CA-O 3.49Å; C87-L163 PolarHBondContact N-O 2.79Å; C87-L163 WeakPolarHBondContact O-CD1 3.22Å; P89-L163 HydrophobicContact CB-CD1 4.26Å; P89-L163 HydrophobicContact CG-CD1 4.03Å; F115-L163 HydrophobicContact CE2-CD1 4.44Å; L163-W186 HydrophobicContact CD2-CE3 4.09Å; L163-W186 HydrophobicContact CD2-CZ3 4.09Å; L163-S188 PolarHBondContact N-O 2.84Å; L163-R189 HydrophobicContact CB-CG 4.12Å; L163-R189 HydrophobicContact CD2-CG 3.63Å; L163-M353 HydrophobicContact CD1-CE 4.45Å
164	Y	98.9	Very high	98.9	Very high	5 Å²	5	26 Å²	26	2%	0.02	14%	0.137	C	C	.	.			trans	-170.3	-174.8	178.3	50.4	63	0	0	0	111.3	A86 W149 A166 M167 E192 M353 L401	A86-Y164 HydrophobicContact CB-CD2 4.22Å; A86-Y164 HydrophobicContact CB-CG 4.45Å; W149-Y164 VanDerWaalsContact CE2-C 3.46Å; Y164-A166 HydrophobicContact CD1-CB 3.45Å; Y164-A166 VanDerWaalsContact CD1-CB 3.45Å; Y164-A166 HydrophobicContact CE1-CB 3.75Å; Y164-A166 HydrophobicContact CG-CB 3.87Å; Y164-M167 HydrophobicContact CE1-CB 4.26Å; Y164-M167 HydrophobicContact CE1-CG 3.79Å; Y164-E192 WeakPolarHBondContact O-CG 3.4Å; Y164-M353 HydrophobicContact CE2-CE 3.6Å; Y164-L401 PolarHBondContact OH-O 2.75Å
165	S	98.9	Very high	98.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.007	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-124.9	38.9	163.2	57.9	0	0	0	0	112.1	G81 R82 Y196	G81-S165 CarbonylContact C-O 3.54Å; G81-S165 VanDerWaalsContact CA-O 3.26Å; G81-S165 WeakPolarHBondContact CA-O 3.21Å; R82-S165 PolarHBondContact N-O 2.92Å; R82-S165 CarbonylContact O-C 3.58Å; S165-Y196 PolarHBondContact O-OH 3.46Å
166	A	98.9	Very high	98.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-74.2	-31.9	179.4	0	0	0	0	0	113.1	G81 R82 Y164 P168 L401 W408	G81-A166 WeakPolarHBondContact CA-O 3.32Å; R82-A166 WeakPolarHBondContact O-CA 3.31Å; R82-A166 WeakPolarHBondContact O-CB 3.39Å; R82-A166 PolarHBondContact O-N 2.92Å; R82-A166 VanDerWaalsContact O-N 3.17Å; Y164-A166 HydrophobicContact CD1-CB 3.45Å; Y164-A166 VanDerWaalsContact CD1-CB 3.45Å; Y164-A166 HydrophobicContact CE1-CB 3.75Å; Y164-A166 HydrophobicContact CG-CB 3.87Å; A166-P168 WeakPolarHBondContact O-CD 3.2Å; A166-L401 HydrophobicContact CB-CD1 4.38Å; A166-W408 HydrophobicContact CB-CE3 4.37Å; A166-W408 HydrophobicContact CB-CH2 3.62Å; A166-W408 HydrophobicContact CB-CZ2 4.06Å; A166-W408 HydrophobicContact CB-CZ3 3.79Å
167	M	98.9	Very high	98.8	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.069	C	C	.	.			trans	-117.9	80.4	-171.7	-51.9	-53.6	171.4	0	0	111.8	Y164 R169 D170 L401 G403 C407 W408	Y164-M167 HydrophobicContact CE1-CB 4.26Å; Y164-M167 HydrophobicContact CE1-CG 3.79Å; M167-R169 PolarHBondContact O-N 3.01Å; M167-R169 VanDerWaalsContact O-N 3.13Å; M167-D170 HydrophobicContact CB-CB 4.23Å; M167-D170 WeakPolarHBondContact CB-OD1 3.4Å; M167-D170 VanDerWaalsContact CB-OD2 3.23Å; M167-D170 WeakPolarHBondContact CB-OD2 3.13Å; M167-D170 WeakPolarHBondContact O-CB 3.43Å; M167-D170 PolarHBondContact O-N 3.35Å; M167-D170 VanDerWaalsContact O-N 3.11Å; M167-L401 HydrophobicContact CE-CB 4.04Å; M167-L401 WeakPolarHBondContact CE-O 3.4Å; M167-G403 VanDerWaalsContact CE-N 3.27Å; M167-C407 CarbonylContact C-O 3.56Å; M167-C407 WeakPolarHBondContact CA-O 3.09Å; M167-C407 HydrophobicContact CG-CB 4.35Å; M167-C407 HydrophobicContact SD-CB 3.63Å; M167-W408 HydrophobicContact CE-CD2 4.4Å; M167-W408 HydrophobicContact CE-CZ2 4.06Å; M167-W408 HydrophobicContact SD-CD2 4.13Å; M167-W408 HydrophobicContact SD-CG 3.99Å
168	P	98.9	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-51.7	-32.7	174.5	-24.1	31.1	0	0	0	113.5	I79 A166 D170 I171 L172 Y196 W408 C410	I79-P168 HydrophobicContact CB-CB 4.46Å; I79-P168 HydrophobicContact CG2-CB 4.07Å; I79-P168 HydrophobicContact CG2-CG 3.9Å; A166-P168 WeakPolarHBondContact O-CD 3.2Å; P168-D170 PolarHBondContact O-N 3.2Å; P168-I171 PolarHBondContact O-N 3.25Å; P168-L172 WeakPolarHBondContact O-CB 3.41Å; P168-L172 PolarHBondContact O-N 2.85Å; P168-Y196 HydrophobicContact CB-CE1 3.96Å; P168-Y196 HydrophobicContact CG-CE1 4.01Å; P168-W408 WeakPolarHBondContact CD-O 3.47Å; P168-C410 HydrophobicContact CB-CB 3.69Å
169	R	98.9	Very high	98.8	Very high	7 Å²	7	9.6 Å²	9.6	3%	0.026	5%	0.049	C	C	.	.	H	α-helix	trans	-60.5	-32.1	-179.8	-166.5	60.2	60.3	173.9	-1.9	113.6	E71 M167 I171 A255 A256 H406 C407 T409 D411	E71-R169 IonicContact OE2-NH1 2.76Å; M167-R169 PolarHBondContact O-N 3.01Å; M167-R169 VanDerWaalsContact O-N 3.13Å; R169-I171 VanDerWaalsContact C-N 3.29Å; R169-I171 PolarHBondContact O-N 2.92Å; R169-A255 CarbonylContact O-C 3.57Å; R169-A255 VanDerWaalsContact O-CB 3.23Å; R169-A255 WeakPolarHBondContact O-CB 3.23Å; R169-A256 HydrophobicContact CB-CB 4.48Å; R169-A256 HydrophobicContact CG-CB 3.92Å; R169-A256 PolarHBondContact O-N 3.31Å; R169-H406 WeakPolarHBondContact CB-O 3.49Å; R169-H406 WeakPolarHBondContact CD-CE1 2.94Å; R169-H406 PolarHBondContact NE-CE1 3.21Å; R169-H406 PolarHBondContact NE-O 3.01Å; R169-H406 VanDerWaalsContact NE-O 3.13Å; R169-C407 WeakPolarHBondContact CB-O 3.25Å; R169-C407 PolarHBondContact N-O 3.37Å; R169-T409 WeakPolarHBondContact CB-O 3.29Å; R169-T409 PolarHBondContact N-O 2.89Å; R169-T409 PolarHBondContact NE-O 2.95Å; R169-T409 PolarHBondContact NH2-O 3.4Å; R169-T409 VanDerWaalsContact NH2-O 3.16Å; R169-D411 IonicContact CZ-OD1 2.83Å; R169-D411 VanDerWaalsContact CZ-OD1 3.23Å; R169-D411 IonicContact NH1-OD1 3.93Å; R169-D411 PolarHBondContact NH1-OD1 2.71Å; R169-D411 IonicContact NH2-OD1 3.25Å; R169-D411 PolarHBondContact NH2-OD1 2.84Å
170	D	98.9	Very high	98.8	Very high	3 Å²	3	4.9 Å²	4.9	2%	0.016	3%	0.028	C	C	.	.	H	α-helix	trans	-71.1	-30.9	-175.8	-60.5	6.3	0	0	0	111.5	M167 P168 M184 R189 D254 A255 H303	M167-D170 HydrophobicContact CB-CB 4.23Å; M167-D170 WeakPolarHBondContact CB-OD1 3.4Å; M167-D170 VanDerWaalsContact CB-OD2 3.23Å; M167-D170 WeakPolarHBondContact CB-OD2 3.13Å; M167-D170 WeakPolarHBondContact O-CB 3.43Å; M167-D170 PolarHBondContact O-N 3.35Å; M167-D170 VanDerWaalsContact O-N 3.11Å; P168-D170 PolarHBondContact O-N 3.2Å; D170-M184 HydrophobicContact CB-CE 4.19Å; D170-R189 IonicContact OD2-CZ 2.77Å; D170-R189 VanDerWaalsContact OD2-CZ 3.22Å; D170-R189 IonicContact OD2-NH1 2.86Å; D170-R189 PolarHBondContact OD2-NH1 3.35Å; D170-R189 IonicContact OD2-NH2 2.84Å; D170-R189 PolarHBondContact OD2-NH2 3.25Å; D170-D254 CarbonylContact O-C 3.4Å; D170-D254 WeakPolarHBondContact O-CA 3.42Å; D170-A255 PolarHBondContact O-N 2.95Å; D170-H303 IonicContact OD1-CE1 3.23Å; D170-H303 PolarHBondContact OD1-CE1 3.29Å; D170-H303 IonicContact OD1-ND1 3.86Å; D170-H303 IonicContact OD2-CE1 3.35Å; D170-H303 PolarHBondContact OD2-CE1 3.27Å
171	I	98.9	Very high	98.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-111.1	-22.8	-173.6	-173.1	164.1	0	0	0	113.9	P168 R169 E181 A182 M184 E192 Y196	P168-I171 PolarHBondContact O-N 3.25Å; R169-I171 VanDerWaalsContact C-N 3.29Å; R169-I171 PolarHBondContact O-N 2.92Å; I171-E181 WeakPolarHBondContact O-CA 3.47Å; I171-A182 PolarHBondContact O-N 3.06Å; I171-M184 HydrophobicContact CB-CE 4.29Å; I171-M184 HydrophobicContact CB-SD 3.71Å; I171-M184 HydrophobicContact CD1-CG 4.37Å; I171-M184 HydrophobicContact CD1-SD 4.12Å; I171-M184 HydrophobicContact CG1-SD 3.73Å; I171-E192 HydrophobicContact CD1-CB 3.76Å; I171-E192 HydrophobicContact CD1-CG 3.88Å; I171-Y196 HydrophobicContact CG2-CD2 4.12Å; I171-Y196 HydrophobicContact CG2-CE2 3.61Å
172	L	98.9	Very high	98.8	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.005	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.2	-177.8	-56.8	174.3	0	0	0	111	I79 P168 I179 I180 E181 Y196 I200 C410	I79-L172 HydrophobicContact CD1-CD1 3.87Å; P168-L172 WeakPolarHBondContact O-CB 3.41Å; P168-L172 PolarHBondContact O-N 2.85Å; L172-I179 HydrophobicContact CD1-CD1 4.31Å; L172-I179 HydrophobicContact CD2-CD1 4.45Å; L172-I179 HydrophobicContact CD2-CG1 4.39Å; L172-I180 WeakPolarHBondContact CA-O 3.38Å; L172-E181 HydrophobicContact CD2-CG 3.9Å; L172-Y196 HydrophobicContact CD1-CD1 3.63Å; L172-Y196 HydrophobicContact CD1-CE1 4.17Å; L172-Y196 HydrophobicContact CD1-CG 3.85Å; L172-I200 HydrophobicContact CD2-CD1 3.84Å; L172-C410 HydrophobicContact CB-CB 4.34Å; L172-C410 PolarHBondContact O-SG 3.43Å
173	I	98.9	Very high	98.9	Very high	5 Å²	5	4.2 Å²	4.2	3%	0.026	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.1	164.3	-172.5	167.3	0	0	0	109.6	V175 I180 A255 F258 R260 M281	I173-V175 HydrophobicContact CD1-CG2 4.34Å; I173-V175 HydrophobicContact CG1-CG2 4.12Å; I173-I180 HydrophobicContact CG2-CB 3.88Å; I173-I180 HydrophobicContact CG2-CD1 4.45Å; I173-I180 HydrophobicContact CG2-CG2 4.48Å; I173-I180 PolarHBondContact N-O 3.44Å; I173-I180 PolarHBondContact O-N 3.14Å; I173-A255 HydrophobicContact CB-CB 3.94Å; I173-A255 HydrophobicContact CG2-CB 4.19Å; I173-F258 HydrophobicContact CD1-CB 3.81Å; I173-R260 HydrophobicContact CD1-CG 4.09Å; I173-M281 HydrophobicContact CG2-CE 4.2Å
174	V	98.9	Very high	98.9	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.006	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.5	173.7	174	0	0	0	0	109.3	V66 G176 E178 I179 R260	V66-V174 HydrophobicContact CG1-CB 4.45Å; V66-V174 HydrophobicContact CG1-CG1 3.45Å; V66-V174 VanDerWaalsContact CG1-CG1 3.45Å; V66-V174 HydrophobicContact CG1-CG2 4.14Å; V174-G176 WeakPolarHBondContact CG1-O 3.46Å; V174-E178 CarbonylContact C-O 3.55Å; V174-E178 VanDerWaalsContact CA-O 3.31Å; V174-E178 WeakPolarHBondContact CA-O 3.3Å; V174-I179 HydrophobicContact CG2-CB 4.21Å; V174-I179 HydrophobicContact CG2-CD1 4.24Å; V174-I179 HydrophobicContact CG2-CG1 4.07Å; V174-R260 WeakPolarHBondContact O-CD 3.48Å; V174-R260 PolarHBondContact O-NE 2.95Å; V174-R260 PolarHBondContact O-NH1 3.07Å
175	V	98.9	Very high	98.8	Very high	4 Å²	4	3.9 Å²	3.9	2%	0.024	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	102.8	178.4	-177.3	0	0	0	0	108.4	I173 N177 E178 I180 I265 L285 Y289	I173-V175 HydrophobicContact CD1-CG2 4.34Å; I173-V175 HydrophobicContact CG1-CG2 4.12Å; V175-N177 PolarHBondContact O-N 3.04Å; V175-E178 PolarHBondContact N-O 3.36Å; V175-E178 WeakPolarHBondContact O-CB 3.35Å; V175-E178 PolarHBondContact O-N 3.41Å; V175-I180 HydrophobicContact CG2-CD1 4.38Å; V175-I265 HydrophobicContact CG1-CD1 4.15Å; V175-I265 HydrophobicContact CG2-CD1 4.1Å; V175-L285 HydrophobicContact CB-CD2 4.3Å; V175-L285 HydrophobicContact CG1-CD1 4.27Å; V175-L285 HydrophobicContact CG1-CD2 4Å; V175-L285 HydrophobicContact CG2-CD1 4.27Å; V175-Y289 HydrophobicContact CG1-CD1 3.79Å; V175-Y289 HydrophobicContact CG1-CD2 3.88Å; V175-Y289 HydrophobicContact CG1-CE1 3.47Å; V175-Y289 VanDerWaalsContact CG1-CE1 3.47Å; V175-Y289 HydrophobicContact CG1-CE2 3.58Å; V175-Y289 HydrophobicContact CG1-CG 3.99Å
176	G	98.4	Very high	98.8	Very high	1 Å²	1	4 Å²	4	1%	0.01	2%	0.021	C	C	.	.	B	Isolated β-bridge	trans	63.1	-126.4	-169.9	0	0	0	0	0	110.8	S67 S68 V174 E178 Y289	S67-G176 CarbonylContact C-O 3.52Å; S67-G176 WeakPolarHBondContact CA-O 3.48Å; S68-G176 PolarHBondContact N-O 3.3Å; S68-G176 PolarHBondContact O-N 2.85Å; V174-G176 WeakPolarHBondContact CG1-O 3.46Å; G176-E178 VanDerWaalsContact C-N 3.31Å; G176-Y289 PolarHBondContact N-OH 3.07Å
177	N	98.3	Very high	98.9	Very high	37 Å²	37	5.5 Å²	5.5	20%	0.198	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	15.4	177.9	66.4	-31.9	0	0	0	114.1	L60 V66 V175 K209	L60-N177 HydrophobicContact CD2-CB 3.83Å; V66-N177 VanDerWaalsContact O-CA 3.32Å; V66-N177 WeakPolarHBondContact O-CA 3.49Å; V175-N177 PolarHBondContact O-N 3.04Å; N177-K209 PolarHBondContact O-N 3.04Å
178	E	98.9	Very high	98.9	Very high	8 Å²	8	5.7 Å²	5.7	4%	0.037	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.3	-178.1	-172.1	172.5	168.3	0	0	112	V174 V175 G176 I180 K209 T211 H284	V174-E178 CarbonylContact C-O 3.55Å; V174-E178 VanDerWaalsContact CA-O 3.31Å; V174-E178 WeakPolarHBondContact CA-O 3.3Å; V175-E178 PolarHBondContact N-O 3.36Å; V175-E178 WeakPolarHBondContact O-CB 3.35Å; V175-E178 PolarHBondContact O-N 3.41Å; G176-E178 VanDerWaalsContact C-N 3.31Å; E178-I180 HydrophobicContact CG-CG1 3.93Å; E178-K209 WeakPolarHBondContact CA-O 3.36Å; E178-K209 HydrophobicContact CB-CB 3.83Å; E178-K209 HydrophobicContact CB-CD 4.39Å; E178-K209 HydrophobicContact CG-CB 3.8Å; E178-K209 WeakPolarHBondContact OE2-CE 3.3Å; E178-K209 IonicContact OE2-NZ 2.71Å; E178-K209 PolarHBondContact OE2-NZ 2.71Å; E178-T211 WeakPolarHBondContact OE1-CB 3.34Å; E178-T211 PolarHBondContact OE1-OG1 3.09Å; E178-H284 IonicContact OE1-CD2 3.39Å; E178-H284 IonicContact OE1-CE1 3.44Å; E178-H284 PolarHBondContact OE1-CE1 3.09Å; E178-H284 IonicContact OE1-NE2 2.74Å; E178-H284 PolarHBondContact OE1-NE2 3.38Å; E178-H284 IonicContact OE2-NE2 2.68Å
179	I	98.9	Very high	98.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.7	167.9	-171.4	160.8	0	0	0	109.6	L172 V174 I200 Y203 K209 W210 T211	L172-I179 HydrophobicContact CD1-CD1 4.31Å; L172-I179 HydrophobicContact CD2-CD1 4.45Å; L172-I179 HydrophobicContact CD2-CG1 4.39Å; V174-I179 HydrophobicContact CG2-CB 4.21Å; V174-I179 HydrophobicContact CG2-CD1 4.24Å; V174-I179 HydrophobicContact CG2-CG1 4.07Å; I179-I200 HydrophobicContact CD1-CG1 4.14Å; I179-I200 HydrophobicContact CG2-CG2 4.11Å; I179-Y203 HydrophobicContact CD1-CD2 4.49Å; I179-K209 PolarHBondContact N-O 3.23Å; I179-W210 HydrophobicContact CG2-CB 4.36Å; I179-T211 PolarHBondContact O-N 3.06Å
180	I	98.9	Very high	98.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.7	-175.1	-54.7	174.8	0	0	0	109.1	L172 I173 V175 E178 T211 W280 M281 L285	L172-I180 WeakPolarHBondContact CA-O 3.38Å; I173-I180 HydrophobicContact CG2-CB 3.88Å; I173-I180 HydrophobicContact CG2-CD1 4.45Å; I173-I180 HydrophobicContact CG2-CG2 4.48Å; I173-I180 PolarHBondContact N-O 3.44Å; I173-I180 PolarHBondContact O-N 3.14Å; V175-I180 HydrophobicContact CG2-CD1 4.38Å; E178-I180 HydrophobicContact CG-CG1 3.93Å; I180-T211 CarbonylContact C-O 3.59Å; I180-T211 WeakPolarHBondContact CA-O 3.28Å; I180-T211 HydrophobicContact CG2-CG2 4.39Å; I180-W280 HydrophobicContact CG2-CH2 4.18Å; I180-W280 HydrophobicContact CG2-CZ3 4.17Å; I180-M281 HydrophobicContact CD1-CE 4.37Å; I180-M281 HydrophobicContact CD1-SD 4.37Å; I180-L285 HydrophobicContact CD1-CD2 4.08Å
181	E	98.9	Very high	98.9	Very high	7 Å²	7	9.3 Å²	9.3	3%	0.033	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	119.3	167.8	-63.3	178.4	-155.7	0	0	109.7	I171 L172 Y193 R197 I200 W210 T211 T212 A213	I171-E181 WeakPolarHBondContact O-CA 3.47Å; L172-E181 HydrophobicContact CD2-CG 3.9Å; E181-Y193 WeakPolarHBondContact OE2-CB 3.4Å; E181-R197 IonicContact OE1-CZ 2.73Å; E181-R197 IonicContact OE1-NE 3.73Å; E181-R197 PolarHBondContact OE1-NE 3.3Å; E181-R197 IonicContact OE1-NH2 3.88Å; E181-R197 IonicContact OE2-CZ 3.7Å; E181-R197 IonicContact OE2-NE 2.87Å; E181-R197 PolarHBondContact OE2-NE 2.8Å; E181-R197 IonicContact OE2-NH2 3.81Å; E181-R197 PolarHBondContact OE2-NH2 3.49Å; E181-I200 HydrophobicContact CG-CD1 4.04Å; E181-I200 WeakPolarHBondContact OE1-CD1 3.45Å; E181-W210 WeakPolarHBondContact OE1-CZ2 3.32Å; E181-W210 PolarHBondContact OE1-NE1 3.34Å; E181-T211 PolarHBondContact N-O 3.26Å; E181-T212 HydrophobicContact CB-CG2 4.04Å; E181-T212 HydrophobicContact CG-CG2 4.13Å; E181-A213 PolarHBondContact O-N 2.81Å
182	A	98.9	Very high	98.8	Very high	5 Å²	5	9.4 Å²	9.4	4%	0.041	4%	0.044	C	C	.	.			trans	-69.5	149.8	175.1	0	0	0	0	0	111.5	I171 M184 F253 A255	I171-A182 PolarHBondContact O-N 3.06Å; A182-M184 VanDerWaalsContact C-N 3.26Å; A182-M184 HydrophobicContact CB-SD 4.05Å; A182-M184 PolarHBondContact O-N 2.79Å; A182-F253 HydrophobicContact CB-CD2 3.95Å; A182-F253 HydrophobicContact CB-CE2 3.7Å; A182-F253 HydrophobicContact CB-CZ 4.5Å; A182-A255 HydrophobicContact CB-CB 4.02Å
183	P	98.8	Very high	98.8	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	5%	0.053	C	C	.	.			trans	-70.2	-24.8	-179.5	25.8	-29.3	0	0	0	112.8	A213 P214 K215 P216 F253	P183-A213 HydrophobicContact CB-CB 4.43Å; P183-A213 HydrophobicContact CG-CB 4.22Å; P183-P214 WeakPolarHBondContact CB-O 3.29Å; P183-K215 WeakPolarHBondContact O-CE 3.26Å; P183-K215 PolarHBondContact O-NZ 2.58Å; P183-P216 HydrophobicContact CB-CG 4.15Å; P183-F253 VanDerWaalsContact CD-CD1 3.45Å; P183-F253 WeakPolarHBondContact CD-O 3.46Å; P183-F253 HydrophobicContact CG-CD1 3.41Å; P183-F253 VanDerWaalsContact CG-CD1 3.41Å; P183-F253 HydrophobicContact CG-CD2 4.47Å; P183-F253 HydrophobicContact CG-CE1 3.56Å; P183-F253 HydrophobicContact CG-CG 3.92Å; P183-F253 HydrophobicContact CG-CZ 4.17Å
184	M	98.9	Very high	98.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.076	C	C	.	.			trans	64.3	164.9	-167.6	-42.6	-50.9	-66.1	0	0	112.2	D170 I171 A182 R189 M218 F253 D254	D170-M184 HydrophobicContact CB-CE 4.19Å; I171-M184 HydrophobicContact CB-CE 4.29Å; I171-M184 HydrophobicContact CB-SD 3.71Å; I171-M184 HydrophobicContact CD1-CG 4.37Å; I171-M184 HydrophobicContact CD1-SD 4.12Å; I171-M184 HydrophobicContact CG1-SD 3.73Å; A182-M184 VanDerWaalsContact C-N 3.26Å; A182-M184 HydrophobicContact CB-SD 4.05Å; A182-M184 PolarHBondContact O-N 2.79Å; M184-R189 HydrophobicContact CB-CB 4.14Å; M184-R189 HydrophobicContact CE-CB 4.29Å; M184-R189 VanDerWaalsContact CE-CZ 3.4Å; M184-R189 HydrophobicContact CG-CB 4.2Å; M184-M218 HydrophobicContact CB-CE 4.09Å; M184-M218 VanDerWaalsContact O-CE 3.3Å; M184-M218 WeakPolarHBondContact O-CE 3.33Å; M184-F253 WeakPolarHBondContact CA-O 3.3Å; M184-F253 PolarHBondContact N-O 2.68Å; M184-D254 VanDerWaalsContact CE-OD1 3.31Å; M184-D254 WeakPolarHBondContact CE-OD1 3.36Å
185	A	98.8	Very high	98.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-125.7	-4.7	173.1	0	0	0	0	0	114.5	Y223 T246 C252 V272	A185-Y223 VanDerWaalsContact O-CE1 3.31Å; A185-Y223 WeakPolarHBondContact O-CE1 3.09Å; A185-Y223 PolarHBondContact O-OH 3.24Å; A185-T246 HydrophobicContact CB-CG2 4.26Å; A185-C252 HydrophobicContact CB-CB 3.99Å; A185-V272 HydrophobicContact CB-CB 3.76Å; A185-V272 HydrophobicContact CB-CG1 4.13Å; A185-V272 VanDerWaalsContact CB-O 3.28Å; A185-V272 WeakPolarHBondContact CB-O 3.5Å
186	W	98.9	Very high	98.8	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.011	8%	0.075	C	C	.	.			trans	-96	130.8	176.3	-79.1	19.2	0	0	0	111.2	P89 E94 V95 N98 L163 S188 R189 M302 M353	P89-W186 HydrophobicContact CG-CZ3 4.03Å; E94-W186 HydrophobicContact CG-CB 4.42Å; E94-W186 VanDerWaalsContact CG-CD1 3.42Å; E94-W186 HydrophobicContact CG-CG 3.9Å; E94-W186 PolarHBondContact O-NE1 2.99Å; V95-W186 HydrophobicContact CB-CH2 4.49Å; V95-W186 HydrophobicContact CG1-CH2 4.33Å; V95-W186 HydrophobicContact CG2-CD2 4.21Å; V95-W186 HydrophobicContact CG2-CE3 4.07Å; V95-W186 HydrophobicContact CG2-CH2 4.19Å; V95-W186 HydrophobicContact CG2-CZ2 4.3Å; V95-W186 HydrophobicContact CG2-CZ3 4.07Å; N98-W186 HydrophobicContact CB-CZ2 3.58Å; L163-W186 HydrophobicContact CD2-CE3 4.09Å; L163-W186 HydrophobicContact CD2-CZ3 4.09Å; W186-S188 PolarHBondContact O-N 3.25Å; W186-R189 HydrophobicContact CB-CB 4.19Å; W186-R189 HydrophobicContact CB-CG 3.81Å; W186-R189 HydrophobicContact CE3-CG 4.39Å; W186-R189 PolarHBondContact O-N 2.84Å; W186-M302 HydrophobicContact CH2-CE 3.78Å; W186-M302 HydrophobicContact CZ2-CE 3.29Å; W186-M353 HydrophobicContact CH2-SD 3.88Å; W186-M353 HydrophobicContact CZ3-SD 3.99Å
187	R	98.9	Very high	98.9	Very high	32 Å²	32	20.9 Å²	20.9	12%	0.121	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-55.2	-38.3	177.1	-77.4	178.4	174.1	169	3.4	111.9	Y153 F158 R189 F190 M218 D220 Y223	Y153-R187 PolarHBondContact OH-O 3.43Å; F158-R187 HydrophobicContact CD1-CG 4.05Å; F158-R187 HydrophobicContact CD2-CB 3.73Å; F158-R187 HydrophobicContact CD2-CG 3.69Å; F158-R187 HydrophobicContact CE1-CG 4.19Å; F158-R187 HydrophobicContact CE2-CB 3.57Å; F158-R187 HydrophobicContact CE2-CG 3.8Å; F158-R187 WeakPolarHBondContact CE2-O 3.42Å; F158-R187 HydrophobicContact CG-CB 4.39Å; F158-R187 HydrophobicContact CG-CG 3.82Å; F158-R187 HydrophobicContact CZ-CB 4.13Å; F158-R187 HydrophobicContact CZ-CG 4.07Å; R187-R189 PolarHBondContact O-N 2.97Å; R187-F190 WeakPolarHBondContact O-CB 3.25Å; R187-F190 PolarHBondContact O-N 2.93Å; R187-M218 HydrophobicContact CG-CB 4.03Å; R187-M218 HydrophobicContact CG-SD 4.22Å; R187-M218 VanDerWaalsContact CZ-O 3.29Å; R187-M218 PolarHBondContact NE-O 3.39Å; R187-M218 PolarHBondContact NH2-O 2.77Å; R187-D220 IonicContact CZ-OD1 3.4Å; R187-D220 IonicContact NH1-OD1 3.59Å; R187-D220 PolarHBondContact NH1-OD1 2.72Å; R187-D220 IonicContact NH2-OD1 3.83Å; R187-D220 PolarHBondContact NH2-OD1 2.68Å; R187-Y223 HydrophobicContact CG-CE2 4.33Å
188	S	98.9	Very high	98.9	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.028	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-67.3	-15.8	177.5	58.9	0	0	0	0	115	Y153 T161 G162 L163 W186	Y153-S188 VanDerWaalsContact OH-CA 3.26Å; Y153-S188 WeakPolarHBondContact OH-CA 3.13Å; Y153-S188 PolarHBondContact OH-O 3.19Å; Y153-S188 VanDerWaalsContact OH-O 3.1Å; T161-S188 VanDerWaalsContact O-CA 3.25Å; T161-S188 WeakPolarHBondContact O-CA 3.34Å; T161-S188 WeakPolarHBondContact O-CB 3.46Å; G162-S188 CarbonylContact C-O 3.59Å; G162-S188 VanDerWaalsContact CA-O 3.31Å; G162-S188 WeakPolarHBondContact CA-O 3.46Å; L163-S188 PolarHBondContact N-O 2.84Å; W186-S188 PolarHBondContact O-N 3.25Å
189	R	98.9	Very high	98.9	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.011	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-103.8	4.9	-179.8	-56	-171.2	78	166.8	12.9	113.1	L163 D170 M184 W186 R187 F191 E192 D254	L163-R189 HydrophobicContact CB-CG 4.12Å; L163-R189 HydrophobicContact CD2-CG 3.63Å; D170-R189 IonicContact OD2-CZ 2.77Å; D170-R189 VanDerWaalsContact OD2-CZ 3.22Å; D170-R189 IonicContact OD2-NH1 2.86Å; D170-R189 PolarHBondContact OD2-NH1 3.35Å; D170-R189 IonicContact OD2-NH2 2.84Å; D170-R189 PolarHBondContact OD2-NH2 3.25Å; M184-R189 HydrophobicContact CB-CB 4.14Å; M184-R189 HydrophobicContact CE-CB 4.29Å; M184-R189 VanDerWaalsContact CE-CZ 3.4Å; M184-R189 HydrophobicContact CG-CB 4.2Å; W186-R189 HydrophobicContact CB-CB 4.19Å; W186-R189 HydrophobicContact CB-CG 3.81Å; W186-R189 HydrophobicContact CE3-CG 4.39Å; W186-R189 PolarHBondContact O-N 2.84Å; R187-R189 PolarHBondContact O-N 2.97Å; R189-F191 VanDerWaalsContact C-N 3.31Å; R189-F191 PolarHBondContact O-N 3.37Å; R189-E192 HydrophobicContact CB-CB 4.47Å; R189-E192 WeakPolarHBondContact CG-OE2 3.28Å; R189-E192 IonicContact CZ-OE1 3.3Å; R189-E192 IonicContact CZ-OE2 2.84Å; R189-E192 IonicContact NE-OE1 3.25Å; R189-E192 IonicContact NE-OE2 3.6Å; R189-E192 PolarHBondContact NE-OE2 2.86Å; R189-E192 IonicContact NH2-OE1 3.91Å; R189-E192 PolarHBondContact NH2-OE1 2.77Å; R189-E192 IonicContact NH2-OE2 3.32Å; R189-E192 PolarHBondContact NH2-OE2 3.3Å; R189-E192 VanDerWaalsContact O-CB 3.32Å; R189-E192 WeakPolarHBondContact O-CB 3.31Å; R189-E192 PolarHBondContact O-N 2.85Å; R189-E192 VanDerWaalsContact O-N 3.14Å; R189-D254 IonicContact NH1-OD2 2.68Å; R189-D254 PolarHBondContact NH1-OD2 3.19Å
190	F	98.9	Very high	98.9	Very high	26 Å²	26	21.7 Å²	21.7	11%	0.114	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-45.4	-175	-170.5	-83.6	0	0	0	112.7	Y153 T155 F158 R187 Y193 K215 P216 M218	Y153-F190 HydrophobicContact CE2-CB 4.13Å; T155-F190 HydrophobicContact CG2-CE1 4.29Å; T155-F190 HydrophobicContact CG2-CZ 4.28Å; F158-F190 AromaticContact CE1-CD2 3.91Å; F158-F190 HydrophobicContact CE1-CD2 3.91Å; F158-F190 HydrophobicContact CE1-CE2 4.24Å; F158-F190 HydrophobicContact CZ-CB 3.88Å; F158-F190 AromaticContact CZ-CD2 3.67Å; F158-F190 HydrophobicContact CZ-CD2 3.67Å; F158-F190 HydrophobicContact CZ-CE2 4.38Å; F158-F190 AromaticContact CZ-CG 3.88Å; F158-F190 HydrophobicContact CZ-CG 3.88Å; R187-F190 WeakPolarHBondContact O-CB 3.25Å; R187-F190 PolarHBondContact O-N 2.93Å; F190-Y193 WeakPolarHBondContact O-CD1 3.23Å; F190-Y193 VanDerWaalsContact O-CE1 3.24Å; F190-Y193 WeakPolarHBondContact O-CE1 3.39Å; F190-K215 HydrophobicContact CE1-CG 4.3Å; F190-K215 HydrophobicContact CE2-CG 3.84Å; F190-K215 HydrophobicContact CZ-CG 3.71Å; F190-K215 WeakPolarHBondContact O-CE 3.43Å; F190-K215 PolarHBondContact O-NZ 3.48Å; F190-P216 VanDerWaalsContact CE2-O 3.29Å; F190-P216 WeakPolarHBondContact CE2-O 3.36Å; F190-M218 HydrophobicContact CB-SD 4.47Å; F190-M218 HydrophobicContact CD2-CE 4.17Å; F190-M218 HydrophobicContact CD2-CG 4.36Å; F190-M218 HydrophobicContact CD2-SD 3.83Å
191	F	98.9	Very high	98.9	Very high	58 Å²	58	26.6 Å²	26.6	25%	0.254	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	15	-178.8	-71.8	-67.3	0	0	0	114.6	Y153 R189 Y193 R194	Y153-F191 HydrophobicContact CD1-CD2 4.07Å; Y153-F191 AromaticContact CD2-CD2 3.52Å; Y153-F191 HydrophobicContact CD2-CD2 3.52Å; Y153-F191 AromaticContact CD2-CE2 3.55Å; Y153-F191 HydrophobicContact CD2-CE2 3.55Å; Y153-F191 HydrophobicContact CE1-CD2 4.28Å; Y153-F191 AromaticContact CE2-CD2 3.73Å; Y153-F191 HydrophobicContact CE2-CD2 3.73Å; Y153-F191 HydrophobicContact CE2-CE2 4.08Å; Y153-F191 AromaticContact CG-CD2 3.67Å; Y153-F191 HydrophobicContact CG-CD2 3.67Å; Y153-F191 AromaticContact CG-CE2 3.89Å; Y153-F191 HydrophobicContact CG-CE2 3.89Å; R189-F191 VanDerWaalsContact C-N 3.31Å; R189-F191 PolarHBondContact O-N 3.37Å; F191-Y193 AromaticContact CD1-CE1 3.86Å; F191-Y193 HydrophobicContact CD1-CE1 3.86Å; F191-Y193 AromaticContact CD1-CZ 3.75Å; F191-Y193 VanDerWaalsContact CD1-OH 3.29Å; F191-Y193 WeakPolarHBondContact CD1-OH 3.48Å; F191-Y193 WeakPolarHBondContact CE1-OH 3.39Å; F191-Y193 PolarHBondContact O-N 2.7Å; F191-R194 HydrophobicContact CB-CG 4.39Å; F191-R194 WeakPolarHBondContact O-CB 3.32Å; F191-R194 WeakPolarHBondContact O-CG 3.39Å; F191-R194 PolarHBondContact O-N 2.89Å; F191-R194 VanDerWaalsContact O-N 3.15Å
192	E	98.9	Very high	98.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-59.8	-32.7	-177.7	-177.5	165.6	146	0	0	112.9	W149 Y164 I171 R189 R194 A195 Y196	W149-E192 HydrophobicContact CH2-CG 4.41Å; Y164-E192 WeakPolarHBondContact O-CG 3.4Å; I171-E192 HydrophobicContact CD1-CB 3.76Å; I171-E192 HydrophobicContact CD1-CG 3.88Å; R189-E192 HydrophobicContact CB-CB 4.47Å; R189-E192 WeakPolarHBondContact CG-OE2 3.28Å; R189-E192 IonicContact CZ-OE1 3.3Å; R189-E192 IonicContact CZ-OE2 2.84Å; R189-E192 IonicContact NE-OE1 3.25Å; R189-E192 IonicContact NE-OE2 3.6Å; R189-E192 PolarHBondContact NE-OE2 2.86Å; R189-E192 IonicContact NH2-OE1 3.91Å; R189-E192 PolarHBondContact NH2-OE1 2.77Å; R189-E192 IonicContact NH2-OE2 3.32Å; R189-E192 PolarHBondContact NH2-OE2 3.3Å; R189-E192 VanDerWaalsContact O-CB 3.32Å; R189-E192 WeakPolarHBondContact O-CB 3.31Å; R189-E192 PolarHBondContact O-N 2.85Å; R189-E192 VanDerWaalsContact O-N 3.14Å; E192-R194 PolarHBondContact O-N 3.16Å; E192-A195 PolarHBondContact O-N 3.22Å; E192-Y196 HydrophobicContact CG-CE2 4.3Å
193	Y	98.9	Very high	98.9	Very high	47 Å²	47	28.4 Å²	28.4	18%	0.184	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-54.3	-26.7	177.7	64	-97.7	0	0	0	113.5	E181 F190 F191 A195 Y196 R197	E181-Y193 WeakPolarHBondContact OE2-CB 3.4Å; F190-Y193 WeakPolarHBondContact O-CD1 3.23Å; F190-Y193 VanDerWaalsContact O-CE1 3.24Å; F190-Y193 WeakPolarHBondContact O-CE1 3.39Å; F191-Y193 AromaticContact CD1-CE1 3.86Å; F191-Y193 HydrophobicContact CD1-CE1 3.86Å; F191-Y193 AromaticContact CD1-CZ 3.75Å; F191-Y193 VanDerWaalsContact CD1-OH 3.29Å; F191-Y193 WeakPolarHBondContact CD1-OH 3.48Å; F191-Y193 WeakPolarHBondContact CE1-OH 3.39Å; F191-Y193 PolarHBondContact O-N 2.7Å; Y193-A195 PolarHBondContact O-N 3.04Å; Y193-A195 VanDerWaalsContact O-N 3.17Å; Y193-Y196 PolarHBondContact O-N 3.4Å; Y193-R197 HydrophobicContact CD2-CG 4.23Å; Y193-R197 PolarHBondContact O-N 2.59Å
194	R	98.9	Very high	98.8	Very high	136 Å²	136	33.6 Å²	33.6	51%	0.513	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-57.6	-33.3	-176.9	-69.3	-178	64.5	-118.6	-2.2	112.3	I147 F191 E192 Y196	I147-R194 HydrophobicContact CD1-CB 3.93Å; F191-R194 HydrophobicContact CB-CG 4.39Å; F191-R194 WeakPolarHBondContact O-CB 3.32Å; F191-R194 WeakPolarHBondContact O-CG 3.39Å; F191-R194 PolarHBondContact O-N 2.89Å; F191-R194 VanDerWaalsContact O-N 3.15Å; E192-R194 PolarHBondContact O-N 3.16Å; R194-Y196 PolarHBondContact O-N 3.25Å
195	A	98.9	Very high	98.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-68	-22	-179.6	0	0	0	0	0	112.9	P144 D145 I147 W149 E192 Y193	P144-A195 CarbonylContact C-O 3.51Å; P144-A195 VanDerWaalsContact CA-O 3.32Å; P144-A195 WeakPolarHBondContact CA-O 3.39Å; P144-A195 HydrophobicContact CB-CB 3.85Å; P144-A195 WeakPolarHBondContact CB-O 3.4Å; D145-A195 PolarHBondContact N-O 2.81Å; I147-A195 HydrophobicContact CD1-CB 3.78Å; I147-A195 HydrophobicContact CG1-CB 4.44Å; W149-A195 HydrophobicContact CH2-CB 3.96Å; W149-A195 HydrophobicContact CZ2-CB 3.87Å; E192-A195 PolarHBondContact O-N 3.22Å; Y193-A195 PolarHBondContact O-N 3.04Å; Y193-A195 VanDerWaalsContact O-N 3.17Å
196	Y	98.9	Very high	98.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-12.1	-173.9	-58.3	-84.3	0	0	0	113.2	I79 P144 S165 P168 I171 L172 E192 Y193 R194 S198 I199 I200	I79-Y196 HydrophobicContact CG2-CD1 4.18Å; I79-Y196 HydrophobicContact CG2-CE1 4Å; P144-Y196 HydrophobicContact CB-CD1 3.98Å; P144-Y196 HydrophobicContact CB-CE1 3.8Å; P144-Y196 HydrophobicContact CG-CE1 4.06Å; S165-Y196 PolarHBondContact O-OH 3.46Å; P168-Y196 HydrophobicContact CB-CE1 3.96Å; P168-Y196 HydrophobicContact CG-CE1 4.01Å; I171-Y196 HydrophobicContact CG2-CD2 4.12Å; I171-Y196 HydrophobicContact CG2-CE2 3.61Å; L172-Y196 HydrophobicContact CD1-CD1 3.63Å; L172-Y196 HydrophobicContact CD1-CE1 4.17Å; L172-Y196 HydrophobicContact CD1-CG 3.85Å; E192-Y196 HydrophobicContact CG-CE2 4.3Å; Y193-Y196 PolarHBondContact O-N 3.4Å; R194-Y196 PolarHBondContact O-N 3.25Å; Y196-S198 VanDerWaalsContact C-N 3.29Å; Y196-S198 PolarHBondContact O-N 3.3Å; Y196-I199 WeakPolarHBondContact O-CB 3.19Å; Y196-I199 PolarHBondContact O-N 2.85Å; Y196-I200 WeakPolarHBondContact O-CG1 3.36Å; Y196-I200 PolarHBondContact O-N 3.34Å
197	R	98.8	Very high	98.7	Very high	71 Å²	71	47.9 Å²	47.9	27%	0.268	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-31.5	-172.3	-71.6	-64.6	176.6	90.1	-4.9	114	E181 Y193 K201	E181-R197 IonicContact OE1-CZ 2.73Å; E181-R197 IonicContact OE1-NE 3.73Å; E181-R197 PolarHBondContact OE1-NE 3.3Å; E181-R197 IonicContact OE1-NH2 3.88Å; E181-R197 IonicContact OE2-CZ 3.7Å; E181-R197 IonicContact OE2-NE 2.87Å; E181-R197 PolarHBondContact OE2-NE 2.8Å; E181-R197 IonicContact OE2-NH2 3.81Å; E181-R197 PolarHBondContact OE2-NH2 3.49Å; Y193-R197 HydrophobicContact CD2-CG 4.23Å; Y193-R197 PolarHBondContact O-N 2.59Å; R197-K201 VanDerWaalsContact O-CB 3.31Å; R197-K201 WeakPolarHBondContact O-CB 3.26Å; R197-K201 VanDerWaalsContact O-CE 3.22Å; R197-K201 WeakPolarHBondContact O-CE 3.29Å; R197-K201 WeakPolarHBondContact O-CG 3.35Å; R197-K201 PolarHBondContact O-N 2.88Å
198	S	98.9	Very high	98.6	Very high	55 Å²	55	46.6 Å²	46.6	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-65	-40.9	175.4	-62.8	0	0	0	0	111.9	D145 Y196 D202	D145-S198 WeakPolarHBondContact OD2-CB 3.22Å; D145-S198 PolarHBondContact OD2-OG 2.88Å; Y196-S198 VanDerWaalsContact C-N 3.29Å; Y196-S198 PolarHBondContact O-N 3.3Å; S198-D202 PolarHBondContact O-N 2.65Å
199	I	98.9	Very high	98.6	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-49.6	175.3	-65.1	162.3	0	0	0	110.7	I79 R142 R143 Y196 K201 D202 Y203	I79-I199 HydrophobicContact CD1-CD1 4.47Å; I79-I199 HydrophobicContact CD1-CG2 3.96Å; I79-I199 HydrophobicContact CG1-CD1 4.37Å; I79-I199 HydrophobicContact CG1-CG2 4.29Å; I79-I199 HydrophobicContact CG2-CD1 4.25Å; R142-I199 HydrophobicContact CB-CD1 4.09Å; R142-I199 HydrophobicContact CB-CG1 4.37Å; R143-I199 VanDerWaalsContact O-CD1 3.31Å; R143-I199 WeakPolarHBondContact O-CD1 3.5Å; Y196-I199 WeakPolarHBondContact O-CB 3.19Å; Y196-I199 PolarHBondContact O-N 2.85Å; I199-K201 PolarHBondContact O-N 2.89Å; I199-D202 WeakPolarHBondContact O-CB 3.34Å; I199-D202 PolarHBondContact O-N 3.43Å; I199-D202 VanDerWaalsContact O-N 3.14Å; I199-Y203 HydrophobicContact CG2-CD2 3.77Å; I199-Y203 HydrophobicContact CG2-CE1 4.47Å; I199-Y203 HydrophobicContact CG2-CE2 3.17Å; I199-Y203 PolarHBondContact O-N 3.17Å
200	I	98.9	Very high	98.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-40.3	-174.2	-63.1	168.3	0	0	0	111.4	L172 I179 E181 Y196 D202 Y203 F204 W210	L172-I200 HydrophobicContact CD2-CD1 3.84Å; I179-I200 HydrophobicContact CD1-CG1 4.14Å; I179-I200 HydrophobicContact CG2-CG2 4.11Å; E181-I200 HydrophobicContact CG-CD1 4.04Å; E181-I200 WeakPolarHBondContact OE1-CD1 3.45Å; Y196-I200 WeakPolarHBondContact O-CG1 3.36Å; Y196-I200 PolarHBondContact O-N 3.34Å; I200-D202 VanDerWaalsContact C-N 3.32Å; I200-D202 PolarHBondContact O-N 3.4Å; I200-Y203 PolarHBondContact O-N 2.61Å; I200-F204 WeakPolarHBondContact O-CB 3.24Å; I200-F204 PolarHBondContact O-N 3.19Å; I200-W210 HydrophobicContact CG2-CB 4.24Å; I200-W210 VanDerWaalsContact CG2-CD1 3.46Å; I200-W210 HydrophobicContact CG2-CD2 3.52Å; I200-W210 HydrophobicContact CG2-CE3 4.19Å; I200-W210 HydrophobicContact CG2-CG 3.5Å; I200-W210 HydrophobicContact CG2-CZ2 4.28Å
201	K	98.8	Very high	98.6	Very high	102 Å²	102	54.9 Å²	54.9	44%	0.443	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-39.9	174	-74.6	-177.8	-60.8	173.1	0	112.2	R197 I199 F204 H205 W210	R197-K201 VanDerWaalsContact O-CB 3.31Å; R197-K201 WeakPolarHBondContact O-CB 3.26Å; R197-K201 VanDerWaalsContact O-CE 3.22Å; R197-K201 WeakPolarHBondContact O-CE 3.29Å; R197-K201 WeakPolarHBondContact O-CG 3.35Å; R197-K201 PolarHBondContact O-N 2.88Å; I199-K201 PolarHBondContact O-N 2.89Å; K201-F204 PolarHBondContact O-N 2.84Å; K201-H205 PolarHBondContact O-CD2 2.89Å; K201-H205 PolarHBondContact O-N 3.16Å; K201-W210 HydrophobicContact CG-CZ3 4.38Å
202	D	98.8	Very high	98.6	Very high	50 Å²	50	55.6 Å²	55.6	27%	0.267	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-44.1	174.4	162.9	59.4	0	0	0	111.5	R142 S198 I199 I200 H205 R206	R142-D202 IonicContact CZ-OD2 3.44Å; R142-D202 VanDerWaalsContact CZ-OD2 3.32Å; R142-D202 IonicContact NH1-OD2 3.22Å; R142-D202 PolarHBondContact NH1-OD2 3.39Å; R142-D202 IonicContact NH2-OD2 3.31Å; R142-D202 PolarHBondContact NH2-OD2 3.43Å; S198-D202 PolarHBondContact O-N 2.65Å; I199-D202 WeakPolarHBondContact O-CB 3.34Å; I199-D202 PolarHBondContact O-N 3.43Å; I199-D202 VanDerWaalsContact O-N 3.14Å; I200-D202 VanDerWaalsContact C-N 3.32Å; I200-D202 PolarHBondContact O-N 3.4Å; D202-H205 PolarHBondContact O-N 3.41Å; D202-R206 WeakPolarHBondContact O-CG 3.35Å; D202-R206 PolarHBondContact O-N 3.13Å; D202-R206 IonicContact OD1-CZ 3.61Å; D202-R206 IonicContact OD1-NE 2.75Å; D202-R206 PolarHBondContact OD1-NE 2.88Å; D202-R206 IonicContact OD1-NH2 3.66Å; D202-R206 IonicContact OD2-CZ 3.72Å; D202-R206 IonicContact OD2-NE 3.67Å; D202-R206 IonicContact OD2-NH2 3.41Å; D202-R206 PolarHBondContact OD2-NH2 2.72Å
203	Y	98.7	Very high	98.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-42.6	174.1	-64.7	-34.4	0	0	0	113.3	P65 V66 E77 I79 R142 I179 I199 I200 R206 G207 A208 V412	P65-Y203 HydrophobicContact CB-CD1 3.98Å; P65-Y203 HydrophobicContact CB-CE1 4.27Å; P65-Y203 HydrophobicContact CG-CD1 3.74Å; P65-Y203 HydrophobicContact CG-CG 4.46Å; V66-Y203 HydrophobicContact CG2-CD1 4.26Å; V66-Y203 HydrophobicContact CG2-CD2 3.93Å; V66-Y203 HydrophobicContact CG2-CG 3.76Å; E77-Y203 WeakPolarHBondContact OE1-CE1 3.38Å; E77-Y203 VanDerWaalsContact OE1-CZ 3.28Å; E77-Y203 PolarHBondContact OE1-OH 3.21Å; I79-Y203 HydrophobicContact CD1-CE2 4.34Å; R142-Y203 WeakPolarHBondContact CG-OH 3.43Å; R142-Y203 VanDerWaalsContact NH1-CE1 3.33Å; I179-Y203 HydrophobicContact CD1-CD2 4.49Å; I199-Y203 HydrophobicContact CG2-CD2 3.77Å; I199-Y203 HydrophobicContact CG2-CE1 4.47Å; I199-Y203 HydrophobicContact CG2-CE2 3.17Å; I199-Y203 PolarHBondContact O-N 3.17Å; I200-Y203 PolarHBondContact O-N 2.61Å; Y203-R206 VanDerWaalsContact CD1-NH2 3.34Å; Y203-R206 VanDerWaalsContact CE1-NH2 3.34Å; Y203-R206 CarbonylContact O-C 3.51Å; Y203-R206 WeakPolarHBondContact O-CA 3.32Å; Y203-R206 PolarHBondContact O-N 2.83Å; Y203-R206 VanDerWaalsContact O-N 3.07Å; Y203-G207 PolarHBondContact O-N 3.16Å; Y203-A208 WeakPolarHBondContact O-CB 3.47Å; Y203-A208 PolarHBondContact O-N 2.89Å; Y203-V412 HydrophobicContact CD2-CG1 4.37Å; Y203-V412 HydrophobicContact CE1-CG1 4.18Å; Y203-V412 HydrophobicContact CE2-CB 4.48Å; Y203-V412 HydrophobicContact CE2-CG1 3.74Å; Y203-V412 HydrophobicContact CE2-CG2 3.94Å
204	F	98.6	Very high	98.6	Very high	110 Å²	110	56.6 Å²	56.6	48%	0.482	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-44.3	177.1	-178	-103.7	0	0	0	111.7	I200 K201 R206 G207 A208 W210	I200-F204 WeakPolarHBondContact O-CB 3.24Å; I200-F204 PolarHBondContact O-N 3.19Å; K201-F204 PolarHBondContact O-N 2.84Å; F204-R206 PolarHBondContact O-N 3.23Å; F204-G207 PolarHBondContact O-N 3.02Å; F204-A208 WeakPolarHBondContact CD2-O 3.45Å; F204-W210 HydrophobicContact CB-CE3 4.35Å; F204-W210 HydrophobicContact CD2-CB 3.91Å; F204-W210 HydrophobicContact CD2-CE3 4.42Å; F204-W210 HydrophobicContact CG-CE3 4.25Å
205	H	98.2	Very high	98.6	Very high	158 Å²	158	53.5 Å²	53.5	73%	0.731	27%	0.266	S	S	*	.	H	α-helix	trans	-60.7	-26.3	174.1	-76	-51.9	0	0	0	113.4	K201 D202	K201-H205 PolarHBondContact O-CD2 2.89Å; K201-H205 PolarHBondContact O-N 3.16Å; D202-H205 PolarHBondContact O-N 3.41Å
206	R	97.5	Very high	98.6	Very high	106 Å²	106	53.6 Å²	53.6	40%	0.4	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	15.1	177.5	-66.1	-169.4	-72	140.7	-2.3	113.5	P65 D202 Y203 F204	P65-R206 VanDerWaalsContact CD-O 3.28Å; P65-R206 WeakPolarHBondContact CD-O 3.33Å; P65-R206 HydrophobicContact CG-CB 3.74Å; D202-R206 WeakPolarHBondContact O-CG 3.35Å; D202-R206 PolarHBondContact O-N 3.13Å; D202-R206 IonicContact OD1-CZ 3.61Å; D202-R206 IonicContact OD1-NE 2.75Å; D202-R206 PolarHBondContact OD1-NE 2.88Å; D202-R206 IonicContact OD1-NH2 3.66Å; D202-R206 IonicContact OD2-CZ 3.72Å; D202-R206 IonicContact OD2-NE 3.67Å; D202-R206 IonicContact OD2-NH2 3.41Å; D202-R206 PolarHBondContact OD2-NH2 2.72Å; Y203-R206 VanDerWaalsContact CD1-NH2 3.34Å; Y203-R206 VanDerWaalsContact CE1-NH2 3.34Å; Y203-R206 CarbonylContact O-C 3.51Å; Y203-R206 WeakPolarHBondContact O-CA 3.32Å; Y203-R206 PolarHBondContact O-N 2.83Å; Y203-R206 VanDerWaalsContact O-N 3.07Å; F204-R206 PolarHBondContact O-N 3.23Å
207	G	96.9	Very high	98.6	Very high	40 Å²	40	56 Å²	56	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	5.8	168	0	0	0	0	0	116.2	Y203 F204	Y203-G207 PolarHBondContact O-N 3.16Å; F204-G207 PolarHBondContact O-N 3.02Å
208	A	98.4	Very high	98.6	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.033	27%	0.269	C	S	.	.			trans	-71.6	144.1	174.1	0	0	0	0	0	111.9	V66 Y203 F204	V66-A208 HydrophobicContact CB-CB 3.75Å; V66-A208 HydrophobicContact CG2-CB 3.36Å; Y203-A208 WeakPolarHBondContact O-CB 3.47Å; Y203-A208 PolarHBondContact O-N 2.89Å; F204-A208 WeakPolarHBondContact CD2-O 3.45Å
209	K	98.6	Very high	98.6	Very high	103 Å²	103	50.5 Å²	50.5	45%	0.448	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.1	166.9	-64.9	173.1	71.6	-156	0	108.4	N177 E178 I179	N177-K209 PolarHBondContact O-N 3.04Å; E178-K209 WeakPolarHBondContact CA-O 3.36Å; E178-K209 HydrophobicContact CB-CB 3.83Å; E178-K209 HydrophobicContact CB-CD 4.39Å; E178-K209 HydrophobicContact CG-CB 3.8Å; E178-K209 WeakPolarHBondContact OE2-CE 3.3Å; E178-K209 IonicContact OE2-NZ 2.71Å; E178-K209 PolarHBondContact OE2-NZ 2.71Å; I179-K209 PolarHBondContact N-O 3.23Å
210	W	98.8	Very high	98.6	Very high	76 Å²	76	53 Å²	53	29%	0.288	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.9	177.3	171.1	28.3	0	0	0	109.6	I179 E181 I200 K201 F204 T212	I179-W210 HydrophobicContact CG2-CB 4.36Å; E181-W210 WeakPolarHBondContact OE1-CZ2 3.32Å; E181-W210 PolarHBondContact OE1-NE1 3.34Å; I200-W210 HydrophobicContact CG2-CB 4.24Å; I200-W210 VanDerWaalsContact CG2-CD1 3.46Å; I200-W210 HydrophobicContact CG2-CD2 3.52Å; I200-W210 HydrophobicContact CG2-CE3 4.19Å; I200-W210 HydrophobicContact CG2-CG 3.5Å; I200-W210 HydrophobicContact CG2-CZ2 4.28Å; K201-W210 HydrophobicContact CG-CZ3 4.38Å; F204-W210 HydrophobicContact CB-CE3 4.35Å; F204-W210 HydrophobicContact CD2-CB 3.91Å; F204-W210 HydrophobicContact CD2-CE3 4.42Å; F204-W210 HydrophobicContact CG-CE3 4.25Å; W210-T212 HydrophobicContact CZ2-CG2 4.42Å
211	T	98.9	Very high	98.6	Very high	28 Å²	28	58.2 Å²	58.2	17%	0.172	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.4	178.9	-67.8	0	0	0	0	110.3	E178 I179 I180 E181 W280	E178-T211 WeakPolarHBondContact OE1-CB 3.34Å; E178-T211 PolarHBondContact OE1-OG1 3.09Å; I179-T211 PolarHBondContact O-N 3.06Å; I180-T211 CarbonylContact C-O 3.59Å; I180-T211 WeakPolarHBondContact CA-O 3.28Å; I180-T211 HydrophobicContact CG2-CG2 4.39Å; E181-T211 PolarHBondContact N-O 3.26Å; T211-W280 HydrophobicContact CG2-CH2 3.88Å; T211-W280 HydrophobicContact CG2-CZ2 4.25Å
212	T	98.9	Very high	98.6	Very high	73 Å²	73	53.3 Å²	53.3	45%	0.448	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.2	167.4	62.4	0	0	0	0	108.4	E181 W210	E181-T212 HydrophobicContact CB-CG2 4.04Å; E181-T212 HydrophobicContact CG-CG2 4.13Å; W210-T212 HydrophobicContact CZ2-CG2 4.42Å
213	A	98.8	Very high	98.6	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.041	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-60.7	154.1	171.9	0	0	0	0	0	110.8	E181 P183 K215 F253 W280	E181-A213 PolarHBondContact O-N 2.81Å; P183-A213 HydrophobicContact CB-CB 4.43Å; P183-A213 HydrophobicContact CG-CB 4.22Å; A213-K215 PolarHBondContact O-N 2.8Å; A213-F253 HydrophobicContact CB-CE1 3.84Å; A213-F253 HydrophobicContact CB-CZ 3.74Å; A213-W280 HydrophobicContact CB-CD2 4.33Å; A213-W280 HydrophobicContact CB-CE3 3.94Å; A213-W280 HydrophobicContact CB-CH2 3.59Å; A213-W280 HydrophobicContact CB-CZ2 3.98Å; A213-W280 HydrophobicContact CB-CZ3 3.56Å
214	P	98.8	Very high	98.6	Very high	65 Å²	65	54.4 Å²	54.4	42%	0.422	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-53.5	117.7	178.9	-25.9	33.7	0	0	0	110.7	P183 P216 W280	P183-P214 WeakPolarHBondContact CB-O 3.29Å; P214-P216 WeakPolarHBondContact O-CD 3.47Å; P214-W280 VanDerWaalsContact CD-NE1 3.25Å
215	K	98.8	Very high	98.4	Very high	70 Å²	70	56.4 Å²	56.4	30%	0.304	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-70.6	120.3	-179.1	-161.9	69.6	177.2	172	0	108.9	P183 F190 A213	P183-K215 WeakPolarHBondContact O-CE 3.26Å; P183-K215 PolarHBondContact O-NZ 2.58Å; F190-K215 HydrophobicContact CE1-CG 4.3Å; F190-K215 HydrophobicContact CE2-CG 3.84Å; F190-K215 HydrophobicContact CZ-CG 3.71Å; F190-K215 WeakPolarHBondContact O-CE 3.43Å; F190-K215 PolarHBondContact O-NZ 3.48Å; A213-K215 PolarHBondContact O-N 2.8Å
216	P	98.8	Very high	98.2	Very high	3 Å²	3	56 Å²	56	2%	0.019	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-66.6	150.6	180	25.6	-34.8	0	0	0	109.6	P183 F190 P214 M218 L222 E250	P183-P216 HydrophobicContact CB-CG 4.15Å; F190-P216 VanDerWaalsContact CE2-O 3.29Å; F190-P216 WeakPolarHBondContact CE2-O 3.36Å; P214-P216 WeakPolarHBondContact O-CD 3.47Å; P216-M218 HydrophobicContact CB-CG 4.12Å; P216-M218 HydrophobicContact CG-CE 3.78Å; P216-M218 HydrophobicContact CG-CG 3.82Å; P216-M218 PolarHBondContact O-N 2.77Å; P216-L222 HydrophobicContact CB-CD2 4.31Å; P216-E250 VanDerWaalsContact CA-OE2 3.27Å; P216-E250 WeakPolarHBondContact CA-OE2 3.39Å; P216-E250 HydrophobicContact CB-CG 3.81Å; P216-E250 WeakPolarHBondContact CB-OE1 3.46Å
217	T	98.9	Very high	98.2	Very high	51 Å²	51	51.2 Å²	51.2	31%	0.313	27%	0.265	S	S	.	.			trans	-60.7	-31.3	167.9	64.9	0	0	0	0	111.4	F158 A219 E250	F158-T217 WeakPolarHBondContact CE1-O 3.2Å; T217-A219 PolarHBondContact O-N 2.83Å; T217-A219 WeakPolarHBondContact OG1-CB 3.44Å; T217-A219 PolarHBondContact OG1-N 2.85Å; T217-E250 PolarHBondContact N-OE1 3.32Å; T217-E250 PolarHBondContact N-OE2 2.68Å; T217-E250 PolarHBondContact OG1-OE1 2.9Å; T217-E250 PolarHBondContact OG1-OE2 2.99Å
218	M	98.8	Very high	98.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.			trans	54.2	32.9	-169.7	-56.8	-174.8	178.4	0	0	111.9	F158 M184 R187 F190 P216 L222 Y223 E250	F158-M218 HydrophobicContact CD1-CB 4.1Å; F158-M218 HydrophobicContact CE1-CB 3.78Å; F158-M218 HydrophobicContact CE1-SD 4.47Å; F158-M218 HydrophobicContact CZ-SD 4.41Å; M184-M218 HydrophobicContact CB-CE 4.09Å; M184-M218 VanDerWaalsContact O-CE 3.3Å; M184-M218 WeakPolarHBondContact O-CE 3.33Å; R187-M218 HydrophobicContact CG-CB 4.03Å; R187-M218 HydrophobicContact CG-SD 4.22Å; R187-M218 VanDerWaalsContact CZ-O 3.29Å; R187-M218 PolarHBondContact NE-O 3.39Å; R187-M218 PolarHBondContact NH2-O 2.77Å; F190-M218 HydrophobicContact CB-SD 4.47Å; F190-M218 HydrophobicContact CD2-CE 4.17Å; F190-M218 HydrophobicContact CD2-CG 4.36Å; F190-M218 HydrophobicContact CD2-SD 3.83Å; P216-M218 HydrophobicContact CB-CG 4.12Å; P216-M218 HydrophobicContact CG-CE 3.78Å; P216-M218 HydrophobicContact CG-CG 3.82Å; P216-M218 PolarHBondContact O-N 2.77Å; M218-L222 HydrophobicContact CB-CD2 4.36Å; M218-L222 HydrophobicContact CG-CD2 4.11Å; M218-Y223 HydrophobicContact CB-CE2 4.31Å; M218-E250 PolarHBondContact N-OE1 2.88Å
219	A	98.8	Very high	98.1	Very high	9 Å²	9	52.2 Å²	52.2	7%	0.074	26%	0.264	C	S	.	.			trans	-62.1	171.2	169.6	0	0	0	0	0	110.7	D157 T217 E221 L222 Y223	D157-A219 HydrophobicContact CB-CB 4.2Å; T217-A219 PolarHBondContact O-N 2.83Å; T217-A219 WeakPolarHBondContact OG1-CB 3.44Å; T217-A219 PolarHBondContact OG1-N 2.85Å; A219-E221 WeakPolarHBondContact CB-OE2 3.22Å; A219-E221 PolarHBondContact O-N 2.9Å; A219-L222 WeakPolarHBondContact O-CB 3.4Å; A219-L222 PolarHBondContact O-N 3.46Å; A219-L222 VanDerWaalsContact O-N 3.16Å; A219-Y223 WeakPolarHBondContact O-CD2 3.29Å
220	D	98.7	Very high	98	Very high	58 Å²	58	54 Å²	54	31%	0.31	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-62.7	-28.4	-174.8	-70.9	-28.7	0	0	0	112.4	R187 L222 Y223 R225	R187-D220 IonicContact CZ-OD1 3.4Å; R187-D220 IonicContact NH1-OD1 3.59Å; R187-D220 PolarHBondContact NH1-OD1 2.72Å; R187-D220 IonicContact NH2-OD1 3.83Å; R187-D220 PolarHBondContact NH2-OD1 2.68Å; D220-L222 PolarHBondContact O-N 3.11Å; D220-Y223 PolarHBondContact O-N 2.82Å; D220-R225 IonicContact OD1-CZ 3.69Å; D220-R225 VanDerWaalsContact OD1-CZ 3.27Å; D220-R225 IonicContact OD1-NE 2.79Å; D220-R225 PolarHBondContact OD1-NE 2.92Å; D220-R225 IonicContact OD1-NH2 3.36Å; D220-R225 PolarHBondContact OD1-NH2 2.69Å; D220-R225 IonicContact OD2-CZ 3.89Å; D220-R225 IonicContact OD2-NE 3.59Å; D220-R225 IonicContact OD2-NH1 3.39Å; D220-R225 PolarHBondContact OD2-NH1 3.4Å; D220-R225 IonicContact OD2-NH2 2.72Å; D220-R225 PolarHBondContact OD2-NH2 3.36Å
221	E	98.8	Very high	97.9	Very high	111 Å²	111	51.7 Å²	51.7	52%	0.519	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.8	177.8	-63.8	89	156	0	0	113.5	A219 Y223 T247 F249	A219-E221 WeakPolarHBondContact CB-OE2 3.22Å; A219-E221 PolarHBondContact O-N 2.9Å; E221-Y223 PolarHBondContact O-N 2.88Å; E221-T247 WeakPolarHBondContact O-CG2 3.22Å; E221-T247 PolarHBondContact O-OG1 2.87Å; E221-F249 HydrophobicContact CB-CB 4.26Å; E221-F249 HydrophobicContact CB-CD1 3.83Å; E221-F249 HydrophobicContact CB-CD2 3.6Å; E221-F249 HydrophobicContact CB-CE1 4.02Å; E221-F249 HydrophobicContact CB-CE2 3.79Å; E221-F249 HydrophobicContact CB-CG 3.62Å; E221-F249 HydrophobicContact CB-CZ 3.99Å; E221-F249 HydrophobicContact CG-CD2 4.33Å; E221-F249 HydrophobicContact CG-CE2 4.12Å; E221-F249 HydrophobicContact CG-CZ 4.36Å
222	L	98.9	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-69.6	-20.8	174	-175.9	58.3	0	0	0	111.8	P216 M218 A219 D220 T246 T247 E250 C252	P216-L222 HydrophobicContact CB-CD2 4.31Å; M218-L222 HydrophobicContact CB-CD2 4.36Å; M218-L222 HydrophobicContact CG-CD2 4.11Å; A219-L222 WeakPolarHBondContact O-CB 3.4Å; A219-L222 PolarHBondContact O-N 3.46Å; A219-L222 VanDerWaalsContact O-N 3.16Å; D220-L222 PolarHBondContact O-N 3.11Å; L222-T246 CarbonylContact O-C 3.42Å; L222-T246 VanDerWaalsContact O-CA 3.31Å; L222-T246 WeakPolarHBondContact O-CA 3.23Å; L222-T247 PolarHBondContact O-N 3.33Å; L222-T247 PolarHBondContact O-OG1 2.87Å; L222-E250 HydrophobicContact CD1-CG 4.12Å; L222-C252 HydrophobicContact CD1-CB 4.37Å; L222-C252 HydrophobicContact CD2-CB 4.33Å
223	Y	98.8	Very high	97.6	Very high	10 Å²	10	53.2 Å²	53.2	4%	0.039	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-118.9	130.6	-172.4	-50.3	-73.8	0	0	0	112.5	I93 E94 A185 R187 M218 A219 D220 E221 R225 V245 T246	I93-Y223 HydrophobicContact CG2-CG 4.43Å; E94-Y223 HydrophobicContact CB-CD1 4.02Å; E94-Y223 HydrophobicContact CB-CE1 3.86Å; E94-Y223 HydrophobicContact CG-CE1 4.03Å; A185-Y223 VanDerWaalsContact O-CE1 3.31Å; A185-Y223 WeakPolarHBondContact O-CE1 3.09Å; A185-Y223 PolarHBondContact O-OH 3.24Å; R187-Y223 HydrophobicContact CG-CE2 4.33Å; M218-Y223 HydrophobicContact CB-CE2 4.31Å; A219-Y223 WeakPolarHBondContact O-CD2 3.29Å; D220-Y223 PolarHBondContact O-N 2.82Å; E221-Y223 PolarHBondContact O-N 2.88Å; Y223-R225 PolarHBondContact O-N 3.37Å; Y223-V245 CarbonylContact C-O 3.45Å; Y223-V245 VanDerWaalsContact CA-O 3.26Å; Y223-V245 WeakPolarHBondContact CA-O 3.24Å; Y223-T246 HydrophobicContact CD1-CG2 4.45Å; Y223-T246 HydrophobicContact CE1-CG2 4.46Å
224	D	98.1	Very high	97.5	Very high	63 Å²	63	55 Å²	55	34%	0.337	28%	0.279	S	S	.	.			trans	-69.5	96.1	162.2	-176.4	0.9	0	0	0	108.8	D226 Y227 V245	D224-D226 PolarHBondContact O-N 2.8Å; D224-D226 PolarHBondContact OD1-N 3.26Å; D224-Y227 VanDerWaalsContact O-CB 3.23Å; D224-Y227 WeakPolarHBondContact O-CB 3.34Å; D224-Y227 PolarHBondContact O-N 2.98Å; D224-Y227 VanDerWaalsContact O-N 3.17Å; D224-Y227 PolarHBondContact OD1-N 2.97Å; D224-V245 PolarHBondContact N-O 2.79Å
225	R	95	Very high	97.5	Very high	151 Å²	151	52 Å²	52	57%	0.57	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.3	-178.1	-73.7	-173.9	146.8	-164.1	-4.7	113.3	D220 Y223	D220-R225 IonicContact OD1-CZ 3.69Å; D220-R225 VanDerWaalsContact OD1-CZ 3.27Å; D220-R225 IonicContact OD1-NE 2.79Å; D220-R225 PolarHBondContact OD1-NE 2.92Å; D220-R225 IonicContact OD1-NH2 3.36Å; D220-R225 PolarHBondContact OD1-NH2 2.69Å; D220-R225 IonicContact OD2-CZ 3.89Å; D220-R225 IonicContact OD2-NE 3.59Å; D220-R225 IonicContact OD2-NH1 3.39Å; D220-R225 PolarHBondContact OD2-NH1 3.4Å; D220-R225 IonicContact OD2-NH2 2.72Å; D220-R225 PolarHBondContact OD2-NH2 3.36Å; Y223-R225 PolarHBondContact O-N 3.37Å
226	D	94.8	Very high	97.4	Very high	149 Å²	149	50.5 Å²	50.5	80%	0.797	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	19.1	179.8	-63.2	-39.8	0	0	0	111.5	D224 P228	D224-D226 PolarHBondContact O-N 2.8Å; D224-D226 PolarHBondContact OD1-N 3.26Å; D226-P228 VanDerWaalsContact O-CD 3.3Å; D226-P228 WeakPolarHBondContact O-CD 3.32Å
227	Y	97.1	Very high	97.3	Very high	6 Å²	6	55.3 Å²	55.3	2%	0.024	27%	0.274	C	S	.	.			trans	-51.1	113.3	-179.7	-173	-115.6	0	0	0	110.5	A97 D224 I229 L238 K243 F244 V245 Q271	A97-Y227 HydrophobicContact CB-CD1 4.09Å; A97-Y227 HydrophobicContact CB-CE1 4Å; D224-Y227 VanDerWaalsContact O-CB 3.23Å; D224-Y227 WeakPolarHBondContact O-CB 3.34Å; D224-Y227 PolarHBondContact O-N 2.98Å; D224-Y227 VanDerWaalsContact O-N 3.17Å; D224-Y227 PolarHBondContact OD1-N 2.97Å; Y227-I229 HydrophobicContact CD1-CB 3.9Å; Y227-I229 HydrophobicContact CD1-CG2 3.69Å; Y227-I229 HydrophobicContact CE1-CB 3.97Å; Y227-I229 HydrophobicContact CE1-CG2 4.17Å; Y227-I229 PolarHBondContact O-N 2.76Å; Y227-L238 HydrophobicContact CD2-CD1 4.34Å; Y227-L238 HydrophobicContact CE1-CD1 4.14Å; Y227-L238 HydrophobicContact CE2-CB 4.17Å; Y227-L238 HydrophobicContact CE2-CD1 3.73Å; Y227-L238 HydrophobicContact CE2-CG 4.43Å; Y227-K243 PolarHBondContact OH-O 3.04Å; Y227-F244 VanDerWaalsContact CE2-CA 3.45Å; Y227-V245 HydrophobicContact CD1-CB 4.13Å; Y227-V245 HydrophobicContact CD1-CG2 4.46Å; Y227-V245 HydrophobicContact CE1-CB 4.45Å; Y227-V245 HydrophobicContact CG-CB 4.22Å; Y227-V245 HydrophobicContact CG-CG2 4.44Å; Y227-Q271 PolarHBondContact OH-NE2 3.49Å
228	P	96.3	Very high	97.2	Very high	65 Å²	65	53.5 Å²	53.5	42%	0.422	26%	0.262	S	S	.	.			trans	-83.2	60.3	-162.2	32.2	-36.1	0	0	0	112.1	D226 L238	D226-P228 VanDerWaalsContact O-CD 3.3Å; D226-P228 WeakPolarHBondContact O-CD 3.32Å; P228-L238 HydrophobicContact CG-CD1 3.94Å; P228-L238 HydrophobicContact CG-CD2 3.9Å
229	I	96.5	Very high	97.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.			trans	-97.6	116.5	177.2	-171	-177.9	0	0	0	110.9	K96 W104 Y227 S231 R235	K96-I229 HydrophobicContact CD-CG2 4.11Å; K96-I229 WeakPolarHBondContact CE-O 3.5Å; K96-I229 HydrophobicContact CG-CG2 4.23Å; K96-I229 PolarHBondContact NZ-O 3.46Å; W104-I229 HydrophobicContact CH2-CG1 4.21Å; W104-I229 HydrophobicContact CZ2-CD1 4.03Å; W104-I229 HydrophobicContact CZ2-CG1 4.2Å; Y227-I229 HydrophobicContact CD1-CB 3.9Å; Y227-I229 HydrophobicContact CD1-CG2 3.69Å; Y227-I229 HydrophobicContact CE1-CB 3.97Å; Y227-I229 HydrophobicContact CE1-CG2 4.17Å; Y227-I229 PolarHBondContact O-N 2.76Å; I229-S231 WeakPolarHBondContact CG1-O 3.37Å; I229-R235 HydrophobicContact CD1-CB 3.82Å; I229-R235 HydrophobicContact CD1-CG 4.29Å; I229-R235 HydrophobicContact CG1-CB 4.21Å
230	H	96.4	Very high	97	Very high	142 Å²	142	58.1 Å²	58.1	66%	0.657	30%	0.301	S	S	*	.	S	Bend	trans	-115.8	-17.1	170.8	-54.5	-72.6	0	0	0	112.5	W104 D234	W104-H230 VanDerWaalsContact CH2-C 3.47Å; W104-H230 WeakPolarHBondContact CH2-O 3.49Å; W104-H230 WeakPolarHBondContact CZ3-O 3.5Å; H230-D234 WeakPolarHBondContact CA-OD2 3.46Å; H230-D234 WeakPolarHBondContact CB-OD2 3.41Å; H230-D234 PolarHBondContact N-OD2 3.3Å; H230-D234 VanDerWaalsContact N-OD2 3.1Å
231	S	97.1	Very high	96.9	Very high	27 Å²	27	61 Å²	61	19%	0.189	31%	0.312	C	S	.	.	S	Bend	trans	-150.3	166.2	174.4	64	0	0	0	0	111.2	I229 E233 D234 R235	I229-S231 WeakPolarHBondContact CG1-O 3.37Å; S231-E233 PolarHBondContact O-N 3.27Å; S231-E233 PolarHBondContact OG-N 3.35Å; S231-D234 PolarHBondContact N-OD2 2.86Å; S231-D234 PolarHBondContact O-N 3.01Å; S231-D234 VanDerWaalsContact OG-CG 3.31Å; S231-D234 PolarHBondContact OG-N 3.41Å; S231-D234 PolarHBondContact OG-OD2 3.48Å; S231-R235 PolarHBondContact O-N 3.45Å
232	V	95.8	Very high	96.8	Very high	14 Å²	14	57.9 Å²	57.9	9%	0.085	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-31.3	168.9	163.5	0	0	0	0	112.7	Y100 E101 R235 H236	Y100-V232 HydrophobicContact CD1-CB 4.38Å; Y100-V232 HydrophobicContact CD1-CG2 3.45Å; Y100-V232 VanDerWaalsContact CD1-CG2 3.45Å; Y100-V232 HydrophobicContact CE1-CB 4.47Å; Y100-V232 HydrophobicContact CE1-CG1 4.17Å; Y100-V232 HydrophobicContact CE1-CG2 3.84Å; Y100-V232 HydrophobicContact CG-CG2 4.09Å; E101-V232 WeakPolarHBondContact OE2-CG2 3.39Å; E101-V232 PolarHBondContact OE2-N 2.93Å; E101-V232 VanDerWaalsContact OE2-N 3.15Å; V232-R235 WeakPolarHBondContact O-CB 3.32Å; V232-R235 PolarHBondContact O-N 2.86Å; V232-H236 VanDerWaalsContact CG1-CE1 3.46Å; V232-H236 WeakPolarHBondContact CG1-CE1 3.48Å; V232-H236 PolarHBondContact O-N 3.2Å; V232-H236 VanDerWaalsContact O-N 3.08Å
233	E	96.9	Very high	96.8	Very high	118 Å²	118	63 Å²	63	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-63.5	-42.7	177.2	-167.6	-171.4	154.1	0	0	111.7	S231 R235 H236 K237	S231-E233 PolarHBondContact O-N 3.27Å; S231-E233 PolarHBondContact OG-N 3.35Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 2.82Å; E233-H236 PolarHBondContact O-N 3.34Å; E233-K237 PolarHBondContact O-N 3.19Å; E233-K237 VanDerWaalsContact O-N 3.09Å; E233-K237 VanDerWaalsContact OE1-CE 3.23Å; E233-K237 WeakPolarHBondContact OE1-CE 3.31Å; E233-K237 IonicContact OE1-NZ 2.77Å; E233-K237 PolarHBondContact OE1-NZ 2.59Å
234	D	96.4	Very high	96.8	Very high	43 Å²	43	63.7 Å²	63.7	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-43.4	176	-58.7	-40.4	0	0	0	110.8	H230 S231 H236 K237 L238	H230-D234 WeakPolarHBondContact CA-OD2 3.46Å; H230-D234 WeakPolarHBondContact CB-OD2 3.41Å; H230-D234 PolarHBondContact N-OD2 3.3Å; H230-D234 VanDerWaalsContact N-OD2 3.1Å; S231-D234 PolarHBondContact N-OD2 2.86Å; S231-D234 PolarHBondContact O-N 3.01Å; S231-D234 VanDerWaalsContact OG-CG 3.31Å; S231-D234 PolarHBondContact OG-N 3.41Å; S231-D234 PolarHBondContact OG-OD2 3.48Å; D234-H236 VanDerWaalsContact C-N 3.32Å; D234-H236 PolarHBondContact O-N 3.46Å; D234-K237 WeakPolarHBondContact O-CB 3.32Å; D234-K237 PolarHBondContact O-N 3.44Å; D234-L238 WeakPolarHBondContact O-CB 3.31Å; D234-L238 VanDerWaalsContact O-CG 3.26Å; D234-L238 WeakPolarHBondContact O-CG 3.17Å; D234-L238 PolarHBondContact O-N 3.16Å
235	R	97.4	Very high	96.8	Very high	3 Å²	3	60.7 Å²	60.7	1%	0.011	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-42.1	177.2	-173.3	-170.1	67.7	-155.5	-6.2	111.9	A97 I229 S231 V232 E233 L238 A239 P301	A97-R235 WeakPolarHBondContact O-CD 3.35Å; A97-R235 PolarHBondContact O-NH1 2.95Å; I229-R235 HydrophobicContact CD1-CB 3.82Å; I229-R235 HydrophobicContact CD1-CG 4.29Å; I229-R235 HydrophobicContact CG1-CB 4.21Å; S231-R235 PolarHBondContact O-N 3.45Å; V232-R235 WeakPolarHBondContact O-CB 3.32Å; V232-R235 PolarHBondContact O-N 2.86Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 2.82Å; R235-L238 PolarHBondContact O-N 3.32Å; R235-A239 WeakPolarHBondContact O-CB 3.44Å; R235-A239 PolarHBondContact O-N 3.36Å; R235-P301 VanDerWaalsContact CZ-CD 3.49Å; R235-P301 VanDerWaalsContact NH1-CG 3.25Å
236	H	96.6	Very high	97	Very high	37 Å²	37	53.6 Å²	53.6	17%	0.171	29%	0.293	C	S	.	.	H	α-helix	trans	-64.8	-41.3	177.6	-65	168.5	0	0	0	111.6	V232 E233 D234 L238 A239 A240 D298	V232-H236 VanDerWaalsContact CG1-CE1 3.46Å; V232-H236 WeakPolarHBondContact CG1-CE1 3.48Å; V232-H236 PolarHBondContact O-N 3.2Å; V232-H236 VanDerWaalsContact O-N 3.08Å; E233-H236 PolarHBondContact O-N 3.34Å; D234-H236 VanDerWaalsContact C-N 3.32Å; D234-H236 PolarHBondContact O-N 3.46Å; H236-L238 PolarHBondContact O-N 3.12Å; H236-A239 PolarHBondContact O-N 3.03Å; H236-A240 WeakPolarHBondContact O-CB 3.35Å; H236-A240 PolarHBondContact O-N 2.87Å; H236-D298 WeakPolarHBondContact CB-OD1 3.31Å; H236-D298 IonicContact CG-OD1 2.72Å; H236-D298 IonicContact ND1-OD1 2.83Å
237	K	97.4	Very high	97.2	Very high	105 Å²	105	48.7 Å²	48.7	46%	0.457	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-41.7	174	-69.6	172.5	-174.1	161.1	0	112	E233 D234 Q241	E233-K237 PolarHBondContact O-N 3.19Å; E233-K237 VanDerWaalsContact O-N 3.09Å; E233-K237 VanDerWaalsContact OE1-CE 3.23Å; E233-K237 WeakPolarHBondContact OE1-CE 3.31Å; E233-K237 IonicContact OE1-NZ 2.77Å; E233-K237 PolarHBondContact OE1-NZ 2.59Å; D234-K237 WeakPolarHBondContact O-CB 3.32Å; D234-K237 PolarHBondContact O-N 3.44Å; K237-Q241 WeakPolarHBondContact O-CG 3.32Å; K237-Q241 PolarHBondContact O-N 3.15Å; K237-Q241 PolarHBondContact O-NE2 3.32Å
238	L	97.6	Very high	97.2	Very high	13 Å²	13	51.9 Å²	51.9	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-46.2	177.1	-70	166.1	0	0	0	111.5	Y227 P228 D234 R235 H236 A240 Q241 G242 K243	Y227-L238 HydrophobicContact CD2-CD1 4.34Å; Y227-L238 HydrophobicContact CE1-CD1 4.14Å; Y227-L238 HydrophobicContact CE2-CB 4.17Å; Y227-L238 HydrophobicContact CE2-CD1 3.73Å; Y227-L238 HydrophobicContact CE2-CG 4.43Å; P228-L238 HydrophobicContact CG-CD1 3.94Å; P228-L238 HydrophobicContact CG-CD2 3.9Å; D234-L238 WeakPolarHBondContact O-CB 3.31Å; D234-L238 VanDerWaalsContact O-CG 3.26Å; D234-L238 WeakPolarHBondContact O-CG 3.17Å; D234-L238 PolarHBondContact O-N 3.16Å; R235-L238 PolarHBondContact O-N 3.32Å; H236-L238 PolarHBondContact O-N 3.12Å; L238-A240 VanDerWaalsContact C-N 3.3Å; L238-A240 PolarHBondContact O-N 3.23Å; L238-Q241 CarbonylContact O-C 3.48Å; L238-Q241 WeakPolarHBondContact O-CA 3.49Å; L238-Q241 WeakPolarHBondContact O-CB 3.18Å; L238-Q241 PolarHBondContact O-N 3.17Å; L238-G242 PolarHBondContact O-N 2.98Å; L238-K243 CarbonylContact C-O 3.59Å; L238-K243 HydrophobicContact CB-CB 4.16Å; L238-K243 HydrophobicContact CD2-CB 4.17Å; L238-K243 HydrophobicContact CD2-CD 3.87Å; L238-K243 PolarHBondContact O-N 3.01Å
239	A	96.4	Very high	97.4	Very high	15 Å²	15	53.9 Å²	53.9	12%	0.124	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-40	177.3	0	0	0	0	0	111.9	R235 H236 Q241 G242 K243 F244 P299	R235-A239 WeakPolarHBondContact O-CB 3.44Å; R235-A239 PolarHBondContact O-N 3.36Å; H236-A239 PolarHBondContact O-N 3.03Å; A239-Q241 PolarHBondContact O-N 3.2Å; A239-G242 PolarHBondContact O-N 3.42Å; A239-K243 PolarHBondContact N-O 2.83Å; A239-F244 HydrophobicContact CB-CE1 4Å; A239-F244 HydrophobicContact CB-CZ 4.18Å; A239-P299 HydrophobicContact CB-CG 4.08Å
240	A	96.1	Very high	97.5	Very high	91 Å²	91	55.2 Å²	55.2	75%	0.752	29%	0.292	S	S	*	.	H	α-helix	trans	-63.9	-25.1	173.9	0	0	0	0	0	113.4	H236 L238 G242	H236-A240 WeakPolarHBondContact O-CB 3.35Å; H236-A240 PolarHBondContact O-N 2.87Å; L238-A240 VanDerWaalsContact C-N 3.3Å; L238-A240 PolarHBondContact O-N 3.23Å; A240-G242 VanDerWaalsContact C-N 3.3Å
241	Q	97.4	Very high	97.6	Very high	117 Å²	117	50.1 Å²	50.1	55%	0.547	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2.5	172.4	-64.3	168	29.8	0	0	113	K237 L238 A239 K243	K237-Q241 WeakPolarHBondContact O-CG 3.32Å; K237-Q241 PolarHBondContact O-N 3.15Å; K237-Q241 PolarHBondContact O-NE2 3.32Å; L238-Q241 CarbonylContact O-C 3.48Å; L238-Q241 WeakPolarHBondContact O-CA 3.49Å; L238-Q241 WeakPolarHBondContact O-CB 3.18Å; L238-Q241 PolarHBondContact O-N 3.17Å; A239-Q241 PolarHBondContact O-N 3.2Å; Q241-K243 VanDerWaalsContact C-N 3.26Å; Q241-K243 HydrophobicContact CB-CD 4.32Å; Q241-K243 HydrophobicContact CB-CG 4.27Å; Q241-K243 PolarHBondContact O-N 3.19Å
242	G	95.9	Very high	97.7	Very high	46 Å²	46	48.9 Å²	48.9	47%	0.474	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	17	-173.8	0	0	0	0	0	114	L238 A239 A240 F244	L238-G242 PolarHBondContact O-N 2.98Å; A239-G242 PolarHBondContact O-N 3.42Å; A240-G242 VanDerWaalsContact C-N 3.3Å; G242-F244 WeakPolarHBondContact O-CD2 3.26Å
243	K	98.1	Very high	97.8	Very high	109 Å²	109	48.2 Å²	48.2	47%	0.474	26%	0.259	S	S	.	.			trans	-101.3	131.9	179	-64.7	176.1	-177.5	164.6	0	110.5	Y227 L238 A239 Q241	Y227-K243 PolarHBondContact OH-O 3.04Å; L238-K243 CarbonylContact C-O 3.59Å; L238-K243 HydrophobicContact CB-CB 4.16Å; L238-K243 HydrophobicContact CD2-CB 4.17Å; L238-K243 HydrophobicContact CD2-CD 3.87Å; L238-K243 PolarHBondContact O-N 3.01Å; A239-K243 PolarHBondContact N-O 2.83Å; Q241-K243 VanDerWaalsContact C-N 3.26Å; Q241-K243 HydrophobicContact CB-CD 4.32Å; Q241-K243 HydrophobicContact CB-CG 4.27Å; Q241-K243 PolarHBondContact O-N 3.19Å
244	F	98.6	Very high	97.9	Very high	23 Å²	23	42.7 Å²	42.7	10%	0.101	23%	0.233	C	C	.	.			trans	-147.3	165.1	-177.9	-57.1	-108.3	0	0	0	108.8	Y227 A239 G242 T246 R269 Q271	Y227-F244 VanDerWaalsContact CE2-CA 3.45Å; A239-F244 HydrophobicContact CB-CE1 4Å; A239-F244 HydrophobicContact CB-CZ 4.18Å; G242-F244 WeakPolarHBondContact O-CD2 3.26Å; F244-T246 VanDerWaalsContact C-N 3.25Å; F244-T246 PolarHBondContact O-N 3.14Å; F244-R269 VanDerWaalsContact CD2-NH1 3.34Å; F244-R269 VanDerWaalsContact CD2-NH2 3.31Å; F244-R269 VanDerWaalsContact CE2-CD 3.44Å; F244-Q271 HydrophobicContact CD1-CG 4.38Å
245	V	98.8	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-64.7	-30.3	-178.9	73.2	0	0	0	0	112.3	I93 E94 A97 Y223 D224 Y227 Q271	I93-V245 HydrophobicContact CB-CG2 4.32Å; I93-V245 HydrophobicContact CG1-CG2 3.76Å; I93-V245 HydrophobicContact CG2-CG2 3.92Å; E94-V245 HydrophobicContact CB-CG1 4.34Å; A97-V245 HydrophobicContact CB-CB 3.73Å; A97-V245 HydrophobicContact CB-CG1 3.81Å; A97-V245 HydrophobicContact CB-CG2 4.12Å; Y223-V245 CarbonylContact C-O 3.45Å; Y223-V245 VanDerWaalsContact CA-O 3.26Å; Y223-V245 WeakPolarHBondContact CA-O 3.24Å; D224-V245 PolarHBondContact N-O 2.79Å; Y227-V245 HydrophobicContact CD1-CB 4.13Å; Y227-V245 HydrophobicContact CD1-CG2 4.46Å; Y227-V245 HydrophobicContact CE1-CB 4.45Å; Y227-V245 HydrophobicContact CG-CB 4.22Å; Y227-V245 HydrophobicContact CG-CG2 4.44Å; V245-Q271 HydrophobicContact CG1-CB 4.04Å
246	T	98.8	Very high	98.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-88.9	132.2	175.7	42.1	0	0	0	0	111.7	A185 L222 Y223 F244 R269 Q271	A185-T246 HydrophobicContact CB-CG2 4.26Å; L222-T246 CarbonylContact O-C 3.42Å; L222-T246 VanDerWaalsContact O-CA 3.31Å; L222-T246 WeakPolarHBondContact O-CA 3.23Å; Y223-T246 HydrophobicContact CD1-CG2 4.45Å; Y223-T246 HydrophobicContact CE1-CG2 4.46Å; F244-T246 VanDerWaalsContact C-N 3.25Å; F244-T246 PolarHBondContact O-N 3.14Å; T246-R269 PolarHBondContact O-NH2 3.28Å; T246-R269 PolarHBondContact OG1-NH1 2.75Å; T246-Q271 WeakPolarHBondContact CB-O 3.38Å; T246-Q271 WeakPolarHBondContact CG2-O 3.37Å; T246-Q271 PolarHBondContact OG1-O 3.23Å
247	T	98.8	Very high	98.2	Very high	46 Å²	46	38.9 Å²	38.9	28%	0.282	21%	0.214	S	C	.	.			trans	-84.9	-178.4	172.8	74.8	0	0	0	0	110.9	E221 L222 F249 N274	E221-T247 WeakPolarHBondContact O-CG2 3.22Å; E221-T247 PolarHBondContact O-OG1 2.87Å; L222-T247 PolarHBondContact O-N 3.33Å; L222-T247 PolarHBondContact O-OG1 2.87Å; T247-F249 VanDerWaalsContact C-N 3.35Å; T247-F249 WeakPolarHBondContact OG1-CB 3.39Å; T247-F249 PolarHBondContact OG1-N 3.36Å; T247-F249 VanDerWaalsContact OG1-N 3.16Å; T247-N274 PolarHBondContact O-ND2 3.35Å
248	E	98.8	Very high	98.3	Very high	72 Å²	72	34 Å²	34	34%	0.336	19%	0.193	S	C	.	.	S	Bend	trans	-99.3	31.6	171	-59.5	-64.3	157.3	0	0	111.4	N274 Y275 L276	E248-N274 WeakPolarHBondContact OE1-CB 3.44Å; E248-Y275 VanDerWaalsContact OE1-CD2 3.27Å; E248-Y275 WeakPolarHBondContact OE1-CD2 3.23Å; E248-Y275 PolarHBondContact OE1-N 3.46Å; E248-Y275 PolarHBondContact OE2-N 3.39Å; E248-Y275 VanDerWaalsContact OE2-N 3.12Å; E248-L276 HydrophobicContact CB-CD1 4.37Å; E248-L276 HydrophobicContact CB-CG 4.49Å; E248-L276 WeakPolarHBondContact O-CD1 3.42Å; E248-L276 WeakPolarHBondContact OE2-CG 3.44Å; E248-L276 PolarHBondContact OE2-N 2.71Å
249	F	98.9	Very high	98.4	Very high	108 Å²	108	33.4 Å²	33.4	47%	0.474	19%	0.19	S	C	.	.	S	Bend	trans	-64.1	-44.5	179.1	174.9	-110.8	0	0	0	112.4	E221 T247	E221-F249 HydrophobicContact CB-CB 4.26Å; E221-F249 HydrophobicContact CB-CD1 3.83Å; E221-F249 HydrophobicContact CB-CD2 3.6Å; E221-F249 HydrophobicContact CB-CE1 4.02Å; E221-F249 HydrophobicContact CB-CE2 3.79Å; E221-F249 HydrophobicContact CB-CG 3.62Å; E221-F249 HydrophobicContact CB-CZ 3.99Å; E221-F249 HydrophobicContact CG-CD2 4.33Å; E221-F249 HydrophobicContact CG-CE2 4.12Å; E221-F249 HydrophobicContact CG-CZ 4.36Å; T247-F249 VanDerWaalsContact C-N 3.35Å; T247-F249 WeakPolarHBondContact OG1-CB 3.39Å; T247-F249 PolarHBondContact OG1-N 3.36Å; T247-F249 VanDerWaalsContact OG1-N 3.16Å
250	E	98.9	Very high	98.5	Very high	27 Å²	27	32.9 Å²	32.9	13%	0.126	19%	0.185	C	C	.	.	S	Bend	trans	-150.9	160.9	178.3	62.4	-175.1	158.9	0	0	110.7	P216 T217 M218 L222 C252 N274	P216-E250 VanDerWaalsContact CA-OE2 3.27Å; P216-E250 WeakPolarHBondContact CA-OE2 3.39Å; P216-E250 HydrophobicContact CB-CG 3.81Å; P216-E250 WeakPolarHBondContact CB-OE1 3.46Å; T217-E250 PolarHBondContact N-OE1 3.32Å; T217-E250 PolarHBondContact N-OE2 2.68Å; T217-E250 PolarHBondContact OG1-OE1 2.9Å; T217-E250 PolarHBondContact OG1-OE2 2.99Å; M218-E250 PolarHBondContact N-OE1 2.88Å; L222-E250 HydrophobicContact CD1-CG 4.12Å; E250-C252 PolarHBondContact O-N 2.77Å; E250-N274 PolarHBondContact O-ND2 3.47Å
251	P	98.9	Very high	98.6	Very high	36 Å²	36	28.6 Å²	28.6	23%	0.234	15%	0.149	C	C	.	.			trans	-61.5	125	178.9	-21.1	32.2	0	0	0	112.4	L276	P251-L276 HydrophobicContact CB-CB 4.31Å; P251-L276 HydrophobicContact CG-CB 4.2Å
252	C	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.			trans	-140.6	143	168.8	74.5	0	0	0	0	110.5	A185 L222 E250 V272 T273 N274	A185-C252 HydrophobicContact CB-CB 3.99Å; L222-C252 HydrophobicContact CD1-CB 4.37Å; L222-C252 HydrophobicContact CD2-CB 4.33Å; E250-C252 PolarHBondContact O-N 2.77Å; C252-V272 CarbonylContact C-O 3.54Å; C252-V272 PolarHBondContact SG-O 3.18Å; C252-T273 WeakPolarHBondContact O-CA 3.39Å; C252-N274 PolarHBondContact N-OD1 2.84Å; C252-N274 PolarHBondContact O-N 2.8Å; C252-N274 VanDerWaalsContact O-N 3.08Å; C252-N274 PolarHBondContact O-OD1 3.17Å
253	F	98.9	Very high	98.8	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	12%	0.118	C	C	.	.			trans	-164.8	153.2	175.4	65.8	-91.1	0	0	0	111.5	A182 P183 M184 A213 F258 V272 T273 W280 M281	A182-F253 HydrophobicContact CB-CD2 3.95Å; A182-F253 HydrophobicContact CB-CE2 3.7Å; A182-F253 HydrophobicContact CB-CZ 4.5Å; P183-F253 VanDerWaalsContact CD-CD1 3.45Å; P183-F253 WeakPolarHBondContact CD-O 3.46Å; P183-F253 HydrophobicContact CG-CD1 3.41Å; P183-F253 VanDerWaalsContact CG-CD1 3.41Å; P183-F253 HydrophobicContact CG-CD2 4.47Å; P183-F253 HydrophobicContact CG-CE1 3.56Å; P183-F253 HydrophobicContact CG-CG 3.92Å; P183-F253 HydrophobicContact CG-CZ 4.17Å; M184-F253 WeakPolarHBondContact CA-O 3.3Å; M184-F253 PolarHBondContact N-O 2.68Å; A213-F253 HydrophobicContact CB-CE1 3.84Å; A213-F253 HydrophobicContact CB-CZ 3.74Å; F253-F258 HydrophobicContact CB-CE2 4.03Å; F253-F258 HydrophobicContact CD2-CD2 4.34Å; F253-F258 AromaticContact CD2-CE2 3.58Å; F253-F258 HydrophobicContact CD2-CE2 3.58Å; F253-F258 HydrophobicContact CD2-CZ 4.29Å; F253-F258 HydrophobicContact CE2-CE2 4.25Å; F253-F258 AromaticContact CG-CE2 3.98Å; F253-F258 HydrophobicContact CG-CE2 3.98Å; F253-F258 HydrophobicContact CG-CZ 4.42Å; F253-V272 VanDerWaalsContact CA-O 3.25Å; F253-V272 WeakPolarHBondContact CA-O 3.46Å; F253-V272 PolarHBondContact N-O 3.31Å; F253-T273 VanDerWaalsContact CA-OG1 3.32Å; F253-T273 WeakPolarHBondContact CA-OG1 3.38Å; F253-T273 HydrophobicContact CB-CG2 3.64Å; F253-T273 WeakPolarHBondContact CB-OG1 3.33Å; F253-W280 AromaticContact CE1-CE3 3.68Å; F253-W280 HydrophobicContact CE1-CE3 3.68Å; F253-W280 HydrophobicContact CE1-CZ3 4.13Å; F253-W280 AromaticContact CZ-CE3 3.81Å; F253-W280 HydrophobicContact CZ-CE3 3.81Å; F253-W280 AromaticContact CZ-CZ3 3.79Å; F253-W280 HydrophobicContact CZ-CZ3 3.79Å; F253-M281 HydrophobicContact CE1-CG 4.13Å; F253-M281 HydrophobicContact CE2-CG 4.11Å; F253-M281 HydrophobicContact CE2-SD 4.11Å; F253-M281 HydrophobicContact CZ-CG 3.8Å; F253-M281 HydrophobicContact CZ-SD 3.82Å
254	D	98.9	Very high	98.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.096	C	C	.	.			trans	-99.3	139.5	161.4	-79.9	20.9	0	0	0	108	D170 M184 R189 A256 D257 V272 T273 H303	D170-D254 CarbonylContact O-C 3.4Å; D170-D254 WeakPolarHBondContact O-CA 3.42Å; M184-D254 VanDerWaalsContact CE-OD1 3.31Å; M184-D254 WeakPolarHBondContact CE-OD1 3.36Å; R189-D254 IonicContact NH1-OD2 2.68Å; R189-D254 PolarHBondContact NH1-OD2 3.19Å; D254-A256 PolarHBondContact O-N 2.83Å; D254-D257 PolarHBondContact O-N 2.9Å; D254-D257 VanDerWaalsContact O-N 3.16Å; D254-V272 HydrophobicContact CB-CG2 3.86Å; D254-T273 PolarHBondContact N-OG1 3.46Å; D254-H303 IonicContact OD2-CD2 2.7Å; D254-H303 IonicContact OD2-CE1 2.73Å; D254-H303 IonicContact OD2-NE2 2.81Å; D254-H303 PolarHBondContact OD2-NE2 2.91Å
255	A	98.9	Very high	98.9	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.017	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-60.2	-28.9	179.9	0	0	0	0	0	112.6	R169 D170 I173 A182 D257 F258	R169-A255 CarbonylContact O-C 3.57Å; R169-A255 VanDerWaalsContact O-CB 3.23Å; R169-A255 WeakPolarHBondContact O-CB 3.23Å; D170-A255 PolarHBondContact O-N 2.95Å; I173-A255 HydrophobicContact CB-CB 3.94Å; I173-A255 HydrophobicContact CG2-CB 4.19Å; A182-A255 HydrophobicContact CB-CB 4.02Å; A255-D257 PolarHBondContact O-N 2.72Å; A255-F258 WeakPolarHBondContact O-CB 3.14Å; A255-F258 PolarHBondContact O-N 2.75Å
256	A	98.9	Very high	98.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-71.8	-5.8	179.5	0	0	0	0	0	114.5	R169 D254 H303 I304	R169-A256 HydrophobicContact CB-CB 4.48Å; R169-A256 HydrophobicContact CG-CB 3.92Å; R169-A256 PolarHBondContact O-N 3.31Å; D254-A256 PolarHBondContact O-N 2.83Å; A256-H303 HydrophobicContact CB-CB 3.84Å; A256-H303 WeakPolarHBondContact O-CA 3.26Å; A256-I304 WeakPolarHBondContact O-CG2 3.39Å; A256-I304 PolarHBondContact O-N 3.1Å
257	D	98.9	Very high	98.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-79.3	-6.5	166.1	-83.6	-48.3	0	0	0	113.3	D254 A255 A267 Q268 S270 V272 T273 H303	D254-D257 PolarHBondContact O-N 2.9Å; D254-D257 VanDerWaalsContact O-N 3.16Å; A255-D257 PolarHBondContact O-N 2.72Å; D257-A267 VanDerWaalsContact O-CA 3.29Å; D257-A267 WeakPolarHBondContact O-CA 2.96Å; D257-Q268 HydrophobicContact CB-CG 4.28Å; D257-Q268 PolarHBondContact O-N 3.43Å; D257-Q268 WeakPolarHBondContact OD1-CG 3.41Å; D257-Q268 PolarHBondContact OD1-OE1 3.22Å; D257-S270 WeakPolarHBondContact OD1-CB 3.38Å; D257-S270 PolarHBondContact OD1-OG 3.43Å; D257-S270 WeakPolarHBondContact OD2-CB 3.26Å; D257-S270 PolarHBondContact OD2-OG 3.36Å; D257-V272 WeakPolarHBondContact OD2-CG2 3.46Å; D257-T273 HydrophobicContact CB-CG2 4.14Å; D257-T273 WeakPolarHBondContact CB-OG1 3.33Å; D257-T273 WeakPolarHBondContact OD2-CB 3.45Å; D257-T273 PolarHBondContact OD2-OG1 2.9Å; D257-H303 VanDerWaalsContact OD1-CA 3.22Å; D257-H303 WeakPolarHBondContact OD1-CA 3.21Å; D257-H303 PolarHBondContact OD1-N 2.68Å
258	F	98.9	Very high	98.9	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.018	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.6	177.4	-59.2	-101.4	0	0	0	110.3	I173 F253 A255 I265 F266 A267 T273 I278 M281 V291	I173-F258 HydrophobicContact CD1-CB 3.81Å; F253-F258 HydrophobicContact CB-CE2 4.03Å; F253-F258 HydrophobicContact CD2-CD2 4.34Å; F253-F258 AromaticContact CD2-CE2 3.58Å; F253-F258 HydrophobicContact CD2-CE2 3.58Å; F253-F258 HydrophobicContact CD2-CZ 4.29Å; F253-F258 HydrophobicContact CE2-CE2 4.25Å; F253-F258 AromaticContact CG-CE2 3.98Å; F253-F258 HydrophobicContact CG-CE2 3.98Å; F253-F258 HydrophobicContact CG-CZ 4.42Å; A255-F258 WeakPolarHBondContact O-CB 3.14Å; A255-F258 PolarHBondContact O-N 2.75Å; F258-I265 HydrophobicContact CB-CG2 4.02Å; F258-I265 HydrophobicContact CD1-CG2 3.99Å; F258-F266 CarbonylContact C-O 3.6Å; F258-F266 VanDerWaalsContact CA-O 3.3Å; F258-F266 WeakPolarHBondContact CA-O 3.44Å; F258-A267 HydrophobicContact CD1-CB 3.57Å; F258-A267 HydrophobicContact CE1-CB 3.52Å; F258-A267 HydrophobicContact CG-CB 4.28Å; F258-A267 HydrophobicContact CZ-CB 4.18Å; F258-T273 HydrophobicContact CE2-CG2 4.17Å; F258-T273 HydrophobicContact CZ-CG2 4.32Å; F258-I278 HydrophobicContact CZ-CG1 4.16Å; F258-M281 HydrophobicContact CD1-CE 4.3Å; F258-M281 HydrophobicContact CE1-CB 3.82Å; F258-M281 HydrophobicContact CE1-CE 4.4Å; F258-M281 HydrophobicContact CE1-CG 3.75Å; F258-M281 HydrophobicContact CE2-CG 4.35Å; F258-M281 HydrophobicContact CZ-CB 4.12Å; F258-M281 HydrophobicContact CZ-CG 3.65Å; F258-V291 HydrophobicContact CD1-CG1 4.43Å; F258-V291 HydrophobicContact CE1-CG1 4.12Å
259	I	98.9	Very high	98.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138	172.6	-165.4	160.6	0	0	0	110.6	E71 I265 F266 I304 F308 I310	E71-I259 HydrophobicContact CG-CD1 4.27Å; E71-I259 HydrophobicContact CG-CG1 3.73Å; I259-I265 WeakPolarHBondContact O-CA 3.48Å; I259-F266 HydrophobicContact CG2-CB 3.99Å; I259-F266 PolarHBondContact N-O 3.35Å; I259-F266 PolarHBondContact O-N 2.97Å; I259-I304 HydrophobicContact CB-CG2 3.85Å; I259-I304 HydrophobicContact CG2-CD1 4.44Å; I259-I304 HydrophobicContact CG2-CG2 3.97Å; I259-F308 WeakPolarHBondContact CD1-O 3.21Å; I259-I310 HydrophobicContact CD1-CB 4.27Å; I259-I310 HydrophobicContact CD1-CG1 4.07Å; I259-I310 HydrophobicContact CG1-CB 4.49Å; I259-I310 HydrophobicContact CG1-CD1 4.23Å; I259-I310 HydrophobicContact CG1-CG1 4.22Å; I259-I310 HydrophobicContact CG2-CD1 3.8Å; I259-I310 HydrophobicContact CG2-CG1 4.23Å
260	R	98.9	Very high	98.9	Very high	3 Å²	3	9.2 Å²	9.2	1%	0.011	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.2	-166.6	-56	165.6	-64.2	140.9	8.1	112.4	S68 N70 E71 I173 V174 I265 D411	S68-R260 VanDerWaalsContact C-NH1 3.29Å; S68-R260 VanDerWaalsContact CB-NH1 3.31Å; S68-R260 PolarHBondContact O-NH1 3.05Å; S68-R260 VanDerWaalsContact O-NH1 3.12Å; S68-R260 PolarHBondContact OG-NH1 2.95Å; S68-R260 PolarHBondContact OG-NH2 3.45Å; N70-R260 PolarHBondContact O-NH2 2.99Å; N70-R260 VanDerWaalsContact O-NH2 3.09Å; E71-R260 VanDerWaalsContact OE1-CB 3.32Å; E71-R260 WeakPolarHBondContact OE1-CB 3.34Å; E71-R260 IonicContact OE1-CZ 3.97Å; E71-R260 PolarHBondContact OE1-N 3.13Å; E71-R260 IonicContact OE1-NE 2.86Å; E71-R260 PolarHBondContact OE1-NE 3.11Å; E71-R260 IonicContact OE1-NH2 2.84Å; E71-R260 PolarHBondContact OE1-NH2 2.77Å; E71-R260 IonicContact OE2-CZ 3.65Å; E71-R260 IonicContact OE2-NE 3.89Å; E71-R260 IonicContact OE2-NH2 2.79Å; E71-R260 PolarHBondContact OE2-NH2 3.43Å; I173-R260 HydrophobicContact CD1-CG 4.09Å; V174-R260 WeakPolarHBondContact O-CD 3.48Å; V174-R260 PolarHBondContact O-NE 2.95Å; V174-R260 PolarHBondContact O-NH1 3.07Å; R260-I265 HydrophobicContact CG-CG1 4.29Å; R260-D411 IonicContact CZ-OD2 3.58Å; R260-D411 IonicContact NH1-OD2 3.47Å; R260-D411 VanDerWaalsContact NH2-CG 3.29Å; R260-D411 IonicContact NH2-OD1 3.67Å; R260-D411 PolarHBondContact NH2-OD1 3.25Å; R260-D411 VanDerWaalsContact NH2-OD1 3.17Å; R260-D411 IonicContact NH2-OD2 2.77Å; R260-D411 PolarHBondContact NH2-OD2 3.28Å
261	A	98.8	Very high	98.9	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.008	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	65.9	171.3	0	0	0	0	0	109.3	W72 K263 D264 F266 I310 W335 Y421	W72-A261 HydrophobicContact CH2-CB 3.85Å; W72-A261 HydrophobicContact CZ3-CB 4.29Å; A261-K263 PolarHBondContact O-N 2.95Å; A261-D264 CarbonylContact C-O 3.57Å; A261-D264 WeakPolarHBondContact CA-O 3.07Å; A261-D264 PolarHBondContact N-O 3.4Å; A261-D264 PolarHBondContact O-N 2.72Å; A261-F266 HydrophobicContact CB-CE2 4.03Å; A261-I310 HydrophobicContact CB-CD1 4.13Å; A261-W335 HydrophobicContact CB-CH2 3.97Å; A261-W335 HydrophobicContact CB-CZ2 4.41Å; A261-Y421 HydrophobicContact CB-CD2 4.41Å; A261-Y421 WeakPolarHBondContact O-CD2 3.48Å
262	G	98.6	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-117.9	-179.7	0	0	0	0	0	111.6	Y69 D264 Y289 L418 Q419	Y69-G262 VanDerWaalsContact O-CA 3.25Å; Y69-G262 WeakPolarHBondContact O-CA 3.36Å; Y69-G262 PolarHBondContact O-N 3.16Å; G262-D264 PolarHBondContact O-N 3.39Å; G262-Y289 VanDerWaalsContact O-CD1 3.31Å; G262-Y289 WeakPolarHBondContact O-CD1 3.44Å; G262-Y289 WeakPolarHBondContact O-CE1 3.2Å; G262-L418 VanDerWaalsContact C-CD1 3.48Å; G262-Q419 CarbonylContact C-O 3.57Å; G262-Q419 WeakPolarHBondContact CA-O 3.42Å
263	K	98.8	Very high	98.9	Very high	85 Å²	85	6.4 Å²	6.4	37%	0.37	3%	0.028	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.9	178	-71.1	-172.6	176.5	-171.2	0	113.6	A261 Y289 R290 L418 Q419	A261-K263 PolarHBondContact O-N 2.95Å; K263-Y289 CarbonylContact O-C 3.54Å; K263-Y289 WeakPolarHBondContact O-CA 3.41Å; K263-R290 PolarHBondContact O-N 3.08Å; K263-L418 HydrophobicContact CB-CD1 4.48Å; K263-L418 HydrophobicContact CG-CD1 3.73Å; K263-L418 HydrophobicContact CG-CD2 4.18Å; K263-L418 HydrophobicContact CG-CG 3.8Å; K263-Q419 PolarHBondContact N-O 3.09Å
264	D	98.9	Very high	98.9	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.6	-178	-59.7	-72.6	0	0	0	110.5	A261 G262 F266 R290 H292 L422	A261-D264 CarbonylContact C-O 3.57Å; A261-D264 WeakPolarHBondContact CA-O 3.07Å; A261-D264 PolarHBondContact N-O 3.4Å; A261-D264 PolarHBondContact O-N 2.72Å; G262-D264 PolarHBondContact O-N 3.39Å; D264-F266 HydrophobicContact CB-CE2 4.1Å; D264-F266 HydrophobicContact CB-CZ 4.12Å; D264-R290 IonicContact OD1-CZ 3.16Å; D264-R290 IonicContact OD1-NE 2.73Å; D264-R290 PolarHBondContact OD1-NE 3.07Å; D264-R290 IonicContact OD1-NH2 3.05Å; D264-R290 PolarHBondContact OD1-NH2 3.2Å; D264-R290 IonicContact OD2-CZ 3.63Å; D264-R290 IonicContact OD2-NE 3.86Å; D264-R290 IonicContact OD2-NH2 2.7Å; D264-R290 PolarHBondContact OD2-NH2 3.22Å; D264-H292 IonicContact OD1-CD2 3.86Å; D264-H292 IonicContact OD1-CE1 2.71Å; D264-H292 IonicContact OD1-NE2 3.31Å; D264-H292 PolarHBondContact OD1-NE2 3.3Å; D264-L422 HydrophobicContact CB-CD2 4.47Å
265	I	98.9	Very high	98.9	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.4	175.3	-58.3	176	0	0	0	107	V175 F258 I259 R260 L285 Y289 R290 V291 H292	V175-I265 HydrophobicContact CG1-CD1 4.15Å; V175-I265 HydrophobicContact CG2-CD1 4.1Å; F258-I265 HydrophobicContact CB-CG2 4.02Å; F258-I265 HydrophobicContact CD1-CG2 3.99Å; I259-I265 WeakPolarHBondContact O-CA 3.48Å; R260-I265 HydrophobicContact CG-CG1 4.29Å; I265-L285 HydrophobicContact CD1-CD1 3.62Å; I265-Y289 HydrophobicContact CD1-CD1 4.22Å; I265-Y289 HydrophobicContact CD1-CG 4.47Å; I265-R290 PolarHBondContact N-O 2.98Å; I265-V291 HydrophobicContact CB-CG2 4.36Å; I265-V291 CarbonylContact O-C 3.6Å; I265-V291 WeakPolarHBondContact O-CA 3.44Å; I265-H292 PolarHBondContact O-N 2.94Å
266	F	98.9	Very high	98.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.4	179.6	-57.9	-87.5	0	0	0	109.5	F258 I259 A261 D264 H292 I294 I310 F330 W335 L422	F258-F266 CarbonylContact C-O 3.6Å; F258-F266 VanDerWaalsContact CA-O 3.3Å; F258-F266 WeakPolarHBondContact CA-O 3.44Å; I259-F266 HydrophobicContact CG2-CB 3.99Å; I259-F266 PolarHBondContact N-O 3.35Å; I259-F266 PolarHBondContact O-N 2.97Å; A261-F266 HydrophobicContact CB-CE2 4.03Å; D264-F266 HydrophobicContact CB-CE2 4.1Å; D264-F266 HydrophobicContact CB-CZ 4.12Å; F266-H292 CarbonylContact C-O 3.43Å; F266-H292 WeakPolarHBondContact CA-O 3.37Å; F266-H292 HydrophobicContact CD1-CB 3.87Å; F266-H292 HydrophobicContact CE1-CB 4.17Å; F266-I294 HydrophobicContact CB-CD1 3.85Å; F266-I294 HydrophobicContact CB-CG1 4.26Å; F266-I294 HydrophobicContact CD1-CD1 4.3Å; F266-I294 HydrophobicContact CD1-CG2 4.09Å; F266-I294 HydrophobicContact CG-CD1 4.35Å; F266-I310 HydrophobicContact CD2-CD1 3.76Å; F266-I310 HydrophobicContact CE2-CD1 4.05Å; F266-F330 HydrophobicContact CD1-CE1 4.01Å; F266-F330 AromaticContact CD1-CZ 3.69Å; F266-F330 HydrophobicContact CD1-CZ 3.69Å; F266-F330 AromaticContact CE1-CE1 3.45Å; F266-F330 HydrophobicContact CE1-CE1 3.45Å; F266-F330 VanDerWaalsContact CE1-CE1 3.45Å; F266-F330 AromaticContact CE1-CZ 3.49Å; F266-F330 HydrophobicContact CE1-CZ 3.49Å; F266-F330 VanDerWaalsContact CE1-CZ 3.49Å; F266-F330 HydrophobicContact CE2-CE1 4.06Å; F266-F330 HydrophobicContact CG-CZ 4.37Å; F266-F330 HydrophobicContact CZ-CD1 4.47Å; F266-F330 AromaticContact CZ-CE1 3.48Å; F266-F330 HydrophobicContact CZ-CE1 3.48Å; F266-F330 VanDerWaalsContact CZ-CE1 3.48Å; F266-F330 HydrophobicContact CZ-CZ 4.02Å; F266-W335 HydrophobicContact CE2-CH2 4.06Å; F266-W335 HydrophobicContact CZ-CH2 4.42Å; F266-L422 HydrophobicContact CE1-CD2 4.06Å; F266-L422 HydrophobicContact CZ-CD1 4.1Å; F266-L422 HydrophobicContact CZ-CD2 3.83Å; F266-L422 HydrophobicContact CZ-CG 4.49Å
267	A	98.9	Very high	98.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.7	178.7	0	0	0	0	0	110.4	D257 F258 I278 V291 H292 I293 I294	D257-A267 VanDerWaalsContact O-CA 3.29Å; D257-A267 WeakPolarHBondContact O-CA 2.96Å; F258-A267 HydrophobicContact CD1-CB 3.57Å; F258-A267 HydrophobicContact CE1-CB 3.52Å; F258-A267 HydrophobicContact CG-CB 4.28Å; F258-A267 HydrophobicContact CZ-CB 4.18Å; A267-I278 HydrophobicContact CB-CD1 4.25Å; A267-I278 HydrophobicContact CB-CG1 4.19Å; A267-I278 HydrophobicContact CB-CG2 4.15Å; A267-V291 HydrophobicContact CB-CG1 4.15Å; A267-H292 PolarHBondContact N-O 3.05Å; A267-I293 WeakPolarHBondContact O-CA 3.37Å; A267-I294 PolarHBondContact O-N 3.26Å
268	Q	98.8	Very high	98.9	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.014	7%	0.068	C	C	.	.			trans	-113.2	143.6	163.7	65.9	168.2	-132.5	0	0	111.5	D257 S270 F296 I304	D257-Q268 HydrophobicContact CB-CG 4.28Å; D257-Q268 PolarHBondContact O-N 3.43Å; D257-Q268 WeakPolarHBondContact OD1-CG 3.41Å; D257-Q268 PolarHBondContact OD1-OE1 3.22Å; Q268-S270 PolarHBondContact O-N 3.31Å; Q268-F296 HydrophobicContact CB-CE2 4.26Å; Q268-F296 VanDerWaalsContact NE2-CD2 3.35Å; Q268-F296 VanDerWaalsContact NE2-CE2 3.34Å; Q268-I304 HydrophobicContact CB-CD1 4.21Å; Q268-I304 HydrophobicContact CG-CB 4.24Å; Q268-I304 HydrophobicContact CG-CD1 4.32Å; Q268-I304 HydrophobicContact CG-CG1 4.34Å
269	R	98.8	Very high	98.9	Very high	26 Å²	26	17.7 Å²	17.7	10%	0.098	8%	0.078	C	C	.	.			trans	-73.6	114.7	161.6	-164.2	-63.8	-160.3	-141.1	-0.7	107	F244 T246 T273 Y275 I278	F244-R269 VanDerWaalsContact CD2-NH1 3.34Å; F244-R269 VanDerWaalsContact CD2-NH2 3.31Å; F244-R269 VanDerWaalsContact CE2-CD 3.44Å; T246-R269 PolarHBondContact O-NH2 3.28Å; T246-R269 PolarHBondContact OG1-NH1 2.75Å; R269-T273 WeakPolarHBondContact CA-O 3.24Å; R269-Y275 HydrophobicContact CB-CD1 4.42Å; R269-Y275 HydrophobicContact CB-CE1 3.89Å; R269-Y275 HydrophobicContact CG-CD1 4.12Å; R269-Y275 HydrophobicContact CG-CD2 4.18Å; R269-Y275 HydrophobicContact CG-CE1 3.83Å; R269-Y275 HydrophobicContact CG-CE2 3.91Å; R269-Y275 HydrophobicContact CG-CG 4.29Å; R269-I278 HydrophobicContact CB-CD1 4.31Å
270	S	98.8	Very high	98.9	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	9%	0.087	C	C	.	.			trans	-122.3	-176.4	-176.4	81.8	0	0	0	0	110.5	D257 Q268 V272 T273	D257-S270 WeakPolarHBondContact OD1-CB 3.38Å; D257-S270 PolarHBondContact OD1-OG 3.43Å; D257-S270 WeakPolarHBondContact OD2-CB 3.26Å; D257-S270 PolarHBondContact OD2-OG 3.36Å; Q268-S270 PolarHBondContact O-N 3.31Å; S270-V272 PolarHBondContact O-N 3.29Å; S270-V272 WeakPolarHBondContact OG-CG2 3.47Å; S270-V272 PolarHBondContact OG-N 2.92Å; S270-V272 VanDerWaalsContact OG-N 3.09Å; S270-T273 PolarHBondContact N-O 3.17Å; S270-T273 PolarHBondContact OG-N 3.31Å
271	Q	98.8	Very high	98.9	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.014	9%	0.086	C	C	.	.	S	Bend	trans	-63.8	-21.3	173.7	-58.8	-66.4	-23.9	0	0	112.9	N98 Y227 F244 V245 T246 P301	N98-Q271 WeakPolarHBondContact OD1-CB 3.48Å; Y227-Q271 PolarHBondContact OH-NE2 3.49Å; F244-Q271 HydrophobicContact CD1-CG 4.38Å; V245-Q271 HydrophobicContact CG1-CB 4.04Å; T246-Q271 WeakPolarHBondContact CB-O 3.38Å; T246-Q271 WeakPolarHBondContact CG2-O 3.37Å; T246-Q271 PolarHBondContact OG1-O 3.23Å; Q271-P301 WeakPolarHBondContact CB-O 3.48Å; Q271-P301 HydrophobicContact CG-CB 3.85Å; Q271-P301 WeakPolarHBondContact CG-O 3.36Å; Q271-P301 PolarHBondContact N-O 3.26Å
272	V	98.9	Very high	98.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	11%	0.105	C	C	.	.	S	Bend	trans	-112.2	-13.4	-178	-61.9	0	0	0	0	113.7	A185 C252 F253 D254 D257 S270 M302	A185-V272 HydrophobicContact CB-CB 3.76Å; A185-V272 HydrophobicContact CB-CG1 4.13Å; A185-V272 VanDerWaalsContact CB-O 3.28Å; A185-V272 WeakPolarHBondContact CB-O 3.5Å; C252-V272 CarbonylContact C-O 3.54Å; C252-V272 PolarHBondContact SG-O 3.18Å; F253-V272 VanDerWaalsContact CA-O 3.25Å; F253-V272 WeakPolarHBondContact CA-O 3.46Å; F253-V272 PolarHBondContact N-O 3.31Å; D254-V272 HydrophobicContact CB-CG2 3.86Å; D257-V272 WeakPolarHBondContact OD2-CG2 3.46Å; S270-V272 PolarHBondContact O-N 3.29Å; S270-V272 WeakPolarHBondContact OG-CG2 3.47Å; S270-V272 PolarHBondContact OG-N 2.92Å; S270-V272 VanDerWaalsContact OG-N 3.09Å; V272-M302 HydrophobicContact CG1-CB 4.34Å; V272-M302 HydrophobicContact CG2-CB 3.56Å
273	T	98.9	Very high	98.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	14%	0.135	C	C	.	.			trans	-118.3	109.8	179.8	-63.7	0	0	0	0	110.6	C252 F253 D254 D257 F258 R269 S270 I278	C252-T273 WeakPolarHBondContact O-CA 3.39Å; F253-T273 VanDerWaalsContact CA-OG1 3.32Å; F253-T273 WeakPolarHBondContact CA-OG1 3.38Å; F253-T273 HydrophobicContact CB-CG2 3.64Å; F253-T273 WeakPolarHBondContact CB-OG1 3.33Å; D254-T273 PolarHBondContact N-OG1 3.46Å; D257-T273 HydrophobicContact CB-CG2 4.14Å; D257-T273 WeakPolarHBondContact CB-OG1 3.33Å; D257-T273 WeakPolarHBondContact OD2-CB 3.45Å; D257-T273 PolarHBondContact OD2-OG1 2.9Å; F258-T273 HydrophobicContact CE2-CG2 4.17Å; F258-T273 HydrophobicContact CZ-CG2 4.32Å; R269-T273 WeakPolarHBondContact CA-O 3.24Å; S270-T273 PolarHBondContact N-O 3.17Å; S270-T273 PolarHBondContact OG-N 3.31Å; T273-I278 HydrophobicContact CG2-CD1 4.02Å; T273-I278 HydrophobicContact CG2-CG1 3.59Å
274	N	98.9	Very high	98.9	Very high	0 Å²	0	32 Å²	32	0%	0	13%	0.132	C	C	.	.			trans	-95.8	170.4	-179.6	75.2	-0.3	0	0	0	112	T247 E248 E250 C252 L276 G277 I278	T247-N274 PolarHBondContact O-ND2 3.35Å; E248-N274 WeakPolarHBondContact OE1-CB 3.44Å; E250-N274 PolarHBondContact O-ND2 3.47Å; C252-N274 PolarHBondContact N-OD1 2.84Å; C252-N274 PolarHBondContact O-N 2.8Å; C252-N274 VanDerWaalsContact O-N 3.08Å; C252-N274 PolarHBondContact O-OD1 3.17Å; N274-L276 VanDerWaalsContact C-N 3.31Å; N274-L276 PolarHBondContact O-N 3.46Å; N274-L276 PolarHBondContact OD1-N 3.17Å; N274-G277 PolarHBondContact O-N 3.17Å; N274-G277 PolarHBondContact OD1-N 2.92Å; N274-I278 WeakPolarHBondContact O-CG1 3.47Å; N274-I278 PolarHBondContact O-N 3.37Å; N274-I278 VanDerWaalsContact O-N 3.12Å
275	Y	98.9	Very high	98.9	Very high	122 Å²	122	32.4 Å²	32.4	48%	0.478	13%	0.134	S	C	.	.	H	α-helix	trans	-65.6	-35.1	-177.2	-69.1	-63.7	0	0	0	112.2	E248 R269 G277 I278 E279 I293	E248-Y275 VanDerWaalsContact OE1-CD2 3.27Å; E248-Y275 WeakPolarHBondContact OE1-CD2 3.23Å; E248-Y275 PolarHBondContact OE1-N 3.46Å; E248-Y275 PolarHBondContact OE2-N 3.39Å; E248-Y275 VanDerWaalsContact OE2-N 3.12Å; R269-Y275 HydrophobicContact CB-CD1 4.42Å; R269-Y275 HydrophobicContact CB-CE1 3.89Å; R269-Y275 HydrophobicContact CG-CD1 4.12Å; R269-Y275 HydrophobicContact CG-CD2 4.18Å; R269-Y275 HydrophobicContact CG-CE1 3.83Å; R269-Y275 HydrophobicContact CG-CE2 3.91Å; R269-Y275 HydrophobicContact CG-CG 4.29Å; Y275-G277 VanDerWaalsContact C-N 3.32Å; Y275-G277 PolarHBondContact O-N 3.22Å; Y275-I278 PolarHBondContact O-N 3.19Å; Y275-E279 VanDerWaalsContact O-CB 3.25Å; Y275-E279 WeakPolarHBondContact O-CB 3.26Å; Y275-E279 PolarHBondContact O-N 2.85Å; Y275-I293 HydrophobicContact CD1-CD1 3.92Å; Y275-I293 HydrophobicContact CE1-CD1 4.08Å
276	L	98.9	Very high	98.8	Very high	68 Å²	68	34.7 Å²	34.7	36%	0.356	15%	0.154	S	C	.	.	H	α-helix	trans	-60.7	-38.7	173.2	-75.4	-177.6	0	0	0	112.9	E248 P251 N274 W280	E248-L276 HydrophobicContact CB-CD1 4.37Å; E248-L276 HydrophobicContact CB-CG 4.49Å; E248-L276 WeakPolarHBondContact O-CD1 3.42Å; E248-L276 WeakPolarHBondContact OE2-CG 3.44Å; E248-L276 PolarHBondContact OE2-N 2.71Å; P251-L276 HydrophobicContact CB-CB 4.31Å; P251-L276 HydrophobicContact CG-CB 4.2Å; N274-L276 VanDerWaalsContact C-N 3.31Å; N274-L276 PolarHBondContact O-N 3.46Å; N274-L276 PolarHBondContact OD1-N 3.17Å; L276-W280 WeakPolarHBondContact O-CB 3.24Å; L276-W280 PolarHBondContact O-N 3.14Å
277	G	98.9	Very high	98.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-46.4	175	0	0	0	0	0	112.5	N274 Y275 E279 W280 M281	N274-G277 PolarHBondContact O-N 3.17Å; N274-G277 PolarHBondContact OD1-N 2.92Å; Y275-G277 VanDerWaalsContact C-N 3.32Å; Y275-G277 PolarHBondContact O-N 3.22Å; G277-E279 PolarHBondContact O-N 3.31Å; G277-W280 WeakPolarHBondContact O-CB 3.38Å; G277-W280 PolarHBondContact O-N 3.22Å; G277-M281 PolarHBondContact O-N 2.83Å; G277-M281 VanDerWaalsContact O-N 3.14Å
278	I	98.9	Very high	98.8	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-43	175.9	-61	170.8	0	0	0	111	F258 A267 R269 T273 N274 Y275 W280 M281 R282 V291 I293	F258-I278 HydrophobicContact CZ-CG1 4.16Å; A267-I278 HydrophobicContact CB-CD1 4.25Å; A267-I278 HydrophobicContact CB-CG1 4.19Å; A267-I278 HydrophobicContact CB-CG2 4.15Å; R269-I278 HydrophobicContact CB-CD1 4.31Å; T273-I278 HydrophobicContact CG2-CD1 4.02Å; T273-I278 HydrophobicContact CG2-CG1 3.59Å; N274-I278 WeakPolarHBondContact O-CG1 3.47Å; N274-I278 PolarHBondContact O-N 3.37Å; N274-I278 VanDerWaalsContact O-N 3.12Å; Y275-I278 PolarHBondContact O-N 3.19Å; I278-W280 VanDerWaalsContact C-N 3.33Å; I278-W280 PolarHBondContact O-N 3.18Å; I278-M281 WeakPolarHBondContact O-CB 3.26Å; I278-M281 PolarHBondContact O-N 3.37Å; I278-R282 WeakPolarHBondContact O-CB 3.31Å; I278-R282 PolarHBondContact O-N 3.06Å; I278-V291 HydrophobicContact CG2-CG1 3.89Å; I278-I293 HydrophobicContact CD1-CD1 4.11Å; I278-I293 HydrophobicContact CD1-CG1 4.25Å; I278-I293 HydrophobicContact CG2-CD1 3.9Å; I278-I293 HydrophobicContact CG2-CG1 3.81Å
279	E	98.9	Very high	98.8	Very high	50 Å²	50	45.8 Å²	45.8	23%	0.234	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-37.1	177.8	172.4	56.3	-160.9	0	0	112	Y275 G277 R282 R283	Y275-E279 VanDerWaalsContact O-CB 3.25Å; Y275-E279 WeakPolarHBondContact O-CB 3.26Å; Y275-E279 PolarHBondContact O-N 2.85Å; G277-E279 PolarHBondContact O-N 3.31Å; E279-R282 PolarHBondContact O-N 3.41Å; E279-R282 IonicContact OE1-CZ 3.66Å; E279-R282 IonicContact OE1-NE 3.66Å; E279-R282 IonicContact OE1-NH2 2.7Å; E279-R282 PolarHBondContact OE1-NH2 3.35Å; E279-R282 IonicContact OE2-CZ 3.25Å; E279-R282 VanDerWaalsContact OE2-CZ 3.25Å; E279-R282 IonicContact OE2-NE 2.69Å; E279-R282 PolarHBondContact OE2-NE 3.3Å; E279-R282 IonicContact OE2-NH2 2.97Å; E279-R282 PolarHBondContact OE2-NH2 2.92Å; E279-R283 WeakPolarHBondContact O-CB 3.09Å; E279-R283 PolarHBondContact O-N 3.02Å; E279-R283 IonicContact OE1-CZ 3.81Å; E279-R283 IonicContact OE1-NE 2.72Å; E279-R283 PolarHBondContact OE1-NE 2.8Å; E279-R283 IonicContact OE1-NH2 3.4Å; E279-R283 PolarHBondContact OE1-NH2 3.35Å
280	W	98.9	Very high	98.8	Very high	47 Å²	47	49.5 Å²	49.5	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-49.4	172.7	-179.2	87.1	0	0	0	110.9	I180 T211 A213 P214 F253 L276 G277 I278 R282 R283 H284	I180-W280 HydrophobicContact CG2-CH2 4.18Å; I180-W280 HydrophobicContact CG2-CZ3 4.17Å; T211-W280 HydrophobicContact CG2-CH2 3.88Å; T211-W280 HydrophobicContact CG2-CZ2 4.25Å; A213-W280 HydrophobicContact CB-CD2 4.33Å; A213-W280 HydrophobicContact CB-CE3 3.94Å; A213-W280 HydrophobicContact CB-CH2 3.59Å; A213-W280 HydrophobicContact CB-CZ2 3.98Å; A213-W280 HydrophobicContact CB-CZ3 3.56Å; P214-W280 VanDerWaalsContact CD-NE1 3.25Å; F253-W280 AromaticContact CE1-CE3 3.68Å; F253-W280 HydrophobicContact CE1-CE3 3.68Å; F253-W280 HydrophobicContact CE1-CZ3 4.13Å; F253-W280 AromaticContact CZ-CE3 3.81Å; F253-W280 HydrophobicContact CZ-CE3 3.81Å; F253-W280 AromaticContact CZ-CZ3 3.79Å; F253-W280 HydrophobicContact CZ-CZ3 3.79Å; L276-W280 WeakPolarHBondContact O-CB 3.24Å; L276-W280 PolarHBondContact O-N 3.14Å; G277-W280 WeakPolarHBondContact O-CB 3.38Å; G277-W280 PolarHBondContact O-N 3.22Å; I278-W280 VanDerWaalsContact C-N 3.33Å; I278-W280 PolarHBondContact O-N 3.18Å; W280-R282 PolarHBondContact O-N 3.26Å; W280-R283 PolarHBondContact O-N 2.98Å; W280-H284 HydrophobicContact CH2-CB 4.48Å; W280-H284 HydrophobicContact CZ2-CB 4.45Å; W280-H284 WeakPolarHBondContact O-CB 3.49Å; W280-H284 PolarHBondContact O-N 2.86Å
281	M	98.9	Very high	98.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-46.6	175.9	-78.5	-68.1	-75.2	0	0	111.9	I173 I180 F253 F258 G277 I278 R283 H284 L285	I173-M281 HydrophobicContact CG2-CE 4.2Å; I180-M281 HydrophobicContact CD1-CE 4.37Å; I180-M281 HydrophobicContact CD1-SD 4.37Å; F253-M281 HydrophobicContact CE1-CG 4.13Å; F253-M281 HydrophobicContact CE2-CG 4.11Å; F253-M281 HydrophobicContact CE2-SD 4.11Å; F253-M281 HydrophobicContact CZ-CG 3.8Å; F253-M281 HydrophobicContact CZ-SD 3.82Å; F258-M281 HydrophobicContact CD1-CE 4.3Å; F258-M281 HydrophobicContact CE1-CB 3.82Å; F258-M281 HydrophobicContact CE1-CE 4.4Å; F258-M281 HydrophobicContact CE1-CG 3.75Å; F258-M281 HydrophobicContact CE2-CG 4.35Å; F258-M281 HydrophobicContact CZ-CB 4.12Å; F258-M281 HydrophobicContact CZ-CG 3.65Å; G277-M281 PolarHBondContact O-N 2.83Å; G277-M281 VanDerWaalsContact O-N 3.14Å; I278-M281 WeakPolarHBondContact O-CB 3.26Å; I278-M281 PolarHBondContact O-N 3.37Å; M281-R283 PolarHBondContact O-N 2.92Å; M281-H284 PolarHBondContact O-N 3.19Å; M281-L285 HydrophobicContact CE-CD1 3.81Å; M281-L285 WeakPolarHBondContact O-CB 3.39Å; M281-L285 WeakPolarHBondContact O-CG 3.26Å; M281-L285 PolarHBondContact O-N 3.22Å
282	R	98.9	Very high	98.8	Very high	107 Å²	107	52.4 Å²	52.4	40%	0.404	25%	0.246	S	C	.	.	H	α-helix	trans	-59.9	-44.6	179.4	-169.4	-166.1	67.3	74.5	2.2	112	I278 E279 W280 A286 V291	I278-R282 WeakPolarHBondContact O-CB 3.31Å; I278-R282 PolarHBondContact O-N 3.06Å; E279-R282 PolarHBondContact O-N 3.41Å; E279-R282 IonicContact OE1-CZ 3.66Å; E279-R282 IonicContact OE1-NE 3.66Å; E279-R282 IonicContact OE1-NH2 2.7Å; E279-R282 PolarHBondContact OE1-NH2 3.35Å; E279-R282 IonicContact OE2-CZ 3.25Å; E279-R282 VanDerWaalsContact OE2-CZ 3.25Å; E279-R282 IonicContact OE2-NE 2.69Å; E279-R282 PolarHBondContact OE2-NE 3.3Å; E279-R282 IonicContact OE2-NH2 2.97Å; E279-R282 PolarHBondContact OE2-NH2 2.92Å; W280-R282 PolarHBondContact O-N 3.26Å; R282-A286 WeakPolarHBondContact O-CB 3.49Å; R282-A286 PolarHBondContact O-N 3.08Å; R282-V291 HydrophobicContact CB-CB 3.94Å; R282-V291 HydrophobicContact CB-CG2 4.22Å; R282-V291 HydrophobicContact CG-CB 4.09Å
283	R	98.8	Very high	98.8	Very high	167 Å²	167	56.2 Å²	56.2	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-72	-36.2	-179.5	-167.9	-179.5	-55.7	151.2	3.9	112.2	E279 W280 M281	E279-R283 WeakPolarHBondContact O-CB 3.09Å; E279-R283 PolarHBondContact O-N 3.02Å; E279-R283 IonicContact OE1-CZ 3.81Å; E279-R283 IonicContact OE1-NE 2.72Å; E279-R283 PolarHBondContact OE1-NE 2.8Å; E279-R283 IonicContact OE1-NH2 3.4Å; E279-R283 PolarHBondContact OE1-NH2 3.35Å; W280-R283 PolarHBondContact O-N 2.98Å; M281-R283 PolarHBondContact O-N 2.92Å
284	H	98.9	Very high	98.8	Very high	68 Å²	68	56.4 Å²	56.4	32%	0.315	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-40.7	179.6	-179.6	69.4	0	0	0	112.5	E178 W280 M281	E178-H284 IonicContact OE1-CD2 3.39Å; E178-H284 IonicContact OE1-CE1 3.44Å; E178-H284 PolarHBondContact OE1-CE1 3.09Å; E178-H284 IonicContact OE1-NE2 2.74Å; E178-H284 PolarHBondContact OE1-NE2 3.38Å; E178-H284 IonicContact OE2-NE2 2.68Å; W280-H284 HydrophobicContact CH2-CB 4.48Å; W280-H284 HydrophobicContact CZ2-CB 4.45Å; W280-H284 WeakPolarHBondContact O-CB 3.49Å; W280-H284 PolarHBondContact O-N 2.86Å; M281-H284 PolarHBondContact O-N 3.19Å
285	L	98.8	Very high	98.8	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-93	-7.5	-174.4	-60.6	175.5	0	0	0	114.7	V175 I180 I265 M281 D288 Y289 V291	V175-L285 HydrophobicContact CB-CD2 4.3Å; V175-L285 HydrophobicContact CG1-CD1 4.27Å; V175-L285 HydrophobicContact CG1-CD2 4Å; V175-L285 HydrophobicContact CG2-CD1 4.27Å; I180-L285 HydrophobicContact CD1-CD2 4.08Å; I265-L285 HydrophobicContact CD1-CD1 3.62Å; M281-L285 HydrophobicContact CE-CD1 3.81Å; M281-L285 WeakPolarHBondContact O-CB 3.39Å; M281-L285 WeakPolarHBondContact O-CG 3.26Å; M281-L285 PolarHBondContact O-N 3.22Å; L285-D288 PolarHBondContact O-N 3.42Å; L285-Y289 HydrophobicContact CB-CD2 4.25Å; L285-Y289 HydrophobicContact CB-CG 4.45Å; L285-Y289 PolarHBondContact O-N 3.34Å; L285-Y289 VanDerWaalsContact O-N 3.16Å; L285-V291 HydrophobicContact CD1-CG2 4.43Å
286	A	97.9	Very high	98.7	Very high	50 Å²	50	53 Å²	53	41%	0.413	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	147.9	176	0	0	0	0	0	111.7	R282	R282-A286 WeakPolarHBondContact O-CB 3.49Å; R282-A286 PolarHBondContact O-N 3.08Å
287	P	98.3	Very high	98.5	Very high	120 Å²	120	55.3 Å²	55.3	78%	0.779	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.8	-5.9	3	36.8	-35.7	0	0	0	114.7	Y289	P287-Y289 VanDerWaalsContact C-N 3.32Å; P287-Y289 PolarHBondContact O-N 3.29Å
288	D	98.3	Very high	98	Very high	86 Å²	86	58.2 Å²	58.2	46%	0.46	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-31	-169.3	-61.5	-45.4	0	0	0	113.2	L285	L285-D288 PolarHBondContact O-N 3.42Å
289	Y	98.8	Very high	97.4	Very high	29 Å²	29	58.9 Å²	58.9	11%	0.114	29%	0.287	C	S	.	.			trans	-119.8	151.3	177.6	-57.1	-95.1	0	0	0	112.1	Y69 V175 G176 G262 K263 I265 L285 P287 L418	Y69-Y289 WeakPolarHBondContact CD1-OH 3.26Å; Y69-Y289 WeakPolarHBondContact CE1-OH 3.19Å; V175-Y289 HydrophobicContact CG1-CD1 3.79Å; V175-Y289 HydrophobicContact CG1-CD2 3.88Å; V175-Y289 HydrophobicContact CG1-CE1 3.47Å; V175-Y289 VanDerWaalsContact CG1-CE1 3.47Å; V175-Y289 HydrophobicContact CG1-CE2 3.58Å; V175-Y289 HydrophobicContact CG1-CG 3.99Å; G176-Y289 PolarHBondContact N-OH 3.07Å; G262-Y289 VanDerWaalsContact O-CD1 3.31Å; G262-Y289 WeakPolarHBondContact O-CD1 3.44Å; G262-Y289 WeakPolarHBondContact O-CE1 3.2Å; K263-Y289 CarbonylContact O-C 3.54Å; K263-Y289 WeakPolarHBondContact O-CA 3.41Å; I265-Y289 HydrophobicContact CD1-CD1 4.22Å; I265-Y289 HydrophobicContact CD1-CG 4.47Å; L285-Y289 HydrophobicContact CB-CD2 4.25Å; L285-Y289 HydrophobicContact CB-CG 4.45Å; L285-Y289 PolarHBondContact O-N 3.34Å; L285-Y289 VanDerWaalsContact O-N 3.16Å; P287-Y289 VanDerWaalsContact C-N 3.32Å; P287-Y289 PolarHBondContact O-N 3.29Å; Y289-L418 HydrophobicContact CD1-CD1 4.3Å; Y289-L418 HydrophobicContact CE1-CD1 3.56Å; Y289-L418 HydrophobicContact CE1-CD2 4.48Å
290	R	98.8	Very high	96.8	Very high	104 Å²	104	56.9 Å²	56.9	39%	0.392	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.5	178.3	-59.9	173.8	-67.8	-155.5	-2.1	108.6	K263 D264 I265 S420	K263-R290 PolarHBondContact O-N 3.08Å; D264-R290 IonicContact OD1-CZ 3.16Å; D264-R290 IonicContact OD1-NE 2.73Å; D264-R290 PolarHBondContact OD1-NE 3.07Å; D264-R290 IonicContact OD1-NH2 3.05Å; D264-R290 PolarHBondContact OD1-NH2 3.2Å; D264-R290 IonicContact OD2-CZ 3.63Å; D264-R290 IonicContact OD2-NE 3.86Å; D264-R290 IonicContact OD2-NH2 2.7Å; D264-R290 PolarHBondContact OD2-NH2 3.22Å; I265-R290 PolarHBondContact N-O 2.98Å; R290-S420 PolarHBondContact NH2-OG 3.41Å; R290-S420 VanDerWaalsContact NH2-OG 3.16Å
291	V	98.9	Very high	96.3	Very high	16 Å²	16	55 Å²	55	10%	0.097	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.9	174.5	-177.7	0	0	0	0	109	F258 I265 A267 I278 R282 L285	F258-V291 HydrophobicContact CD1-CG1 4.43Å; F258-V291 HydrophobicContact CE1-CG1 4.12Å; I265-V291 HydrophobicContact CB-CG2 4.36Å; I265-V291 CarbonylContact O-C 3.6Å; I265-V291 WeakPolarHBondContact O-CA 3.44Å; A267-V291 HydrophobicContact CB-CG1 4.15Å; I278-V291 HydrophobicContact CG2-CG1 3.89Å; R282-V291 HydrophobicContact CB-CB 3.94Å; R282-V291 HydrophobicContact CB-CG2 4.22Å; R282-V291 HydrophobicContact CG-CB 4.09Å; L285-V291 HydrophobicContact CD1-CG2 4.43Å
292	H	98.9	Very high	96.1	Very high	51 Å²	51	55.7 Å²	55.7	24%	0.236	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.6	-179.1	-57.2	-84.1	0	0	0	110.3	D264 I265 F266 A267	D264-H292 IonicContact OD1-CD2 3.86Å; D264-H292 IonicContact OD1-CE1 2.71Å; D264-H292 IonicContact OD1-NE2 3.31Å; D264-H292 PolarHBondContact OD1-NE2 3.3Å; I265-H292 PolarHBondContact O-N 2.94Å; F266-H292 CarbonylContact C-O 3.43Å; F266-H292 WeakPolarHBondContact CA-O 3.37Å; F266-H292 HydrophobicContact CD1-CB 3.87Å; F266-H292 HydrophobicContact CE1-CB 4.17Å; A267-H292 PolarHBondContact N-O 3.05Å
293	I	98.8	Very high	96.1	Very high	80 Å²	80	51.3 Å²	51.3	41%	0.41	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.7	172.9	-55.9	-178.4	0	0	0	108.9	A267 Y275 I278	A267-I293 WeakPolarHBondContact O-CA 3.37Å; Y275-I293 HydrophobicContact CD1-CD1 3.92Å; Y275-I293 HydrophobicContact CE1-CD1 4.08Å; I278-I293 HydrophobicContact CD1-CD1 4.11Å; I278-I293 HydrophobicContact CD1-CG1 4.25Å; I278-I293 HydrophobicContact CG2-CD1 3.9Å; I278-I293 HydrophobicContact CG2-CG1 3.81Å
294	I	98.8	Very high	96.1	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.229	C	C	.	.			trans	-119.5	159.9	170	60.7	175.6	0	0	0	110.5	F266 A267 F296 I304 F308 Q326 F330	F266-I294 HydrophobicContact CB-CD1 3.85Å; F266-I294 HydrophobicContact CB-CG1 4.26Å; F266-I294 HydrophobicContact CD1-CD1 4.3Å; F266-I294 HydrophobicContact CD1-CG2 4.09Å; F266-I294 HydrophobicContact CG-CD1 4.35Å; A267-I294 PolarHBondContact O-N 3.26Å; I294-F296 HydrophobicContact CD1-CE1 4.48Å; I294-F296 HydrophobicContact CD1-CE2 4.26Å; I294-F296 HydrophobicContact CD1-CZ 3.62Å; I294-F296 HydrophobicContact CG1-CE2 4.07Å; I294-F296 HydrophobicContact CG1-CZ 3.92Å; I294-I304 HydrophobicContact CD1-CD1 3.93Å; I294-I304 HydrophobicContact CG1-CD1 4.03Å; I294-F308 HydrophobicContact CD1-CD1 3.89Å; I294-F308 HydrophobicContact CD1-CE1 4.13Å; I294-F308 HydrophobicContact CD1-CG 4.4Å; I294-Q326 HydrophobicContact CG2-CB 4.12Å; I294-Q326 HydrophobicContact CG2-CG 4.42Å; I294-F330 HydrophobicContact CD1-CZ 4.18Å; I294-F330 HydrophobicContact CG2-CE2 4.35Å; I294-F330 HydrophobicContact CG2-CZ 4.31Å
295	S	98.6	Very high	96.1	Very high	42 Å²	42	40.2 Å²	40.2	29%	0.294	22%	0.215	S	C	.	.			trans	-142.3	156.4	-172.4	60.7	0	0	0	0	110.7	C324 H325 Q326	S295-C324 WeakPolarHBondContact O-CA 3.28Å; S295-H325 PolarHBondContact O-N 3Å; S295-H325 PolarHBondContact OG-ND1 3.19Å; S295-Q326 PolarHBondContact O-OE1 3.38Å; S295-Q326 PolarHBondContact OG-NE2 3.34Å; S295-Q326 VanDerWaalsContact OG-NE2 3.1Å; S295-Q326 PolarHBondContact OG-OE1 3.27Å
296	F	98.5	Very high	96.1	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.039	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-134.8	151.9	-172.8	-51.8	-90.2	0	0	0	110.1	Q268 I294 P299 I304 T307 F308 R322 P323 C324 H325	Q268-F296 HydrophobicContact CB-CE2 4.26Å; Q268-F296 VanDerWaalsContact NE2-CD2 3.35Å; Q268-F296 VanDerWaalsContact NE2-CE2 3.34Å; I294-F296 HydrophobicContact CD1-CE1 4.48Å; I294-F296 HydrophobicContact CD1-CE2 4.26Å; I294-F296 HydrophobicContact CD1-CZ 3.62Å; I294-F296 HydrophobicContact CG1-CE2 4.07Å; I294-F296 HydrophobicContact CG1-CZ 3.92Å; F296-P299 HydrophobicContact CB-CB 4.39Å; F296-I304 HydrophobicContact CE2-CD1 3.9Å; F296-I304 HydrophobicContact CE2-CG1 3.93Å; F296-I304 HydrophobicContact CZ-CD1 3.99Å; F296-I304 HydrophobicContact CZ-CG1 4.02Å; F296-T307 HydrophobicContact CB-CG2 4.26Å; F296-T307 HydrophobicContact CD1-CG2 3.49Å; F296-T307 VanDerWaalsContact CD1-CG2 3.49Å; F296-T307 HydrophobicContact CD2-CG2 3.94Å; F296-T307 HydrophobicContact CE1-CG2 3.72Å; F296-T307 HydrophobicContact CE2-CG2 4.16Å; F296-T307 HydrophobicContact CG-CG2 3.61Å; F296-T307 HydrophobicContact CZ-CG2 4.05Å; F296-F308 HydrophobicContact CE1-CB 3.72Å; F296-F308 HydrophobicContact CE1-CD2 4.01Å; F296-F308 HydrophobicContact CE1-CG 4.04Å; F296-F308 HydrophobicContact CZ-CB 3.61Å; F296-F308 HydrophobicContact CZ-CD2 4.5Å; F296-F308 HydrophobicContact CZ-CG 4.08Å; F296-R322 HydrophobicContact CB-CB 4.4Å; F296-R322 WeakPolarHBondContact CD1-O 3.08Å; F296-P323 WeakPolarHBondContact CA-O 3.41Å; F296-C324 HydrophobicContact CD1-CB 3.72Å; F296-C324 HydrophobicContact CE1-CB 3.59Å; F296-H325 VanDerWaalsContact C-CE1 3.43Å; F296-H325 PolarHBondContact O-CE1 3.37Å
297	K	93.9	Very high	96.1	Very high	116 Å²	116	37.5 Å²	37.5	50%	0.504	19%	0.193	S	C	.	.	S	Bend	trans	-67.5	143.2	163	-177.7	-169.7	173.4	-162.2	0	108.9	P299 R322 P323 H325	K297-P299 VanDerWaalsContact C-N 3.33Å; K297-R322 VanDerWaalsContact O-CA 3.3Å; K297-R322 WeakPolarHBondContact O-CA 3.38Å; K297-P323 HydrophobicContact CB-CG 3.8Å; K297-P323 HydrophobicContact CD-CG 4.14Å; K297-P323 PolarHBondContact N-O 3.05Å; K297-H325 PolarHBondContact N-NE2 2.95Å
298	D	89.3	Confident	96.2	Very high	61 Å²	61	31.8 Å²	31.8	33%	0.326	16%	0.156	S	C	.	.	S	Bend	trans	45	51.8	176.1	-58.9	-28.3	0	0	0	113.2	H236 R322	H236-D298 WeakPolarHBondContact CB-OD1 3.31Å; H236-D298 IonicContact CG-OD1 2.72Å; H236-D298 IonicContact ND1-OD1 2.83Å; D298-R322 WeakPolarHBondContact O-CG 3.49Å
299	P	85.7	Confident	96.2	Very high	20 Å²	20	27.8 Å²	27.8	13%	0.13	14%	0.135	C	C	.	.			trans	-63.1	152.9	-167.3	28.3	-35.5	0	0	0	111.5	A239 F296 K297	A239-P299 HydrophobicContact CB-CG 4.08Å; F296-P299 HydrophobicContact CB-CB 4.39Å; K297-P299 VanDerWaalsContact C-N 3.33Å
300	N	87	Confident	96.2	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.043	13%	0.13	C	C	.	.			trans	-53.9	137.7	162.4	-160.3	-47.7	0	0	0	108	M302 R322	N300-M302 WeakPolarHBondContact CB-O 3.36Å; N300-M302 PolarHBondContact O-N 3.17Å; N300-M302 PolarHBondContact OD1-N 3Å; N300-M302 PolarHBondContact OD1-O 3.35Å; N300-R322 PolarHBondContact ND2-NH1 2.91Å; N300-R322 PolarHBondContact ND2-NH2 3.06Å
301	P	88.8	Confident	96.2	Very high	7 Å²	7	21.5 Å²	21.5	5%	0.045	11%	0.111	C	C	.	.	S	Bend	trans	-57.9	-28.3	177.9	23.7	-38.5	0	0	0	113.2	N98 R235 Q271	N98-P301 HydrophobicContact CB-CB 4.27Å; N98-P301 PolarHBondContact ND2-O 3.28Å; R235-P301 VanDerWaalsContact CZ-CD 3.49Å; R235-P301 VanDerWaalsContact NH1-CG 3.25Å; Q271-P301 WeakPolarHBondContact CB-O 3.48Å; Q271-P301 HydrophobicContact CG-CB 3.85Å; Q271-P301 WeakPolarHBondContact CG-O 3.36Å; Q271-P301 PolarHBondContact N-O 3.26Å
302	M	94.6	Very high	96.2	Very high	14 Å²	14	21 Å²	21	7%	0.069	11%	0.11	C	C	.	.	S	Bend	trans	-147.4	154.9	173.6	58.4	174.1	118.8	0	0	109.8	N98 W186 V272 N300	N98-M302 HydrophobicContact CB-CE 3.47Å; N98-M302 VanDerWaalsContact CB-CE 3.47Å; N98-M302 WeakPolarHBondContact ND2-CB 3.43Å; N98-M302 VanDerWaalsContact ND2-CE 3.34Å; N98-M302 WeakPolarHBondContact ND2-CE 3.19Å; W186-M302 HydrophobicContact CH2-CE 3.78Å; W186-M302 HydrophobicContact CZ2-CE 3.29Å; V272-M302 HydrophobicContact CG1-CB 4.34Å; V272-M302 HydrophobicContact CG2-CB 3.56Å; N300-M302 WeakPolarHBondContact CB-O 3.36Å; N300-M302 PolarHBondContact O-N 3.17Å; N300-M302 PolarHBondContact OD1-N 3Å; N300-M302 PolarHBondContact OD1-O 3.35Å
303	H	98.7	Very high	96.2	Very high	15 Å²	15	21 Å²	21	7%	0.069	11%	0.114	C	C	.	.			trans	72.4	134.8	170.3	-43.3	159.2	0	0	0	114.2	D170 D254 A256 D257	D170-H303 IonicContact OD1-CE1 3.23Å; D170-H303 PolarHBondContact OD1-CE1 3.29Å; D170-H303 IonicContact OD1-ND1 3.86Å; D170-H303 IonicContact OD2-CE1 3.35Å; D170-H303 PolarHBondContact OD2-CE1 3.27Å; D254-H303 IonicContact OD2-CD2 2.7Å; D254-H303 IonicContact OD2-CE1 2.73Å; D254-H303 IonicContact OD2-NE2 2.81Å; D254-H303 PolarHBondContact OD2-NE2 2.91Å; A256-H303 HydrophobicContact CB-CB 3.84Å; A256-H303 WeakPolarHBondContact O-CA 3.26Å; D257-H303 VanDerWaalsContact OD1-CA 3.22Å; D257-H303 WeakPolarHBondContact OD1-CA 3.21Å; D257-H303 PolarHBondContact OD1-N 2.68Å
304	I	98.6	Very high	96.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-94.6	-22.3	-171.4	-158.2	168.5	0	0	0	112.9	A256 I259 Q268 I294 F296 A306 T307 F308	A256-I304 WeakPolarHBondContact O-CG2 3.39Å; A256-I304 PolarHBondContact O-N 3.1Å; I259-I304 HydrophobicContact CB-CG2 3.85Å; I259-I304 HydrophobicContact CG2-CD1 4.44Å; I259-I304 HydrophobicContact CG2-CG2 3.97Å; Q268-I304 HydrophobicContact CB-CD1 4.21Å; Q268-I304 HydrophobicContact CG-CB 4.24Å; Q268-I304 HydrophobicContact CG-CD1 4.32Å; Q268-I304 HydrophobicContact CG-CG1 4.34Å; I294-I304 HydrophobicContact CD1-CD1 3.93Å; I294-I304 HydrophobicContact CG1-CD1 4.03Å; F296-I304 HydrophobicContact CE2-CD1 3.9Å; F296-I304 HydrophobicContact CE2-CG1 3.93Å; F296-I304 HydrophobicContact CZ-CD1 3.99Å; F296-I304 HydrophobicContact CZ-CG1 4.02Å; I304-A306 VanDerWaalsContact C-N 3.31Å; I304-A306 PolarHBondContact O-N 3.27Å; I304-T307 CarbonylContact O-C 3.45Å; I304-T307 WeakPolarHBondContact O-CA 3.48Å; I304-T307 WeakPolarHBondContact O-CB 3.47Å; I304-T307 PolarHBondContact O-N 2.68Å; I304-F308 HydrophobicContact CG1-CB 4.19Å; I304-F308 PolarHBondContact O-N 2.73Å
305	D	98.3	Very high	96.1	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.8	-168.1	63.4	-11.8	0	0	0	115.6	N361 H406 C407	D305-N361 PolarHBondContact O-ND2 2.73Å; D305-N361 PolarHBondContact OD1-ND2 2.87Å; D305-N361 PolarHBondContact OD2-ND2 3.19Å; D305-H406 VanDerWaalsContact CB-ND1 3.26Å; D305-H406 WeakPolarHBondContact CB-ND1 3.45Å; D305-H406 IonicContact OD2-CE1 3.19Å; D305-H406 IonicContact OD2-CG 2.84Å; D305-H406 IonicContact OD2-ND1 3.87Å; D305-H406 PolarHBondContact OD2-ND1 3.44Å; D305-C407 PolarHBondContact OD2-SG 3.26Å
306	A	98.4	Very high	96.1	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.017	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	15.2	165.5	0	0	0	0	0	112.8	I304 N319 R322 N361	I304-A306 VanDerWaalsContact C-N 3.31Å; I304-A306 PolarHBondContact O-N 3.27Å; A306-N319 PolarHBondContact O-ND2 3.38Å; A306-R322 PolarHBondContact O-NH1 3.15Å; A306-N361 HydrophobicContact CB-CB 4.44Å
307	T	98.8	Very high	96.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-47.2	-179.6	-60.2	0	0	0	0	111	F296 I304 N319 R322	F296-T307 HydrophobicContact CB-CG2 4.26Å; F296-T307 HydrophobicContact CD1-CG2 3.49Å; F296-T307 VanDerWaalsContact CD1-CG2 3.49Å; F296-T307 HydrophobicContact CD2-CG2 3.94Å; F296-T307 HydrophobicContact CE1-CG2 3.72Å; F296-T307 HydrophobicContact CE2-CG2 4.16Å; F296-T307 HydrophobicContact CG-CG2 3.61Å; F296-T307 HydrophobicContact CZ-CG2 4.05Å; I304-T307 CarbonylContact O-C 3.45Å; I304-T307 WeakPolarHBondContact O-CA 3.48Å; I304-T307 WeakPolarHBondContact O-CB 3.47Å; I304-T307 PolarHBondContact O-N 2.68Å; T307-N319 VanDerWaalsContact O-CB 3.28Å; T307-N319 WeakPolarHBondContact O-CB 3.5Å; T307-N319 PolarHBondContact O-N 2.97Å; T307-R322 HydrophobicContact CG2-CB 3.71Å; T307-R322 HydrophobicContact CG2-CG 4.47Å; T307-R322 VanDerWaalsContact OG1-CD 3.29Å; T307-R322 WeakPolarHBondContact OG1-CD 3.36Å; T307-R322 PolarHBondContact OG1-NH1 3.17Å; T307-R322 VanDerWaalsContact OG1-NH1 3.11Å
308	F	98.9	Very high	96.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	87.2	-176.7	-161.3	-105.1	0	0	0	108.7	I259 I294 F296 I304 I310 V316 L317 I327 F330	I259-F308 WeakPolarHBondContact CD1-O 3.21Å; I294-F308 HydrophobicContact CD1-CD1 3.89Å; I294-F308 HydrophobicContact CD1-CE1 4.13Å; I294-F308 HydrophobicContact CD1-CG 4.4Å; F296-F308 HydrophobicContact CE1-CB 3.72Å; F296-F308 HydrophobicContact CE1-CD2 4.01Å; F296-F308 HydrophobicContact CE1-CG 4.04Å; F296-F308 HydrophobicContact CZ-CB 3.61Å; F296-F308 HydrophobicContact CZ-CD2 4.5Å; F296-F308 HydrophobicContact CZ-CG 4.08Å; I304-F308 HydrophobicContact CG1-CB 4.19Å; I304-F308 PolarHBondContact O-N 2.73Å; F308-I310 HydrophobicContact CD1-CG1 4.38Å; F308-I310 HydrophobicContact CE1-CG1 4.37Å; F308-V316 HydrophobicContact CD1-CG2 3.71Å; F308-V316 HydrophobicContact CD2-CG2 3.74Å; F308-V316 HydrophobicContact CE1-CB 4.41Å; F308-V316 HydrophobicContact CE1-CG1 4.46Å; F308-V316 HydrophobicContact CE1-CG2 3.62Å; F308-V316 HydrophobicContact CE2-CB 4.38Å; F308-V316 HydrophobicContact CE2-CG1 3.84Å; F308-V316 HydrophobicContact CE2-CG2 3.64Å; F308-V316 HydrophobicContact CG-CG2 3.78Å; F308-V316 HydrophobicContact CZ-CB 4.14Å; F308-V316 HydrophobicContact CZ-CG1 3.72Å; F308-V316 HydrophobicContact CZ-CG2 3.59Å; F308-L317 CarbonylContact C-O 3.39Å; F308-L317 WeakPolarHBondContact CA-O 3.21Å; F308-I327 HydrophobicContact CE2-CD1 4.09Å; F308-F330 HydrophobicContact CE1-CD1 4.28Å; F308-F330 AromaticContact CE1-CE1 3.6Å; F308-F330 HydrophobicContact CE1-CE1 3.6Å; F308-F330 HydrophobicContact CE1-CE2 4.02Å; F308-F330 AromaticContact CE1-CZ 3.45Å; F308-F330 HydrophobicContact CE1-CZ 3.45Å; F308-F330 VanDerWaalsContact CE1-CZ 3.45Å; F308-F330 HydrophobicContact CE2-CE2 4.42Å; F308-F330 AromaticContact CZ-CD1 3.92Å; F308-F330 HydrophobicContact CZ-CD1 3.92Å; F308-F330 AromaticContact CZ-CD2 3.84Å; F308-F330 HydrophobicContact CZ-CD2 3.84Å; F308-F330 AromaticContact CZ-CE1 3.65Å; F308-F330 HydrophobicContact CZ-CE1 3.65Å; F308-F330 AromaticContact CZ-CE2 3.59Å; F308-F330 HydrophobicContact CZ-CE2 3.59Å; F308-F330 AromaticContact CZ-CG 3.99Å; F308-F330 HydrophobicContact CZ-CG 3.99Å; F308-F330 AromaticContact CZ-CZ 3.48Å; F308-F330 HydrophobicContact CZ-CZ 3.48Å; F308-F330 VanDerWaalsContact CZ-CZ 3.48Å
309	N	98.9	Very high	96.9	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.011	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	110.5	-174.6	-168.4	-14.9	0	0	0	110.1	V316 L317 M360 V362	N309-V316 WeakPolarHBondContact O-CG2 3.19Å; N309-L317 HydrophobicContact CB-CB 4.31Å; N309-L317 PolarHBondContact N-O 2.87Å; N309-L317 PolarHBondContact O-N 3.17Å; N309-M360 HydrophobicContact CB-CE 4.42Å; N309-M360 PolarHBondContact ND2-O 2.97Å; N309-V362 PolarHBondContact ND2-N 2.82Å; N309-V362 PolarHBondContact ND2-O 3.06Å
310	I	98.9	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.1	-177.5	-49	174.4	0	0	0	108.1	E71 W72 I259 A261 F266 F308 T315 V316 W335	E71-I310 WeakPolarHBondContact CB-O 3.28Å; W72-I310 HydrophobicContact CE3-CG2 4.02Å; W72-I310 HydrophobicContact CH2-CG2 4.08Å; W72-I310 HydrophobicContact CZ3-CB 4.17Å; W72-I310 HydrophobicContact CZ3-CG2 3.34Å; I259-I310 HydrophobicContact CD1-CB 4.27Å; I259-I310 HydrophobicContact CD1-CG1 4.07Å; I259-I310 HydrophobicContact CG1-CB 4.49Å; I259-I310 HydrophobicContact CG1-CD1 4.23Å; I259-I310 HydrophobicContact CG1-CG1 4.22Å; I259-I310 HydrophobicContact CG2-CD1 3.8Å; I259-I310 HydrophobicContact CG2-CG1 4.23Å; A261-I310 HydrophobicContact CB-CD1 4.13Å; F266-I310 HydrophobicContact CD2-CD1 3.76Å; F266-I310 HydrophobicContact CE2-CD1 4.05Å; F308-I310 HydrophobicContact CD1-CG1 4.38Å; F308-I310 HydrophobicContact CE1-CG1 4.37Å; I310-T315 WeakPolarHBondContact CG2-O 3.44Å; I310-V316 HydrophobicContact CG1-CB 4.44Å; I310-V316 HydrophobicContact CG1-CG2 4Å; I310-W335 HydrophobicContact CD1-CH2 3.98Å; I310-W335 HydrophobicContact CD1-CZ3 3.97Å; I310-W335 HydrophobicContact CG1-CZ3 4.1Å; I310-W335 HydrophobicContact CG2-CH2 4.03Å; I310-W335 HydrophobicContact CG2-CZ3 3.77Å
311	I	98.8	Very high	98	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-1.3	-168.1	57.9	164	0	0	0	113.7	W72 T315 L317 I338 V362 M364 F383 I388	W72-I311 WeakPolarHBondContact CB-O 3.48Å; I311-T315 HydrophobicContact CD1-CG2 3.94Å; I311-T315 HydrophobicContact CG1-CG2 3.79Å; I311-T315 PolarHBondContact N-O 3Å; I311-L317 HydrophobicContact CD1-CD2 3.72Å; I311-L317 HydrophobicContact CD1-CG 3.96Å; I311-L317 HydrophobicContact CG1-CG 4.36Å; I311-L317 HydrophobicContact CG2-CD1 4Å; I311-L317 HydrophobicContact CG2-CG 3.95Å; I311-I338 HydrophobicContact CD1-CD1 4.43Å; I311-V362 HydrophobicContact CG2-CG2 4.1Å; I311-M364 HydrophobicContact CB-CE 4.41Å; I311-M364 HydrophobicContact CB-CG 3.96Å; I311-M364 HydrophobicContact CB-SD 3.74Å; I311-M364 HydrophobicContact CG2-CG 4.15Å; I311-M364 HydrophobicContact CG2-SD 3.91Å; I311-M364 WeakPolarHBondContact O-CE 3.25Å; I311-F383 HydrophobicContact CD1-CE1 3.95Å; I311-I388 HydrophobicContact CD1-CD1 4.46Å
312	G	98.6	Very high	98.4	Very high	6 Å²	6	14.9 Å²	14.9	6%	0.062	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	173.2	-179	0	0	0	0	0	112.3	G314 T315	G312-G314 PolarHBondContact O-N 3.23Å; G312-T315 PolarHBondContact N-O 3.14Å; G312-T315 PolarHBondContact O-N 2.95Å
313	P	98.6	Very high	98.6	Very high	51 Å²	51	17 Å²	17	33%	0.331	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	114.5	175.4	-20.4	31.5	0	0	0	110.1	W72 T315 Y421	W72-P313 HydrophobicContact CZ2-CB 4.47Å; W72-P313 HydrophobicContact CZ2-CG 4.36Å; P313-T315 PolarHBondContact O-N 3.12Å; P313-T315 PolarHBondContact O-OG1 3.3Å; P313-Y421 HydrophobicContact CB-CD1 3.95Å; P313-Y421 HydrophobicContact CB-CE1 4.01Å; P313-Y421 HydrophobicContact CG-CE1 4.43Å
314	G	98.3	Very high	98.6	Very high	13 Å²	13	16.7 Å²	16.7	13%	0.134	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	25.3	-177.8	0	0	0	0	0	114.6	G312 W335 T336	G312-G314 PolarHBondContact O-N 3.23Å; G314-W335 CarbonylContact O-C 3.57Å; G314-W335 WeakPolarHBondContact O-CA 3.18Å; G314-W335 WeakPolarHBondContact O-CB 3.32Å; G314-T336 PolarHBondContact O-N 3.22Å
315	T	98.8	Very high	98.6	Very high	34 Å²	34	22.3 Å²	22.3	21%	0.209	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.1	-178.7	-55.5	0	0	0	0	111.4	I310 I311 G312 P313 T336 I338	I310-T315 WeakPolarHBondContact CG2-O 3.44Å; I311-T315 HydrophobicContact CD1-CG2 3.94Å; I311-T315 HydrophobicContact CG1-CG2 3.79Å; I311-T315 PolarHBondContact N-O 3Å; G312-T315 PolarHBondContact N-O 3.14Å; G312-T315 PolarHBondContact O-N 2.95Å; P313-T315 PolarHBondContact O-N 3.12Å; P313-T315 PolarHBondContact O-OG1 3.3Å; T315-T336 WeakPolarHBondContact CA-O 3.43Å; T315-I338 HydrophobicContact CG2-CD1 3.65Å; T315-I338 HydrophobicContact CG2-CG1 4.35Å
316	V	98.9	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140.5	-176	62.8	0	0	0	0	112.3	F308 N309 I310 W335 T336 I337 I338	F308-V316 HydrophobicContact CD1-CG2 3.71Å; F308-V316 HydrophobicContact CD2-CG2 3.74Å; F308-V316 HydrophobicContact CE1-CB 4.41Å; F308-V316 HydrophobicContact CE1-CG1 4.46Å; F308-V316 HydrophobicContact CE1-CG2 3.62Å; F308-V316 HydrophobicContact CE2-CB 4.38Å; F308-V316 HydrophobicContact CE2-CG1 3.84Å; F308-V316 HydrophobicContact CE2-CG2 3.64Å; F308-V316 HydrophobicContact CG-CG2 3.78Å; F308-V316 HydrophobicContact CZ-CB 4.14Å; F308-V316 HydrophobicContact CZ-CG1 3.72Å; F308-V316 HydrophobicContact CZ-CG2 3.59Å; N309-V316 WeakPolarHBondContact O-CG2 3.19Å; I310-V316 HydrophobicContact CG1-CB 4.44Å; I310-V316 HydrophobicContact CG1-CG2 4Å; V316-W335 HydrophobicContact CB-CE3 4.18Å; V316-W335 HydrophobicContact CB-CZ3 4.3Å; V316-W335 HydrophobicContact CG1-CE3 4.05Å; V316-T336 PolarHBondContact N-O 3.3Å; V316-T336 VanDerWaalsContact N-O 3.07Å; V316-I337 HydrophobicContact CG1-CD1 3.39Å; V316-I338 PolarHBondContact O-N 2.96Å
317	L	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.9	165.3	-54.6	-178.6	0	0	0	109.2	F308 N309 I311 I338 M360 V362 M382 F383	F308-L317 CarbonylContact C-O 3.39Å; F308-L317 WeakPolarHBondContact CA-O 3.21Å; N309-L317 HydrophobicContact CB-CB 4.31Å; N309-L317 PolarHBondContact N-O 2.87Å; N309-L317 PolarHBondContact O-N 3.17Å; I311-L317 HydrophobicContact CD1-CD2 3.72Å; I311-L317 HydrophobicContact CD1-CG 3.96Å; I311-L317 HydrophobicContact CG1-CG 4.36Å; I311-L317 HydrophobicContact CG2-CD1 4Å; I311-L317 HydrophobicContact CG2-CG 3.95Å; L317-I338 CarbonylContact C-O 3.56Å; L317-I338 VanDerWaalsContact CA-O 3.29Å; L317-I338 WeakPolarHBondContact CA-O 3.39Å; L317-I338 HydrophobicContact CD2-CB 3.89Å; L317-I338 HydrophobicContact CD2-CG2 3.85Å; L317-M360 HydrophobicContact CB-CE 3.77Å; L317-M360 HydrophobicContact CD1-CB 4.26Å; L317-M360 VanDerWaalsContact O-CE 3.32Å; L317-M360 WeakPolarHBondContact O-CE 3.45Å; L317-V362 HydrophobicContact CD1-CG2 4.12Å; L317-M382 HydrophobicContact CD1-CE 4.48Å; L317-M382 HydrophobicContact CD2-CE 3.73Å; L317-M382 HydrophobicContact CD2-SD 4.37Å; L317-F383 HydrophobicContact CD1-CE1 4.38Å; L317-F383 HydrophobicContact CD1-CZ 3.84Å
318	S	98.8	Very high	98.6	Very high	10 Å²	10	31 Å²	31	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.6	176.4	-177.5	0	0	0	0	109.9	I338 P340	S318-I338 PolarHBondContact N-O 3.08Å; S318-P340 VanDerWaalsContact O-CD 3.26Å; S318-P340 WeakPolarHBondContact O-CD 3.31Å
319	N	98.8	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.			trans	-59.1	125.9	179.7	-173.4	-45.2	0	0	0	111	A306 T307 D321 R322 W357 M360	A306-N319 PolarHBondContact O-ND2 3.38Å; T307-N319 VanDerWaalsContact O-CB 3.28Å; T307-N319 WeakPolarHBondContact O-CB 3.5Å; T307-N319 PolarHBondContact O-N 2.97Å; N319-D321 VanDerWaalsContact C-N 3.27Å; N319-D321 PolarHBondContact O-N 3.08Å; N319-D321 WeakPolarHBondContact OD1-CB 3.18Å; N319-D321 PolarHBondContact OD1-N 2.95Å; N319-R322 HydrophobicContact CB-CB 4.16Å; N319-R322 CarbonylContact O-C 3.47Å; N319-R322 PolarHBondContact O-N 2.93Å; N319-W357 WeakPolarHBondContact ND2-CB 3.11Å; N319-W357 VanDerWaalsContact ND2-CD1 3.32Å; N319-M360 HydrophobicContact CB-CE 4.14Å; N319-M360 HydrophobicContact CB-SD 3.61Å
320	P	98.3	Very high	98.6	Very high	56 Å²	56	34.4 Å²	34.4	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.5	-178.1	21.5	-29.7	0	0	0	113.8	R322 T339 W357	P320-R322 VanDerWaalsContact C-N 3.28Å; P320-T339 HydrophobicContact CB-CG2 3.51Å; P320-T339 HydrophobicContact CG-CG2 3.84Å; P320-W357 VanDerWaalsContact CD-CH2 3.43Å; P320-W357 HydrophobicContact CG-CH2 3.23Å; P320-W357 HydrophobicContact CG-CZ2 3.57Å; P320-W357 HydrophobicContact CG-CZ3 4.11Å
321	D	98.1	Very high	98.5	Very high	93 Å²	93	39.9 Å²	39.9	50%	0.497	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.8	-178.6	-62.6	-8.6	0	0	0	111.6	N319 P323 W357	N319-D321 VanDerWaalsContact C-N 3.27Å; N319-D321 PolarHBondContact O-N 3.08Å; N319-D321 WeakPolarHBondContact OD1-CB 3.18Å; N319-D321 PolarHBondContact OD1-N 2.95Å; D321-P323 VanDerWaalsContact C-CD 3.43Å; D321-P323 WeakPolarHBondContact O-CD 3.42Å; D321-W357 WeakPolarHBondContact OD2-CZ2 3.43Å; D321-W357 PolarHBondContact OD2-NE1 3.3Å
322	R	98.3	Very high	98.5	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.045	25%	0.253	C	S	.	.	S	Bend	trans	-129.1	61.5	-172.9	-54	176.8	-177.9	149.7	-0.7	111.2	F296 K297 D298 N300 A306 T307 N319 P320 C324 S355	F296-R322 HydrophobicContact CB-CB 4.4Å; F296-R322 WeakPolarHBondContact CD1-O 3.08Å; K297-R322 VanDerWaalsContact O-CA 3.3Å; K297-R322 WeakPolarHBondContact O-CA 3.38Å; D298-R322 WeakPolarHBondContact O-CG 3.49Å; N300-R322 PolarHBondContact ND2-NH1 2.91Å; N300-R322 PolarHBondContact ND2-NH2 3.06Å; A306-R322 PolarHBondContact O-NH1 3.15Å; T307-R322 HydrophobicContact CG2-CB 3.71Å; T307-R322 HydrophobicContact CG2-CG 4.47Å; T307-R322 VanDerWaalsContact OG1-CD 3.29Å; T307-R322 WeakPolarHBondContact OG1-CD 3.36Å; T307-R322 PolarHBondContact OG1-NH1 3.17Å; T307-R322 VanDerWaalsContact OG1-NH1 3.11Å; N319-R322 HydrophobicContact CB-CB 4.16Å; N319-R322 CarbonylContact O-C 3.47Å; N319-R322 PolarHBondContact O-N 2.93Å; P320-R322 VanDerWaalsContact C-N 3.28Å; R322-C324 PolarHBondContact O-N 2.97Å; R322-S355 PolarHBondContact NH2-OG 3.23Å; R322-S355 VanDerWaalsContact NH2-OG 3.08Å
323	P	98.3	Very high	98.5	Very high	59 Å²	59	49.3 Å²	49.3	38%	0.383	26%	0.26	S	S	.	.			trans	-60.4	134.9	-177.3	24.6	-35	0	0	0	111.7	F296 K297 D321	F296-P323 WeakPolarHBondContact CA-O 3.41Å; K297-P323 HydrophobicContact CB-CG 3.8Å; K297-P323 HydrophobicContact CD-CG 4.14Å; K297-P323 PolarHBondContact N-O 3.05Å; D321-P323 VanDerWaalsContact C-CD 3.43Å; D321-P323 WeakPolarHBondContact O-CD 3.42Å
324	C	98.8	Very high	98.5	Very high	7 Å²	7	49.8 Å²	49.8	5%	0.047	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-71.1	128.1	176.2	-177.1	0	0	0	0	110.9	S295 F296 R322 Q326 I327	S295-C324 WeakPolarHBondContact O-CA 3.28Å; F296-C324 HydrophobicContact CD1-CB 3.72Å; F296-C324 HydrophobicContact CE1-CB 3.59Å; R322-C324 PolarHBondContact O-N 2.97Å; C324-Q326 PolarHBondContact O-N 2.91Å; C324-Q326 PolarHBondContact SG-N 3.4Å; C324-Q326 VanDerWaalsContact SG-N 3.43Å; C324-I327 HydrophobicContact CB-CB 4.19Å; C324-I327 HydrophobicContact CB-CD1 4.2Å; C324-I327 WeakPolarHBondContact O-CB 3.09Å; C324-I327 PolarHBondContact O-N 3.14Å
325	H	98.7	Very high	98.5	Very high	119 Å²	119	49.9 Å²	49.9	55%	0.551	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.9	176.5	-59.2	145.8	0	0	0	112.2	S295 F296 K297	S295-H325 PolarHBondContact O-N 3Å; S295-H325 PolarHBondContact OG-ND1 3.19Å; F296-H325 VanDerWaalsContact C-CE1 3.43Å; F296-H325 PolarHBondContact O-CE1 3.37Å; K297-H325 PolarHBondContact N-NE2 2.95Å
326	Q	98.6	Very high	98.5	Very high	68 Å²	68	52 Å²	52	32%	0.318	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	20.3	179.1	-65.5	75.1	24.5	0	0	112.4	I294 S295 C324 D328 L329	I294-Q326 HydrophobicContact CG2-CB 4.12Å; I294-Q326 HydrophobicContact CG2-CG 4.42Å; S295-Q326 PolarHBondContact O-OE1 3.38Å; S295-Q326 PolarHBondContact OG-NE2 3.34Å; S295-Q326 VanDerWaalsContact OG-NE2 3.1Å; S295-Q326 PolarHBondContact OG-OE1 3.27Å; C324-Q326 PolarHBondContact O-N 2.91Å; C324-Q326 PolarHBondContact SG-N 3.4Å; C324-Q326 VanDerWaalsContact SG-N 3.43Å; Q326-D328 PolarHBondContact O-N 3.29Å; Q326-L329 VanDerWaalsContact O-CB 3.23Å; Q326-L329 WeakPolarHBondContact O-CB 3.41Å; Q326-L329 PolarHBondContact O-N 3.3Å
327	I	98.6	Very high	98.5	Very high	30 Å²	30	54.4 Å²	54.4	15%	0.154	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-30.2	-173.8	-162.1	62.2	0	0	0	113.6	F308 C324 L329 F330 K331 I337	F308-I327 HydrophobicContact CE2-CD1 4.09Å; C324-I327 HydrophobicContact CB-CB 4.19Å; C324-I327 HydrophobicContact CB-CD1 4.2Å; C324-I327 WeakPolarHBondContact O-CB 3.09Å; C324-I327 PolarHBondContact O-N 3.14Å; I327-L329 VanDerWaalsContact C-N 3.25Å; I327-L329 PolarHBondContact O-N 2.78Å; I327-F330 HydrophobicContact CD1-CD2 4.41Å; I327-F330 PolarHBondContact O-N 3.12Å; I327-K331 PolarHBondContact O-N 2.78Å; I327-K331 VanDerWaalsContact O-N 3.14Å; I327-I337 HydrophobicContact CD1-CD1 3.86Å; I327-I337 HydrophobicContact CD1-CG1 3.94Å; I327-I337 HydrophobicContact CD1-CG2 3.87Å; I327-I337 HydrophobicContact CG1-CG1 4.34Å; I327-I337 HydrophobicContact CG1-CG2 4.5Å
328	D	98.4	Very high	98.5	Very high	88 Å²	88	55.3 Å²	55.3	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-69.1	-20.8	179.6	-69.8	-17	0	0	0	113.3	Q326 K331 K332	Q326-D328 PolarHBondContact O-N 3.29Å; D328-K331 WeakPolarHBondContact OD1-CD 3.45Å; D328-K331 IonicContact OD1-NZ 3.02Å; D328-K331 PolarHBondContact OD1-NZ 3.48Å; D328-K332 WeakPolarHBondContact O-CB 3.31Å; D328-K332 WeakPolarHBondContact O-CG 3.37Å; D328-K332 PolarHBondContact O-N 3.23Å
329	L	98.2	Very high	98.5	Very high	74 Å²	74	59 Å²	59	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-58.7	-50.5	169.4	175.3	64.1	0	0	0	110.1	Q326 I327 K332 A333 L422	Q326-L329 VanDerWaalsContact O-CB 3.23Å; Q326-L329 WeakPolarHBondContact O-CB 3.41Å; Q326-L329 PolarHBondContact O-N 3.3Å; I327-L329 VanDerWaalsContact C-N 3.25Å; I327-L329 PolarHBondContact O-N 2.78Å; L329-K332 PolarHBondContact O-N 3.02Å; L329-A333 PolarHBondContact O-N 3.07Å; L329-A333 VanDerWaalsContact O-N 3.11Å; L329-L422 HydrophobicContact CD2-CD2 4.38Å; L329-L422 HydrophobicContact CG-CD1 4.43Å
330	F	98.6	Very high	98.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.7	-40.7	-178.6	-57.9	-84.5	0	0	0	111.8	F266 I294 F308 I327 K332 A333 G334 W335 I337 L422	F266-F330 HydrophobicContact CD1-CE1 4.01Å; F266-F330 AromaticContact CD1-CZ 3.69Å; F266-F330 HydrophobicContact CD1-CZ 3.69Å; F266-F330 AromaticContact CE1-CE1 3.45Å; F266-F330 HydrophobicContact CE1-CE1 3.45Å; F266-F330 VanDerWaalsContact CE1-CE1 3.45Å; F266-F330 AromaticContact CE1-CZ 3.49Å; F266-F330 HydrophobicContact CE1-CZ 3.49Å; F266-F330 VanDerWaalsContact CE1-CZ 3.49Å; F266-F330 HydrophobicContact CE2-CE1 4.06Å; F266-F330 HydrophobicContact CG-CZ 4.37Å; F266-F330 HydrophobicContact CZ-CD1 4.47Å; F266-F330 AromaticContact CZ-CE1 3.48Å; F266-F330 HydrophobicContact CZ-CE1 3.48Å; F266-F330 VanDerWaalsContact CZ-CE1 3.48Å; F266-F330 HydrophobicContact CZ-CZ 4.02Å; I294-F330 HydrophobicContact CD1-CZ 4.18Å; I294-F330 HydrophobicContact CG2-CE2 4.35Å; I294-F330 HydrophobicContact CG2-CZ 4.31Å; F308-F330 HydrophobicContact CE1-CD1 4.28Å; F308-F330 AromaticContact CE1-CE1 3.6Å; F308-F330 HydrophobicContact CE1-CE1 3.6Å; F308-F330 HydrophobicContact CE1-CE2 4.02Å; F308-F330 AromaticContact CE1-CZ 3.45Å; F308-F330 HydrophobicContact CE1-CZ 3.45Å; F308-F330 VanDerWaalsContact CE1-CZ 3.45Å; F308-F330 HydrophobicContact CE2-CE2 4.42Å; F308-F330 AromaticContact CZ-CD1 3.92Å; F308-F330 HydrophobicContact CZ-CD1 3.92Å; F308-F330 AromaticContact CZ-CD2 3.84Å; F308-F330 HydrophobicContact CZ-CD2 3.84Å; F308-F330 AromaticContact CZ-CE1 3.65Å; F308-F330 HydrophobicContact CZ-CE1 3.65Å; F308-F330 AromaticContact CZ-CE2 3.59Å; F308-F330 HydrophobicContact CZ-CE2 3.59Å; F308-F330 AromaticContact CZ-CG 3.99Å; F308-F330 HydrophobicContact CZ-CG 3.99Å; F308-F330 AromaticContact CZ-CZ 3.48Å; F308-F330 HydrophobicContact CZ-CZ 3.48Å; F308-F330 VanDerWaalsContact CZ-CZ 3.48Å; I327-F330 HydrophobicContact CD1-CD2 4.41Å; I327-F330 PolarHBondContact O-N 3.12Å; F330-K332 VanDerWaalsContact C-N 3.32Å; F330-K332 PolarHBondContact O-N 3.27Å; F330-A333 CarbonylContact O-C 3.53Å; F330-A333 PolarHBondContact O-N 3.44Å; F330-G334 PolarHBondContact O-N 3.1Å; F330-W335 HydrophobicContact CB-CB 4.03Å; F330-W335 HydrophobicContact CB-CD2 4.41Å; F330-W335 HydrophobicContact CB-CG 4.2Å; F330-W335 AromaticContact CD1-CD2 3.8Å; F330-W335 HydrophobicContact CD1-CD2 3.8Å; F330-W335 AromaticContact CD1-CE3 3.58Å; F330-W335 HydrophobicContact CD1-CE3 3.58Å; F330-W335 HydrophobicContact CD1-CG 4.42Å; F330-W335 HydrophobicContact CD1-CH2 4.3Å; F330-W335 HydrophobicContact CD1-CZ2 4.5Å; F330-W335 AromaticContact CD1-CZ3 3.83Å; F330-W335 HydrophobicContact CD1-CZ3 3.83Å; F330-W335 HydrophobicContact CE1-CE3 4.24Å; F330-W335 HydrophobicContact CE1-CH2 4.31Å; F330-W335 HydrophobicContact CE1-CZ3 4.02Å; F330-W335 HydrophobicContact CG-CE3 4.46Å; F330-W335 WeakPolarHBondContact O-CB 3.03Å; F330-W335 PolarHBondContact O-N 2.83Å; F330-I337 HydrophobicContact CB-CD1 3.81Å; F330-L422 HydrophobicContact CD1-CD1 4.22Å; F330-L422 HydrophobicContact CE1-CD1 4.49Å
331	K	98.3	Very high	98.5	Very high	115 Å²	115	58.5 Å²	58.5	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-41	175.2	-65	178.8	-164.1	156.1	0	112.1	I327 D328 A333 G334 I337	I327-K331 PolarHBondContact O-N 2.78Å; I327-K331 VanDerWaalsContact O-N 3.14Å; D328-K331 WeakPolarHBondContact OD1-CD 3.45Å; D328-K331 IonicContact OD1-NZ 3.02Å; D328-K331 PolarHBondContact OD1-NZ 3.48Å; K331-A333 VanDerWaalsContact C-N 3.31Å; K331-G334 PolarHBondContact O-N 3.1Å; K331-I337 HydrophobicContact CG-CG1 4.47Å
332	K	98.3	Very high	98.5	Very high	181 Å²	181	59 Å²	59	79%	0.787	33%	0.326	S	S	*	.	H	α-helix	trans	-65.8	-35	177.2	-76	172.8	-177.3	177.1	0	112.1	D328 L329 F330 G334	D328-K332 WeakPolarHBondContact O-CB 3.31Å; D328-K332 WeakPolarHBondContact O-CG 3.37Å; D328-K332 PolarHBondContact O-N 3.23Å; L329-K332 PolarHBondContact O-N 3.02Å; F330-K332 VanDerWaalsContact C-N 3.32Å; F330-K332 PolarHBondContact O-N 3.27Å; K332-G334 PolarHBondContact O-N 3.23Å
333	A	98.1	Very high	98.5	Very high	26 Å²	26	59.2 Å²	59.2	22%	0.215	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	5.6	171.9	0	0	0	0	0	113.7	L329 F330 K331 W335 L422 D423	L329-A333 PolarHBondContact O-N 3.07Å; L329-A333 VanDerWaalsContact O-N 3.11Å; F330-A333 CarbonylContact O-C 3.53Å; F330-A333 PolarHBondContact O-N 3.44Å; K331-A333 VanDerWaalsContact C-N 3.31Å; A333-W335 VanDerWaalsContact C-N 3.35Å; A333-W335 PolarHBondContact O-N 3Å; A333-L422 HydrophobicContact CB-CD1 3.89Å; A333-D423 WeakPolarHBondContact CA-O 3.47Å
334	G	98.3	Very high	98.5	Very high	61 Å²	61	60.6 Å²	60.6	63%	0.629	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	18.3	178.2	0	0	0	0	0	115	F330 K331 K332	F330-G334 PolarHBondContact O-N 3.1Å; K331-G334 PolarHBondContact O-N 3.1Å; K332-G334 PolarHBondContact O-N 3.23Å
335	W	98.7	Very high	98.5	Very high	14 Å²	14	60.6 Å²	60.6	5%	0.053	33%	0.332	C	S	.	.			trans	-71.6	141.6	-179.9	-72.7	33.6	0	0	0	112.2	A261 F266 I310 G314 V316 F330 A333 I337 Y421 L422	A261-W335 HydrophobicContact CB-CH2 3.97Å; A261-W335 HydrophobicContact CB-CZ2 4.41Å; F266-W335 HydrophobicContact CE2-CH2 4.06Å; F266-W335 HydrophobicContact CZ-CH2 4.42Å; I310-W335 HydrophobicContact CD1-CH2 3.98Å; I310-W335 HydrophobicContact CD1-CZ3 3.97Å; I310-W335 HydrophobicContact CG1-CZ3 4.1Å; I310-W335 HydrophobicContact CG2-CH2 4.03Å; I310-W335 HydrophobicContact CG2-CZ3 3.77Å; G314-W335 CarbonylContact O-C 3.57Å; G314-W335 WeakPolarHBondContact O-CA 3.18Å; G314-W335 WeakPolarHBondContact O-CB 3.32Å; V316-W335 HydrophobicContact CB-CE3 4.18Å; V316-W335 HydrophobicContact CB-CZ3 4.3Å; V316-W335 HydrophobicContact CG1-CE3 4.05Å; F330-W335 HydrophobicContact CB-CB 4.03Å; F330-W335 HydrophobicContact CB-CD2 4.41Å; F330-W335 HydrophobicContact CB-CG 4.2Å; F330-W335 AromaticContact CD1-CD2 3.8Å; F330-W335 HydrophobicContact CD1-CD2 3.8Å; F330-W335 AromaticContact CD1-CE3 3.58Å; F330-W335 HydrophobicContact CD1-CE3 3.58Å; F330-W335 HydrophobicContact CD1-CG 4.42Å; F330-W335 HydrophobicContact CD1-CH2 4.3Å; F330-W335 HydrophobicContact CD1-CZ2 4.5Å; F330-W335 AromaticContact CD1-CZ3 3.83Å; F330-W335 HydrophobicContact CD1-CZ3 3.83Å; F330-W335 HydrophobicContact CE1-CE3 4.24Å; F330-W335 HydrophobicContact CE1-CH2 4.31Å; F330-W335 HydrophobicContact CE1-CZ3 4.02Å; F330-W335 HydrophobicContact CG-CE3 4.46Å; F330-W335 WeakPolarHBondContact O-CB 3.03Å; F330-W335 PolarHBondContact O-N 2.83Å; A333-W335 VanDerWaalsContact C-N 3.35Å; A333-W335 PolarHBondContact O-N 3Å; W335-I337 HydrophobicContact CB-CD1 4.07Å; W335-I337 PolarHBondContact O-N 3.34Å; W335-Y421 PolarHBondContact NE1-O 3Å; W335-L422 HydrophobicContact CZ2-CD1 4.22Å
336	T	98.6	Very high	98.5	Very high	80 Å²	80	57.7 Å²	57.7	49%	0.491	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	110.9	168.6	-58.7	0	0	0	0	109.6	G314 T315 V316 I338	G314-T336 PolarHBondContact O-N 3.22Å; T315-T336 WeakPolarHBondContact CA-O 3.43Å; V316-T336 PolarHBondContact N-O 3.3Å; V316-T336 VanDerWaalsContact N-O 3.07Å; T336-I338 HydrophobicContact CG2-CD1 4.3Å; T336-I338 HydrophobicContact CG2-CG1 3.9Å
337	I	98.8	Very high	98.4	Very high	49 Å²	49	59.7 Å²	59.7	25%	0.251	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.1	176.4	-47	-53.7	0	0	0	108.9	V316 I327 F330 K331 W335	V316-I337 HydrophobicContact CG1-CD1 3.39Å; I327-I337 HydrophobicContact CD1-CD1 3.86Å; I327-I337 HydrophobicContact CD1-CG1 3.94Å; I327-I337 HydrophobicContact CD1-CG2 3.87Å; I327-I337 HydrophobicContact CG1-CG1 4.34Å; I327-I337 HydrophobicContact CG1-CG2 4.5Å; F330-I337 HydrophobicContact CB-CD1 3.81Å; K331-I337 HydrophobicContact CG-CG1 4.47Å; W335-I337 HydrophobicContact CB-CD1 4.07Å; W335-I337 PolarHBondContact O-N 3.34Å
338	I	98.8	Very high	98.3	Very high	20 Å²	20	64.8 Å²	64.8	10%	0.103	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.7	-177.8	-55.6	-179.7	0	0	0	108.6	I311 T315 V316 L317 S318 T336 P340 M382 L386	I311-I338 HydrophobicContact CD1-CD1 4.43Å; T315-I338 HydrophobicContact CG2-CD1 3.65Å; T315-I338 HydrophobicContact CG2-CG1 4.35Å; V316-I338 PolarHBondContact O-N 2.96Å; L317-I338 CarbonylContact C-O 3.56Å; L317-I338 VanDerWaalsContact CA-O 3.29Å; L317-I338 WeakPolarHBondContact CA-O 3.39Å; L317-I338 HydrophobicContact CD2-CB 3.89Å; L317-I338 HydrophobicContact CD2-CG2 3.85Å; S318-I338 PolarHBondContact N-O 3.08Å; T336-I338 HydrophobicContact CG2-CD1 4.3Å; T336-I338 HydrophobicContact CG2-CG1 3.9Å; I338-P340 WeakPolarHBondContact O-CD 3.2Å; I338-M382 HydrophobicContact CG2-CG 4.33Å; I338-M382 HydrophobicContact CG2-SD 3.61Å; I338-L386 HydrophobicContact CD1-CD1 3.55Å; I338-L386 HydrophobicContact CD1-CD2 3.9Å; I338-L386 HydrophobicContact CD1-CG 4.38Å; I338-L386 HydrophobicContact CG2-CD1 4.49Å
339	T	98.6	Very high	98.3	Very high	88 Å²	88	61.9 Å²	61.9	54%	0.54	35%	0.348	S	S	.	.			trans	-92.7	112.5	173.1	-55.7	0	0	0	0	109	P320	P320-T339 HydrophobicContact CB-CG2 3.51Å; P320-T339 HydrophobicContact CG-CG2 3.84Å
340	P	98.4	Very high	98.3	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.026	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-69.5	154.9	179.9	29	-33	0	0	0	111.8	S318 I338 W357 M360 M382	S318-P340 VanDerWaalsContact O-CD 3.26Å; S318-P340 WeakPolarHBondContact O-CD 3.31Å; I338-P340 WeakPolarHBondContact O-CD 3.2Å; P340-W357 HydrophobicContact CG-CZ3 4.11Å; P340-M360 HydrophobicContact CB-CB 4.33Å; P340-M360 HydrophobicContact CG-CB 4.02Å; P340-M360 HydrophobicContact CG-CE 4.26Å; P340-M360 HydrophobicContact CG-CG 4.45Å; P340-M360 HydrophobicContact CG-SD 3.75Å; P340-M382 HydrophobicContact CB-CE 4.43Å; P340-M382 HydrophobicContact CB-SD 4.07Å
341	P	98.6	Very high	98.3	Very high	41 Å²	41	60.8 Å²	60.8	27%	0.266	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.4	158.5	174.7	29.2	-33.6	0	0	0	111.5	W357 P378	P341-W357 WeakPolarHBondContact O-CZ3 3.47Å; P341-P378 HydrophobicContact CB-CB 3.84Å; P341-P378 VanDerWaalsContact CG-C 3.46Å; P341-P378 HydrophobicContact CG-CB 3.7Å
342	T	98.4	Very high	98.3	Very high	104 Å²	104	56 Å²	56	64%	0.638	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-59.3	136.7	176.8	-50.4	0	0	0	0	111.1
343	P	98.6	Very high	98.3	Very high	16 Å²	16	47.7 Å²	47.7	10%	0.104	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-60.9	149	177	-16.6	26.8	0	0	0	112.3	I345 K356 W357 S359 E376	P343-I345 HydrophobicContact CB-CG2 4.3Å; P343-K356 HydrophobicContact CB-CB 3.95Å; P343-K356 WeakPolarHBondContact CB-O 3.5Å; P343-K356 VanDerWaalsContact CG-C 3.48Å; P343-K356 HydrophobicContact CG-CB 3.94Å; P343-K356 WeakPolarHBondContact CG-O 3.44Å; P343-W357 HydrophobicContact CG-CD2 3.92Å; P343-W357 HydrophobicContact CG-CE3 3.8Å; P343-W357 HydrophobicContact CG-CG 4.38Å; P343-W357 HydrophobicContact CG-CZ3 4.17Å; P343-S359 WeakPolarHBondContact CG-OG 3.35Å; P343-E376 WeakPolarHBondContact CA-OE2 3.48Å
344	I	98.6	Very high	98.2	Very high	88 Å²	88	47.5 Å²	47.5	45%	0.451	28%	0.284	S	S	.	.			trans	-110.8	9.3	177.6	59.4	160.6	0	0	0	113.7	N375 E376 P378	I344-N375 WeakPolarHBondContact CD1-O 3.13Å; I344-E376 VanDerWaalsContact CG1-OE2 3.25Å; I344-E376 WeakPolarHBondContact CG1-OE2 3.32Å; I344-E376 PolarHBondContact N-OE1 3.01Å; I344-E376 PolarHBondContact N-OE2 3.19Å; I344-P378 HydrophobicContact CD1-CG 4.42Å; I344-P378 HydrophobicContact CG2-CG 3.93Å
345	I	98.3	Very high	98.1	Very high	7 Å²	7	45 Å²	45	4%	0.036	26%	0.257	C	S	.	.			trans	-56.9	130.6	169	-168.5	164.8	0	0	0	111.2	P343 H349 L351 K356 E376	P343-I345 HydrophobicContact CB-CG2 4.3Å; I345-H349 HydrophobicContact CG1-CB 4.18Å; I345-L351 HydrophobicContact CD1-CD1 4.35Å; I345-L351 HydrophobicContact CD1-CD2 4.19Å; I345-K356 HydrophobicContact CG2-CB 3.56Å; I345-K356 HydrophobicContact CG2-CD 3.91Å; I345-K356 HydrophobicContact CG2-CG 3.59Å; I345-E376 PolarHBondContact N-OE1 2.98Å; I345-E376 VanDerWaalsContact N-OE1 3.1Å
346	P	98.3	Very high	98.1	Very high	57 Å²	57	47.7 Å²	47.7	37%	0.37	27%	0.269	S	S	.	.			trans	-61.4	142.9	179.7	-26.8	36.6	0	0	0	114	D348 H349	P346-D348 WeakPolarHBondContact CB-OD1 3.3Å; P346-D348 PolarHBondContact O-N 2.94Å; P346-H349 VanDerWaalsContact O-CB 3.3Å; P346-H349 WeakPolarHBondContact O-CB 3.41Å; P346-H349 PolarHBondContact O-N 2.97Å; P346-H349 VanDerWaalsContact O-N 3.11Å
347	D	96.7	Very high	98.1	Very high	110 Å²	110	44.5 Å²	44.5	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.3	-179.8	-69.9	40.9	0	0	0	114.1	K102 K356	K102-D347 PolarHBondContact NZ-O 2.95Å; D347-K356 WeakPolarHBondContact OD1-CE 3.38Å; D347-K356 IonicContact OD1-NZ 2.72Å; D347-K356 PolarHBondContact OD1-NZ 3Å; D347-K356 IonicContact OD2-NZ 3.76Å; D347-K356 PolarHBondContact OD2-NZ 3.25Å
348	D	96.3	Very high	98.1	Very high	138 Å²	138	42.7 Å²	42.7	74%	0.738	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-14.7	176.2	66.5	-27.9	0	0	0	112.8	P346	P346-D348 WeakPolarHBondContact CB-OD1 3.3Å; P346-D348 PolarHBondContact O-N 2.94Å
349	H	98.4	Very high	98.1	Very high	27 Å²	27	41.9 Å²	41.9	13%	0.125	24%	0.235	C	C	.	.	S	Bend	trans	-65.6	130.2	172.7	-173.2	76.7	0	0	0	110.5	I345 P346 L351 R396 S400	I345-H349 HydrophobicContact CG1-CB 4.18Å; P346-H349 VanDerWaalsContact O-CB 3.3Å; P346-H349 WeakPolarHBondContact O-CB 3.41Å; P346-H349 PolarHBondContact O-N 2.97Å; P346-H349 VanDerWaalsContact O-N 3.11Å; H349-L351 PolarHBondContact O-N 3.25Å; H349-R396 PolarHBondContact CE1-O 2.91Å; H349-R396 VanDerWaalsContact CE1-O 3.24Å; H349-R396 PolarHBondContact NE2-O 3.31Å; H349-S400 PolarHBondContact NE2-OG 2.95Å
350	P	98.3	Very high	98.1	Very high	37 Å²	37	37.7 Å²	37.7	24%	0.24	21%	0.209	C	C	.	.			trans	-70.5	124.5	-179.9	28.1	-33.8	0	0	0	110.9	W352 S400	P350-W352 HydrophobicContact CB-CZ2 4.5Å; P350-S400 WeakPolarHBondContact O-CA 3.43Å; P350-S400 WeakPolarHBondContact O-CB 3.31Å; P350-S400 PolarHBondContact O-OG 3.27Å
351	L	98.5	Very high	98.1	Very high	13 Å²	13	37.5 Å²	37.5	7%	0.068	21%	0.208	C	C	.	.			trans	-121.2	85.7	166	-67.2	177.2	0	0	0	107.6	Y103 I345 H349 M353 K356 L358 N399	Y103-L351 WeakPolarHBondContact CD2-O 3.25Å; Y103-L351 WeakPolarHBondContact CE2-O 3.14Å; Y103-L351 PolarHBondContact OH-N 3.2Å; Y103-L351 VanDerWaalsContact OH-N 3.14Å; I345-L351 HydrophobicContact CD1-CD1 4.35Å; I345-L351 HydrophobicContact CD1-CD2 4.19Å; H349-L351 PolarHBondContact O-N 3.25Å; L351-M353 PolarHBondContact O-N 3.3Å; L351-K356 HydrophobicContact CD1-CG 4.21Å; L351-L358 HydrophobicContact CD2-CD1 4.33Å; L351-N399 HydrophobicContact CD2-CB 4.08Å
352	W	98.6	Very high	98.2	Very high	14 Å²	14	35.6 Å²	35.6	5%	0.053	20%	0.196	C	C	.	.	S	Bend	trans	-60.9	-34.6	-174.9	-62.6	-60.5	0	0	0	111.5	Y103 F106 Y107 F115 P116 H119 P350 S400 L401	Y103-W352 AromaticContact CD1-CD1 3.96Å; F106-W352 AromaticContact CD1-CD1 3.67Å; F106-W352 HydrophobicContact CD1-CG 4.42Å; F106-W352 AromaticContact CE1-CD1 3.56Å; F106-W352 HydrophobicContact CE1-CD2 4.41Å; F106-W352 HydrophobicContact CE1-CG 4.02Å; F106-W352 AromaticContact CE1-NE1 3.72Å; F106-W352 AromaticContact CE2-NE1 3.77Å; F106-W352 AromaticContact CZ-CD1 3.94Å; F106-W352 HydrophobicContact CZ-CD2 4.43Å; F106-W352 AromaticContact CZ-CE2 3.93Å; F106-W352 HydrophobicContact CZ-CG 4.46Å; F106-W352 HydrophobicContact CZ-CZ2 4.45Å; F106-W352 AromaticContact CZ-NE1 3.58Å; Y107-W352 WeakPolarHBondContact OH-CB 3.44Å; Y107-W352 PolarHBondContact OH-O 3.42Å; F115-W352 HydrophobicContact CB-CZ3 4.38Å; F115-W352 AromaticContact CD1-CD2 3.62Å; F115-W352 HydrophobicContact CD1-CD2 3.62Å; F115-W352 AromaticContact CD1-CE3 3.27Å; F115-W352 HydrophobicContact CD1-CE3 3.27Å; F115-W352 HydrophobicContact CD1-CG 4.36Å; F115-W352 AromaticContact CD1-CH2 3.92Å; F115-W352 HydrophobicContact CD1-CH2 3.92Å; F115-W352 HydrophobicContact CD1-CZ2 4.19Å; F115-W352 AromaticContact CD1-CZ3 3.44Å; F115-W352 HydrophobicContact CD1-CZ3 3.44Å; F115-W352 VanDerWaalsContact CD1-CZ3 3.44Å; F115-W352 HydrophobicContact CE1-CB 4Å; F115-W352 AromaticContact CE1-CD2 3.49Å; F115-W352 HydrophobicContact CE1-CD2 3.49Å; F115-W352 VanDerWaalsContact CE1-CD2 3.49Å; F115-W352 AromaticContact CE1-CE3 3.33Å; F115-W352 HydrophobicContact CE1-CE3 3.33Å; F115-W352 AromaticContact CE1-CG 3.79Å; F115-W352 HydrophobicContact CE1-CG 3.79Å; F115-W352 HydrophobicContact CE1-CZ3 4.01Å; F115-W352 HydrophobicContact CG-CE3 4.31Å; F115-W352 HydrophobicContact CG-CZ3 4.17Å; F115-W352 HydrophobicContact CZ-CE3 4.39Å; P116-W352 HydrophobicContact CG-CH2 4.13Å; P116-W352 HydrophobicContact CG-CZ2 3.8Å; H119-W352 HydrophobicContact CB-CH2 4.01Å; H119-W352 AromaticContact CD2-CH2 3.7Å; H119-W352 AromaticContact CD2-CZ3 3.86Å; H119-W352 AromaticContact CG-CH2 3.65Å; P350-W352 HydrophobicContact CB-CZ2 4.5Å; W352-S400 VanDerWaalsContact CE3-O 3.23Å; W352-S400 PolarHBondContact N-O 3.43Å; W352-L401 HydrophobicContact CE3-CD2 4.1Å; W352-L401 HydrophobicContact CZ3-CD2 3.94Å
353	M	97.8	Very high	98.2	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.034	17%	0.165	C	C	.	.	S	Bend	trans	-126.5	165.2	171.9	-72.5	172.6	-72.9	0	0	109.9	T99 Y107 F115 L163 Y164 W186 L351 L401	T99-M353 HydrophobicContact CG2-CG 4.19Å; Y107-M353 WeakPolarHBondContact OH-CG 3.48Å; F115-M353 HydrophobicContact CZ-CE 4.14Å; L163-M353 HydrophobicContact CD1-CE 4.45Å; Y164-M353 HydrophobicContact CE2-CE 3.6Å; W186-M353 HydrophobicContact CH2-SD 3.88Å; W186-M353 HydrophobicContact CZ3-SD 3.99Å; L351-M353 PolarHBondContact O-N 3.3Å; M353-L401 WeakPolarHBondContact CE-O 3.17Å
354	S	96.3	Very high	98.2	Very high	22 Å²	22	30.1 Å²	30.1	15%	0.154	16%	0.161	C	C	.	.	S	Bend	trans	61.9	-167.5	-175.7	-160.6	0	0	0	0	113.9	Y100 L358 G402	Y100-S354 WeakPolarHBondContact CE2-O 3.32Å; S354-L358 VanDerWaalsContact OG-CD2 3.25Å; S354-L358 WeakPolarHBondContact OG-CD2 3.39Å; S354-G402 VanDerWaalsContact CB-O 3.26Å; S354-G402 WeakPolarHBondContact CB-O 3.4Å
355	S	97.7	Very high	98.2	Very high	9 Å²	9	26 Å²	26	6%	0.063	14%	0.14	C	C	.	.			trans	-131.1	177.9	-179	78.5	0	0	0	0	111.3	Y100 R322 W357 L358	Y100-S355 VanDerWaalsContact OH-CB 3.31Å; Y100-S355 WeakPolarHBondContact OH-CB 3.14Å; R322-S355 PolarHBondContact NH2-OG 3.23Å; R322-S355 VanDerWaalsContact NH2-OG 3.08Å; S355-W357 PolarHBondContact O-N 3.15Å; S355-W357 PolarHBondContact OG-N 3.35Å; S355-L358 WeakPolarHBondContact O-CG 3.4Å; S355-L358 PolarHBondContact O-N 2.74Å
356	K	98.2	Very high	98.2	Very high	71 Å²	71	27 Å²	27	31%	0.309	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-58.8	-19.1	177.3	-58.9	-172.4	-167.6	163.9	0	113.6	P343 I345 D347 L351 L358 S359	P343-K356 HydrophobicContact CB-CB 3.95Å; P343-K356 WeakPolarHBondContact CB-O 3.5Å; P343-K356 VanDerWaalsContact CG-C 3.48Å; P343-K356 HydrophobicContact CG-CB 3.94Å; P343-K356 WeakPolarHBondContact CG-O 3.44Å; I345-K356 HydrophobicContact CG2-CB 3.56Å; I345-K356 HydrophobicContact CG2-CD 3.91Å; I345-K356 HydrophobicContact CG2-CG 3.59Å; D347-K356 WeakPolarHBondContact OD1-CE 3.38Å; D347-K356 IonicContact OD1-NZ 2.72Å; D347-K356 PolarHBondContact OD1-NZ 3Å; D347-K356 IonicContact OD2-NZ 3.76Å; D347-K356 PolarHBondContact OD2-NZ 3.25Å; L351-K356 HydrophobicContact CD1-CG 4.21Å; K356-L358 PolarHBondContact O-N 2.68Å; K356-S359 PolarHBondContact O-N 3.25Å
357	W	98.7	Very high	98.3	Very high	13 Å²	13	28.4 Å²	28.4	5%	0.049	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-68	6	178.1	-71.8	112.6	0	0	0	114.7	N319 P320 D321 P340 P341 P343 S355 S359 M360	N319-W357 WeakPolarHBondContact ND2-CB 3.11Å; N319-W357 VanDerWaalsContact ND2-CD1 3.32Å; P320-W357 VanDerWaalsContact CD-CH2 3.43Å; P320-W357 HydrophobicContact CG-CH2 3.23Å; P320-W357 HydrophobicContact CG-CZ2 3.57Å; P320-W357 HydrophobicContact CG-CZ3 4.11Å; D321-W357 WeakPolarHBondContact OD2-CZ2 3.43Å; D321-W357 PolarHBondContact OD2-NE1 3.3Å; P340-W357 HydrophobicContact CG-CZ3 4.11Å; P341-W357 WeakPolarHBondContact O-CZ3 3.47Å; P343-W357 HydrophobicContact CG-CD2 3.92Å; P343-W357 HydrophobicContact CG-CE3 3.8Å; P343-W357 HydrophobicContact CG-CG 4.38Å; P343-W357 HydrophobicContact CG-CZ3 4.17Å; S355-W357 PolarHBondContact O-N 3.15Å; S355-W357 PolarHBondContact OG-N 3.35Å; W357-S359 PolarHBondContact O-N 2.93Å; W357-S359 VanDerWaalsContact O-N 3.07Å; W357-M360 HydrophobicContact CE3-CG 4.33Å; W357-M360 HydrophobicContact CE3-SD 4.05Å; W357-M360 WeakPolarHBondContact O-CG 3.17Å; W357-M360 PolarHBondContact O-N 3.11Å; W357-M360 VanDerWaalsContact O-N 3.1Å
358	L	98.8	Very high	98.4	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.052	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-55.9	-17.9	164	-68.5	-177.7	0	0	0	113.2	L351 S354 S355 K356 M360 N361 N399	L351-L358 HydrophobicContact CD2-CD1 4.33Å; S354-L358 VanDerWaalsContact OG-CD2 3.25Å; S354-L358 WeakPolarHBondContact OG-CD2 3.39Å; S355-L358 WeakPolarHBondContact O-CG 3.4Å; S355-L358 PolarHBondContact O-N 2.74Å; K356-L358 PolarHBondContact O-N 2.68Å; L358-M360 PolarHBondContact O-N 3.42Å; L358-N361 HydrophobicContact CD2-CB 4.11Å; L358-N361 WeakPolarHBondContact O-CB 3.38Å; L358-N361 PolarHBondContact O-N 2.7Å; L358-N399 HydrophobicContact CD1-CB 3.77Å; L358-N399 WeakPolarHBondContact CD1-O 3.3Å
359	S	98.7	Very high	98.5	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.028	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-57.1	-29.6	171.7	68.4	0	0	0	0	114.1	P343 K356 W357	P343-S359 WeakPolarHBondContact CG-OG 3.35Å; K356-S359 PolarHBondContact O-N 3.25Å; W357-S359 PolarHBondContact O-N 2.93Å; W357-S359 VanDerWaalsContact O-N 3.07Å
360	M	98.8	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-98.2	0.6	175.6	66	175.9	-70.5	0	0	113.5	N309 L317 N319 P340 W357 L358 V362	N309-M360 HydrophobicContact CB-CE 4.42Å; N309-M360 PolarHBondContact ND2-O 2.97Å; L317-M360 HydrophobicContact CB-CE 3.77Å; L317-M360 HydrophobicContact CD1-CB 4.26Å; L317-M360 VanDerWaalsContact O-CE 3.32Å; L317-M360 WeakPolarHBondContact O-CE 3.45Å; N319-M360 HydrophobicContact CB-CE 4.14Å; N319-M360 HydrophobicContact CB-SD 3.61Å; P340-M360 HydrophobicContact CB-CB 4.33Å; P340-M360 HydrophobicContact CG-CB 4.02Å; P340-M360 HydrophobicContact CG-CE 4.26Å; P340-M360 HydrophobicContact CG-CG 4.45Å; P340-M360 HydrophobicContact CG-SD 3.75Å; W357-M360 HydrophobicContact CE3-CG 4.33Å; W357-M360 HydrophobicContact CE3-SD 4.05Å; W357-M360 WeakPolarHBondContact O-CG 3.17Å; W357-M360 PolarHBondContact O-N 3.11Å; W357-M360 VanDerWaalsContact O-N 3.1Å; L358-M360 PolarHBondContact O-N 3.42Å; M360-V362 PolarHBondContact O-N 3.36Å
361	N	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.			trans	-80.7	56.6	174.9	-169	-109.8	0	0	0	110.9	D305 A306 L358 G404 F405 H406 C407	D305-N361 PolarHBondContact O-ND2 2.73Å; D305-N361 PolarHBondContact OD1-ND2 2.87Å; D305-N361 PolarHBondContact OD2-ND2 3.19Å; A306-N361 HydrophobicContact CB-CB 4.44Å; L358-N361 HydrophobicContact CD2-CB 4.11Å; L358-N361 WeakPolarHBondContact O-CB 3.38Å; L358-N361 PolarHBondContact O-N 2.7Å; N361-G404 CarbonylContact O-C 3.48Å; N361-G404 WeakPolarHBondContact OD1-CA 3.49Å; N361-G404 PolarHBondContact OD1-N 3.45Å; N361-G404 PolarHBondContact OD1-O 2.99Å; N361-F405 PolarHBondContact O-N 2.81Å; N361-H406 PolarHBondContact O-N 2.87Å; N361-H406 PolarHBondContact OD1-N 2.81Å; N361-C407 PolarHBondContact ND2-SG 2.95Å; N361-C407 PolarHBondContact OD1-N 3.17Å; N361-C407 VanDerWaalsContact OD1-N 3.14Å; N361-C407 PolarHBondContact OD1-SG 3.17Å
362	V	98.9	Very high	98.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	10%	0.1	C	C	.	.			trans	-84.5	158.4	-174.5	-62.6	0	0	0	0	112.3	N309 I311 L317 M360 V370 V372 F383 H406	N309-V362 PolarHBondContact ND2-N 2.82Å; N309-V362 PolarHBondContact ND2-O 3.06Å; I311-V362 HydrophobicContact CG2-CG2 4.1Å; L317-V362 HydrophobicContact CD1-CG2 4.12Å; M360-V362 PolarHBondContact O-N 3.36Å; V362-V370 HydrophobicContact CB-CG2 3.6Å; V362-V370 HydrophobicContact CG1-CG2 4.11Å; V362-V370 HydrophobicContact CG2-CG2 3.81Å; V362-V372 HydrophobicContact CG1-CB 4.28Å; V362-V372 HydrophobicContact CG1-CG2 4.1Å; V362-F383 HydrophobicContact CB-CZ 4.45Å; V362-F383 HydrophobicContact CG1-CE2 3.91Å; V362-F383 HydrophobicContact CG1-CZ 4.04Å; V362-F383 HydrophobicContact CG2-CZ 3.92Å; V362-H406 WeakPolarHBondContact O-CB 3.28Å
363	L	98.9	Very high	98.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.2	171.9	173.4	67.3	0	0	0	109.4	L75 L134 L365 M371 F405 T409	L75-L363 HydrophobicContact CD2-CD2 4.34Å; L134-L363 HydrophobicContact CD2-CD2 4.4Å; L363-L365 HydrophobicContact CD2-CD2 4.18Å; L363-L365 HydrophobicContact CG-CD2 4.32Å; L363-M371 HydrophobicContact CB-CB 4.37Å; L363-M371 PolarHBondContact N-O 2.75Å; L363-M371 PolarHBondContact O-N 2.93Å; L363-F405 HydrophobicContact CB-CB 3.67Å; L363-T409 HydrophobicContact CD2-CG2 3.97Å
364	M	98.9	Very high	98.6	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.02	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.5	170.6	-54.1	-58.8	-63.5	0	0	109.7	E71 W72 I311 D366 V370 I388 R414	E71-M364 WeakPolarHBondContact O-CB 3.25Å; W72-M364 HydrophobicContact CB-CB 4.32Å; W72-M364 HydrophobicContact CB-CG 4.47Å; I311-M364 HydrophobicContact CB-CE 4.41Å; I311-M364 HydrophobicContact CB-CG 3.96Å; I311-M364 HydrophobicContact CB-SD 3.74Å; I311-M364 HydrophobicContact CG2-CG 4.15Å; I311-M364 HydrophobicContact CG2-SD 3.91Å; I311-M364 WeakPolarHBondContact O-CE 3.25Å; M364-D366 VanDerWaalsContact CE-O 3.24Å; M364-D366 WeakPolarHBondContact CE-O 3.45Å; M364-V370 HydrophobicContact CE-CB 4.1Å; M364-V370 HydrophobicContact SD-CB 3.71Å; M364-V370 HydrophobicContact SD-CG2 3.55Å; M364-V370 VanDerWaalsContact SD-CG2 3.55Å; M364-I388 HydrophobicContact CE-CG2 4.13Å; M364-R414 PolarHBondContact O-NH1 3.37Å; M364-R414 PolarHBondContact O-NH2 3.31Å
365	L	98.9	Very high	98.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-30.7	168.7	-57.8	-164.5	0	0	0	111.4	P74 L75 L134 E137 L363 R369 I391	P74-L365 CarbonylContact C-O 3.45Å; P74-L365 WeakPolarHBondContact CA-O 3.38Å; L75-L365 WeakPolarHBondContact CB-O 3.47Å; L75-L365 HydrophobicContact CD2-CD2 3.75Å; L75-L365 PolarHBondContact N-O 3.03Å; L134-L365 HydrophobicContact CD2-CD2 3.73Å; E137-L365 HydrophobicContact CB-CD1 3.72Å; E137-L365 HydrophobicContact CG-CD1 3.7Å; L363-L365 HydrophobicContact CD2-CD2 4.18Å; L363-L365 HydrophobicContact CG-CD2 4.32Å; L365-R369 HydrophobicContact CB-CB 4.08Å; L365-R369 PolarHBondContact N-O 2.82Å; L365-I391 HydrophobicContact CD1-CD1 3.34Å; L365-I391 HydrophobicContact CG-CD1 4.13Å
366	D	98.9	Very high	98.8	Very high	29 Å²	29	24.2 Å²	24.2	16%	0.155	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	-177	162.5	54.9	53.2	0	0	0	108.2	W72 P74 M364 K368 R369	W72-D366 CarbonylContact O-C 3.51Å; W72-D366 VanDerWaalsContact O-C 3.24Å; W72-D366 WeakPolarHBondContact O-CA 3.47Å; P74-D366 HydrophobicContact CB-CB 4.35Å; P74-D366 HydrophobicContact CG-CB 4.17Å; M364-D366 VanDerWaalsContact CE-O 3.24Å; M364-D366 WeakPolarHBondContact CE-O 3.45Å; D366-K368 PolarHBondContact O-N 3.39Å; D366-K368 VanDerWaalsContact OD1-C 3.29Å; D366-K368 WeakPolarHBondContact OD1-CA 3.37Å; D366-K368 PolarHBondContact OD1-N 3.28Å; D366-R369 PolarHBondContact N-O 3.11Å; D366-R369 PolarHBondContact O-N 3.5Å; D366-R369 VanDerWaalsContact O-O 3.09Å; D366-R369 PolarHBondContact OD1-N 2.68Å; D366-R369 IonicContact OD1-NE 2.95Å; D366-R369 IonicContact OD2-CZ 3.55Å; D366-R369 IonicContact OD2-NE 3.46Å; D366-R369 PolarHBondContact OD2-NE 3.41Å; D366-R369 IonicContact OD2-NH2 3.79Å; D366-R369 PolarHBondContact OD2-NH2 3.4Å
367	E	98.8	Very high	98.8	Very high	86 Å²	86	24.2 Å²	24.2	40%	0.402	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-18.6	178.5	-64.5	-177.1	-151.6	0	0	115.1	W72	W72-E367 HydrophobicContact CB-CG 4.49Å; W72-E367 HydrophobicContact CG-CG 4.39Å; W72-E367 PolarHBondContact O-N 3.31Å
368	K	98.8	Very high	98.8	Very high	118 Å²	118	25.8 Å²	25.8	51%	0.513	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	3.4	-175.1	-60.7	-60.8	177.5	-166.6	0	113.8	D366 T389	D366-K368 PolarHBondContact O-N 3.39Å; D366-K368 VanDerWaalsContact OD1-C 3.29Å; D366-K368 WeakPolarHBondContact OD1-CA 3.37Å; D366-K368 PolarHBondContact OD1-N 3.28Å; K368-T389 VanDerWaalsContact O-CB 3.32Å; K368-T389 WeakPolarHBondContact O-CB 3.45Å; K368-T389 PolarHBondContact O-N 2.88Å; K368-T389 PolarHBondContact O-OG1 3.43Å
369	R	98.9	Very high	98.8	Very high	66 Å²	66	25.3 Å²	25.3	25%	0.249	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122	175.5	-71.1	-173.4	-64.3	154	3.1	110.3	E137 L365 D366 T389 I391	E137-R369 IonicContact OE2-CZ 3.75Å; E137-R369 IonicContact OE2-NH1 3.06Å; E137-R369 PolarHBondContact OE2-NH1 2.91Å; L365-R369 HydrophobicContact CB-CB 4.08Å; L365-R369 PolarHBondContact N-O 2.82Å; D366-R369 PolarHBondContact N-O 3.11Å; D366-R369 PolarHBondContact O-N 3.5Å; D366-R369 VanDerWaalsContact O-O 3.09Å; D366-R369 PolarHBondContact OD1-N 2.68Å; D366-R369 IonicContact OD1-NE 2.95Å; D366-R369 IonicContact OD2-CZ 3.55Å; D366-R369 IonicContact OD2-NE 3.46Å; D366-R369 PolarHBondContact OD2-NE 3.41Å; D366-R369 IonicContact OD2-NH2 3.79Å; D366-R369 PolarHBondContact OD2-NH2 3.4Å; R369-T389 WeakPolarHBondContact CA-O 3.45Å; R369-I391 HydrophobicContact CB-CD1 4.12Å
370	V	98.9	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.8	178.3	66.1	0	0	0	0	110.7	V362 M364 F383 I388 T389 T390 I391	V362-V370 HydrophobicContact CB-CG2 3.6Å; V362-V370 HydrophobicContact CG1-CG2 4.11Å; V362-V370 HydrophobicContact CG2-CG2 3.81Å; M364-V370 HydrophobicContact CE-CB 4.1Å; M364-V370 HydrophobicContact SD-CB 3.71Å; M364-V370 HydrophobicContact SD-CG2 3.55Å; M364-V370 VanDerWaalsContact SD-CG2 3.55Å; V370-F383 HydrophobicContact CG1-CB 4.04Å; V370-F383 HydrophobicContact CG1-CD1 3.94Å; V370-F383 HydrophobicContact CG1-CD2 3.81Å; V370-F383 HydrophobicContact CG1-CE1 4.3Å; V370-F383 HydrophobicContact CG1-CE2 4.18Å; V370-F383 HydrophobicContact CG1-CG 3.68Å; V370-F383 HydrophobicContact CG1-CZ 4.41Å; V370-F383 HydrophobicContact CG2-CE1 4.22Å; V370-F383 HydrophobicContact CG2-CE2 4.14Å; V370-F383 HydrophobicContact CG2-CZ 3.94Å; V370-I388 HydrophobicContact CB-CG2 3.87Å; V370-I388 HydrophobicContact CG1-CG2 3.61Å; V370-T389 PolarHBondContact N-O 2.92Å; V370-T390 HydrophobicContact CG1-CG2 4.1Å; V370-I391 PolarHBondContact O-N 3.18Å
371	M	98.9	Very high	98.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.9	166.3	-173.8	171	-73.9	0	0	109.3	M130 I133 L134 L363 I391 V393 F405	M130-M371 HydrophobicContact CE-SD 3.84Å; M130-M371 HydrophobicContact CG-SD 3.79Å; M130-M371 HydrophobicContact SD-SD 4.37Å; I133-M371 HydrophobicContact CG2-CE 3.97Å; L134-M371 HydrophobicContact CD2-CE 3.77Å; L134-M371 HydrophobicContact CG-CE 3.86Å; L363-M371 HydrophobicContact CB-CB 4.37Å; L363-M371 PolarHBondContact N-O 2.75Å; L363-M371 PolarHBondContact O-N 2.93Å; M371-I391 WeakPolarHBondContact CA-O 3.24Å; M371-I391 HydrophobicContact CE-CG2 4.22Å; M371-V393 HydrophobicContact CE-CG2 3.92Å; M371-V393 HydrophobicContact CG-CB 4.43Å; M371-V393 HydrophobicContact CG-CG2 3.83Å; M371-V393 HydrophobicContact SD-CG2 3.92Å; M371-F405 HydrophobicContact CB-CG 4.45Å; M371-F405 HydrophobicContact CG-CD1 3.52Å; M371-F405 HydrophobicContact CG-CD2 4.41Å; M371-F405 HydrophobicContact CG-CE1 3.75Å; M371-F405 HydrophobicContact CG-CG 3.87Å; M371-F405 HydrophobicContact CG-CZ 4.3Å; M371-F405 WeakPolarHBondContact O-CD2 3.47Å; M371-F405 HydrophobicContact SD-CD1 3.51Å; M371-F405 VanDerWaalsContact SD-CD1 3.51Å; M371-F405 HydrophobicContact SD-CE1 3.94Å; M371-F405 HydrophobicContact SD-CG 4.25Å
372	V	98.9	Very high	98.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154	-171.3	64	0	0	0	0	110.8	V362 A374 T379 Q380 F383 T390 I391 K392 V393	V362-V372 HydrophobicContact CG1-CB 4.28Å; V362-V372 HydrophobicContact CG1-CG2 4.1Å; V372-A374 PolarHBondContact O-N 3.1Å; V372-T379 HydrophobicContact CG2-CG2 3.97Å; V372-Q380 HydrophobicContact CG1-CG 3.82Å; V372-Q380 HydrophobicContact CG2-CG 4.33Å; V372-F383 HydrophobicContact CG2-CD2 4.4Å; V372-F383 HydrophobicContact CG2-CE2 4.21Å; V372-T390 HydrophobicContact CG1-CG2 3.94Å; V372-I391 PolarHBondContact N-O 3.31Å; V372-K392 WeakPolarHBondContact O-CA 3.46Å; V372-V393 PolarHBondContact O-N 2.58Å
373	D	98.8	Very high	98.8	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.6	-174.2	-174.2	-70.2	0	0	0	109.9	N375 E376 Q380 V393 N399 F405	D373-N375 PolarHBondContact O-N 2.92Å; D373-N375 VanDerWaalsContact O-N 3.16Å; D373-N375 WeakPolarHBondContact OD1-CA 3.4Å; D373-N375 VanDerWaalsContact OD1-CB 3.23Å; D373-N375 WeakPolarHBondContact OD1-CB 3.37Å; D373-N375 PolarHBondContact OD1-N 3.28Å; D373-N375 PolarHBondContact OD1-OD1 2.62Å; D373-E376 HydrophobicContact CB-CB 4.15Å; D373-E376 HydrophobicContact CB-CG 3.88Å; D373-E376 PolarHBondContact O-N 2.98Å; D373-E376 VanDerWaalsContact O-N 3.11Å; D373-E376 PolarHBondContact OD1-N 3.43Å; D373-Q380 PolarHBondContact O-NE2 3.45Å; D373-V393 CarbonylContact C-O 3.17Å; D373-V393 WeakPolarHBondContact CA-O 3.42Å; D373-N399 PolarHBondContact OD2-ND2 3.21Å; D373-F405 HydrophobicContact CB-CE2 4.07Å; D373-F405 HydrophobicContact CB-CZ 4.35Å
374	A	98.8	Very high	98.8	Very high	36 Å²	36	34.7 Å²	34.7	30%	0.298	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.8	-175.6	0	0	0	0	0	113.2	V372 Q380 K392 V393 N394	V372-A374 PolarHBondContact O-N 3.1Å; A374-Q380 PolarHBondContact O-NE2 3.03Å; A374-K392 HydrophobicContact CB-CB 4.12Å; A374-V393 PolarHBondContact N-O 3.28Å; A374-N394 HydrophobicContact CB-CB 4.14Å
375	N	98.7	Very high	98.8	Very high	59 Å²	59	43.2 Å²	43.2	32%	0.316	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-23.6	178.3	-53.3	122.3	0	0	0	112.9	I344 D373 V377 N394 R396	I344-N375 WeakPolarHBondContact CD1-O 3.13Å; D373-N375 PolarHBondContact O-N 2.92Å; D373-N375 VanDerWaalsContact O-N 3.16Å; D373-N375 WeakPolarHBondContact OD1-CA 3.4Å; D373-N375 VanDerWaalsContact OD1-CB 3.23Å; D373-N375 WeakPolarHBondContact OD1-CB 3.37Å; D373-N375 PolarHBondContact OD1-N 3.28Å; D373-N375 PolarHBondContact OD1-OD1 2.62Å; N375-V377 PolarHBondContact O-N 3.12Å; N375-N394 PolarHBondContact OD1-OD1 2.61Å; N375-R396 PolarHBondContact OD1-NH2 2.82Å
376	E	98.7	Very high	98.8	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	23%	0.229	C	C	.	.			trans	-81.1	62.4	-176.2	-67.2	-67.4	165	0	0	112.2	P343 I344 I345 D373 P378 T379 Q380	P343-E376 WeakPolarHBondContact CA-OE2 3.48Å; I344-E376 VanDerWaalsContact CG1-OE2 3.25Å; I344-E376 WeakPolarHBondContact CG1-OE2 3.32Å; I344-E376 PolarHBondContact N-OE1 3.01Å; I344-E376 PolarHBondContact N-OE2 3.19Å; I345-E376 PolarHBondContact N-OE1 2.98Å; I345-E376 VanDerWaalsContact N-OE1 3.1Å; D373-E376 HydrophobicContact CB-CB 4.15Å; D373-E376 HydrophobicContact CB-CG 3.88Å; D373-E376 PolarHBondContact O-N 2.98Å; D373-E376 VanDerWaalsContact O-N 3.11Å; D373-E376 PolarHBondContact OD1-N 3.43Å; E376-P378 VanDerWaalsContact C-CD 3.46Å; E376-T379 PolarHBondContact O-N 3.17Å; E376-T379 VanDerWaalsContact O-N 3.11Å; E376-Q380 WeakPolarHBondContact O-CG 3.5Å; E376-Q380 PolarHBondContact O-N 3.27Å
377	V	98.8	Very high	98.7	Very high	71 Å²	71	47.7 Å²	47.7	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-53.5	-41.9	-178.1	178.7	0	0	0	0	113.4	N375 T379 Q380 K381	N375-V377 PolarHBondContact O-N 3.12Å; V377-T379 VanDerWaalsContact C-N 3.34Å; V377-T379 PolarHBondContact O-N 2.8Å; V377-Q380 WeakPolarHBondContact O-CB 3.45Å; V377-Q380 PolarHBondContact O-N 3.12Å; V377-K381 HydrophobicContact CG1-CG 4.23Å; V377-K381 VanDerWaalsContact O-CG 3.31Å; V377-K381 WeakPolarHBondContact O-CG 3.44Å; V377-K381 PolarHBondContact O-N 3.21Å
378	P	98.8	Very high	98.7	Very high	47 Å²	47	44.3 Å²	44.3	31%	0.305	23%	0.231	S	C	.	.	H	α-helix	trans	-58.1	-45	176.3	-26	36.6	0	0	0	112.7	P341 I344 E376 K381 M382	P341-P378 HydrophobicContact CB-CB 3.84Å; P341-P378 VanDerWaalsContact CG-C 3.46Å; P341-P378 HydrophobicContact CG-CB 3.7Å; I344-P378 HydrophobicContact CD1-CG 4.42Å; I344-P378 HydrophobicContact CG2-CG 3.93Å; E376-P378 VanDerWaalsContact C-CD 3.46Å; P378-K381 PolarHBondContact O-N 3.48Å; P378-M382 PolarHBondContact O-N 2.9Å
379	T	98.6	Very high	98.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-40.9	177.3	-57.2	0	0	0	0	111.2	V372 E376 V377 K381 M382 F383	V372-T379 HydrophobicContact CG2-CG2 3.97Å; E376-T379 PolarHBondContact O-N 3.17Å; E376-T379 VanDerWaalsContact O-N 3.11Å; V377-T379 VanDerWaalsContact C-N 3.34Å; V377-T379 PolarHBondContact O-N 2.8Å; T379-K381 VanDerWaalsContact C-N 3.33Å; T379-K381 PolarHBondContact O-N 3.43Å; T379-M382 HydrophobicContact CG2-CE 4.29Å; T379-M382 WeakPolarHBondContact O-CB 3.4Å; T379-M382 PolarHBondContact O-N 3.47Å; T379-F383 HydrophobicContact CG2-CD2 4.05Å; T379-F383 HydrophobicContact CG2-CE2 3.62Å; T379-F383 VanDerWaalsContact O-CD2 3.24Å; T379-F383 WeakPolarHBondContact O-CD2 3.34Å; T379-F383 PolarHBondContact O-N 3.02Å
380	Q	98.8	Very high	98.8	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.028	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-45.8	173.4	-64.3	166.9	29.7	0	0	111.6	V372 D373 A374 E376 V377 M382 F383 E384 T390 K392	V372-Q380 HydrophobicContact CG1-CG 3.82Å; V372-Q380 HydrophobicContact CG2-CG 4.33Å; D373-Q380 PolarHBondContact O-NE2 3.45Å; A374-Q380 PolarHBondContact O-NE2 3.03Å; E376-Q380 WeakPolarHBondContact O-CG 3.5Å; E376-Q380 PolarHBondContact O-N 3.27Å; V377-Q380 WeakPolarHBondContact O-CB 3.45Å; V377-Q380 PolarHBondContact O-N 3.12Å; Q380-M382 VanDerWaalsContact C-N 3.28Å; Q380-M382 PolarHBondContact O-N 2.88Å; Q380-F383 PolarHBondContact O-N 3.03Å; Q380-E384 WeakPolarHBondContact O-CG 3.34Å; Q380-E384 PolarHBondContact O-N 3.48Å; Q380-T390 HydrophobicContact CB-CG2 4.23Å; Q380-K392 VanDerWaalsContact OE1-CD 3.32Å; Q380-K392 VanDerWaalsContact OE1-CE 3.23Å
381	K	98.8	Very high	98.8	Very high	101 Å²	101	41.6 Å²	41.6	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-31.4	179.5	-69.1	-73	160.6	-154.2	0	112.8	V377 P378 T379 E384 K385	V377-K381 HydrophobicContact CG1-CG 4.23Å; V377-K381 VanDerWaalsContact O-CG 3.31Å; V377-K381 WeakPolarHBondContact O-CG 3.44Å; V377-K381 PolarHBondContact O-N 3.21Å; P378-K381 PolarHBondContact O-N 3.48Å; T379-K381 VanDerWaalsContact C-N 3.33Å; T379-K381 PolarHBondContact O-N 3.43Å; K381-E384 VanDerWaalsContact CD-OE2 3.32Å; K381-E384 WeakPolarHBondContact CD-OE2 2.93Å; K381-E384 WeakPolarHBondContact CE-OE2 3.37Å; K381-E384 IonicContact NZ-OE1 2.75Å; K381-E384 IonicContact NZ-OE2 3.28Å; K381-E384 PolarHBondContact NZ-OE2 2.8Å; K381-K385 VanDerWaalsContact O-CG 3.26Å; K381-K385 WeakPolarHBondContact O-CG 3.48Å; K381-K385 PolarHBondContact O-N 3.16Å; K381-K385 VanDerWaalsContact O-N 3.17Å
382	M	98.8	Very high	98.7	Very high	27 Å²	27	46.1 Å²	46.1	13%	0.133	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-51.2	171.6	177.9	-163.4	72.5	0	0	110.6	L317 I338 P340 P378 T379 Q380 K385 L386	L317-M382 HydrophobicContact CD1-CE 4.48Å; L317-M382 HydrophobicContact CD2-CE 3.73Å; L317-M382 HydrophobicContact CD2-SD 4.37Å; I338-M382 HydrophobicContact CG2-CG 4.33Å; I338-M382 HydrophobicContact CG2-SD 3.61Å; P340-M382 HydrophobicContact CB-CE 4.43Å; P340-M382 HydrophobicContact CB-SD 4.07Å; P378-M382 PolarHBondContact O-N 2.9Å; T379-M382 HydrophobicContact CG2-CE 4.29Å; T379-M382 WeakPolarHBondContact O-CB 3.4Å; T379-M382 PolarHBondContact O-N 3.47Å; Q380-M382 VanDerWaalsContact C-N 3.28Å; Q380-M382 PolarHBondContact O-N 2.88Å; M382-K385 PolarHBondContact O-N 2.81Å; M382-L386 HydrophobicContact CG-CD1 4.17Å; M382-L386 WeakPolarHBondContact O-CG 3.23Å; M382-L386 PolarHBondContact O-N 3.11Å
383	F	98.9	Very high	98.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-43.1	178.3	-72.6	-63.7	0	0	0	113.2	I311 L317 V362 V370 V372 T379 Q380 K385 L386 G387 I388 T390	I311-F383 HydrophobicContact CD1-CE1 3.95Å; L317-F383 HydrophobicContact CD1-CE1 4.38Å; L317-F383 HydrophobicContact CD1-CZ 3.84Å; V362-F383 HydrophobicContact CB-CZ 4.45Å; V362-F383 HydrophobicContact CG1-CE2 3.91Å; V362-F383 HydrophobicContact CG1-CZ 4.04Å; V362-F383 HydrophobicContact CG2-CZ 3.92Å; V370-F383 HydrophobicContact CG1-CB 4.04Å; V370-F383 HydrophobicContact CG1-CD1 3.94Å; V370-F383 HydrophobicContact CG1-CD2 3.81Å; V370-F383 HydrophobicContact CG1-CE1 4.3Å; V370-F383 HydrophobicContact CG1-CE2 4.18Å; V370-F383 HydrophobicContact CG1-CG 3.68Å; V370-F383 HydrophobicContact CG1-CZ 4.41Å; V370-F383 HydrophobicContact CG2-CE1 4.22Å; V370-F383 HydrophobicContact CG2-CE2 4.14Å; V370-F383 HydrophobicContact CG2-CZ 3.94Å; V372-F383 HydrophobicContact CG2-CD2 4.4Å; V372-F383 HydrophobicContact CG2-CE2 4.21Å; T379-F383 HydrophobicContact CG2-CD2 4.05Å; T379-F383 HydrophobicContact CG2-CE2 3.62Å; T379-F383 VanDerWaalsContact O-CD2 3.24Å; T379-F383 WeakPolarHBondContact O-CD2 3.34Å; T379-F383 PolarHBondContact O-N 3.02Å; Q380-F383 PolarHBondContact O-N 3.03Å; F383-K385 VanDerWaalsContact C-N 3.27Å; F383-K385 PolarHBondContact O-N 3.07Å; F383-L386 HydrophobicContact CD1-CD1 4.48Å; F383-L386 CarbonylContact O-C 3.59Å; F383-L386 WeakPolarHBondContact O-CA 3.33Å; F383-L386 WeakPolarHBondContact O-CB 3.45Å; F383-L386 PolarHBondContact O-N 3.39Å; F383-G387 PolarHBondContact O-N 3.44Å; F383-I388 CarbonylContact C-O 3.53Å; F383-I388 HydrophobicContact CB-CB 4.17Å; F383-I388 HydrophobicContact CB-CG2 4.44Å; F383-I388 HydrophobicContact CD1-CB 4.25Å; F383-I388 HydrophobicContact CD1-CD1 3.98Å; F383-I388 HydrophobicContact CD1-CG2 4.18Å; F383-I388 PolarHBondContact O-N 2.9Å; F383-T390 HydrophobicContact CB-CG2 3.69Å
384	E	98.7	Very high	98.7	Very high	69 Å²	69	49.4 Å²	49.4	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-57.1	-40.8	176.6	-71.1	168.5	-170.4	0	0	111.4	Q380 K381 L386 G387 T390 K392	Q380-E384 WeakPolarHBondContact O-CG 3.34Å; Q380-E384 PolarHBondContact O-N 3.48Å; K381-E384 VanDerWaalsContact CD-OE2 3.32Å; K381-E384 WeakPolarHBondContact CD-OE2 2.93Å; K381-E384 WeakPolarHBondContact CE-OE2 3.37Å; K381-E384 IonicContact NZ-OE1 2.75Å; K381-E384 IonicContact NZ-OE2 3.28Å; K381-E384 PolarHBondContact NZ-OE2 2.8Å; E384-L386 VanDerWaalsContact C-N 3.31Å; E384-L386 PolarHBondContact O-N 3.1Å; E384-G387 PolarHBondContact O-N 2.9Å; E384-G387 VanDerWaalsContact O-N 3.12Å; E384-T390 HydrophobicContact CG-CG2 4.2Å; E384-K392 IonicContact OE1-NZ 3.77Å; E384-K392 PolarHBondContact OE1-NZ 2.73Å
385	K	98.5	Very high	98.7	Very high	183 Å²	183	47.7 Å²	47.7	80%	0.796	25%	0.254	S	S	*	.	H	α-helix	trans	-68.1	-27.2	175.7	-73.9	174.1	-177.8	-178	0	113.7	K381 M382 F383 G387	K381-K385 VanDerWaalsContact O-CG 3.26Å; K381-K385 WeakPolarHBondContact O-CG 3.48Å; K381-K385 PolarHBondContact O-N 3.16Å; K381-K385 VanDerWaalsContact O-N 3.17Å; M382-K385 PolarHBondContact O-N 2.81Å; F383-K385 VanDerWaalsContact C-N 3.27Å; F383-K385 PolarHBondContact O-N 3.07Å; K385-G387 PolarHBondContact O-N 3.22Å
386	L	98.1	Very high	98.7	Very high	72 Å²	72	46.7 Å²	46.7	38%	0.377	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.5	174.3	-64.1	164.7	0	0	0	112.4	I338 M382 F383 E384 I388	I338-L386 HydrophobicContact CD1-CD1 3.55Å; I338-L386 HydrophobicContact CD1-CD2 3.9Å; I338-L386 HydrophobicContact CD1-CG 4.38Å; I338-L386 HydrophobicContact CG2-CD1 4.49Å; M382-L386 HydrophobicContact CG-CD1 4.17Å; M382-L386 WeakPolarHBondContact O-CG 3.23Å; M382-L386 PolarHBondContact O-N 3.11Å; F383-L386 HydrophobicContact CD1-CD1 4.48Å; F383-L386 CarbonylContact O-C 3.59Å; F383-L386 WeakPolarHBondContact O-CA 3.33Å; F383-L386 WeakPolarHBondContact O-CB 3.45Å; F383-L386 PolarHBondContact O-N 3.39Å; E384-L386 VanDerWaalsContact C-N 3.31Å; E384-L386 PolarHBondContact O-N 3.1Å; L386-I388 VanDerWaalsContact C-N 3.31Å; L386-I388 HydrophobicContact CB-CD1 4.08Å; L386-I388 HydrophobicContact CB-CG1 4.2Å; L386-I388 HydrophobicContact CD1-CD1 4.48Å
387	G	98.5	Very high	98.7	Very high	50 Å²	50	47.8 Å²	47.8	52%	0.515	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	28.4	-174.5	0	0	0	0	0	112.9	F383 E384 K385	F383-G387 PolarHBondContact O-N 3.44Å; E384-G387 PolarHBondContact O-N 2.9Å; E384-G387 VanDerWaalsContact O-N 3.12Å; K385-G387 PolarHBondContact O-N 3.22Å
388	I	98.9	Very high	98.7	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.077	23%	0.231	C	C	.	.			trans	-105.3	121.5	176.1	-60	171.6	0	0	0	108.1	I311 M364 V370 F383 L386	I311-I388 HydrophobicContact CD1-CD1 4.46Å; M364-I388 HydrophobicContact CE-CG2 4.13Å; V370-I388 HydrophobicContact CB-CG2 3.87Å; V370-I388 HydrophobicContact CG1-CG2 3.61Å; F383-I388 CarbonylContact C-O 3.53Å; F383-I388 HydrophobicContact CB-CB 4.17Å; F383-I388 HydrophobicContact CB-CG2 4.44Å; F383-I388 HydrophobicContact CD1-CB 4.25Å; F383-I388 HydrophobicContact CD1-CD1 3.98Å; F383-I388 HydrophobicContact CD1-CG2 4.18Å; F383-I388 PolarHBondContact O-N 2.9Å; L386-I388 VanDerWaalsContact C-N 3.31Å; L386-I388 HydrophobicContact CB-CD1 4.08Å; L386-I388 HydrophobicContact CB-CG1 4.2Å; L386-I388 HydrophobicContact CD1-CD1 4.48Å
389	T	98.9	Very high	98.7	Very high	86 Å²	86	42.5 Å²	42.5	53%	0.528	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.9	178	-59.3	0	0	0	0	110.4	K368 R369 V370	K368-T389 VanDerWaalsContact O-CB 3.32Å; K368-T389 WeakPolarHBondContact O-CB 3.45Å; K368-T389 PolarHBondContact O-N 2.88Å; K368-T389 PolarHBondContact O-OG1 3.43Å; R369-T389 WeakPolarHBondContact CA-O 3.45Å; V370-T389 PolarHBondContact N-O 2.92Å
390	T	98.9	Very high	98.7	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.141	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.9	-179.3	53.5	0	0	0	0	111.5	V370 V372 Q380 F383 E384 K392	V370-T390 HydrophobicContact CG1-CG2 4.1Å; V372-T390 HydrophobicContact CG1-CG2 3.94Å; Q380-T390 HydrophobicContact CB-CG2 4.23Å; F383-T390 HydrophobicContact CB-CG2 3.69Å; E384-T390 HydrophobicContact CG-CG2 4.2Å; T390-K392 WeakPolarHBondContact OG1-CE 3.42Å
391	I	98.9	Very high	98.7	Very high	18 Å²	18	42.2 Å²	42.2	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	103.6	170	-62	160.3	0	0	0	107.1	I133 E137 L365 R369 V370 M371 V372 V393	I133-I391 HydrophobicContact CG2-CG2 3.54Å; E137-I391 HydrophobicContact CG-CD1 3.97Å; L365-I391 HydrophobicContact CD1-CD1 3.34Å; L365-I391 HydrophobicContact CG-CD1 4.13Å; R369-I391 HydrophobicContact CB-CD1 4.12Å; V370-I391 PolarHBondContact O-N 3.18Å; M371-I391 WeakPolarHBondContact CA-O 3.24Å; M371-I391 HydrophobicContact CE-CG2 4.22Å; V372-I391 PolarHBondContact N-O 3.31Å; I391-V393 HydrophobicContact CG2-CG2 4.29Å
392	K	98.8	Very high	98.7	Very high	95 Å²	95	37.8 Å²	37.8	41%	0.413	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.9	-167.6	-57.7	176	-168.9	-155.6	0	109.5	V372 A374 Q380 E384 T390	V372-K392 WeakPolarHBondContact O-CA 3.46Å; A374-K392 HydrophobicContact CB-CB 4.12Å; Q380-K392 VanDerWaalsContact OE1-CD 3.32Å; Q380-K392 VanDerWaalsContact OE1-CE 3.23Å; E384-K392 IonicContact OE1-NZ 3.77Å; E384-K392 PolarHBondContact OE1-NZ 2.73Å; T390-K392 WeakPolarHBondContact OG1-CE 3.42Å
393	V	98.8	Very high	98.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.7	179.5	-172.8	0	0	0	0	108.9	M130 I133 M371 V372 D373 A374 I391 I395 F405	M130-V393 HydrophobicContact CB-CG1 4Å; M130-V393 HydrophobicContact CG-CG1 4.47Å; I133-V393 HydrophobicContact CD1-CB 4.41Å; I133-V393 HydrophobicContact CD1-CG1 4.17Å; I133-V393 HydrophobicContact CD1-CG2 3.64Å; I133-V393 HydrophobicContact CG2-CG2 4.21Å; M371-V393 HydrophobicContact CE-CG2 3.92Å; M371-V393 HydrophobicContact CG-CB 4.43Å; M371-V393 HydrophobicContact CG-CG2 3.83Å; M371-V393 HydrophobicContact SD-CG2 3.92Å; V372-V393 PolarHBondContact O-N 2.58Å; D373-V393 CarbonylContact C-O 3.17Å; D373-V393 WeakPolarHBondContact CA-O 3.42Å; A374-V393 PolarHBondContact N-O 3.28Å; I391-V393 HydrophobicContact CG2-CG2 4.29Å; V393-I395 HydrophobicContact CG1-CG2 4.14Å; V393-F405 HydrophobicContact CB-CE1 3.74Å; V393-F405 HydrophobicContact CB-CZ 4.07Å; V393-F405 HydrophobicContact CG1-CE1 4.16Å; V393-F405 WeakPolarHBondContact O-CZ 3.29Å
394	N	98.8	Very high	98.7	Very high	71 Å²	71	36.5 Å²	36.5	38%	0.38	20%	0.195	S	C	.	.			trans	-92.6	116.2	175.8	-177.5	5.1	0	0	0	109.8	E126 A374 N375 R396	E126-N394 WeakPolarHBondContact CB-O 3.44Å; E126-N394 WeakPolarHBondContact CG-O 3.46Å; A374-N394 HydrophobicContact CB-CB 4.14Å; N375-N394 PolarHBondContact OD1-OD1 2.61Å; N394-R396 VanDerWaalsContact OD1-CB 3.23Å; N394-R396 WeakPolarHBondContact OD1-CB 3.45Å; N394-R396 PolarHBondContact OD1-N 3.47Å
395	I	98.8	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.			trans	-125.2	30.3	175.1	59	164.4	0	0	0	111.4	E126 I127 M130 V393 N397 A398 N399 F405	E126-I395 HydrophobicContact CB-CG2 4.43Å; E126-I395 WeakPolarHBondContact OE2-CA 3.25Å; I127-I395 HydrophobicContact CD1-CG2 4.11Å; M130-I395 HydrophobicContact SD-CG2 4.48Å; V393-I395 HydrophobicContact CG1-CG2 4.14Å; I395-N397 VanDerWaalsContact C-N 3.34Å; I395-N397 PolarHBondContact O-N 3.12Å; I395-A398 HydrophobicContact CB-CB 4.04Å; I395-A398 CarbonylContact O-C 3.57Å; I395-A398 WeakPolarHBondContact O-CB 3.46Å; I395-A398 PolarHBondContact O-N 2.84Å; I395-A398 VanDerWaalsContact O-N 3.12Å; I395-N399 WeakPolarHBondContact CD1-OD1 3.09Å; I395-N399 VanDerWaalsContact O-CG 3.3Å; I395-N399 PolarHBondContact O-N 3.2Å; I395-F405 HydrophobicContact CB-CE1 4.43Å; I395-F405 HydrophobicContact CD1-CD1 3.77Å; I395-F405 HydrophobicContact CD1-CD2 4.23Å; I395-F405 HydrophobicContact CD1-CE1 3.52Å; I395-F405 HydrophobicContact CD1-CE2 3.97Å; I395-F405 HydrophobicContact CD1-CG 4.13Å; I395-F405 HydrophobicContact CD1-CZ 3.64Å; I395-F405 HydrophobicContact CG1-CD1 4.49Å; I395-F405 HydrophobicContact CG1-CE1 3.75Å; I395-F405 HydrophobicContact CG1-CE2 4.27Å; I395-F405 HydrophobicContact CG1-CZ 3.63Å; I395-F405 HydrophobicContact CG2-CE1 3.84Å; I395-F405 HydrophobicContact CG2-CZ 4.43Å
396	R	98.6	Very high	98.7	Very high	37 Å²	37	24.9 Å²	24.9	14%	0.14	14%	0.143	C	C	.	.	H	α-helix	trans	-55.8	-43.2	-171.9	178.5	58.6	63.7	82.4	-3.6	113.4	E126 H349 N375 N394 N399	E126-R396 PolarHBondContact OE1-N 2.9Å; E126-R396 PolarHBondContact OE2-N 3.33Å; H349-R396 PolarHBondContact CE1-O 2.91Å; H349-R396 VanDerWaalsContact CE1-O 3.24Å; H349-R396 PolarHBondContact NE2-O 3.31Å; N375-R396 PolarHBondContact OD1-NH2 2.82Å; N394-R396 VanDerWaalsContact OD1-CB 3.23Å; N394-R396 WeakPolarHBondContact OD1-CB 3.45Å; N394-R396 PolarHBondContact OD1-N 3.47Å; R396-N399 WeakPolarHBondContact O-CB 3.48Å
397	N	98.8	Very high	98.8	Very high	28 Å²	28	21.5 Å²	21.5	15%	0.15	13%	0.125	C	C	.	.	H	α-helix	trans	-75.9	-36	179	-63.8	-91.8	0	0	0	111.1	H119 K122 A123 E126 I395 N399 S400	H119-N397 PolarHBondContact CD2-O 3.47Å; H119-N397 PolarHBondContact NE2-O 2.93Å; K122-N397 HydrophobicContact CB-CB 3.76Å; K122-N397 VanDerWaalsContact CD-OD1 3.32Å; K122-N397 WeakPolarHBondContact CD-OD1 3.34Å; A123-N397 HydrophobicContact CB-CB 4.49Å; E126-N397 PolarHBondContact OE1-N 2.91Å; E126-N397 PolarHBondContact OE1-ND2 3.35Å; E126-N397 WeakPolarHBondContact OE2-CA 3.3Å; E126-N397 WeakPolarHBondContact OE2-CB 3.43Å; E126-N397 PolarHBondContact OE2-N 2.78Å; I395-N397 VanDerWaalsContact C-N 3.34Å; I395-N397 PolarHBondContact O-N 3.12Å; N397-N399 VanDerWaalsContact C-N 3.33Å; N397-N399 PolarHBondContact O-N 2.85Å; N397-S400 VanDerWaalsContact O-CB 3.25Å; N397-S400 WeakPolarHBondContact O-CB 3.36Å; N397-S400 PolarHBondContact O-N 3.49Å; N397-S400 PolarHBondContact O-OG 3.48Å
398	A	98.8	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-35.1	172	0	0	0	0	0	113.1	A123 E126 I127 I395 S400 L401 W408	A123-A398 HydrophobicContact CB-CB 4.07Å; E126-A398 PolarHBondContact OE2-N 3.37Å; I127-A398 HydrophobicContact CD1-CB 3.83Å; I127-A398 HydrophobicContact CG1-CB 3.89Å; I395-A398 HydrophobicContact CB-CB 4.04Å; I395-A398 CarbonylContact O-C 3.57Å; I395-A398 WeakPolarHBondContact O-CB 3.46Å; I395-A398 PolarHBondContact O-N 2.84Å; I395-A398 VanDerWaalsContact O-N 3.12Å; A398-S400 PolarHBondContact O-N 3.13Å; A398-S400 VanDerWaalsContact O-N 3.12Å; A398-L401 WeakPolarHBondContact O-CB 3.32Å; A398-L401 PolarHBondContact O-N 3.47Å; A398-W408 HydrophobicContact CB-CH2 4.22Å; A398-W408 HydrophobicContact CB-CZ2 3.47Å; A398-W408 VanDerWaalsContact CB-CZ2 3.47Å
399	N	98.8	Very high	98.8	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-55.1	-31.2	173.8	-74.2	-20.6	0	0	0	112.5	L351 L358 D373 I395 R396 N397 L401 G402 G403	L351-N399 HydrophobicContact CD2-CB 4.08Å; L358-N399 HydrophobicContact CD1-CB 3.77Å; L358-N399 WeakPolarHBondContact CD1-O 3.3Å; D373-N399 PolarHBondContact OD2-ND2 3.21Å; I395-N399 WeakPolarHBondContact CD1-OD1 3.09Å; I395-N399 VanDerWaalsContact O-CG 3.3Å; I395-N399 PolarHBondContact O-N 3.2Å; R396-N399 WeakPolarHBondContact O-CB 3.48Å; N397-N399 VanDerWaalsContact C-N 3.33Å; N397-N399 PolarHBondContact O-N 2.85Å; N399-L401 PolarHBondContact O-N 3.35Å; N399-L401 VanDerWaalsContact O-N 3.17Å; N399-G402 PolarHBondContact O-N 3.14Å; N399-G403 WeakPolarHBondContact CA-O 3.42Å; N399-G403 PolarHBondContact OD1-O 3.3Å; N399-G403 VanDerWaalsContact OD1-O 3.12Å
400	S	98.8	Very high	98.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.1	178.5	-55.5	0	0	0	0	113.6	H119 H349 P350 W352 N397 A398 G402	H119-S400 PolarHBondContact CE1-OG 3.3Å; H119-S400 WeakPolarHBondContact NE2-CB 3.38Å; H119-S400 PolarHBondContact NE2-OG 3.39Å; H349-S400 PolarHBondContact NE2-OG 2.95Å; P350-S400 WeakPolarHBondContact O-CA 3.43Å; P350-S400 WeakPolarHBondContact O-CB 3.31Å; P350-S400 PolarHBondContact O-OG 3.27Å; W352-S400 VanDerWaalsContact CE3-O 3.23Å; W352-S400 PolarHBondContact N-O 3.43Å; N397-S400 VanDerWaalsContact O-CB 3.25Å; N397-S400 WeakPolarHBondContact O-CB 3.36Å; N397-S400 PolarHBondContact O-N 3.49Å; N397-S400 PolarHBondContact O-OG 3.48Å; A398-S400 PolarHBondContact O-N 3.13Å; A398-S400 VanDerWaalsContact O-N 3.12Å; S400-G402 PolarHBondContact O-N 3.21Å
401	L	98.8	Very high	98.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.9	175.2	-61.5	179.2	0	0	0	113.1	A83 A86 F115 L120 Y164 A166 M167 W352 M353 A398 N399 W408	A83-L401 HydrophobicContact CB-CD1 3.98Å; A86-L401 HydrophobicContact CB-CD2 4.5Å; F115-L401 HydrophobicContact CD1-CD2 4.32Å; F115-L401 HydrophobicContact CD2-CD2 4.03Å; F115-L401 HydrophobicContact CE2-CD2 4.22Å; F115-L401 HydrophobicContact CG-CD2 4.08Å; F115-L401 HydrophobicContact CZ-CD2 4.47Å; L120-L401 HydrophobicContact CD2-CD1 4.05Å; L120-L401 HydrophobicContact CD2-CD2 3.98Å; Y164-L401 PolarHBondContact OH-O 2.75Å; A166-L401 HydrophobicContact CB-CD1 4.38Å; M167-L401 HydrophobicContact CE-CB 4.04Å; M167-L401 WeakPolarHBondContact CE-O 3.4Å; W352-L401 HydrophobicContact CE3-CD2 4.1Å; W352-L401 HydrophobicContact CZ3-CD2 3.94Å; M353-L401 WeakPolarHBondContact CE-O 3.17Å; A398-L401 WeakPolarHBondContact O-CB 3.32Å; A398-L401 PolarHBondContact O-N 3.47Å; N399-L401 PolarHBondContact O-N 3.35Å; N399-L401 VanDerWaalsContact O-N 3.17Å; L401-W408 HydrophobicContact CB-CZ2 4.27Å; L401-W408 HydrophobicContact CD1-CH2 3.93Å; L401-W408 HydrophobicContact CD1-CZ2 3.97Å
402	G	98.1	Very high	98.8	Very high	9 Å²	9	12.4 Å²	12.4	9%	0.093	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.3	12.7	166.4	0	0	0	0	0	116.5	S354 N399 S400	S354-G402 VanDerWaalsContact CB-O 3.26Å; S354-G402 WeakPolarHBondContact CB-O 3.4Å; N399-G402 PolarHBondContact O-N 3.14Å; S400-G402 PolarHBondContact O-N 3.21Å
403	G	98.4	Very high	98.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.			trans	-151.9	149.6	-173.9	0	0	0	0	0	113.6	M167 N399 W408	M167-G403 VanDerWaalsContact CE-N 3.27Å; N399-G403 WeakPolarHBondContact CA-O 3.42Å; N399-G403 PolarHBondContact OD1-O 3.3Å; N399-G403 VanDerWaalsContact OD1-O 3.12Å; G403-W408 PolarHBondContact O-NE1 3.28Å
404	G	98.7	Very high	98.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.			trans	-99.9	-161.7	168.3	0	0	0	0	0	110.4	N361 H406 C407 W408	N361-G404 CarbonylContact O-C 3.48Å; N361-G404 WeakPolarHBondContact OD1-CA 3.49Å; N361-G404 PolarHBondContact OD1-N 3.45Å; N361-G404 PolarHBondContact OD1-O 2.99Å; G404-H406 VanDerWaalsContact C-N 3.27Å; G404-H406 PolarHBondContact O-N 3.27Å; G404-C407 PolarHBondContact O-N 3.03Å; G404-C407 VanDerWaalsContact O-N 3.17Å; G404-W408 WeakPolarHBondContact O-CB 3.17Å; G404-W408 PolarHBondContact O-N 2.6Å
405	F	98.9	Very high	98.8	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.018	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37	-172	-54.5	-75.7	0	0	0	113.9	M130 N361 L363 M371 D373 V393 I395 T409	M130-F405 HydrophobicContact CE-CB 4.34Å; M130-F405 HydrophobicContact CE-CD1 3.9Å; M130-F405 HydrophobicContact SD-CD1 3.92Å; M130-F405 HydrophobicContact SD-CE1 4.43Å; N361-F405 PolarHBondContact O-N 2.81Å; L363-F405 HydrophobicContact CB-CB 3.67Å; M371-F405 HydrophobicContact CB-CG 4.45Å; M371-F405 HydrophobicContact CG-CD1 3.52Å; M371-F405 HydrophobicContact CG-CD2 4.41Å; M371-F405 HydrophobicContact CG-CE1 3.75Å; M371-F405 HydrophobicContact CG-CG 3.87Å; M371-F405 HydrophobicContact CG-CZ 4.3Å; M371-F405 WeakPolarHBondContact O-CD2 3.47Å; M371-F405 HydrophobicContact SD-CD1 3.51Å; M371-F405 VanDerWaalsContact SD-CD1 3.51Å; M371-F405 HydrophobicContact SD-CE1 3.94Å; M371-F405 HydrophobicContact SD-CG 4.25Å; D373-F405 HydrophobicContact CB-CE2 4.07Å; D373-F405 HydrophobicContact CB-CZ 4.35Å; V393-F405 HydrophobicContact CB-CE1 3.74Å; V393-F405 HydrophobicContact CB-CZ 4.07Å; V393-F405 HydrophobicContact CG1-CE1 4.16Å; V393-F405 WeakPolarHBondContact O-CZ 3.29Å; I395-F405 HydrophobicContact CB-CE1 4.43Å; I395-F405 HydrophobicContact CD1-CD1 3.77Å; I395-F405 HydrophobicContact CD1-CD2 4.23Å; I395-F405 HydrophobicContact CD1-CE1 3.52Å; I395-F405 HydrophobicContact CD1-CE2 3.97Å; I395-F405 HydrophobicContact CD1-CG 4.13Å; I395-F405 HydrophobicContact CD1-CZ 3.64Å; I395-F405 HydrophobicContact CG1-CD1 4.49Å; I395-F405 HydrophobicContact CG1-CE1 3.75Å; I395-F405 HydrophobicContact CG1-CE2 4.27Å; I395-F405 HydrophobicContact CG1-CZ 3.63Å; I395-F405 HydrophobicContact CG2-CE1 3.84Å; I395-F405 HydrophobicContact CG2-CZ 4.43Å; F405-T409 WeakPolarHBondContact O-CG2 3.34Å; F405-T409 PolarHBondContact O-N 2.9Å; F405-T409 PolarHBondContact O-OG1 3.01Å
406	H	98.9	Very high	98.7	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.014	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-45.3	179	-169.7	-98.6	0	0	0	111.7	E71 R169 D305 N361 V362 G404 T409	E71-H406 IonicContact OE2-NE2 2.72Å; R169-H406 WeakPolarHBondContact CB-O 3.49Å; R169-H406 WeakPolarHBondContact CD-CE1 2.94Å; R169-H406 PolarHBondContact NE-CE1 3.21Å; R169-H406 PolarHBondContact NE-O 3.01Å; R169-H406 VanDerWaalsContact NE-O 3.13Å; D305-H406 VanDerWaalsContact CB-ND1 3.26Å; D305-H406 WeakPolarHBondContact CB-ND1 3.45Å; D305-H406 IonicContact OD2-CE1 3.19Å; D305-H406 IonicContact OD2-CG 2.84Å; D305-H406 IonicContact OD2-ND1 3.87Å; D305-H406 PolarHBondContact OD2-ND1 3.44Å; N361-H406 PolarHBondContact O-N 2.87Å; N361-H406 PolarHBondContact OD1-N 2.81Å; V362-H406 WeakPolarHBondContact O-CB 3.28Å; G404-H406 VanDerWaalsContact C-N 3.27Å; G404-H406 PolarHBondContact O-N 3.27Å; H406-T409 PolarHBondContact O-N 3.21Å; H406-T409 PolarHBondContact O-OG1 2.82Å
407	C	98.8	Very high	98.7	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-42.8	177	-57.6	0	0	0	0	112.1	M167 R169 D305 N361 G404 T409	M167-C407 CarbonylContact C-O 3.56Å; M167-C407 WeakPolarHBondContact CA-O 3.09Å; M167-C407 HydrophobicContact CG-CB 4.35Å; M167-C407 HydrophobicContact SD-CB 3.63Å; R169-C407 WeakPolarHBondContact CB-O 3.25Å; R169-C407 PolarHBondContact N-O 3.37Å; D305-C407 PolarHBondContact OD2-SG 3.26Å; N361-C407 PolarHBondContact ND2-SG 2.95Å; N361-C407 PolarHBondContact OD1-N 3.17Å; N361-C407 VanDerWaalsContact OD1-N 3.14Å; N361-C407 PolarHBondContact OD1-SG 3.17Å; G404-C407 PolarHBondContact O-N 3.03Å; G404-C407 VanDerWaalsContact O-N 3.17Å; C407-T409 PolarHBondContact O-N 2.96Å
408	W	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-5.1	180	-83.9	94.6	0	0	0	113.9	V80 G81 A83 I127 A166 M167 P168 A398 L401 G403 G404	V80-W408 WeakPolarHBondContact CA-O 3.21Å; G81-W408 PolarHBondContact N-O 3.39Å; A83-W408 HydrophobicContact CB-CH2 3.98Å; I127-W408 HydrophobicContact CB-CZ3 4.37Å; I127-W408 HydrophobicContact CD1-CD2 3.46Å; I127-W408 VanDerWaalsContact CD1-CD2 3.46Å; I127-W408 HydrophobicContact CD1-CE3 3.44Å; I127-W408 VanDerWaalsContact CD1-CE3 3.44Å; I127-W408 HydrophobicContact CD1-CG 3.98Å; I127-W408 HydrophobicContact CD1-CH2 4.18Å; I127-W408 HydrophobicContact CD1-CZ2 4.2Å; I127-W408 HydrophobicContact CD1-CZ3 3.82Å; I127-W408 HydrophobicContact CG1-CD2 4.15Å; I127-W408 HydrophobicContact CG1-CE3 3.73Å; I127-W408 HydrophobicContact CG1-CH2 3.81Å; I127-W408 HydrophobicContact CG1-CZ2 4.21Å; I127-W408 HydrophobicContact CG1-CZ3 3.55Å; I127-W408 HydrophobicContact CG2-CE3 4.14Å; I127-W408 HydrophobicContact CG2-CZ3 4.14Å; A166-W408 HydrophobicContact CB-CE3 4.37Å; A166-W408 HydrophobicContact CB-CH2 3.62Å; A166-W408 HydrophobicContact CB-CZ2 4.06Å; A166-W408 HydrophobicContact CB-CZ3 3.79Å; M167-W408 HydrophobicContact CE-CD2 4.4Å; M167-W408 HydrophobicContact CE-CZ2 4.06Å; M167-W408 HydrophobicContact SD-CD2 4.13Å; M167-W408 HydrophobicContact SD-CG 3.99Å; P168-W408 WeakPolarHBondContact CD-O 3.47Å; A398-W408 HydrophobicContact CB-CH2 4.22Å; A398-W408 HydrophobicContact CB-CZ2 3.47Å; A398-W408 VanDerWaalsContact CB-CZ2 3.47Å; L401-W408 HydrophobicContact CB-CZ2 4.27Å; L401-W408 HydrophobicContact CD1-CH2 3.93Å; L401-W408 HydrophobicContact CD1-CZ2 3.97Å; G403-W408 PolarHBondContact O-NE1 3.28Å; G404-W408 WeakPolarHBondContact O-CB 3.17Å; G404-W408 PolarHBondContact O-N 2.6Å
409	T	99	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156	-176.1	59.7	0	0	0	0	114.2	V78 I79 V80 M130 R169 L363 F405 H406 C407	V78-T409 HydrophobicContact CG2-CG2 3.89Å; I79-T409 CarbonylContact O-C 3.54Å; I79-T409 WeakPolarHBondContact O-CA 3.23Å; V80-T409 HydrophobicContact CG2-CG2 4.1Å; M130-T409 HydrophobicContact CE-CG2 3.43Å; M130-T409 VanDerWaalsContact CE-CG2 3.43Å; R169-T409 WeakPolarHBondContact CB-O 3.29Å; R169-T409 PolarHBondContact N-O 2.89Å; R169-T409 PolarHBondContact NE-O 2.95Å; R169-T409 PolarHBondContact NH2-O 3.4Å; R169-T409 VanDerWaalsContact NH2-O 3.16Å; L363-T409 HydrophobicContact CD2-CG2 3.97Å; F405-T409 WeakPolarHBondContact O-CG2 3.34Å; F405-T409 PolarHBondContact O-N 2.9Å; F405-T409 PolarHBondContact O-OG1 3.01Å; H406-T409 PolarHBondContact O-N 3.21Å; H406-T409 PolarHBondContact O-OG1 2.82Å; C407-T409 PolarHBondContact O-N 2.96Å
410	C	98.9	Very high	98.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.9	162.2	178.8	0	0	0	0	107.1	V78 I79 P168 L172 V412	V78-C410 WeakPolarHBondContact CA-O 3.35Å; V78-C410 WeakPolarHBondContact CG2-O 3.23Å; I79-C410 HydrophobicContact CB-CB 4.37Å; I79-C410 PolarHBondContact N-O 2.83Å; I79-C410 PolarHBondContact O-N 2.87Å; P168-C410 HydrophobicContact CB-CB 3.69Å; L172-C410 HydrophobicContact CB-CB 4.34Å; L172-C410 PolarHBondContact O-SG 3.43Å; C410-V412 PolarHBondContact O-N 3.24Å
411	D	98.9	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	111.9	179.4	56.9	-66.4	0	0	0	110.3	S68 L75 R169 R260 R414	S68-D411 PolarHBondContact OG-OD2 3.05Å; L75-D411 HydrophobicContact CD1-CB 3.46Å; L75-D411 VanDerWaalsContact CD1-CB 3.46Å; R169-D411 IonicContact CZ-OD1 2.83Å; R169-D411 VanDerWaalsContact CZ-OD1 3.23Å; R169-D411 IonicContact NH1-OD1 3.93Å; R169-D411 PolarHBondContact NH1-OD1 2.71Å; R169-D411 IonicContact NH2-OD1 3.25Å; R169-D411 PolarHBondContact NH2-OD1 2.84Å; R260-D411 IonicContact CZ-OD2 3.58Å; R260-D411 IonicContact NH1-OD2 3.47Å; R260-D411 VanDerWaalsContact NH2-CG 3.29Å; R260-D411 IonicContact NH2-OD1 3.67Å; R260-D411 PolarHBondContact NH2-OD1 3.25Å; R260-D411 VanDerWaalsContact NH2-OD1 3.17Å; R260-D411 IonicContact NH2-OD2 2.77Å; R260-D411 PolarHBondContact NH2-OD2 3.28Å; D411-R414 HydrophobicContact CB-CG 4.48Å; D411-R414 WeakPolarHBondContact OD2-CD 3.3Å; D411-R414 IonicContact OD2-CZ 3.27Å; D411-R414 IonicContact OD2-NE 2.68Å; D411-R414 PolarHBondContact OD2-NE 3.1Å
412	V	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-39.1	-174.2	176.4	0	0	0	0	111	V66 S67 E77 I79 Y203 C410	V66-V412 WeakPolarHBondContact CA-O 3.38Å; V66-V412 HydrophobicContact CB-CG1 4.26Å; V66-V412 HydrophobicContact CG1-CG1 4.43Å; V66-V412 HydrophobicContact CG2-CG1 3.76Å; S67-V412 PolarHBondContact N-O 2.73Å; E77-V412 HydrophobicContact CB-CB 4.43Å; E77-V412 HydrophobicContact CG-CB 4.32Å; E77-V412 PolarHBondContact O-N 3.14Å; I79-V412 HydrophobicContact CD1-CG2 3.88Å; I79-V412 HydrophobicContact CG1-CG2 3.77Å; Y203-V412 HydrophobicContact CD2-CG1 4.37Å; Y203-V412 HydrophobicContact CE1-CG1 4.18Å; Y203-V412 HydrophobicContact CE2-CB 4.48Å; Y203-V412 HydrophobicContact CE2-CG1 3.74Å; Y203-V412 HydrophobicContact CE2-CG2 3.94Å; C410-V412 PolarHBondContact O-N 3.24Å
413	R	98.8	Very high	97.7	Very high	43 Å²	43	34.5 Å²	34.5	16%	0.162	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	124.7	-179.8	-165.4	165.1	65	-106.8	-0	111.4	P65 S67 E76 E77	P65-R413 WeakPolarHBondContact O-CB 3.43Å; P65-R413 PolarHBondContact O-NH1 3.16Å; S67-R413 CarbonylContact O-C 3.37Å; S67-R413 VanDerWaalsContact O-CA 3.32Å; S67-R413 WeakPolarHBondContact O-CA 3.46Å; E76-R413 HydrophobicContact CB-CB 4.27Å; E76-R413 HydrophobicContact CB-CG 4.27Å; E76-R413 PolarHBondContact N-O 3.39Å; E76-R413 WeakPolarHBondContact OE2-CD 2.97Å; E76-R413 IonicContact OE2-CZ 2.71Å; E76-R413 IonicContact OE2-NE 3.84Å; E76-R413 PolarHBondContact OE2-NE 3.29Å; E76-R413 IonicContact OE2-NH2 2.82Å; E77-R413 HydrophobicContact CB-CB 4.02Å; E77-R413 PolarHBondContact N-O 2.93Å; E77-R413 PolarHBondContact O-N 3.32Å; E77-R413 VanDerWaalsContact O-N 3.1Å; E77-R413 IonicContact OE2-CZ 3.86Å; E77-R413 IonicContact OE2-NH1 3.56Å; E77-R413 PolarHBondContact OE2-NH1 3.01Å; E77-R413 IonicContact OE2-NH2 3.56Å
414	R	98.8	Very high	97.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141	166	-65.6	-178.7	177.4	-84.8	2.1	109	S67 N70 E71 D73 P74 L75 M364 D411 G416	S67-R414 PolarHBondContact O-N 2.7Å; S67-R414 VanDerWaalsContact O-O 3.06Å; N70-R414 WeakPolarHBondContact O-CD 3.48Å; N70-R414 PolarHBondContact O-NE 3.05Å; E71-R414 VanDerWaalsContact O-CZ 3.22Å; E71-R414 PolarHBondContact O-NH2 3.23Å; D73-R414 HydrophobicContact CB-CB 3.68Å; D73-R414 VanDerWaalsContact O-CD 3.27Å; D73-R414 WeakPolarHBondContact O-CD 3.3Å; D73-R414 WeakPolarHBondContact O-CG 3.42Å; D73-R414 PolarHBondContact O-NH1 2.9Å; P74-R414 CarbonylContact O-C 3.57Å; P74-R414 VanDerWaalsContact O-CA 3.24Å; P74-R414 WeakPolarHBondContact O-CA 3.48Å; L75-R414 HydrophobicContact CD1-CG 3.95Å; M364-R414 PolarHBondContact O-NH1 3.37Å; M364-R414 PolarHBondContact O-NH2 3.31Å; D411-R414 HydrophobicContact CB-CG 4.48Å; D411-R414 WeakPolarHBondContact OD2-CD 3.3Å; D411-R414 IonicContact OD2-CZ 3.27Å; D411-R414 IonicContact OD2-NE 2.68Å; D411-R414 PolarHBondContact OD2-NE 3.1Å; R414-G416 PolarHBondContact O-N 2.89Å
415	R	98.5	Very high	97.6	Very high	146 Å²	146	38.1 Å²	38.1	55%	0.551	20%	0.196	S	C	*	.	S	Bend	trans	-80.4	99	179.8	-172.7	171.2	58.6	-99.2	-1.4	110.4	P74 E76	P74-R415 HydrophobicContact CB-CB 4.35Å; P74-R415 WeakPolarHBondContact CD-O 3.24Å; P74-R415 PolarHBondContact O-N 3.42Å; E76-R415 HydrophobicContact CG-CB 4.41Å; E76-R415 WeakPolarHBondContact OE1-CB 3.33Å; E76-R415 IonicContact OE1-CZ 2.71Å; E76-R415 IonicContact OE1-NH1 3.36Å; E76-R415 PolarHBondContact OE1-NH1 2.93Å
416	G	97.3	Very high	97.6	Very high	29 Å²	29	40 Å²	40	30%	0.299	21%	0.206	S	C	.	.			trans	-173.1	-170.6	177.3	0	0	0	0	0	112.3	D73 R414	D73-G416 WeakPolarHBondContact OD2-CA 3.31Å; R414-G416 PolarHBondContact O-N 2.89Å
417	T	97.8	Very high	97.5	Very high	90 Å²	90	42.2 Å²	42.2	55%	0.552	22%	0.217	S	C	*	.			trans	-131	161	-177.7	59.1	0	0	0	0	110.3	Q419	T417-Q419 PolarHBondContact O-N 3.31Å
418	L	98.4	Very high	97.4	Very high	55 Å²	55	44.7 Å²	44.7	29%	0.288	23%	0.23	S	C	.	.			trans	-68	118.2	175.9	-178.5	60.7	0	0	0	110.7	Y69 G262 K263 Y289	Y69-L418 HydrophobicContact CD1-CB 3.79Å; Y69-L418 HydrophobicContact CD1-CD1 3.8Å; Y69-L418 HydrophobicContact CD1-CG 4.35Å; Y69-L418 HydrophobicContact CE1-CB 3.79Å; Y69-L418 HydrophobicContact CE1-CD1 4.43Å; Y69-L418 HydrophobicContact CG-CB 4.35Å; Y69-L418 HydrophobicContact CG-CD1 4.48Å; G262-L418 VanDerWaalsContact C-CD1 3.48Å; K263-L418 HydrophobicContact CB-CD1 4.48Å; K263-L418 HydrophobicContact CG-CD1 3.73Å; K263-L418 HydrophobicContact CG-CD2 4.18Å; K263-L418 HydrophobicContact CG-CG 3.8Å; Y289-L418 HydrophobicContact CD1-CD1 4.3Å; Y289-L418 HydrophobicContact CE1-CD1 3.56Å; Y289-L418 HydrophobicContact CE1-CD2 4.48Å
419	Q	98.3	Very high	97.3	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.421	25%	0.245	S	C	.	.			trans	-129.8	164.3	179.1	-60.4	-177.6	-70.9	0	0	111.4	G262 K263 T417 Y421	G262-Q419 CarbonylContact C-O 3.57Å; G262-Q419 WeakPolarHBondContact CA-O 3.42Å; K263-Q419 PolarHBondContact N-O 3.09Å; T417-Q419 PolarHBondContact O-N 3.31Å; Q419-Y421 HydrophobicContact CB-CE1 4.07Å; Q419-Y421 HydrophobicContact CB-CE2 4.05Å; Q419-Y421 PolarHBondContact OE1-OH 3.45Å
420	S	98.4	Very high	97.2	Very high	33 Å²	33	51.1 Å²	51.1	23%	0.231	26%	0.263	C	S	.	.			trans	-97	142.1	167.3	-169.4	0	0	0	0	108.5	R290 D423	R290-S420 PolarHBondContact NH2-OG 3.41Å; R290-S420 VanDerWaalsContact NH2-OG 3.16Å; S420-D423 WeakPolarHBondContact CB-OD1 3.32Å; S420-D423 PolarHBondContact OG-OD1 3.11Å
421	Y	98.1	Very high	97.1	Very high	32 Å²	32	55 Å²	55	13%	0.125	28%	0.283	C	S	.	.			trans	-130.6	6.3	173.1	-51.1	-78.7	0	0	0	112.3	N70 W72 A261 P313 W335 Q419	N70-Y421 PolarHBondContact ND2-OH 2.93Å; W72-Y421 AromaticContact CH2-CD2 3.95Å; W72-Y421 HydrophobicContact CH2-CD2 3.95Å; W72-Y421 HydrophobicContact CH2-CE2 4.02Å; W72-Y421 HydrophobicContact CZ2-CD1 4.37Å; W72-Y421 AromaticContact CZ2-CD2 3.74Å; W72-Y421 HydrophobicContact CZ2-CD2 3.74Å; W72-Y421 HydrophobicContact CZ2-CE1 4.14Å; W72-Y421 AromaticContact CZ2-CE2 3.47Å; W72-Y421 HydrophobicContact CZ2-CE2 3.47Å; W72-Y421 VanDerWaalsContact CZ2-CE2 3.47Å; W72-Y421 HydrophobicContact CZ2-CG 4.18Å; W72-Y421 AromaticContact CZ2-CZ 3.67Å; A261-Y421 HydrophobicContact CB-CD2 4.41Å; A261-Y421 WeakPolarHBondContact O-CD2 3.48Å; P313-Y421 HydrophobicContact CB-CD1 3.95Å; P313-Y421 HydrophobicContact CB-CE1 4.01Å; P313-Y421 HydrophobicContact CG-CE1 4.43Å; W335-Y421 PolarHBondContact NE1-O 3Å; Q419-Y421 HydrophobicContact CB-CE1 4.07Å; Q419-Y421 HydrophobicContact CB-CE2 4.05Å; Q419-Y421 PolarHBondContact OE1-OH 3.45Å
422	L	95.6	Very high	96.9	Very high	24 Å²	24	59.6 Å²	59.6	13%	0.126	31%	0.306	C	S	.	.			trans	-118.8	50.1	-175.5	-164	73	0	0	0	110.5	D264 F266 L329 F330 A333 W335	D264-L422 HydrophobicContact CB-CD2 4.47Å; F266-L422 HydrophobicContact CE1-CD2 4.06Å; F266-L422 HydrophobicContact CZ-CD1 4.1Å; F266-L422 HydrophobicContact CZ-CD2 3.83Å; F266-L422 HydrophobicContact CZ-CG 4.49Å; L329-L422 HydrophobicContact CD2-CD2 4.38Å; L329-L422 HydrophobicContact CG-CD1 4.43Å; F330-L422 HydrophobicContact CD1-CD1 4.22Å; F330-L422 HydrophobicContact CE1-CD1 4.49Å; A333-L422 HydrophobicContact CB-CD1 3.89Å; W335-L422 HydrophobicContact CZ2-CD1 4.22Å
423	D	83.9	Confident	96.7	Very high	171 Å²	171	65 Å²	65	91%	0.914	33%	0.334	S	S	*	.			trans	-88.3	0	-177.7	-62.1	-21.7	0	0	0	113	A333 S420	A333-D423 WeakPolarHBondContact CA-O 3.47Å; S420-D423 WeakPolarHBondContact CB-OD1 3.32Å; S420-D423 PolarHBondContact OG-OD1 3.11Å

Retrieved 423 of 423 residues in 191.6 ms (Link to these results)

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