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Di-N-acetylchitobiase

Involved in the degradation of asparagine-linked glycoproteins. Hydrolyze of N-acetyl-beta-D-glucosamine (1-4)N-acetylglucosamine chitobiose core from the reducing end of the bond, it requires prior cleavage by glycosylasparaginase.

AlphaFold DB , UniProt , Accession A0A096N711, Species PAPAN (Papio anubis, Olive baboon), Gene CTBS, Length 382 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	36.5	Very low	244 Å²	244	180.5 Å²	180.5	100%	1.202	84%	0.836	S	S	*	*				0	111.6	0	-70.2	166.9	160.1	0	0	107.2
2	S	38.3	Very low	36.4	Very low	117 Å²	117	177.8 Å²	177.8	82%	0.818	83%	0.831	S	S	*	*			cis	-152.9	133.1	-2.1	-69.6	0	0	0	0	106.9
3	R	35.1	Very low	36.2	Very low	242 Å²	242	173.6 Å²	173.6	91%	0.913	83%	0.834	S	S	*	*			trans	-83.8	144.8	163.8	-73.1	179.1	178.1	-152.8	-0.6	108.6
4	L	33.8	Very low	36.1	Very low	147 Å²	147	168.9 Å²	168.9	77%	0.77	83%	0.827	S	S	*	*			trans	-162.3	111.3	144.2	-96.2	124.8	0	0	0	106.5
5	Q	35.5	Very low	37.4	Very low	160 Å²	160	165.5 Å²	165.5	75%	0.748	82%	0.823	S	S	*	*				71.3	138.8	84.3	-78.6	-167.7	-18.1	0	0	111.6
6	L	31.8	Very low	37.8	Very low	148 Å²	148	163.3 Å²	163.3	78%	0.775	83%	0.825	S	S	*	*			cis	-165.4	163.4	10.6	-103.4	155.9	0	0	0	108.2
7	R	30.8	Very low	37.9	Very low	235 Å²	235	168.5 Å²	168.5	89%	0.887	83%	0.832	S	S	*	*			trans	-79	-155.1	178.9	-61.4	171.7	157.6	-164.4	-3.9	112.7
8	P	60.4	Low	37.7	Very low	103 Å²	103	163.5 Å²	163.5	67%	0.669	83%	0.831	S	S	*	*				-117	-162.8	-97	39.1	-18.6	0	0	0	111.3
9	W	30.9	Very low	38	Very low	239 Å²	239	163.6 Å²	163.6	91%	0.905	83%	0.832	S	S	*	*			trans	169.5	117.7	145.3	-89.5	28.5	0	0	0	107.9
10	R	33.3	Very low	37.9	Very low	221 Å²	221	167.5 Å²	167.5	83%	0.834	84%	0.836	S	S	*	*				64.3	109.5	77.1	-99.9	-168	-163.3	-116.4	3.1	116
11	L	32.6	Very low	38.1	Very low	129 Å²	129	163 Å²	163	68%	0.675	83%	0.831	S	S	*	*				144.9	127	113	-81	147.9	0	0	0	115.2
12	L	35.6	Very low	38.2	Very low	149 Å²	149	159.9 Å²	159.9	78%	0.78	82%	0.819	S	S	*	*			trans	45.2	126.7	137.8	-64.3	164.7	0	0	0	121.9
13	S	33.4	Very low	38.3	Very low	123 Å²	123	158.4 Å²	158.4	86%	0.86	81%	0.814	S	S	*	*				-164.6	145.4	121.2	52.8	0	0	0	0	112.8
14	S	34.7	Very low	38.6	Very low	107 Å²	107	153.7 Å²	153.7	75%	0.748	81%	0.812	S	S	*	*			trans	-91.3	-178.4	-172.3	-29.6	0	0	0	0	112.2
15	P	55.8	Low	38.9	Very low	118 Å²	118	154.2 Å²	154.2	77%	0.766	81%	0.814	S	S	*	*			trans	-92.6	-176.8	-148.4	40.9	-40.3	0	0	0	115.6
16	P	44.6	Very low	39.2	Very low	130 Å²	130	150.6 Å²	150.6	84%	0.844	81%	0.812	S	S	*	*				-143.4	167.3	108	36.1	-19.6	0	0	0	117.2
17	R	39.5	Very low	39.6	Very low	253 Å²	253	151.6 Å²	151.6	96%	0.955	82%	0.817	S	S	*	*			trans	-48.5	145.7	-178.6	-66.2	163.6	174.5	176.4	-2.8	116.6
18	G	33.5	Very low	40.1	Very low	78 Å²	78	148.3 Å²	148.3	80%	0.804	81%	0.814	S	S	*	*			trans	-163	107.3	155.8	0	0	0	0	0	110.7
19	I	44.2	Very low	39.2	Very low	166 Å²	166	148.2 Å²	148.2	85%	0.851	82%	0.821	S	S	*	*			trans	-77.6	133.3	178.1	-65.4	164.7	0	0	0	109.3
20	R	34.3	Very low	39.8	Very low	241 Å²	241	143.5 Å²	143.5	91%	0.909	81%	0.813	S	S	*	*			trans	-162.8	126.1	141.7	-105.3	165	-170.4	-153.1	1.6	109.2
21	G	44.1	Very low	40.2	Very low	72 Å²	72	138.5 Å²	138.5	74%	0.742	81%	0.812	S	S	*	*			trans	-65.4	157.2	-168.8	0	0	0	0	0	114.3
22	L	40.2	Very low	40.7	Very low	179 Å²	179	140.2 Å²	140.2	94%	0.937	82%	0.821	S	S	*	*			trans	-144.3	132.9	162.2	-103.5	131.9	0	0	0	109
23	A	41.2	Very low	41.2	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	82%	0.822	S	S	*	*			trans	-64	148.1	-168.8	0	0	0	0	0	113	L25	A23-L25 PolarHBondContact O-N 2.86Å
24	V	41	Very low	41.6	Very low	143 Å²	143	136.9 Å²	136.9	87%	0.867	82%	0.823	S	S	*	*			trans	-66.1	109.5	165.4	177.2	0	0	0	0	107.9	A26	V24-A26 PolarHBondContact O-N 2.87Å
25	L	40.3	Very low	42	Very low	157 Å²	157	134.8 Å²	134.8	82%	0.822	82%	0.818	S	S	*	*			trans	-85.1	98.3	168.5	-102.2	148.2	0	0	0	108.2	A23 L27	A23-L25 PolarHBondContact O-N 2.86Å; L25-L27 PolarHBondContact O-N 2.87Å
26	A	42	Very low	42.1	Very low	84 Å²	84	132.8 Å²	132.8	69%	0.694	80%	0.804	S	S	*	*			trans	-70.7	110	162.9	0	0	0	0	0	108.3	V24 M28	V24-A26 PolarHBondContact O-N 2.87Å; A26-M28 PolarHBondContact O-N 3.05Å; A26-M28 VanDerWaalsContact O-N 3.11Å
27	L	39.1	Very low	44.1	Very low	169 Å²	169	134 Å²	134	89%	0.885	80%	0.803	S	S	*	*			trans	-73.7	94.8	169.2	-89.6	126.4	0	0	0	108.8	L25 A29	L25-L27 PolarHBondContact O-N 2.87Å; L27-A29 PolarHBondContact O-N 3.37Å
28	M	41.9	Very low	46.6	Very low	167 Å²	167	123.5 Å²	123.5	82%	0.823	77%	0.768	S	S	*	*			trans	-70.4	111.2	154.4	-78.8	-176.7	178.7	0	0	107.4	A26 L30	A26-M28 PolarHBondContact O-N 3.05Å; A26-M28 VanDerWaalsContact O-N 3.11Å; M28-L30 PolarHBondContact O-N 3.44Å
29	A	41.7	Very low	49.6	Very low	100 Å²	100	122.6 Å²	122.6	83%	0.826	75%	0.748	S	S	*	*			trans	-71.8	85.6	166	0	0	0	0	0	108.5	L27 S31	L27-A29 PolarHBondContact O-N 3.37Å; A29-S31 PolarHBondContact O-N 2.65Å
30	L	42.4	Very low	52.1	Low	140 Å²	140	115.2 Å²	115.2	73%	0.733	71%	0.711	S	S	*	*			trans	-77.6	98.8	159.7	-88.4	149.9	0	0	0	107	M28 L32	M28-L30 PolarHBondContact O-N 3.44Å; L30-L32 PolarHBondContact O-N 2.89Å
31	S	42.3	Very low	55	Low	117 Å²	117	109.6 Å²	109.6	82%	0.818	71%	0.706	S	S	*	*			trans	-66.1	88.9	163.5	48.8	0	0	0	0	108.7	A29 A33	A29-S31 PolarHBondContact O-N 2.65Å; S31-A33 VanDerWaalsContact C-N 3.34Å; S31-A33 PolarHBondContact O-N 2.72Å; S31-A33 VanDerWaalsContact O-N 3.12Å
32	L	44	Very low	57.5	Low	164 Å²	164	112 Å²	112	86%	0.859	70%	0.698	S	S	*	*			trans	-73.1	88.3	165	-82	146.3	0	0	0	108.4	L30	L30-L32 PolarHBondContact O-N 2.89Å
33	A	44.4	Very low	60.1	Low	96 Å²	96	108.1 Å²	108.1	79%	0.793	68%	0.683	S	S	*	*			trans	-85.1	118	155.1	0	0	0	0	0	107.4	S31 G35	S31-A33 VanDerWaalsContact C-N 3.34Å; S31-A33 PolarHBondContact O-N 2.72Å; S31-A33 VanDerWaalsContact O-N 3.12Å; A33-G35 PolarHBondContact O-N 3.46Å
34	A	41.6	Very low	62.7	Low	107 Å²	107	108.7 Å²	108.7	88%	0.884	67%	0.671	S	S	*	*			trans	-67	112.1	-178.3	0	0	0	0	0	111.5
35	G	43.9	Very low	65.3	Low	62 Å²	62	103.1 Å²	103.1	64%	0.639	64%	0.636	S	S	*	*			trans	55.4	88	136.3	0	0	0	0	0	119.3	A33	A33-G35 PolarHBondContact O-N 3.46Å
36	T	59	Low	68	Low	77 Å²	77	96.4 Å²	96.4	47%	0.472	60%	0.602	S	S	.	*				-106.5	125.9	106.9	49.1	0	0	0	0	105.3	C38 T129 Y131	T36-C38 PolarHBondContact O-N 2.9Å; T36-T129 HydrophobicContact CG2-CG2 4.31Å; T36-Y131 PolarHBondContact O-OH 2.95Å; T36-Y131 PolarHBondContact OG1-OH 2.89Å
37	D	84.7	Confident	70.6	Confident	154 Å²	154	99.3 Å²	99.3	82%	0.824	60%	0.595	S	S	*	*			trans	-60.3	126.7	172.1	-75.1	-32.3	0	0	0	107.2	P39	D37-P39 WeakPolarHBondContact O-CD 3.44Å; D37-P39 VanDerWaalsContact O-N 3.12Å
38	C	93.4	Very high	73.4	Confident	33 Å²	33	93.2 Å²	93.2	22%	0.223	57%	0.566	C	S	.	*			trans	-50.8	121.7	175.4	172.2	0	0	0	0	108.4	T36 C40 C46	T36-C38 PolarHBondContact O-N 2.9Å; C38-C40 PolarHBondContact O-N 2.94Å; C38-C46 WeakPolarHBondContact CA-SG 3.46Å; C38-C46 HydrophobicContact CB-CB 3.76Å; C38-C46 WeakPolarHBondContact CB-SG 3.4Å; C38-C46 WeakPolarHBondContact SG-CB 3.21Å; C38-C46 CovalentContact SG-SG 2.02Å; C38-C46 PolarHBondContact SG-SG 3.16Å
39	P	96.2	Very high	76	Confident	60 Å²	60	86.2 Å²	86.2	39%	0.39	53%	0.531	S	S	.	.			trans	-74.5	-4.3	-176	30.5	-37.5	0	0	0	112.9	D37 M89 Y131	D37-P39 WeakPolarHBondContact O-CD 3.44Å; D37-P39 VanDerWaalsContact O-N 3.12Å; P39-M89 HydrophobicContact CG-CE 3.66Å; P39-Y131 VanDerWaalsContact CD-CE2 3.44Å; P39-Y131 HydrophobicContact CG-CD2 4.34Å; P39-Y131 HydrophobicContact CG-CE2 4.36Å
40	C	97.4	Very high	78.5	Confident	11 Å²	11	87.7 Å²	87.7	7%	0.074	52%	0.516	C	S	.	.	S	Bend	trans	-84.2	149.8	-175.8	-53	0	0	0	0	112.2	C38 E42 L45 C46 C90	C38-C40 PolarHBondContact O-N 2.94Å; C40-E42 WeakPolarHBondContact CB-O 3.32Å; C40-E42 PolarHBondContact O-N 3Å; C40-L45 HydrophobicContact CB-CB 3.79Å; C40-L45 HydrophobicContact CB-CD1 4.19Å; C40-C46 VanDerWaalsContact SG-SG 3.65Å; C40-C90 WeakPolarHBondContact CA-SG 3.34Å; C40-C90 HydrophobicContact CB-CB 3.69Å; C40-C90 WeakPolarHBondContact CB-SG 3.49Å; C40-C90 PolarHBondContact N-SG 3.3Å; C40-C90 VanDerWaalsContact N-SG 3.36Å; C40-C90 WeakPolarHBondContact SG-CA 3.21Å; C40-C90 WeakPolarHBondContact SG-CB 3.42Å; C40-C90 CovalentContact SG-SG 2.03Å; C40-C90 PolarHBondContact SG-SG 3.41Å
41	P	94.9	Very high	80.7	Confident	123 Å²	123	86 Å²	86	80%	0.799	50%	0.504	S	S	*	.	S	Bend	trans	-56.6	-34.5	174	-24.8	34.2	0	0	0	113
42	E	96.1	Very high	82.9	Confident	123 Å²	123	85.9 Å²	85.9	58%	0.575	49%	0.49	S	S	*	.	S	Bend	trans	-111.7	118.6	175.2	-68.3	175.8	-154.4	0	0	109.3	C40 E44 L45	C40-E42 WeakPolarHBondContact CB-O 3.32Å; C40-E42 PolarHBondContact O-N 3Å; E42-E44 PolarHBondContact O-N 2.78Å; E42-E44 VanDerWaalsContact O-N 3.09Å; E42-L45 HydrophobicContact CB-CD1 4.03Å; E42-L45 HydrophobicContact CB-CG 3.98Å; E42-L45 WeakPolarHBondContact O-CB 3.13Å; E42-L45 PolarHBondContact O-N 2.84Å
43	P	95.2	Very high	85.2	Confident	96 Å²	96	79.2 Å²	79.2	62%	0.623	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-58.5	-25.3	-177.8	-28.5	36	0	0	0	114.7	L45 C46	P43-L45 PolarHBondContact O-N 2.97Å; P43-C46 PolarHBondContact O-N 3.03Å
44	E	95.1	Very high	87.4	Confident	99 Å²	99	82.2 Å²	82.2	46%	0.463	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-62.7	-29.1	176.6	-65.9	-62.8	153.7	0	0	112.7	E42 C46 R47	E42-E44 PolarHBondContact O-N 2.78Å; E42-E44 VanDerWaalsContact O-N 3.09Å; E44-C46 PolarHBondContact O-N 2.81Å; E44-R47 VanDerWaalsContact CD-CZ 3.41Å; E44-R47 VanDerWaalsContact CD-NH2 3.31Å; E44-R47 WeakPolarHBondContact O-CB 3.46Å; E44-R47 PolarHBondContact O-N 3.39Å; E44-R47 IonicContact OE1-CZ 4Å; E44-R47 VanDerWaalsContact OE1-CZ 3.3Å; E44-R47 IonicContact OE1-NH1 3.87Å; E44-R47 PolarHBondContact OE1-NH1 3.02Å; E44-R47 IonicContact OE1-NH2 3.28Å; E44-R47 PolarHBondContact OE1-NH2 2.96Å; E44-R47 WeakPolarHBondContact OE2-CD 3.17Å; E44-R47 IonicContact OE2-CZ 3.54Å; E44-R47 IonicContact OE2-NE 3.75Å; E44-R47 PolarHBondContact OE2-NE 3.22Å; E44-R47 IonicContact OE2-NH1 2.99Å; E44-R47 PolarHBondContact OE2-NH1 3.34Å; E44-R47 IonicContact OE2-NH2 3.07Å; E44-R47 PolarHBondContact OE2-NH2 3.37Å; E44-R47 VanDerWaalsContact OE2-NH2 3.13Å
45	L	96.9	Very high	89.9	Confident	27 Å²	27	79.7 Å²	79.7	14%	0.141	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-67.9	-14.7	177.5	-62.2	177.8	0	0	0	112.7	C40 E42 P43 R47 H93	C40-L45 HydrophobicContact CB-CB 3.79Å; C40-L45 HydrophobicContact CB-CD1 4.19Å; E42-L45 HydrophobicContact CB-CD1 4.03Å; E42-L45 HydrophobicContact CB-CG 3.98Å; E42-L45 WeakPolarHBondContact O-CB 3.13Å; E42-L45 PolarHBondContact O-N 2.84Å; P43-L45 PolarHBondContact O-N 2.97Å; L45-R47 VanDerWaalsContact C-N 3.26Å; L45-R47 PolarHBondContact O-N 3.49Å; L45-H93 HydrophobicContact CB-CB 4.23Å; L45-H93 HydrophobicContact CD2-CB 4.27Å; L45-H93 WeakPolarHBondContact O-CB 3.49Å; L45-H93 PolarHBondContact O-ND1 3.48Å
46	C	96.9	Very high	92.5	Very high	15 Å²	15	76.8 Å²	76.8	10%	0.101	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-83	-1.4	172.6	-75.5	0	0	0	0	113.5	C38 C40 P43 E44 Y131	C38-C46 WeakPolarHBondContact CA-SG 3.46Å; C38-C46 HydrophobicContact CB-CB 3.76Å; C38-C46 WeakPolarHBondContact CB-SG 3.4Å; C38-C46 WeakPolarHBondContact SG-CB 3.21Å; C38-C46 CovalentContact SG-SG 2.02Å; C38-C46 PolarHBondContact SG-SG 3.16Å; C40-C46 VanDerWaalsContact SG-SG 3.65Å; P43-C46 PolarHBondContact O-N 3.03Å; E44-C46 PolarHBondContact O-N 2.81Å; C46-Y131 HydrophobicContact CB-CD1 3.43Å; C46-Y131 VanDerWaalsContact CB-CD1 3.43Å; C46-Y131 HydrophobicContact CB-CE1 3.52Å; C46-Y131 HydrophobicContact CB-CG 3.93Å; C46-Y131 VanDerWaalsContact O-CD1 3.27Å; C46-Y131 WeakPolarHBondContact O-CD1 3.2Å
47	R	96.1	Very high	94.4	Very high	146 Å²	146	73.1 Å²	73.1	55%	0.551	38%	0.375	S	S	*	.	S	Bend	trans	-80.1	142.7	173.4	-65.8	-173.3	176.7	150.3	21.3	110.2	E44 L45	E44-R47 VanDerWaalsContact CD-CZ 3.41Å; E44-R47 VanDerWaalsContact CD-NH2 3.31Å; E44-R47 WeakPolarHBondContact O-CB 3.46Å; E44-R47 PolarHBondContact O-N 3.39Å; E44-R47 IonicContact OE1-CZ 4Å; E44-R47 VanDerWaalsContact OE1-CZ 3.3Å; E44-R47 IonicContact OE1-NH1 3.87Å; E44-R47 PolarHBondContact OE1-NH1 3.02Å; E44-R47 IonicContact OE1-NH2 3.28Å; E44-R47 PolarHBondContact OE1-NH2 2.96Å; E44-R47 WeakPolarHBondContact OE2-CD 3.17Å; E44-R47 IonicContact OE2-CZ 3.54Å; E44-R47 IonicContact OE2-NE 3.75Å; E44-R47 PolarHBondContact OE2-NE 3.22Å; E44-R47 IonicContact OE2-NH1 2.99Å; E44-R47 PolarHBondContact OE2-NH1 3.34Å; E44-R47 IonicContact OE2-NH2 3.07Å; E44-R47 PolarHBondContact OE2-NH2 3.37Å; E44-R47 VanDerWaalsContact OE2-NH2 3.13Å; L45-R47 VanDerWaalsContact C-N 3.26Å; L45-R47 PolarHBondContact O-N 3.49Å
48	P	96.4	Very high	95	Very high	41 Å²	41	65.8 Å²	65.8	27%	0.266	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-57.2	141.8	175.5	-25.8	34	0	0	0	112.7	R50 D133 I168 E169	P48-R50 PolarHBondContact O-N 3.15Å; P48-D133 WeakPolarHBondContact CA-OD1 3.24Å; P48-I168 HydrophobicContact CB-CG2 4.08Å; P48-I168 HydrophobicContact CG-CG2 3.75Å; P48-E169 WeakPolarHBondContact CB-O 3.26Å
49	I	96.9	Very high	95.3	Very high	20 Å²	20	64.2 Å²	64.2	10%	0.103	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-73.3	119.5	173.9	-59.9	-59.6	0	0	0	109.9	H51 H93 R98 D133	I49-H51 VanDerWaalsContact CG2-CE1 3.42Å; I49-H51 WeakPolarHBondContact CG2-CE1 3.33Å; I49-H51 WeakPolarHBondContact CG2-ND1 3.36Å; I49-H93 HydrophobicContact CD1-CB 4.3Å; I49-R98 HydrophobicContact CB-CG 3.89Å; I49-R98 HydrophobicContact CG2-CG 4.02Å; I49-R98 PolarHBondContact O-NH2 2.85Å; I49-D133 PolarHBondContact N-OD1 3Å
50	R	93.7	Very high	95.4	Very high	131 Å²	131	61.3 Å²	61.3	49%	0.494	31%	0.307	S	S	.	.			trans	-102.3	-15.2	-172.9	-57.9	179.6	-175.7	-148.6	-12.8	115.3	P48 E169	P48-R50 PolarHBondContact O-N 3.15Å; R50-E169 VanDerWaalsContact CZ-CD 3.4Å; R50-E169 IonicContact CZ-OE1 3.83Å; R50-E169 IonicContact CZ-OE2 3.38Å; R50-E169 IonicContact NE-OE2 3.66Å; R50-E169 IonicContact NH1-OE1 2.93Å; R50-E169 PolarHBondContact NH1-OE1 3Å; R50-E169 IonicContact NH1-OE2 3.69Å; R50-E169 PolarHBondContact NH1-OE2 2.97Å; R50-E169 IonicContact NH2-OE2 3.9Å; R50-E169 PolarHBondContact NH2-OE2 3.41Å
51	H	90.1	Very high	95.4	Very high	104 Å²	104	61 Å²	61	48%	0.481	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-80.3	140.1	-177.1	69.3	-94.7	0	0	0	110.6	I49 G96 R98	I49-H51 VanDerWaalsContact CG2-CE1 3.42Å; I49-H51 WeakPolarHBondContact CG2-CE1 3.33Å; I49-H51 WeakPolarHBondContact CG2-ND1 3.36Å; H51-G96 PolarHBondContact CE1-O 3.43Å; H51-G96 PolarHBondContact NE2-O 3.28Å; H51-R98 PolarHBondContact O-NH1 3.18Å; H51-R98 PolarHBondContact O-NH2 3.12Å
52	H	88.5	Confident	95.5	Very high	115 Å²	115	57.7 Å²	57.7	53%	0.532	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-102.7	125.5	176	-62.1	-78.7	0	0	0	109
53	P	91.6	Very high	95.4	Very high	23 Å²	23	52.3 Å²	52.3	15%	0.149	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-75.7	148.4	176.8	34.5	-37.6	0	0	0	110.6	F55 E56 T76	P53-F55 PolarHBondContact O-N 3.37Å; P53-E56 VanDerWaalsContact CG-CD 3.4Å; P53-E56 HydrophobicContact CG-CG 4.41Å; P53-E56 VanDerWaalsContact CG-OE1 3.27Å; P53-E56 WeakPolarHBondContact CG-OE1 3.35Å; P53-E56 WeakPolarHBondContact CG-OE2 3.38Å; P53-T76 HydrophobicContact CB-CG2 3.72Å; P53-T76 HydrophobicContact CG-CG2 3.76Å
54	D	90	Very high	95.1	Very high	159 Å²	159	54.8 Å²	54.8	85%	0.85	26%	0.263	S	S	*	.	S	Bend	trans	-69.1	-24.4	172.9	-68	-32.7	0	0	0	112.5
55	F	95.8	Very high	95	Very high	55 Å²	55	54.5 Å²	54.5	24%	0.241	26%	0.26	C	S	.	.	S	Bend	trans	-139.5	122.2	-179.5	-174.2	-90.8	0	0	0	110.3	P53 V57 I340 R346 I348 K376	P53-F55 PolarHBondContact O-N 3.37Å; F55-V57 HydrophobicContact CD1-CG2 4.18Å; F55-V57 HydrophobicContact CE1-CG2 4Å; F55-I340 HydrophobicContact CE2-CG2 3.55Å; F55-I340 HydrophobicContact CZ-CG2 4.1Å; F55-R346 WeakPolarHBondContact CA-O 3.48Å; F55-I348 HydrophobicContact CE1-CG2 4.02Å; F55-I348 HydrophobicContact CZ-CB 4.36Å; F55-I348 HydrophobicContact CZ-CG2 4.1Å; F55-K376 HydrophobicContact CD1-CG 4.32Å; F55-K376 HydrophobicContact CE1-CG 4.09Å
56	E	97.5	Very high	94.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.3	178.9	-61.3	-69.7	170.9	0	0	111.5	P53 T76 F200 V245 R346 G347 I348	P53-E56 VanDerWaalsContact CG-CD 3.4Å; P53-E56 HydrophobicContact CG-CG 4.41Å; P53-E56 VanDerWaalsContact CG-OE1 3.27Å; P53-E56 WeakPolarHBondContact CG-OE1 3.35Å; P53-E56 WeakPolarHBondContact CG-OE2 3.38Å; E56-T76 WeakPolarHBondContact CA-OG1 3.25Å; E56-T76 VanDerWaalsContact OE2-CB 3.32Å; E56-T76 WeakPolarHBondContact OE2-CB 3.49Å; E56-T76 PolarHBondContact OE2-OG1 3.02Å; E56-F200 HydrophobicContact CG-CE1 3.96Å; E56-F200 HydrophobicContact CG-CZ 4.2Å; E56-V245 HydrophobicContact CB-CG2 4.06Å; E56-V245 HydrophobicContact CG-CG2 4.3Å; E56-R346 HydrophobicContact CG-CG 3.77Å; E56-R346 PolarHBondContact N-O 3.38Å; E56-R346 IonicContact OE1-CZ 2.64Å; E56-R346 IonicContact OE1-NE 2.97Å; E56-R346 IonicContact OE1-NH2 3.83Å; E56-R346 PolarHBondContact OE1-NH2 2.76Å; E56-G347 CarbonylContact O-C 3.57Å; E56-G347 WeakPolarHBondContact O-CA 3.42Å; E56-I348 PolarHBondContact O-N 3.49Å; E56-I348 VanDerWaalsContact O-O 3.13Å
57	V	98.2	Very high	94.9	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	97.4	157.3	177.1	0	0	0	0	107.1	F55 V59 Q74 T76 T77 I348 M350 L375 K376	F55-V57 HydrophobicContact CD1-CG2 4.18Å; F55-V57 HydrophobicContact CE1-CG2 4Å; V57-V59 HydrophobicContact CG1-CG2 4.38Å; V57-Q74 WeakPolarHBondContact CB-O 3.41Å; V57-Q74 HydrophobicContact CG2-CB 4.5Å; V57-T76 PolarHBondContact N-OG1 3.04Å; V57-T76 PolarHBondContact O-N 3.47Å; V57-T76 PolarHBondContact O-OG1 3.48Å; V57-T77 PolarHBondContact O-N 3.39Å; V57-I348 VanDerWaalsContact CA-O 3.26Å; V57-I348 WeakPolarHBondContact CA-O 3.41Å; V57-I348 HydrophobicContact CG2-CG2 4.44Å; V57-M350 HydrophobicContact CG1-CE 4.32Å; V57-L375 HydrophobicContact CG1-CD1 3.96Å; V57-K376 HydrophobicContact CG2-CD 4.3Å; V57-K376 HydrophobicContact CG2-CG 4.03Å
58	F	98.6	Very high	94.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.2	-170.9	-164.3	-87.7	0	0	0	111	F60 T77 A79 V100 N136 T174 F200 F202 V245 I348 G349 M350	F58-F60 HydrophobicContact CD1-CD2 4.13Å; F58-F60 AromaticContact CD1-CE2 3.59Å; F58-F60 HydrophobicContact CD1-CE2 3.59Å; F58-F60 HydrophobicContact CD1-CZ 4.17Å; F58-F60 HydrophobicContact CE1-CD2 4.27Å; F58-F60 HydrophobicContact CE1-CE1 4.39Å; F58-F60 AromaticContact CE1-CE2 3.58Å; F58-F60 HydrophobicContact CE1-CE2 3.58Å; F58-F60 AromaticContact CE1-CZ 3.67Å; F58-F60 HydrophobicContact CE1-CZ 3.67Å; F58-T77 HydrophobicContact CD2-CG2 3.84Å; F58-T77 HydrophobicContact CE2-CG2 3.5Å; F58-T77 VanDerWaalsContact CE2-CG2 3.5Å; F58-T77 HydrophobicContact CZ-CG2 4.25Å; F58-A79 HydrophobicContact CE1-CB 3.6Å; F58-A79 HydrophobicContact CZ-CB 3.8Å; F58-V100 HydrophobicContact CZ-CG2 4.25Å; F58-N136 HydrophobicContact CZ-CB 4.18Å; F58-N136 WeakPolarHBondContact CZ-OD1 3.31Å; F58-T174 HydrophobicContact CE2-CG2 4.19Å; F58-F200 AromaticContact CD2-CE2 3.78Å; F58-F200 HydrophobicContact CD2-CE2 3.78Å; F58-F200 AromaticContact CD2-CZ 3.59Å; F58-F200 HydrophobicContact CD2-CZ 3.59Å; F58-F200 AromaticContact CE2-CE2 3.91Å; F58-F200 HydrophobicContact CE2-CE2 3.91Å; F58-F200 AromaticContact CE2-CZ 3.76Å; F58-F200 HydrophobicContact CE2-CZ 3.76Å; F58-F200 HydrophobicContact CG-CE2 4.44Å; F58-F202 HydrophobicContact CB-CD2 4.22Å; F58-F202 HydrophobicContact CB-CE2 4.23Å; F58-F202 AromaticContact CD1-CD2 3.65Å; F58-F202 HydrophobicContact CD1-CD2 3.65Å; F58-F202 AromaticContact CD1-CE2 3.91Å; F58-F202 HydrophobicContact CD1-CE2 3.91Å; F58-F202 HydrophobicContact CD1-CG 4.45Å; F58-F202 HydrophobicContact CE1-CD2 4.29Å; F58-F202 HydrophobicContact CG-CD2 4.13Å; F58-F202 HydrophobicContact CG-CE2 4.44Å; F58-V245 HydrophobicContact CB-CG1 4.08Å; F58-I348 PolarHBondContact N-O 2.97Å; F58-G349 CarbonylContact O-C 3.43Å; F58-G349 WeakPolarHBondContact O-CA 3.23Å; F58-M350 WeakPolarHBondContact O-CE 3.47Å; F58-M350 PolarHBondContact O-N 3.48Å
59	V	98.4	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.6	-171	175.3	0	0	0	0	111.2	V57 Y70 I75 T77 V78 A79 M350 A353 W372	V57-V59 HydrophobicContact CG1-CG2 4.38Å; V59-Y70 HydrophobicContact CG1-CD2 4.42Å; V59-Y70 HydrophobicContact CG1-CE2 4.25Å; V59-I75 HydrophobicContact CB-CG2 4.47Å; V59-I75 HydrophobicContact CG2-CB 4.43Å; V59-I75 HydrophobicContact CG2-CD1 4.05Å; V59-I75 HydrophobicContact CG2-CG1 3.81Å; V59-I75 HydrophobicContact CG2-CG2 3.93Å; V59-T77 PolarHBondContact N-O 3.46Å; V59-V78 HydrophobicContact CB-CG2 4.46Å; V59-V78 CarbonylContact O-C 3.48Å; V59-V78 VanDerWaalsContact O-CA 3.31Å; V59-V78 WeakPolarHBondContact O-CA 3.08Å; V59-A79 PolarHBondContact O-N 3.31Å; V59-M350 HydrophobicContact CB-CE 4.47Å; V59-M350 HydrophobicContact CB-SD 3.95Å; V59-M350 HydrophobicContact CG1-SD 3.9Å; V59-M350 HydrophobicContact CG2-CE 3.76Å; V59-M350 HydrophobicContact CG2-SD 3.76Å; V59-A353 HydrophobicContact CG1-CB 3.53Å; V59-W372 HydrophobicContact CG2-CH2 4Å; V59-W372 HydrophobicContact CG2-CZ3 4.11Å
60	F	98.7	Very high	95	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.6	164.3	-71	-99.2	0	0	0	110	F58 A79 F81 D176 F202 M350 W351 N352 A353	F58-F60 HydrophobicContact CD1-CD2 4.13Å; F58-F60 AromaticContact CD1-CE2 3.59Å; F58-F60 HydrophobicContact CD1-CE2 3.59Å; F58-F60 HydrophobicContact CD1-CZ 4.17Å; F58-F60 HydrophobicContact CE1-CD2 4.27Å; F58-F60 HydrophobicContact CE1-CE1 4.39Å; F58-F60 AromaticContact CE1-CE2 3.58Å; F58-F60 HydrophobicContact CE1-CE2 3.58Å; F58-F60 AromaticContact CE1-CZ 3.67Å; F58-F60 HydrophobicContact CE1-CZ 3.67Å; F60-A79 HydrophobicContact CD1-CB 3.97Å; F60-A79 HydrophobicContact CE1-CB 4.05Å; F60-A79 HydrophobicContact CG-CB 4.44Å; F60-F81 AromaticContact CD1-CD2 3.82Å; F60-F81 HydrophobicContact CD1-CD2 3.82Å; F60-F81 AromaticContact CD1-CE2 3.43Å; F60-F81 HydrophobicContact CD1-CE2 3.43Å; F60-F81 VanDerWaalsContact CD1-CE2 3.43Å; F60-F81 AromaticContact CD1-CZ 3.83Å; F60-F81 HydrophobicContact CD1-CZ 3.83Å; F60-F81 HydrophobicContact CE1-CD2 4.28Å; F60-F81 AromaticContact CE1-CE2 3.43Å; F60-F81 HydrophobicContact CE1-CE2 3.43Å; F60-F81 VanDerWaalsContact CE1-CE2 3.43Å; F60-F81 AromaticContact CE1-CZ 3.61Å; F60-F81 HydrophobicContact CE1-CZ 3.61Å; F60-D176 WeakPolarHBondContact CZ-OD1 3.11Å; F60-F202 HydrophobicContact CD2-CE1 4.32Å; F60-F202 HydrophobicContact CD2-CE2 4.39Å; F60-F202 HydrophobicContact CD2-CZ 4.05Å; F60-F202 AromaticContact CE2-CD1 3.69Å; F60-F202 HydrophobicContact CE2-CD1 3.69Å; F60-F202 AromaticContact CE2-CD2 3.88Å; F60-F202 HydrophobicContact CE2-CD2 3.88Å; F60-F202 AromaticContact CE2-CE1 3.47Å; F60-F202 HydrophobicContact CE2-CE1 3.47Å; F60-F202 VanDerWaalsContact CE2-CE1 3.47Å; F60-F202 AromaticContact CE2-CE2 3.66Å; F60-F202 HydrophobicContact CE2-CE2 3.66Å; F60-F202 AromaticContact CE2-CG 3.9Å; F60-F202 HydrophobicContact CE2-CG 3.9Å; F60-F202 AromaticContact CE2-CZ 3.45Å; F60-F202 HydrophobicContact CE2-CZ 3.45Å; F60-F202 VanDerWaalsContact CE2-CZ 3.45Å; F60-F202 AromaticContact CZ-CD1 3.91Å; F60-F202 HydrophobicContact CZ-CD1 3.91Å; F60-F202 HydrophobicContact CZ-CE1 4.07Å; F60-F202 HydrophobicContact CZ-CG 4.15Å; F60-F202 HydrophobicContact CZ-CZ 4.44Å; F60-M350 WeakPolarHBondContact CD2-O 3.35Å; F60-M350 PolarHBondContact N-O 3.21Å; F60-W351 HydrophobicContact CB-CE3 3.7Å; F60-W351 HydrophobicContact CB-CZ3 4.09Å; F60-W351 AromaticContact CD1-CE3 3.56Å; F60-W351 HydrophobicContact CD1-CE3 3.56Å; F60-W351 AromaticContact CD1-CZ3 3.49Å; F60-W351 HydrophobicContact CD1-CZ3 3.49Å; F60-W351 VanDerWaalsContact CD1-CZ3 3.49Å; F60-W351 HydrophobicContact CD2-CE3 4.32Å; F60-W351 HydrophobicContact CE1-CE3 4.23Å; F60-W351 HydrophobicContact CE1-CZ3 4.16Å; F60-W351 AromaticContact CG-CE3 3.59Å; F60-W351 HydrophobicContact CG-CE3 3.59Å; F60-W351 AromaticContact CG-CZ3 3.98Å; F60-W351 HydrophobicContact CG-CZ3 3.98Å; F60-N352 HydrophobicContact CB-CB 3.98Å; F60-N352 WeakPolarHBondContact O-CB 3.45Å; F60-A353 PolarHBondContact O-N 3.44Å
61	D	98.3	Very high	95.2	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124	173.7	-178.3	-92.8	0	0	0	110.4	G63 Y70 V78 A79 F81 G82 N354	D61-G63 VanDerWaalsContact C-N 3.33Å; D61-G63 VanDerWaalsContact OD1-CA 3.24Å; D61-G63 WeakPolarHBondContact OD1-CA 3.44Å; D61-G63 PolarHBondContact OD1-N 3.3Å; D61-Y70 HydrophobicContact CB-CE2 4.48Å; D61-Y70 WeakPolarHBondContact OD2-CE2 3.44Å; D61-Y70 PolarHBondContact OD2-OH 3.41Å; D61-V78 HydrophobicContact CB-CG1 3.78Å; D61-A79 PolarHBondContact N-O 2.83Å; D61-F81 PolarHBondContact O-N 3.13Å; D61-G82 PolarHBondContact O-N 3.39Å; D61-N354 PolarHBondContact OD2-ND2 2.82Å
62	V	97	Very high	95.5	Very high	55 Å²	55	44.8 Å²	44.8	33%	0.333	23%	0.229	S	C	.	.			trans	-96.5	20.2	-179.6	-59.6	0	0	0	0	113	F81 W351 N352 N354	V62-F81 HydrophobicContact CG1-CB 4.19Å; V62-W351 HydrophobicContact CG1-CH2 4.27Å; V62-W351 HydrophobicContact CG1-CZ2 4.32Å; V62-N352 HydrophobicContact CG1-CB 4.3Å; V62-N354 HydrophobicContact CG2-CB 3.85Å; V62-N354 VanDerWaalsContact CG2-CG 3.47Å; V62-N354 VanDerWaalsContact CG2-OD1 3.26Å; V62-N354 WeakPolarHBondContact CG2-OD1 2.98Å; V62-N354 PolarHBondContact N-OD1 3.31Å
63	G	93.4	Very high	95.8	Very high	10 Å²	10	44.3 Å²	44.3	10%	0.103	24%	0.238	C	C	.	.	S	Bend	trans	94.4	-161.4	176.5	0	0	0	0	0	114.4	D61 N354	D61-G63 VanDerWaalsContact C-N 3.33Å; D61-G63 VanDerWaalsContact OD1-CA 3.24Å; D61-G63 WeakPolarHBondContact OD1-CA 3.44Å; D61-G63 PolarHBondContact OD1-N 3.3Å; G63-N354 PolarHBondContact O-ND2 3.38Å
64	Q	89.9	Confident	96	Very high	148 Å²	148	43.6 Å²	43.6	69%	0.692	23%	0.233	S	C	*	.	S	Bend	trans	68.2	-157.9	-170.4	-44.4	176.6	26.3	0	0	111.7	W67	Q64-W67 VanDerWaalsContact O-CD1 3.25Å; Q64-W67 PolarHBondContact O-NE1 2.94Å
65	K	92.6	Very high	96.4	Very high	92 Å²	92	36.6 Å²	36.6	40%	0.4	20%	0.195	S	C	.	.	S	Bend	trans	-119.9	13	-174.5	-63.4	-63.8	-175.1	175	0	113.5	W67 K68 D85 E87	K65-W67 HydrophobicContact CD-CZ2 4.1Å; K65-W67 PolarHBondContact O-N 3.26Å; K65-K68 PolarHBondContact O-N 3.12Å; K65-D85 WeakPolarHBondContact CE-OD2 3.4Å; K65-D85 IonicContact NZ-OD1 3.67Å; K65-D85 PolarHBondContact NZ-OD1 3.28Å; K65-D85 IonicContact NZ-OD2 2.62Å; K65-D85 PolarHBondContact NZ-OD2 3.48Å; K65-E87 IonicContact NZ-OE2 3.13Å; K65-E87 PolarHBondContact NZ-OE2 2.76Å
66	T	93.7	Very high	96.5	Very high	30 Å²	30	34.6 Å²	34.6	18%	0.184	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63	-25.9	176.2	45.1	0	0	0	0	112.3	K68 S69 Y70 N354 Y358	T66-K68 PolarHBondContact O-N 3.33Å; T66-S69 PolarHBondContact O-N 3.2Å; T66-Y70 WeakPolarHBondContact O-CD1 3.37Å; T66-Y70 WeakPolarHBondContact O-CE1 3.5Å; T66-Y70 PolarHBondContact OG1-OH 3.17Å; T66-N354 PolarHBondContact OG1-ND2 3.27Å; T66-Y358 HydrophobicContact CG2-CD2 4.21Å
67	W	96.9	Very high	96.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-54.7	-25.1	176	65.5	-108.9	0	0	0	114.2	Q64 K65 S69 Y70 W72 D85 E87 L88 Y91	Q64-W67 VanDerWaalsContact O-CD1 3.25Å; Q64-W67 PolarHBondContact O-NE1 2.94Å; K65-W67 HydrophobicContact CD-CZ2 4.1Å; K65-W67 PolarHBondContact O-N 3.26Å; W67-S69 PolarHBondContact O-N 3.48Å; W67-S69 VanDerWaalsContact O-N 3.13Å; W67-Y70 VanDerWaalsContact CA-CE2 3.45Å; W67-Y70 VanDerWaalsContact CA-CZ 3.47Å; W67-Y70 HydrophobicContact CB-CD2 3.9Å; W67-Y70 HydrophobicContact CB-CE2 3.59Å; W67-Y70 HydrophobicContact CB-CG 4.49Å; W67-Y70 PolarHBondContact O-N 3.48Å; W67-W72 HydrophobicContact CB-CZ2 4.39Å; W67-W72 HydrophobicContact CE3-CZ2 4.04Å; W67-W72 PolarHBondContact O-NE1 3.18Å; W67-D85 PolarHBondContact NE1-OD2 3.14Å; W67-E87 HydrophobicContact CH2-CB 4.15Å; W67-E87 HydrophobicContact CH2-CG 3.73Å; W67-E87 HydrophobicContact CZ2-CB 3.88Å; W67-E87 HydrophobicContact CZ2-CG 3.87Å; W67-L88 HydrophobicContact CB-CD1 3.8Å; W67-L88 HydrophobicContact CD2-CB 4Å; W67-L88 HydrophobicContact CD2-CD1 3.7Å; W67-L88 HydrophobicContact CD2-CG 4.37Å; W67-L88 HydrophobicContact CE3-CD1 3.93Å; W67-L88 HydrophobicContact CG-CB 4.27Å; W67-L88 HydrophobicContact CG-CD1 3.65Å; W67-L88 HydrophobicContact CG-CD2 4.35Å; W67-L88 HydrophobicContact CG-CG 4.3Å; W67-L88 HydrophobicContact CZ2-CB 4.13Å; W67-Y91 HydrophobicContact CE3-CD1 4.36Å; W67-Y91 HydrophobicContact CE3-CG 4.41Å; W67-Y91 HydrophobicContact CH2-CG 4.42Å; W67-Y91 AromaticContact CZ3-CD1 3.97Å; W67-Y91 HydrophobicContact CZ3-CD1 3.97Å; W67-Y91 HydrophobicContact CZ3-CD2 4.12Å; W67-Y91 AromaticContact CZ3-CG 3.6Å; W67-Y91 HydrophobicContact CZ3-CG 3.6Å
68	K	97.1	Very high	96.6	Very high	99 Å²	99	34.6 Å²	34.6	43%	0.43	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-61.7	-20.7	175.5	-68.8	-175.1	174	-171.6	0	113.3	K65 T66 E87	K65-K68 PolarHBondContact O-N 3.12Å; T66-K68 PolarHBondContact O-N 3.33Å; K68-E87 VanDerWaalsContact CE-CD 3.44Å; K68-E87 WeakPolarHBondContact CE-OE1 3.47Å; K68-E87 VanDerWaalsContact CE-OE2 3.31Å; K68-E87 WeakPolarHBondContact CE-OE2 3.47Å; K68-E87 VanDerWaalsContact NZ-CD 3.25Å; K68-E87 IonicContact NZ-OE1 3.87Å; K68-E87 PolarHBondContact NZ-OE1 3.3Å; K68-E87 IonicContact NZ-OE2 2.78Å; K68-E87 PolarHBondContact NZ-OE2 3.35Å; K68-E87 VanDerWaalsContact NZ-OE2 3.07Å
69	S	96.9	Very high	96.6	Very high	67 Å²	67	34.6 Å²	34.6	47%	0.469	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-110.6	5.1	-176.3	-55.3	0	0	0	0	113.2	T66 W67 Y358	T66-S69 PolarHBondContact O-N 3.2Å; W67-S69 PolarHBondContact O-N 3.48Å; W67-S69 VanDerWaalsContact O-N 3.13Å; S69-Y358 VanDerWaalsContact CB-CD1 3.42Å; S69-Y358 WeakPolarHBondContact O-CD1 3.4Å; S69-Y358 WeakPolarHBondContact O-CE1 3.19Å
70	Y	97.8	Very high	96.5	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.047	19%	0.193	C	C	.	.	S	Bend	trans	-67.4	158.1	175.6	-63.6	-8.5	0	0	0	111.1	V59 D61 T66 W67 W72 I75 A353 N354 Y358 W372	V59-Y70 HydrophobicContact CG1-CD2 4.42Å; V59-Y70 HydrophobicContact CG1-CE2 4.25Å; D61-Y70 HydrophobicContact CB-CE2 4.48Å; D61-Y70 WeakPolarHBondContact OD2-CE2 3.44Å; D61-Y70 PolarHBondContact OD2-OH 3.41Å; T66-Y70 WeakPolarHBondContact O-CD1 3.37Å; T66-Y70 WeakPolarHBondContact O-CE1 3.5Å; T66-Y70 PolarHBondContact OG1-OH 3.17Å; W67-Y70 VanDerWaalsContact CA-CE2 3.45Å; W67-Y70 VanDerWaalsContact CA-CZ 3.47Å; W67-Y70 HydrophobicContact CB-CD2 3.9Å; W67-Y70 HydrophobicContact CB-CE2 3.59Å; W67-Y70 HydrophobicContact CB-CG 4.49Å; W67-Y70 PolarHBondContact O-N 3.48Å; Y70-W72 VanDerWaalsContact C-N 3.33Å; Y70-W72 PolarHBondContact O-N 3.01Å; Y70-I75 HydrophobicContact CD2-CD1 4.25Å; Y70-I75 HydrophobicContact CG-CD1 4.49Å; Y70-A353 HydrophobicContact CD1-CB 4.25Å; Y70-A353 HydrophobicContact CD2-CB 4.11Å; Y70-A353 HydrophobicContact CE1-CB 3.69Å; Y70-A353 HydrophobicContact CE2-CB 3.55Å; Y70-A353 HydrophobicContact CG-CB 4.46Å; Y70-N354 PolarHBondContact OH-ND2 2.91Å; Y70-N354 PolarHBondContact OH-OD1 3.43Å; Y70-Y358 AromaticContact CD1-CE1 3.84Å; Y70-Y358 HydrophobicContact CD1-CE1 3.84Å; Y70-Y358 HydrophobicContact CD1-CE2 4.03Å; Y70-Y358 AromaticContact CD1-CZ 3.44Å; Y70-Y358 VanDerWaalsContact CD1-CZ 3.44Å; Y70-Y358 VanDerWaalsContact CD1-OH 3.23Å; Y70-Y358 WeakPolarHBondContact CD1-OH 3.28Å; Y70-Y358 HydrophobicContact CE1-CE1 4.37Å; Y70-Y358 AromaticContact CE1-CE2 3.72Å; Y70-Y358 HydrophobicContact CE1-CE2 3.72Å; Y70-Y358 AromaticContact CE1-CZ 3.57Å; Y70-Y358 WeakPolarHBondContact CE1-OH 3.33Å; Y70-W372 AromaticContact CD1-CZ2 3.89Å; Y70-W372 HydrophobicContact CD1-CZ2 3.89Å; Y70-W372 HydrophobicContact CD2-CH2 4.46Å; Y70-W372 HydrophobicContact CD2-CZ2 4.4Å; Y70-W372 HydrophobicContact CG-CH2 4.16Å; Y70-W372 AromaticContact CG-CZ2 3.72Å; Y70-W372 HydrophobicContact CG-CZ2 3.72Å
71	D	97.2	Very high	96.4	Very high	53 Å²	53	37.4 Å²	37.4	28%	0.283	20%	0.202	S	C	.	.			trans	-80.3	82.1	172.5	-179.6	12.1	0	0	0	111.1	S73 Q74 I75 W372	D71-S73 PolarHBondContact O-N 3.14Å; D71-S73 VanDerWaalsContact O-N 3.09Å; D71-S73 VanDerWaalsContact OD1-CB 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 2.94Å; D71-S73 VanDerWaalsContact OD1-N 3.16Å; D71-S73 PolarHBondContact OD1-OG 3.32Å; D71-S73 PolarHBondContact OD2-OG 3.32Å; D71-Q74 HydrophobicContact CB-CG 4.35Å; D71-Q74 VanDerWaalsContact O-CG 3.3Å; D71-Q74 WeakPolarHBondContact O-CG 3.24Å; D71-Q74 PolarHBondContact O-N 3.13Å; D71-Q74 PolarHBondContact OD2-NE2 3.48Å; D71-I75 WeakPolarHBondContact O-CG1 3.27Å; D71-W372 HydrophobicContact CB-CB 3.98Å; D71-W372 HydrophobicContact CB-CD2 3.68Å; D71-W372 HydrophobicContact CB-CE3 4.02Å; D71-W372 HydrophobicContact CB-CG 3.68Å
72	W	97.4	Very high	96.2	Very high	18 Å²	18	38.5 Å²	38.5	7%	0.068	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-6	179.4	-69.8	95.8	0	0	0	115	W67 Y70 Q74 I75 V78 L88 Y91 A92 K95 A97	W67-W72 HydrophobicContact CB-CZ2 4.39Å; W67-W72 HydrophobicContact CE3-CZ2 4.04Å; W67-W72 PolarHBondContact O-NE1 3.18Å; Y70-W72 VanDerWaalsContact C-N 3.33Å; Y70-W72 PolarHBondContact O-N 3.01Å; W72-Q74 PolarHBondContact O-N 3.42Å; W72-I75 HydrophobicContact CD2-CD1 4.08Å; W72-I75 HydrophobicContact CE3-CB 4.27Å; W72-I75 HydrophobicContact CE3-CD1 4.01Å; W72-I75 HydrophobicContact CE3-CG2 4.4Å; W72-I75 HydrophobicContact CG-CD1 4.49Å; W72-I75 HydrophobicContact CZ3-CD1 4.35Å; W72-I75 HydrophobicContact CZ3-CG2 4.24Å; W72-V78 HydrophobicContact CH2-CG2 3.86Å; W72-V78 HydrophobicContact CZ3-CG2 3.94Å; W72-L88 HydrophobicContact CH2-CD1 3.62Å; W72-L88 HydrophobicContact CZ2-CD1 3.76Å; W72-Y91 HydrophobicContact CB-CE1 4.37Å; W72-Y91 AromaticContact CD1-CE1 3.37Å; W72-Y91 AromaticContact CD2-CD1 3.91Å; W72-Y91 HydrophobicContact CD2-CD1 3.91Å; W72-Y91 AromaticContact CD2-CE1 3.68Å; W72-Y91 HydrophobicContact CD2-CE1 3.68Å; W72-Y91 AromaticContact CE2-CD1 3.55Å; W72-Y91 AromaticContact CE2-CE1 3.54Å; W72-Y91 HydrophobicContact CE3-CD1 4.49Å; W72-Y91 HydrophobicContact CG-CD1 4.28Å; W72-Y91 AromaticContact CG-CE1 3.56Å; W72-Y91 HydrophobicContact CG-CE1 3.56Å; W72-Y91 HydrophobicContact CH2-CD1 4.43Å; W72-Y91 AromaticContact CZ2-CD1 3.83Å; W72-Y91 HydrophobicContact CZ2-CD1 3.83Å; W72-Y91 HydrophobicContact CZ2-CE1 4.29Å; W72-Y91 AromaticContact NE1-CD1 3.74Å; W72-Y91 AromaticContact NE1-CE1 3.32Å; W72-Y91 VanDerWaalsContact NE1-CE1 3.32Å; W72-A92 HydrophobicContact CH2-CB 3.65Å; W72-A92 HydrophobicContact CZ3-CB 3.55Å; W72-K95 HydrophobicContact CB-CB 4.41Å; W72-K95 HydrophobicContact CB-CD 4.13Å; W72-K95 HydrophobicContact CB-CG 3.89Å; W72-K95 HydrophobicContact CD2-CG 4.23Å; W72-K95 HydrophobicContact CE3-CB 4.15Å; W72-K95 HydrophobicContact CE3-CG 4.15Å; W72-K95 HydrophobicContact CG-CG 4.17Å; W72-A97 HydrophobicContact CE3-CB 4.2Å; W72-A97 HydrophobicContact CZ3-CB 3.88Å
73	S	95.3	Very high	96.1	Very high	104 Å²	104	45.4 Å²	45.4	73%	0.727	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18	176.3	75.5	0	0	0	0	112.7	D71	D71-S73 PolarHBondContact O-N 3.14Å; D71-S73 VanDerWaalsContact O-N 3.09Å; D71-S73 VanDerWaalsContact OD1-CB 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 2.94Å; D71-S73 VanDerWaalsContact OD1-N 3.16Å; D71-S73 PolarHBondContact OD1-OG 3.32Å; D71-S73 PolarHBondContact OD2-OG 3.32Å
74	Q	95	Very high	96.2	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.042	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-21.9	-174.3	55.2	173.7	-24.2	0	0	116.1	V57 D71 W72 W372 K376	V57-Q74 WeakPolarHBondContact CB-O 3.41Å; V57-Q74 HydrophobicContact CG2-CB 4.5Å; D71-Q74 HydrophobicContact CB-CG 4.35Å; D71-Q74 VanDerWaalsContact O-CG 3.3Å; D71-Q74 WeakPolarHBondContact O-CG 3.24Å; D71-Q74 PolarHBondContact O-N 3.13Å; D71-Q74 PolarHBondContact OD2-NE2 3.48Å; W72-Q74 PolarHBondContact O-N 3.42Å; Q74-W372 HydrophobicContact CG-CE3 4.4Å; Q74-W372 VanDerWaalsContact NE2-C 3.33Å; Q74-W372 VanDerWaalsContact NE2-CE3 3.35Å; Q74-W372 PolarHBondContact NE2-O 2.98Å; Q74-W372 PolarHBondContact OE1-O 3.23Å; Q74-K376 HydrophobicContact CB-CD 3.83Å; Q74-K376 PolarHBondContact O-NZ 2.95Å
75	I	97.9	Very high	96.6	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.056	23%	0.225	C	C	.	.			trans	-62.8	131.9	-177	-61	174	0	0	0	110.5	V59 Y70 D71 W72 V78 A97 W372	V59-I75 HydrophobicContact CB-CG2 4.47Å; V59-I75 HydrophobicContact CG2-CB 4.43Å; V59-I75 HydrophobicContact CG2-CD1 4.05Å; V59-I75 HydrophobicContact CG2-CG1 3.81Å; V59-I75 HydrophobicContact CG2-CG2 3.93Å; Y70-I75 HydrophobicContact CD2-CD1 4.25Å; Y70-I75 HydrophobicContact CG-CD1 4.49Å; D71-I75 WeakPolarHBondContact O-CG1 3.27Å; W72-I75 HydrophobicContact CD2-CD1 4.08Å; W72-I75 HydrophobicContact CE3-CB 4.27Å; W72-I75 HydrophobicContact CE3-CD1 4.01Å; W72-I75 HydrophobicContact CE3-CG2 4.4Å; W72-I75 HydrophobicContact CG-CD1 4.49Å; W72-I75 HydrophobicContact CZ3-CD1 4.35Å; W72-I75 HydrophobicContact CZ3-CG2 4.24Å; I75-V78 HydrophobicContact CG2-CG2 3.77Å; I75-A97 HydrophobicContact CG2-CB 4.11Å; I75-W372 HydrophobicContact CD1-CH2 3.82Å; I75-W372 HydrophobicContact CD1-CZ3 4.09Å; I75-W372 HydrophobicContact CG1-CH2 4.19Å; I75-W372 HydrophobicContact CG1-CZ3 3.95Å
76	T	98.3	Very high	96.8	Very high	14 Å²	14	41 Å²	41	9%	0.086	22%	0.221	C	C	.	.			trans	-108.2	-35.2	176.5	59.7	0	0	0	0	112.7	P53 E56 V57 A97 R98	P53-T76 HydrophobicContact CB-CG2 3.72Å; P53-T76 HydrophobicContact CG-CG2 3.76Å; E56-T76 WeakPolarHBondContact CA-OG1 3.25Å; E56-T76 VanDerWaalsContact OE2-CB 3.32Å; E56-T76 WeakPolarHBondContact OE2-CB 3.49Å; E56-T76 PolarHBondContact OE2-OG1 3.02Å; V57-T76 PolarHBondContact N-OG1 3.04Å; V57-T76 PolarHBondContact O-N 3.47Å; V57-T76 PolarHBondContact O-OG1 3.48Å; T76-A97 WeakPolarHBondContact O-CA 3.4Å; T76-R98 PolarHBondContact O-N 3.02Å
77	T	98.8	Very high	97	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.8	177.8	-59.4	0	0	0	0	110.7	V57 F58 V59 R98 V100 Q172	V57-T77 PolarHBondContact O-N 3.39Å; F58-T77 HydrophobicContact CD2-CG2 3.84Å; F58-T77 HydrophobicContact CE2-CG2 3.5Å; F58-T77 VanDerWaalsContact CE2-CG2 3.5Å; F58-T77 HydrophobicContact CZ-CG2 4.25Å; V59-T77 PolarHBondContact N-O 3.46Å; T77-R98 CarbonylContact C-O 3.53Å; T77-R98 WeakPolarHBondContact CA-O 3.43Å; T77-R98 HydrophobicContact CG2-CB 3.99Å; T77-V100 HydrophobicContact CG2-CB 4.48Å; T77-V100 HydrophobicContact CG2-CG1 3.86Å; T77-V100 HydrophobicContact CG2-CG2 3.86Å; T77-Q172 VanDerWaalsContact CG2-OE1 3.29Å; T77-Q172 PolarHBondContact OG1-OE1 2.81Å
78	V	98.7	Very high	97.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.5	168.5	-175.1	0	0	0	0	109.8	V59 D61 W72 I75 T80 R98 V99 V100	V59-V78 HydrophobicContact CB-CG2 4.46Å; V59-V78 CarbonylContact O-C 3.48Å; V59-V78 VanDerWaalsContact O-CA 3.31Å; V59-V78 WeakPolarHBondContact O-CA 3.08Å; D61-V78 HydrophobicContact CB-CG1 3.78Å; W72-V78 HydrophobicContact CH2-CG2 3.86Å; W72-V78 HydrophobicContact CZ3-CG2 3.94Å; I75-V78 HydrophobicContact CG2-CG2 3.77Å; V78-T80 HydrophobicContact CG1-CG2 4.18Å; V78-R98 PolarHBondContact N-O 3.2Å; V78-V99 WeakPolarHBondContact O-CA 3.1Å; V78-V100 PolarHBondContact O-N 2.93Å
79	A	98.7	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.3	167.5	0	0	0	0	0	110	F58 V59 F60 D61 F81 V100 N136	F58-A79 HydrophobicContact CE1-CB 3.6Å; F58-A79 HydrophobicContact CZ-CB 3.8Å; V59-A79 PolarHBondContact O-N 3.31Å; F60-A79 HydrophobicContact CD1-CB 3.97Å; F60-A79 HydrophobicContact CE1-CB 4.05Å; F60-A79 HydrophobicContact CG-CB 4.44Å; D61-A79 PolarHBondContact N-O 2.83Å; A79-F81 HydrophobicContact CB-CE2 4.41Å; A79-V100 HydrophobicContact CB-CG2 3.82Å; A79-N136 HydrophobicContact CB-CB 4.09Å
80	T	97.6	Very high	97.2	Very high	17 Å²	17	36.2 Å²	36.2	10%	0.104	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.5	-174.3	62.6	0	0	0	0	111.3	V78 L88 V99 V100 M132	V78-T80 HydrophobicContact CG1-CG2 4.18Å; T80-L88 HydrophobicContact CG2-CD2 4.05Å; T80-V99 HydrophobicContact CG2-CG1 3.43Å; T80-V99 VanDerWaalsContact CG2-CG1 3.43Å; T80-V100 PolarHBondContact N-O 3.14Å; T80-V100 VanDerWaalsContact N-O 3.08Å; T80-V100 PolarHBondContact OG1-O 3.13Å; T80-M132 HydrophobicContact CG2-CE 4.24Å; T80-M132 VanDerWaalsContact OG1-CE 3.26Å; T80-M132 WeakPolarHBondContact OG1-CE 3.22Å
81	F	96.6	Very high	97.2	Very high	42 Å²	42	39.5 Å²	39.5	18%	0.184	20%	0.204	C	C	.	.			trans	-100.8	-10	174.2	-83.9	-128.7	0	0	0	112.2	F60 D61 V62 A79 K102 D138 W351	F60-F81 AromaticContact CD1-CD2 3.82Å; F60-F81 HydrophobicContact CD1-CD2 3.82Å; F60-F81 AromaticContact CD1-CE2 3.43Å; F60-F81 HydrophobicContact CD1-CE2 3.43Å; F60-F81 VanDerWaalsContact CD1-CE2 3.43Å; F60-F81 AromaticContact CD1-CZ 3.83Å; F60-F81 HydrophobicContact CD1-CZ 3.83Å; F60-F81 HydrophobicContact CE1-CD2 4.28Å; F60-F81 AromaticContact CE1-CE2 3.43Å; F60-F81 HydrophobicContact CE1-CE2 3.43Å; F60-F81 VanDerWaalsContact CE1-CE2 3.43Å; F60-F81 AromaticContact CE1-CZ 3.61Å; F60-F81 HydrophobicContact CE1-CZ 3.61Å; D61-F81 PolarHBondContact O-N 3.13Å; V62-F81 HydrophobicContact CG1-CB 4.19Å; A79-F81 HydrophobicContact CB-CE2 4.41Å; F81-K102 HydrophobicContact CD1-CD 3.63Å; F81-K102 HydrophobicContact CD1-CG 4.48Å; F81-K102 HydrophobicContact CD2-CB 4.16Å; F81-K102 HydrophobicContact CD2-CD 4.22Å; F81-K102 HydrophobicContact CD2-CG 4.27Å; F81-K102 HydrophobicContact CE1-CD 3.62Å; F81-K102 VanDerWaalsContact CE1-CE 3.49Å; F81-K102 HydrophobicContact CE1-CG 4.26Å; F81-K102 VanDerWaalsContact CE1-NZ 3.3Å; F81-K102 HydrophobicContact CE2-CB 4.19Å; F81-K102 HydrophobicContact CE2-CD 4.16Å; F81-K102 HydrophobicContact CE2-CG 3.98Å; F81-K102 HydrophobicContact CG-CD 3.95Å; F81-K102 HydrophobicContact CZ-CD 3.89Å; F81-K102 HydrophobicContact CZ-CG 4Å; F81-D138 HydrophobicContact CE1-CB 4.4Å; F81-D138 WeakPolarHBondContact CE1-OD2 3.23Å; F81-D138 HydrophobicContact CZ-CB 3.88Å; F81-W351 AromaticContact CD1-CH2 3.45Å; F81-W351 HydrophobicContact CD1-CH2 3.45Å; F81-W351 VanDerWaalsContact CD1-CH2 3.45Å; F81-W351 AromaticContact CD1-CZ3 3.64Å; F81-W351 HydrophobicContact CD1-CZ3 3.64Å; F81-W351 AromaticContact CE1-CH2 3.64Å; F81-W351 HydrophobicContact CE1-CH2 3.64Å; F81-W351 AromaticContact CE1-CZ3 3.52Å; F81-W351 HydrophobicContact CE1-CZ3 3.52Å; F81-W351 HydrophobicContact CE2-CZ3 4.47Å; F81-W351 HydrophobicContact CG-CH2 4.19Å; F81-W351 HydrophobicContact CG-CZ3 4.14Å; F81-W351 AromaticContact CZ-CZ3 3.99Å; F81-W351 HydrophobicContact CZ-CZ3 3.99Å
82	G	93	Very high	97.3	Very high	26 Å²	26	37 Å²	37	27%	0.268	19%	0.191	S	C	.	.	S	Bend	trans	-79.4	-177.5	169.4	0	0	0	0	0	113.9	D61	D61-G82 PolarHBondContact O-N 3.39Å
83	K	94.8	Very high	97.3	Very high	200 Å²	200	36.6 Å²	36.6	87%	0.87	19%	0.189	S	C	*	.	S	Bend	trans	-64.3	147.7	167.7	-65.9	-177.5	-179.4	179.6	0	109.6	D85	K83-D85 PolarHBondContact O-N 3.04Å
84	Y	96.6	Very high	97.5	Very high	78 Å²	78	34.6 Å²	34.6	31%	0.306	18%	0.175	S	C	.	.			trans	-52.3	126	173.6	173	-113.7	0	0	0	111.1	S86 M89 Q130 M132	Y84-S86 WeakPolarHBondContact OH-CB 3.25Å; Y84-M89 HydrophobicContact CE2-CB 4.25Å; Y84-Q130 VanDerWaalsContact CB-NE2 3.28Å; Y84-Q130 HydrophobicContact CD1-CG 4.01Å; Y84-Q130 HydrophobicContact CD2-CB 3.8Å; Y84-Q130 HydrophobicContact CD2-CG 3.92Å; Y84-Q130 HydrophobicContact CE1-CB 4.43Å; Y84-Q130 HydrophobicContact CE1-CG 4.13Å; Y84-Q130 HydrophobicContact CE2-CB 3.62Å; Y84-Q130 HydrophobicContact CE2-CG 4.07Å; Y84-Q130 WeakPolarHBondContact CE2-O 3.46Å; Y84-Q130 HydrophobicContact CG-CB 4.31Å; Y84-Q130 HydrophobicContact CG-CG 3.9Å; Y84-Q130 PolarHBondContact OH-O 2.94Å; Y84-M132 HydrophobicContact CD2-SD 4.15Å; Y84-M132 HydrophobicContact CE2-SD 4.12Å
85	D	97.5	Very high	97.6	Very high	35 Å²	35	39.1 Å²	39.1	19%	0.187	20%	0.195	C	C	.	.			trans	-124.7	102.6	178.3	-178.3	-0.3	0	0	0	107.7	K65 W67 K83 E87 L88 M89	K65-D85 WeakPolarHBondContact CE-OD2 3.4Å; K65-D85 IonicContact NZ-OD1 3.67Å; K65-D85 PolarHBondContact NZ-OD1 3.28Å; K65-D85 IonicContact NZ-OD2 2.62Å; K65-D85 PolarHBondContact NZ-OD2 3.48Å; W67-D85 PolarHBondContact NE1-OD2 3.14Å; K83-D85 PolarHBondContact O-N 3.04Å; D85-E87 PolarHBondContact O-N 2.85Å; D85-E87 VanDerWaalsContact OD1-CB 3.32Å; D85-E87 WeakPolarHBondContact OD1-CB 3.06Å; D85-E87 PolarHBondContact OD1-N 3.46Å; D85-E87 VanDerWaalsContact OD1-N 3.09Å; D85-L88 HydrophobicContact CB-CB 3.97Å; D85-L88 WeakPolarHBondContact O-CB 3.45Å; D85-L88 PolarHBondContact O-N 2.89Å; D85-L88 VanDerWaalsContact O-N 3.16Å; D85-M89 PolarHBondContact O-N 3.26Å; D85-M89 VanDerWaalsContact O-N 3.08Å
86	S	97.2	Very high	97.5	Very high	45 Å²	45	39.5 Å²	39.5	32%	0.315	20%	0.202	S	C	.	.	H	α-helix	trans	-63.6	-26.4	-179.1	59.6	0	0	0	0	112.4	Y84 M89 C90	Y84-S86 WeakPolarHBondContact OH-CB 3.25Å; S86-M89 PolarHBondContact O-N 2.95Å; S86-C90 WeakPolarHBondContact O-CB 3.27Å; S86-C90 PolarHBondContact O-N 2.64Å; S86-C90 PolarHBondContact O-SG 2.86Å
87	E	98	Very high	97.5	Very high	83 Å²	83	38.9 Å²	38.9	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-68.4	-40.8	176.5	-161.4	-165.1	177.8	0	0	110.8	K65 W67 K68 D85 Y91	K65-E87 IonicContact NZ-OE2 3.13Å; K65-E87 PolarHBondContact NZ-OE2 2.76Å; W67-E87 HydrophobicContact CH2-CB 4.15Å; W67-E87 HydrophobicContact CH2-CG 3.73Å; W67-E87 HydrophobicContact CZ2-CB 3.88Å; W67-E87 HydrophobicContact CZ2-CG 3.87Å; K68-E87 VanDerWaalsContact CE-CD 3.44Å; K68-E87 WeakPolarHBondContact CE-OE1 3.47Å; K68-E87 VanDerWaalsContact CE-OE2 3.31Å; K68-E87 WeakPolarHBondContact CE-OE2 3.47Å; K68-E87 VanDerWaalsContact NZ-CD 3.25Å; K68-E87 IonicContact NZ-OE1 3.87Å; K68-E87 PolarHBondContact NZ-OE1 3.3Å; K68-E87 IonicContact NZ-OE2 2.78Å; K68-E87 PolarHBondContact NZ-OE2 3.35Å; K68-E87 VanDerWaalsContact NZ-OE2 3.07Å; D85-E87 PolarHBondContact O-N 2.85Å; D85-E87 VanDerWaalsContact OD1-CB 3.32Å; D85-E87 WeakPolarHBondContact OD1-CB 3.06Å; D85-E87 PolarHBondContact OD1-N 3.46Å; D85-E87 VanDerWaalsContact OD1-N 3.09Å; E87-Y91 VanDerWaalsContact O-CB 3.23Å; E87-Y91 WeakPolarHBondContact O-CB 3.38Å; E87-Y91 PolarHBondContact O-N 3.11Å
88	L	98.3	Very high	97.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-49.9	172.7	169.8	56.3	0	0	0	110.6	W67 W72 T80 D85 C90 Y91 A92	W67-L88 HydrophobicContact CB-CD1 3.8Å; W67-L88 HydrophobicContact CD2-CB 4Å; W67-L88 HydrophobicContact CD2-CD1 3.7Å; W67-L88 HydrophobicContact CD2-CG 4.37Å; W67-L88 HydrophobicContact CE3-CD1 3.93Å; W67-L88 HydrophobicContact CG-CB 4.27Å; W67-L88 HydrophobicContact CG-CD1 3.65Å; W67-L88 HydrophobicContact CG-CD2 4.35Å; W67-L88 HydrophobicContact CG-CG 4.3Å; W67-L88 HydrophobicContact CZ2-CB 4.13Å; W72-L88 HydrophobicContact CH2-CD1 3.62Å; W72-L88 HydrophobicContact CZ2-CD1 3.76Å; T80-L88 HydrophobicContact CG2-CD2 4.05Å; D85-L88 HydrophobicContact CB-CB 3.97Å; D85-L88 WeakPolarHBondContact O-CB 3.45Å; D85-L88 PolarHBondContact O-N 2.89Å; D85-L88 VanDerWaalsContact O-N 3.16Å; L88-C90 PolarHBondContact O-N 2.7Å; L88-Y91 PolarHBondContact O-N 3.13Å; L88-A92 WeakPolarHBondContact O-CB 3.17Å; L88-A92 PolarHBondContact O-N 2.89Å
89	M	98.3	Very high	97.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-55.5	-53.1	179.4	178.4	-79.8	-66.1	0	0	111.3	P39 Y84 D85 S86 Y91 A92 H93 Y131	P39-M89 HydrophobicContact CG-CE 3.66Å; Y84-M89 HydrophobicContact CE2-CB 4.25Å; D85-M89 PolarHBondContact O-N 3.26Å; D85-M89 VanDerWaalsContact O-N 3.08Å; S86-M89 PolarHBondContact O-N 2.95Å; M89-Y91 VanDerWaalsContact C-N 3.31Å; M89-Y91 PolarHBondContact O-N 3.29Å; M89-A92 PolarHBondContact O-N 2.83Å; M89-H93 PolarHBondContact O-CD2 2.95Å; M89-H93 VanDerWaalsContact O-CD2 3.28Å; M89-H93 PolarHBondContact O-N 2.97Å; M89-Y131 HydrophobicContact CE-CD2 3.9Å; M89-Y131 HydrophobicContact CE-CG 4.17Å
90	C	98.3	Very high	97.5	Very high	8 Å²	8	39 Å²	39	5%	0.054	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-39.7	179.8	-64.6	0	0	0	0	112.6	C40 S86 L88 S94	C40-C90 WeakPolarHBondContact CA-SG 3.34Å; C40-C90 HydrophobicContact CB-CB 3.69Å; C40-C90 WeakPolarHBondContact CB-SG 3.49Å; C40-C90 PolarHBondContact N-SG 3.3Å; C40-C90 VanDerWaalsContact N-SG 3.36Å; C40-C90 WeakPolarHBondContact SG-CA 3.21Å; C40-C90 WeakPolarHBondContact SG-CB 3.42Å; C40-C90 CovalentContact SG-SG 2.03Å; C40-C90 PolarHBondContact SG-SG 3.41Å; S86-C90 WeakPolarHBondContact O-CB 3.27Å; S86-C90 PolarHBondContact O-N 2.64Å; S86-C90 PolarHBondContact O-SG 2.86Å; L88-C90 PolarHBondContact O-N 2.7Å; C90-S94 WeakPolarHBondContact O-CB 3.48Å; C90-S94 PolarHBondContact O-N 3.38Å
91	Y	98.4	Very high	97.6	Very high	82 Å²	82	38.5 Å²	38.5	32%	0.322	20%	0.195	S	C	.	.	H	α-helix	trans	-66.9	-46.2	178.3	-169.9	-84.5	0	0	0	111.4	W67 W72 E87 L88 M89 H93 S94 K95	W67-Y91 HydrophobicContact CE3-CD1 4.36Å; W67-Y91 HydrophobicContact CE3-CG 4.41Å; W67-Y91 HydrophobicContact CH2-CG 4.42Å; W67-Y91 AromaticContact CZ3-CD1 3.97Å; W67-Y91 HydrophobicContact CZ3-CD1 3.97Å; W67-Y91 HydrophobicContact CZ3-CD2 4.12Å; W67-Y91 AromaticContact CZ3-CG 3.6Å; W67-Y91 HydrophobicContact CZ3-CG 3.6Å; W72-Y91 HydrophobicContact CB-CE1 4.37Å; W72-Y91 AromaticContact CD1-CE1 3.37Å; W72-Y91 AromaticContact CD2-CD1 3.91Å; W72-Y91 HydrophobicContact CD2-CD1 3.91Å; W72-Y91 AromaticContact CD2-CE1 3.68Å; W72-Y91 HydrophobicContact CD2-CE1 3.68Å; W72-Y91 AromaticContact CE2-CD1 3.55Å; W72-Y91 AromaticContact CE2-CE1 3.54Å; W72-Y91 HydrophobicContact CE3-CD1 4.49Å; W72-Y91 HydrophobicContact CG-CD1 4.28Å; W72-Y91 AromaticContact CG-CE1 3.56Å; W72-Y91 HydrophobicContact CG-CE1 3.56Å; W72-Y91 HydrophobicContact CH2-CD1 4.43Å; W72-Y91 AromaticContact CZ2-CD1 3.83Å; W72-Y91 HydrophobicContact CZ2-CD1 3.83Å; W72-Y91 HydrophobicContact CZ2-CE1 4.29Å; W72-Y91 AromaticContact NE1-CD1 3.74Å; W72-Y91 AromaticContact NE1-CE1 3.32Å; W72-Y91 VanDerWaalsContact NE1-CE1 3.32Å; E87-Y91 VanDerWaalsContact O-CB 3.23Å; E87-Y91 WeakPolarHBondContact O-CB 3.38Å; E87-Y91 PolarHBondContact O-N 3.11Å; L88-Y91 PolarHBondContact O-N 3.13Å; M89-Y91 VanDerWaalsContact C-N 3.31Å; M89-Y91 PolarHBondContact O-N 3.29Å; Y91-H93 VanDerWaalsContact C-N 3.33Å; Y91-H93 PolarHBondContact O-N 2.98Å; Y91-S94 WeakPolarHBondContact O-CB 3.31Å; Y91-S94 PolarHBondContact O-N 3.22Å; Y91-S94 VanDerWaalsContact O-N 3.14Å; Y91-S94 PolarHBondContact O-OG 2.8Å; Y91-K95 HydrophobicContact CD1-CG 4.15Å; Y91-K95 HydrophobicContact CE1-CD 4.33Å; Y91-K95 HydrophobicContact CE1-CG 3.8Å; Y91-K95 VanDerWaalsContact CZ-CE 3.41Å; Y91-K95 WeakPolarHBondContact O-CG 3.46Å; Y91-K95 PolarHBondContact O-N 3.47Å; Y91-K95 WeakPolarHBondContact OH-CE 2.88Å
92	A	98.4	Very high	97.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-47.2	176.6	0	0	0	0	0	111.4	W72 L88 M89 S94 K95 G96 A97 V99	W72-A92 HydrophobicContact CH2-CB 3.65Å; W72-A92 HydrophobicContact CZ3-CB 3.55Å; L88-A92 WeakPolarHBondContact O-CB 3.17Å; L88-A92 PolarHBondContact O-N 2.89Å; M89-A92 PolarHBondContact O-N 2.83Å; A92-S94 VanDerWaalsContact C-N 3.29Å; A92-S94 PolarHBondContact O-N 2.61Å; A92-K95 CarbonylContact O-C 3.2Å; A92-K95 WeakPolarHBondContact O-CA 3.16Å; A92-K95 WeakPolarHBondContact O-CB 3.41Å; A92-K95 PolarHBondContact O-N 3.49Å; A92-G96 PolarHBondContact O-N 3.4Å; A92-G96 VanDerWaalsContact O-N 3.13Å; A92-A97 CarbonylContact C-O 3.47Å; A92-A97 HydrophobicContact CB-CB 4.24Å; A92-A97 PolarHBondContact O-N 2.85Å; A92-V99 HydrophobicContact CB-CG2 3.31Å
93	H	98.3	Very high	97.9	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-34.7	178.6	-71.5	-155.9	0	0	0	111.8	L45 I49 M89 Y91 K95 G96 A97 Y131 D133	L45-H93 HydrophobicContact CB-CB 4.23Å; L45-H93 HydrophobicContact CD2-CB 4.27Å; L45-H93 WeakPolarHBondContact O-CB 3.49Å; L45-H93 PolarHBondContact O-ND1 3.48Å; I49-H93 HydrophobicContact CD1-CB 4.3Å; M89-H93 PolarHBondContact O-CD2 2.95Å; M89-H93 VanDerWaalsContact O-CD2 3.28Å; M89-H93 PolarHBondContact O-N 2.97Å; Y91-H93 VanDerWaalsContact C-N 3.33Å; Y91-H93 PolarHBondContact O-N 2.98Å; H93-K95 PolarHBondContact O-N 3Å; H93-K95 VanDerWaalsContact O-N 3.17Å; H93-G96 PolarHBondContact O-N 3.37Å; H93-A97 PolarHBondContact CD2-O 2.86Å; H93-Y131 PolarHBondContact CE1-O 2.92Å; H93-D133 IonicContact CD2-OD2 3.64Å; H93-D133 IonicContact CE1-OD1 2.71Å; H93-D133 IonicContact CE1-OD2 2.78Å; H93-D133 IonicContact NE2-OD1 2.74Å; H93-D133 IonicContact NE2-OD2 2.89Å; H93-D133 PolarHBondContact NE2-OD2 2.79Å
94	S	97.9	Very high	98	Very high	62 Å²	62	32.6 Å²	32.6	43%	0.434	17%	0.166	S	C	.	.	H	α-helix	trans	-63.9	-18.8	173.1	82.9	0	0	0	0	113.4	C90 Y91 A92	C90-S94 WeakPolarHBondContact O-CB 3.48Å; C90-S94 PolarHBondContact O-N 3.38Å; Y91-S94 WeakPolarHBondContact O-CB 3.31Å; Y91-S94 PolarHBondContact O-N 3.22Å; Y91-S94 VanDerWaalsContact O-N 3.14Å; Y91-S94 PolarHBondContact O-OG 2.8Å; A92-S94 VanDerWaalsContact C-N 3.29Å; A92-S94 PolarHBondContact O-N 2.61Å
95	K	97.7	Very high	98.1	Very high	105 Å²	105	29.7 Å²	29.7	46%	0.457	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.8	174.2	-58.1	-63.5	-179.8	-176.3	0	112.8	W72 Y91 A92 H93 A97	W72-K95 HydrophobicContact CB-CB 4.41Å; W72-K95 HydrophobicContact CB-CD 4.13Å; W72-K95 HydrophobicContact CB-CG 3.89Å; W72-K95 HydrophobicContact CD2-CG 4.23Å; W72-K95 HydrophobicContact CE3-CB 4.15Å; W72-K95 HydrophobicContact CE3-CG 4.15Å; W72-K95 HydrophobicContact CG-CG 4.17Å; Y91-K95 HydrophobicContact CD1-CG 4.15Å; Y91-K95 HydrophobicContact CE1-CD 4.33Å; Y91-K95 HydrophobicContact CE1-CG 3.8Å; Y91-K95 VanDerWaalsContact CZ-CE 3.41Å; Y91-K95 WeakPolarHBondContact O-CG 3.46Å; Y91-K95 PolarHBondContact O-N 3.47Å; Y91-K95 WeakPolarHBondContact OH-CE 2.88Å; A92-K95 CarbonylContact O-C 3.2Å; A92-K95 WeakPolarHBondContact O-CA 3.16Å; A92-K95 WeakPolarHBondContact O-CB 3.41Å; A92-K95 PolarHBondContact O-N 3.49Å; H93-K95 PolarHBondContact O-N 3Å; H93-K95 VanDerWaalsContact O-N 3.17Å; K95-A97 PolarHBondContact O-N 2.95Å
96	G	97.1	Very high	98.1	Very high	19 Å²	19	30 Å²	30	20%	0.196	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	10	-172.8	0	0	0	0	0	113.9	H51 A92 H93	H51-G96 PolarHBondContact CE1-O 3.43Å; H51-G96 PolarHBondContact NE2-O 3.28Å; A92-G96 PolarHBondContact O-N 3.4Å; A92-G96 VanDerWaalsContact O-N 3.13Å; H93-G96 PolarHBondContact O-N 3.37Å
97	A	98.1	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.			trans	-83.6	138.9	176.2	0	0	0	0	0	110.4	W72 I75 T76 A92 H93 K95	W72-A97 HydrophobicContact CE3-CB 4.2Å; W72-A97 HydrophobicContact CZ3-CB 3.88Å; I75-A97 HydrophobicContact CG2-CB 4.11Å; T76-A97 WeakPolarHBondContact O-CA 3.4Å; A92-A97 CarbonylContact C-O 3.47Å; A92-A97 HydrophobicContact CB-CB 4.24Å; A92-A97 PolarHBondContact O-N 2.85Å; H93-A97 PolarHBondContact CD2-O 2.86Å; K95-A97 PolarHBondContact O-N 2.95Å
98	R	98.6	Very high	97.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	152.7	171.9	-74.4	179.9	177.4	75.9	4.8	111.5	I49 H51 T76 T77 V78 D133	I49-R98 HydrophobicContact CB-CG 3.89Å; I49-R98 HydrophobicContact CG2-CG 4.02Å; I49-R98 PolarHBondContact O-NH2 2.85Å; H51-R98 PolarHBondContact O-NH1 3.18Å; H51-R98 PolarHBondContact O-NH2 3.12Å; T76-R98 PolarHBondContact O-N 3.02Å; T77-R98 CarbonylContact C-O 3.53Å; T77-R98 WeakPolarHBondContact CA-O 3.43Å; T77-R98 HydrophobicContact CG2-CB 3.99Å; V78-R98 PolarHBondContact N-O 3.2Å; R98-D133 WeakPolarHBondContact CA-OD2 3.13Å; R98-D133 HydrophobicContact CB-CB 3.91Å; R98-D133 HydrophobicContact CG-CB 3.81Å
99	V	98.6	Very high	97.9	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.6	166.3	-170.7	0	0	0	0	110.2	V78 T80 A92 M132 D133	V78-V99 WeakPolarHBondContact O-CA 3.1Å; T80-V99 HydrophobicContact CG2-CG1 3.43Å; T80-V99 VanDerWaalsContact CG2-CG1 3.43Å; A92-V99 HydrophobicContact CB-CG2 3.31Å; V99-M132 HydrophobicContact CB-SD 4.39Å; V99-M132 HydrophobicContact CG1-CE 3.68Å; V99-M132 HydrophobicContact CG1-SD 3.89Å; V99-M132 CarbonylContact O-C 3.48Å; V99-M132 WeakPolarHBondContact O-CA 3.13Å; V99-M132 WeakPolarHBondContact O-CB 3.23Å; V99-D133 PolarHBondContact N-OD2 2.03Å; V99-D133 PolarHBondContact O-N 2.88Å
100	V	98.8	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.4	-175.6	-59.3	0	0	0	0	111.9	F58 T77 V78 A79 T80 N136 Q172	F58-V100 HydrophobicContact CZ-CG2 4.25Å; T77-V100 HydrophobicContact CG2-CB 4.48Å; T77-V100 HydrophobicContact CG2-CG1 3.86Å; T77-V100 HydrophobicContact CG2-CG2 3.86Å; V78-V100 PolarHBondContact O-N 2.93Å; A79-V100 HydrophobicContact CB-CG2 3.82Å; T80-V100 PolarHBondContact N-O 3.14Å; T80-V100 VanDerWaalsContact N-O 3.08Å; T80-V100 PolarHBondContact OG1-O 3.13Å; V100-N136 HydrophobicContact CG2-CB 3.97Å; V100-Q172 HydrophobicContact CG1-CB 4.42Å
101	L	98.7	Very high	97.9	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	152.9	175.7	-69.7	174.9	0	0	0	111.7	K123 L126 A127 M132 G134 I135 N136	L101-K123 WeakPolarHBondContact CD1-O 3.33Å; L101-L126 HydrophobicContact CD1-CB 4.35Å; L101-L126 HydrophobicContact CD1-CD2 4.27Å; L101-L126 HydrophobicContact CD1-CG 4.32Å; L101-L126 HydrophobicContact CD2-CD2 4Å; L101-L126 HydrophobicContact CD2-CG 4.14Å; L101-A127 HydrophobicContact CD1-CB 3.71Å; L101-A127 HydrophobicContact CG-CB 4.43Å; L101-M132 HydrophobicContact CD2-CB 4.37Å; L101-M132 HydrophobicContact CD2-CE 3.87Å; L101-M132 HydrophobicContact CD2-CG 3.71Å; L101-M132 HydrophobicContact CG-CB 4.03Å; L101-M132 HydrophobicContact CG-CE 4.44Å; L101-M132 HydrophobicContact CG-CG 3.93Å; L101-G134 PolarHBondContact N-O 2.83Å; L101-I135 HydrophobicContact CB-CB 4.24Å; L101-I135 HydrophobicContact CB-CG1 4.05Å; L101-I135 CarbonylContact O-C 3.56Å; L101-I135 WeakPolarHBondContact O-CA 3.48Å; L101-N136 PolarHBondContact O-N 2.91Å
102	K	98.3	Very high	97.9	Very high	66 Å²	66	38.6 Å²	38.6	29%	0.287	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.8	154.7	-174.2	-179	-176.6	164.3	0	110.9	F81 K123 D138	F81-K102 HydrophobicContact CD1-CD 3.63Å; F81-K102 HydrophobicContact CD1-CG 4.48Å; F81-K102 HydrophobicContact CD2-CB 4.16Å; F81-K102 HydrophobicContact CD2-CD 4.22Å; F81-K102 HydrophobicContact CD2-CG 4.27Å; F81-K102 HydrophobicContact CE1-CD 3.62Å; F81-K102 VanDerWaalsContact CE1-CE 3.49Å; F81-K102 HydrophobicContact CE1-CG 4.26Å; F81-K102 VanDerWaalsContact CE1-NZ 3.3Å; F81-K102 HydrophobicContact CE2-CB 4.19Å; F81-K102 HydrophobicContact CE2-CD 4.16Å; F81-K102 HydrophobicContact CE2-CG 3.98Å; F81-K102 HydrophobicContact CG-CD 3.95Å; F81-K102 HydrophobicContact CZ-CD 3.89Å; F81-K102 HydrophobicContact CZ-CG 4Å; K102-K123 PolarHBondContact O-NZ 3.02Å; K102-D138 WeakPolarHBondContact CE-OD2 3.35Å; K102-D138 IonicContact NZ-OD2 2.7Å; K102-D138 PolarHBondContact NZ-OD2 3.36Å
103	G	98	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.1	167.1	0	0	0	0	0	110.8	N136 I137 D138	G103-N136 PolarHBondContact N-O 3.21Å; G103-I137 CarbonylContact O-C 3.58Å; G103-I137 WeakPolarHBondContact O-CA 3.44Å; G103-D138 PolarHBondContact O-N 3.03Å
104	D	96.9	Very high	97.9	Very high	79 Å²	79	44.7 Å²	44.7	42%	0.422	25%	0.248	S	C	.	.			trans	-146.5	140.7	169.5	178.9	22.5	0	0	0	107.8	W119	D104-W119 PolarHBondContact O-NE1 3.33Å
105	V	97.8	Very high	97.9	Very high	16 Å²	16	44.2 Å²	44.2	10%	0.097	25%	0.245	C	C	.	.			trans	-156.1	143.5	-179.6	59.4	0	0	0	0	109.5	L107 D109 I110 W119 I139 Q141 L156	V105-L107 PolarHBondContact O-N 3.28Å; V105-D109 HydrophobicContact CG2-CB 4.26Å; V105-I110 HydrophobicContact CB-CG2 4.31Å; V105-I110 HydrophobicContact CG1-CG2 3.5Å; V105-I110 HydrophobicContact CG2-CG2 3.83Å; V105-W119 HydrophobicContact CB-CD2 4.4Å; V105-W119 HydrophobicContact CB-CG 4.5Å; V105-W119 HydrophobicContact CB-CZ2 4.28Å; V105-W119 HydrophobicContact CG1-CD2 4.43Å; V105-W119 HydrophobicContact CG1-CZ2 4.17Å; V105-W119 HydrophobicContact CG2-CG 4.38Å; V105-I139 HydrophobicContact CG1-CD1 3.75Å; V105-Q141 PolarHBondContact O-NE2 3.32Å; V105-L156 HydrophobicContact CG1-CD2 3.73Å
106	S	97.6	Very high	98	Very high	41 Å²	41	40 Å²	40	29%	0.287	23%	0.226	S	C	.	.			trans	-58.8	133.6	175.1	168.1	0	0	0	0	110.8	K108 D109	S106-K108 PolarHBondContact O-N 3.28Å; S106-K108 PolarHBondContact OG-N 3.16Å; S106-D109 WeakPolarHBondContact CB-OD2 3.16Å; S106-D109 PolarHBondContact O-N 3.42Å
107	L	96.8	Very high	98	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.7	178.1	-74.5	175.7	0	0	0	112.9	V105 D109 I110 I139 Q141 V143 E149 L153	V105-L107 PolarHBondContact O-N 3.28Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.84Å; L107-I110 HydrophobicContact CD2-CD1 3.74Å; L107-I110 WeakPolarHBondContact O-CG1 3.48Å; L107-I139 HydrophobicContact CD2-CG2 3.77Å; L107-I139 HydrophobicContact CG-CG2 3.95Å; L107-Q141 HydrophobicContact CD1-CB 3.37Å; L107-Q141 HydrophobicContact CD1-CG 4.47Å; L107-Q141 HydrophobicContact CG-CB 3.92Å; L107-Q141 VanDerWaalsContact N-OE1 3.1Å; L107-V143 HydrophobicContact CD1-CG2 3.28Å; L107-V143 HydrophobicContact CD2-CG2 4.27Å; L107-V143 HydrophobicContact CG-CG2 4.41Å; L107-E149 HydrophobicContact CB-CB 4.34Å; L107-E149 HydrophobicContact CB-CG 3.95Å; L107-E149 WeakPolarHBondContact O-CG 3.28Å; L107-L153 HydrophobicContact CD2-CB 4.46Å; L107-L153 HydrophobicContact CD2-CD1 4.06Å; L107-L153 HydrophobicContact CD2-CD2 4.37Å
108	K	95.9	Very high	98.1	Very high	159 Å²	159	44.7 Å²	44.7	69%	0.691	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.9	177.3	-64.2	-179.1	-179.9	176.9	0	112.1	S106 I110	S106-K108 PolarHBondContact O-N 3.28Å; S106-K108 PolarHBondContact OG-N 3.16Å; K108-I110 VanDerWaalsContact C-N 3.32Å
109	D	97.1	Very high	98.1	Very high	91 Å²	91	46 Å²	46	49%	0.487	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-23.1	-175.3	-60.4	-12.6	0	0	0	111.1	V105 S106 L107 I111 S115	V105-D109 HydrophobicContact CG2-CB 4.26Å; S106-D109 WeakPolarHBondContact CB-OD2 3.16Å; S106-D109 PolarHBondContact O-N 3.42Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.84Å; D109-I111 VanDerWaalsContact C-N 3.35Å; D109-S115 WeakPolarHBondContact O-CB 3.47Å
110	I	98	Very high	98.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.6	-177	67.2	165.8	0	0	0	113.3	V105 L107 K108 D112 R116 A152 L153 L156	V105-I110 HydrophobicContact CB-CG2 4.31Å; V105-I110 HydrophobicContact CG1-CG2 3.5Å; V105-I110 HydrophobicContact CG2-CG2 3.83Å; L107-I110 HydrophobicContact CD2-CD1 3.74Å; L107-I110 WeakPolarHBondContact O-CG1 3.48Å; K108-I110 VanDerWaalsContact C-N 3.32Å; I110-D112 VanDerWaalsContact C-N 3.27Å; I110-D112 PolarHBondContact O-N 3.15Å; I110-R116 HydrophobicContact CB-CG 3.84Å; I110-R116 HydrophobicContact CG2-CG 4.37Å; I110-R116 WeakPolarHBondContact O-CD 3.49Å; I110-R116 WeakPolarHBondContact O-CG 3.32Å; I110-R116 PolarHBondContact O-NH1 2.99Å; I110-A152 HydrophobicContact CD1-CB 4.28Å; I110-A152 HydrophobicContact CG1-CB 4.13Å; I110-L153 HydrophobicContact CD1-CB 4.03Å; I110-L153 HydrophobicContact CD1-CD1 4.05Å; I110-L156 HydrophobicContact CD1-CB 4.43Å; I110-L156 HydrophobicContact CD1-CD2 4.28Å; I110-L156 HydrophobicContact CG2-CD1 4.04Å; I110-L156 HydrophobicContact CG2-CD2 3.94Å; I110-L156 HydrophobicContact CG2-CG 4.46Å
111	I	98.1	Very high	98.1	Very high	70 Å²	70	49 Å²	49	36%	0.359	29%	0.288	S	S	.	.	S	Bend	trans	-61.9	-41.1	176.5	-59.3	173.3	0	0	0	110	D109 P113 R116 P148 E149	D109-I111 VanDerWaalsContact C-N 3.35Å; I111-P113 WeakPolarHBondContact O-CD 3.33Å; I111-R116 PolarHBondContact O-NH1 3.47Å; I111-P148 HydrophobicContact CD1-CB 4.37Å; I111-P148 HydrophobicContact CG1-CB 4.39Å; I111-P148 HydrophobicContact CG2-CB 4.05Å; I111-E149 HydrophobicContact CD1-CG 4.03Å; I111-E149 WeakPolarHBondContact CD1-OE1 3.33Å; I111-E149 HydrophobicContact CG1-CG 4.07Å
112	D	98.3	Very high	98.1	Very high	76 Å²	76	54.4 Å²	54.4	41%	0.406	31%	0.314	S	S	.	.	S	Bend	trans	-78.2	117.5	176.5	170	31.7	0	0	0	111.3	I110 A114 S115 R116	I110-D112 VanDerWaalsContact C-N 3.27Å; I110-D112 PolarHBondContact O-N 3.15Å; D112-A114 PolarHBondContact O-N 3Å; D112-A114 PolarHBondContact OD1-N 3.49Å; D112-A114 VanDerWaalsContact OD1-N 3.07Å; D112-S115 WeakPolarHBondContact O-CB 3.23Å; D112-S115 PolarHBondContact O-N 3.25Å; D112-S115 VanDerWaalsContact O-N 3.13Å; D112-S115 WeakPolarHBondContact OD2-CB 3.36Å; D112-S115 PolarHBondContact OD2-N 3.43Å; D112-S115 VanDerWaalsContact OD2-N 3.09Å; D112-S115 PolarHBondContact OD2-OG 3.29Å; D112-R116 PolarHBondContact O-N 2.91Å; D112-R116 VanDerWaalsContact O-N 3.07Å
113	P	98.5	Very high	98.1	Very high	73 Å²	73	53.1 Å²	53.1	47%	0.474	31%	0.308	S	S	.	.	H	α-helix	trans	-58.3	-31.6	177.8	-23.5	34.1	0	0	0	114.2	I111 R116 A117	I111-P113 WeakPolarHBondContact O-CD 3.33Å; P113-R116 PolarHBondContact O-N 2.94Å; P113-A117 WeakPolarHBondContact O-CB 3.19Å; P113-A117 PolarHBondContact O-N 2.7Å
114	A	98.6	Very high	98.2	Very high	64 Å²	64	53.6 Å²	53.6	53%	0.529	31%	0.311	S	S	.	.	H	α-helix	trans	-69.1	-39	178.3	0	0	0	0	0	111.4	D112 A117 S118	D112-A114 PolarHBondContact O-N 3Å; D112-A114 PolarHBondContact OD1-N 3.49Å; D112-A114 VanDerWaalsContact OD1-N 3.07Å; A114-A117 PolarHBondContact O-N 3.26Å; A114-S118 WeakPolarHBondContact O-CB 3.5Å; A114-S118 PolarHBondContact O-N 3.36Å
115	S	98.6	Very high	98.2	Very high	52 Å²	52	54.9 Å²	54.9	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-43.2	173.3	-64.1	0	0	0	0	111.9	D109 D112 S118 W119	D109-S115 WeakPolarHBondContact O-CB 3.47Å; D112-S115 WeakPolarHBondContact O-CB 3.23Å; D112-S115 PolarHBondContact O-N 3.25Å; D112-S115 VanDerWaalsContact O-N 3.13Å; D112-S115 WeakPolarHBondContact OD2-CB 3.36Å; D112-S115 PolarHBondContact OD2-N 3.43Å; D112-S115 VanDerWaalsContact OD2-N 3.09Å; D112-S115 PolarHBondContact OD2-OG 3.29Å; S115-S118 PolarHBondContact O-N 3.1Å; S115-W119 PolarHBondContact O-N 3.04Å
116	R	98.7	Very high	98.3	Very high	17 Å²	17	57 Å²	57	6%	0.064	33%	0.328	C	S	.	.	H	α-helix	trans	-58	-51.4	171.9	-65	-162.2	-57.4	-87.9	4.9	112	I110 I111 D112 P113 S118 W119 I120 L156 E159	I110-R116 HydrophobicContact CB-CG 3.84Å; I110-R116 HydrophobicContact CG2-CG 4.37Å; I110-R116 WeakPolarHBondContact O-CD 3.49Å; I110-R116 WeakPolarHBondContact O-CG 3.32Å; I110-R116 PolarHBondContact O-NH1 2.99Å; I111-R116 PolarHBondContact O-NH1 3.47Å; D112-R116 PolarHBondContact O-N 2.91Å; D112-R116 VanDerWaalsContact O-N 3.07Å; P113-R116 PolarHBondContact O-N 2.94Å; R116-S118 VanDerWaalsContact C-N 3.29Å; R116-S118 PolarHBondContact O-N 2.94Å; R116-W119 PolarHBondContact O-N 2.96Å; R116-I120 WeakPolarHBondContact O-CB 3.42Å; R116-I120 VanDerWaalsContact O-CG1 3.22Å; R116-I120 WeakPolarHBondContact O-CG1 3.27Å; R116-I120 PolarHBondContact O-N 2.73Å; R116-L156 HydrophobicContact CB-CD1 4.07Å; R116-L156 HydrophobicContact CG-CD1 3.9Å; R116-E159 IonicContact CZ-OE1 3.52Å; R116-E159 IonicContact CZ-OE2 3.65Å; R116-E159 IonicContact NE-OE1 3.39Å; R116-E159 PolarHBondContact NE-OE1 3.19Å; R116-E159 IonicContact NE-OE2 2.82Å; R116-E159 PolarHBondContact NE-OE2 3.48Å; R116-E159 IonicContact NH2-OE1 2.63Å; R116-E159 PolarHBondContact NH2-OE1 2.98Å; R116-E159 IonicContact NH2-OE2 3.99Å
117	A	98.8	Very high	98.3	Very high	55 Å²	55	55.1 Å²	55.1	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-40.9	-179.5	0	0	0	0	0	112.3	P113 A114 A121	P113-A117 WeakPolarHBondContact O-CB 3.19Å; P113-A117 PolarHBondContact O-N 2.7Å; A114-A117 PolarHBondContact O-N 3.26Å; A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 3.17Å
118	S	98.8	Very high	98.4	Very high	62 Å²	62	59 Å²	59	43%	0.434	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-47.3	175.7	-176.5	0	0	0	0	112	A114 S115 R116 A121 Q122	A114-S118 WeakPolarHBondContact O-CB 3.5Å; A114-S118 PolarHBondContact O-N 3.36Å; S115-S118 PolarHBondContact O-N 3.1Å; R116-S118 VanDerWaalsContact C-N 3.29Å; R116-S118 PolarHBondContact O-N 2.94Å; S118-A121 PolarHBondContact O-N 3.41Å; S118-Q122 VanDerWaalsContact O-CG 3.28Å; S118-Q122 WeakPolarHBondContact O-CG 3.32Å; S118-Q122 PolarHBondContact O-N 3.11Å; S118-Q122 PolarHBondContact OG-NE2 3.21Å
119	W	98.8	Very high	98.4	Very high	28 Å²	28	54.4 Å²	54.4	11%	0.106	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-44	177.4	179.2	91.4	0	0	0	111.9	D104 V105 S115 R116 A121 Q122 K123 I135 L156 T160	D104-W119 PolarHBondContact O-NE1 3.33Å; V105-W119 HydrophobicContact CB-CD2 4.4Å; V105-W119 HydrophobicContact CB-CG 4.5Å; V105-W119 HydrophobicContact CB-CZ2 4.28Å; V105-W119 HydrophobicContact CG1-CD2 4.43Å; V105-W119 HydrophobicContact CG1-CZ2 4.17Å; V105-W119 HydrophobicContact CG2-CG 4.38Å; S115-W119 PolarHBondContact O-N 3.04Å; R116-W119 PolarHBondContact O-N 2.96Å; W119-A121 PolarHBondContact O-N 2.93Å; W119-Q122 WeakPolarHBondContact O-CB 3.2Å; W119-Q122 PolarHBondContact O-N 3.04Å; W119-K123 HydrophobicContact CD2-CG 4.03Å; W119-K123 HydrophobicContact CE3-CG 4.32Å; W119-K123 HydrophobicContact CH2-CG 4.22Å; W119-K123 HydrophobicContact CZ2-CD 4.35Å; W119-K123 HydrophobicContact CZ2-CG 3.93Å; W119-K123 HydrophobicContact CZ3-CG 4.4Å; W119-K123 WeakPolarHBondContact O-CG 3.48Å; W119-K123 PolarHBondContact O-N 2.71Å; W119-I135 HydrophobicContact CH2-CD1 3.9Å; W119-I135 HydrophobicContact CZ2-CD1 4.37Å; W119-L156 HydrophobicContact CE3-CD1 3.85Å; W119-L156 HydrophobicContact CZ3-CD1 3.96Å; W119-L156 HydrophobicContact CZ3-CG 4.39Å; W119-T160 HydrophobicContact CZ3-CG2 4.48Å
120	I	98.9	Very high	98.5	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-47.4	177.2	-66.7	165.2	0	0	0	110.4	R116 Q122 K123 V124 E159 T160 T163	R116-I120 WeakPolarHBondContact O-CB 3.42Å; R116-I120 VanDerWaalsContact O-CG1 3.22Å; R116-I120 WeakPolarHBondContact O-CG1 3.27Å; R116-I120 PolarHBondContact O-N 2.73Å; I120-Q122 VanDerWaalsContact C-N 3.31Å; I120-Q122 PolarHBondContact O-N 3.04Å; I120-K123 PolarHBondContact O-N 3.32Å; I120-V124 HydrophobicContact CG2-CG2 4.44Å; I120-V124 WeakPolarHBondContact O-CG2 3.41Å; I120-V124 PolarHBondContact O-N 2.71Å; I120-E159 HydrophobicContact CD1-CB 3.49Å; I120-E159 VanDerWaalsContact CD1-CB 3.49Å; I120-T160 WeakPolarHBondContact CG1-OG1 3.44Å; I120-T163 HydrophobicContact CG2-CG2 3.72Å
121	A	98.8	Very high	98.5	Very high	59 Å²	59	53.8 Å²	53.8	49%	0.488	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-41	178.6	0	0	0	0	0	112	A117 S118 W119 N125	A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 3.17Å; S118-A121 PolarHBondContact O-N 3.41Å; W119-A121 PolarHBondContact O-N 2.93Å; A121-N125 WeakPolarHBondContact O-CB 3.31Å; A121-N125 PolarHBondContact O-N 3.39Å
122	Q	98.8	Very high	98.5	Very high	122 Å²	122	50.7 Å²	50.7	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-62.7	-43.9	175.1	-70.4	171.1	40.4	0	0	111.8	S118 W119 I120 N125 L126	S118-Q122 VanDerWaalsContact O-CG 3.28Å; S118-Q122 WeakPolarHBondContact O-CG 3.32Å; S118-Q122 PolarHBondContact O-N 3.11Å; S118-Q122 PolarHBondContact OG-NE2 3.21Å; W119-Q122 WeakPolarHBondContact O-CB 3.2Å; W119-Q122 PolarHBondContact O-N 3.04Å; I120-Q122 VanDerWaalsContact C-N 3.31Å; I120-Q122 PolarHBondContact O-N 3.04Å; Q122-N125 PolarHBondContact O-N 3.35Å; Q122-L126 WeakPolarHBondContact O-CB 3.25Å; Q122-L126 PolarHBondContact O-N 2.89Å
123	K	98.8	Very high	98.5	Very high	39 Å²	39	47 Å²	47	17%	0.17	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-40.3	179.1	-69.9	-66	-176.3	171.9	0	112.7	L101 K102 W119 I120 L126 A127 I135 F164	L101-K123 WeakPolarHBondContact CD1-O 3.33Å; K102-K123 PolarHBondContact O-NZ 3.02Å; W119-K123 HydrophobicContact CD2-CG 4.03Å; W119-K123 HydrophobicContact CE3-CG 4.32Å; W119-K123 HydrophobicContact CH2-CG 4.22Å; W119-K123 HydrophobicContact CZ2-CD 4.35Å; W119-K123 HydrophobicContact CZ2-CG 3.93Å; W119-K123 HydrophobicContact CZ3-CG 4.4Å; W119-K123 WeakPolarHBondContact O-CG 3.48Å; W119-K123 PolarHBondContact O-N 2.71Å; I120-K123 PolarHBondContact O-N 3.32Å; K123-L126 PolarHBondContact O-N 3.48Å; K123-A127 WeakPolarHBondContact O-CB 3.31Å; K123-A127 PolarHBondContact O-N 3.11Å; K123-I135 HydrophobicContact CB-CD1 4.06Å; K123-I135 HydrophobicContact CD-CD1 3.99Å; K123-I135 HydrophobicContact CG-CD1 3.95Å; K123-F164 HydrophobicContact CB-CE2 4.15Å; K123-F164 HydrophobicContact CB-CZ 4.05Å
124	V	98.8	Very high	98.5	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-44.2	173.3	169.6	0	0	0	0	111.1	I120 L126 A127 K128 T163 F164 E167	I120-V124 HydrophobicContact CG2-CG2 4.44Å; I120-V124 WeakPolarHBondContact O-CG2 3.41Å; I120-V124 PolarHBondContact O-N 2.71Å; V124-L126 VanDerWaalsContact C-N 3.31Å; V124-L126 PolarHBondContact O-N 2.64Å; V124-A127 PolarHBondContact O-N 3.5Å; V124-K128 HydrophobicContact CG1-CD 4.18Å; V124-K128 WeakPolarHBondContact O-CG 3.48Å; V124-K128 PolarHBondContact O-N 3.16Å; V124-T163 HydrophobicContact CG2-CG2 4.04Å; V124-F164 HydrophobicContact CG2-CD2 3.6Å; V124-F164 HydrophobicContact CG2-CE1 4.47Å; V124-F164 HydrophobicContact CG2-CE2 3.55Å; V124-F164 HydrophobicContact CG2-CG 4.12Å; V124-F164 HydrophobicContact CG2-CZ 4.01Å; V124-E167 HydrophobicContact CG1-CB 3.69Å; V124-E167 HydrophobicContact CG1-CG 4.05Å
125	N	98.6	Very high	98.5	Very high	106 Å²	106	40.5 Å²	40.5	57%	0.567	23%	0.226	S	C	*	.	H	α-helix	trans	-62.7	-40.8	177.3	-173.5	61.8	0	0	0	111.8	A121 Q122 K128 T129	A121-N125 WeakPolarHBondContact O-CB 3.31Å; A121-N125 PolarHBondContact O-N 3.39Å; Q122-N125 PolarHBondContact O-N 3.35Å; N125-K128 PolarHBondContact O-N 3.21Å; N125-T129 WeakPolarHBondContact O-CB 3.32Å; N125-T129 PolarHBondContact O-N 3.26Å; N125-T129 PolarHBondContact O-OG1 2.9Å
126	L	98.6	Very high	98.5	Very high	62 Å²	62	38 Å²	38	33%	0.325	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-47.1	175.2	-175.8	63.3	0	0	0	111.4	L101 Q122 K123 V124 K128 T129 Q130	L101-L126 HydrophobicContact CD1-CB 4.35Å; L101-L126 HydrophobicContact CD1-CD2 4.27Å; L101-L126 HydrophobicContact CD1-CG 4.32Å; L101-L126 HydrophobicContact CD2-CD2 4Å; L101-L126 HydrophobicContact CD2-CG 4.14Å; Q122-L126 WeakPolarHBondContact O-CB 3.25Å; Q122-L126 PolarHBondContact O-N 2.89Å; K123-L126 PolarHBondContact O-N 3.48Å; V124-L126 VanDerWaalsContact C-N 3.31Å; V124-L126 PolarHBondContact O-N 2.64Å; L126-K128 PolarHBondContact O-N 3.21Å; L126-T129 PolarHBondContact O-N 3.29Å; L126-Q130 VanDerWaalsContact CD1-CD 3.46Å; L126-Q130 HydrophobicContact CD1-CG 4.04Å; L126-Q130 WeakPolarHBondContact O-CB 3.25Å; L126-Q130 PolarHBondContact O-N 3.13Å
127	A	98.5	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-46.3	178	0	0	0	0	0	111.4	L101 K123 V124 T129 Q130 Y131 M132 F164 I168	L101-A127 HydrophobicContact CD1-CB 3.71Å; L101-A127 HydrophobicContact CG-CB 4.43Å; K123-A127 WeakPolarHBondContact O-CB 3.31Å; K123-A127 PolarHBondContact O-N 3.11Å; V124-A127 PolarHBondContact O-N 3.5Å; A127-T129 PolarHBondContact O-N 3.02Å; A127-Q130 CarbonylContact O-C 3.54Å; A127-Q130 PolarHBondContact O-N 3.35Å; A127-Y131 WeakPolarHBondContact O-CA 3.4Å; A127-Y131 PolarHBondContact O-N 2.72Å; A127-M132 HydrophobicContact CB-CB 4.15Å; A127-M132 PolarHBondContact O-N 2.92Å; A127-F164 HydrophobicContact CB-CE1 3.83Å; A127-F164 HydrophobicContact CB-CZ 4.36Å; A127-I168 HydrophobicContact CB-CD1 3.63Å
128	K	98.1	Very high	98.5	Very high	88 Å²	88	35.4 Å²	35.4	38%	0.383	19%	0.189	S	C	.	.	H	α-helix	trans	-61.9	-41.3	176	-71.4	178.8	178.7	-179.6	0	112.5	V124 N125 L126 Q130 E167 I168	V124-K128 HydrophobicContact CG1-CD 4.18Å; V124-K128 WeakPolarHBondContact O-CG 3.48Å; V124-K128 PolarHBondContact O-N 3.16Å; N125-K128 PolarHBondContact O-N 3.21Å; L126-K128 PolarHBondContact O-N 3.21Å; K128-Q130 VanDerWaalsContact C-N 3.34Å; K128-E167 WeakPolarHBondContact CE-O 3.18Å; K128-E167 IonicContact NZ-OE2 2.77Å; K128-E167 PolarHBondContact NZ-OE2 3.17Å; K128-I168 HydrophobicContact CG-CD1 4.07Å; K128-I168 HydrophobicContact CG-CG1 4.07Å
129	T	97.3	Very high	98.5	Very high	63 Å²	63	32.5 Å²	32.5	39%	0.387	17%	0.168	S	C	.	.	H	α-helix	trans	-69.9	-32.5	-179.9	-55.9	0	0	0	0	112.3	T36 N125 L126 A127	T36-T129 HydrophobicContact CG2-CG2 4.31Å; N125-T129 WeakPolarHBondContact O-CB 3.32Å; N125-T129 PolarHBondContact O-N 3.26Å; N125-T129 PolarHBondContact O-OG1 2.9Å; L126-T129 PolarHBondContact O-N 3.29Å; A127-T129 PolarHBondContact O-N 3.02Å
130	Q	97.8	Very high	98.4	Very high	38 Å²	38	35.3 Å²	35.3	18%	0.178	18%	0.183	C	C	.	.	H	α-helix	trans	-99.5	4	-177.7	-70	-176.4	-24.9	0	0	113.3	Y84 L126 A127 K128 M132	Y84-Q130 VanDerWaalsContact CB-NE2 3.28Å; Y84-Q130 HydrophobicContact CD1-CG 4.01Å; Y84-Q130 HydrophobicContact CD2-CB 3.8Å; Y84-Q130 HydrophobicContact CD2-CG 3.92Å; Y84-Q130 HydrophobicContact CE1-CB 4.43Å; Y84-Q130 HydrophobicContact CE1-CG 4.13Å; Y84-Q130 HydrophobicContact CE2-CB 3.62Å; Y84-Q130 HydrophobicContact CE2-CG 4.07Å; Y84-Q130 WeakPolarHBondContact CE2-O 3.46Å; Y84-Q130 HydrophobicContact CG-CB 4.31Å; Y84-Q130 HydrophobicContact CG-CG 3.9Å; Y84-Q130 PolarHBondContact OH-O 2.94Å; L126-Q130 VanDerWaalsContact CD1-CD 3.46Å; L126-Q130 HydrophobicContact CD1-CG 4.04Å; L126-Q130 WeakPolarHBondContact O-CB 3.25Å; L126-Q130 PolarHBondContact O-N 3.13Å; A127-Q130 CarbonylContact O-C 3.54Å; A127-Q130 PolarHBondContact O-N 3.35Å; K128-Q130 VanDerWaalsContact C-N 3.34Å; Q130-M132 HydrophobicContact CB-CG 3.65Å; Q130-M132 HydrophobicContact CB-SD 4.16Å; Q130-M132 PolarHBondContact O-N 2.9Å
131	Y	97.9	Very high	98.4	Very high	42 Å²	42	38.3 Å²	38.3	17%	0.165	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	37.1	-177.5	-53.1	-79.5	0	0	0	113.7	T36 P39 C46 M89 H93 A127	T36-Y131 PolarHBondContact O-OH 2.95Å; T36-Y131 PolarHBondContact OG1-OH 2.89Å; P39-Y131 VanDerWaalsContact CD-CE2 3.44Å; P39-Y131 HydrophobicContact CG-CD2 4.34Å; P39-Y131 HydrophobicContact CG-CE2 4.36Å; C46-Y131 HydrophobicContact CB-CD1 3.43Å; C46-Y131 VanDerWaalsContact CB-CD1 3.43Å; C46-Y131 HydrophobicContact CB-CE1 3.52Å; C46-Y131 HydrophobicContact CB-CG 3.93Å; C46-Y131 VanDerWaalsContact O-CD1 3.27Å; C46-Y131 WeakPolarHBondContact O-CD1 3.2Å; M89-Y131 HydrophobicContact CE-CD2 3.9Å; M89-Y131 HydrophobicContact CE-CG 4.17Å; H93-Y131 PolarHBondContact CE1-O 2.92Å; A127-Y131 WeakPolarHBondContact O-CA 3.4Å; A127-Y131 PolarHBondContact O-N 2.72Å
132	M	98.3	Very high	98.3	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.02	19%	0.194	C	C	.	.			trans	-85.8	141.4	179.7	-49.3	-66.2	-96.1	0	0	110.2	T80 Y84 V99 L101 A127 Q130 G134	T80-M132 HydrophobicContact CG2-CE 4.24Å; T80-M132 VanDerWaalsContact OG1-CE 3.26Å; T80-M132 WeakPolarHBondContact OG1-CE 3.22Å; Y84-M132 HydrophobicContact CD2-SD 4.15Å; Y84-M132 HydrophobicContact CE2-SD 4.12Å; V99-M132 HydrophobicContact CB-SD 4.39Å; V99-M132 HydrophobicContact CG1-CE 3.68Å; V99-M132 HydrophobicContact CG1-SD 3.89Å; V99-M132 CarbonylContact O-C 3.48Å; V99-M132 WeakPolarHBondContact O-CA 3.13Å; V99-M132 WeakPolarHBondContact O-CB 3.23Å; L101-M132 HydrophobicContact CD2-CB 4.37Å; L101-M132 HydrophobicContact CD2-CE 3.87Å; L101-M132 HydrophobicContact CD2-CG 3.71Å; L101-M132 HydrophobicContact CG-CB 4.03Å; L101-M132 HydrophobicContact CG-CE 4.44Å; L101-M132 HydrophobicContact CG-CG 3.93Å; A127-M132 HydrophobicContact CB-CB 4.15Å; A127-M132 PolarHBondContact O-N 2.92Å; Q130-M132 HydrophobicContact CB-CG 3.65Å; Q130-M132 HydrophobicContact CB-SD 4.16Å; Q130-M132 PolarHBondContact O-N 2.9Å; M132-G134 PolarHBondContact O-N 3.45Å
133	D	98.6	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.			trans	-83.2	11.2	-179.2	-56.4	-70.6	0	0	0	113.5	P48 I49 H93 R98 V99 S171 Q172	P48-D133 WeakPolarHBondContact CA-OD1 3.24Å; I49-D133 PolarHBondContact N-OD1 3Å; H93-D133 IonicContact CD2-OD2 3.64Å; H93-D133 IonicContact CE1-OD1 2.71Å; H93-D133 IonicContact CE1-OD2 2.78Å; H93-D133 IonicContact NE2-OD1 2.74Å; H93-D133 IonicContact NE2-OD2 2.89Å; H93-D133 PolarHBondContact NE2-OD2 2.79Å; R98-D133 WeakPolarHBondContact CA-OD2 3.13Å; R98-D133 HydrophobicContact CB-CB 3.91Å; R98-D133 HydrophobicContact CG-CB 3.81Å; V99-D133 PolarHBondContact N-OD2 2.03Å; V99-D133 PolarHBondContact O-N 2.88Å; D133-S171 CarbonylContact O-C 3.38Å; D133-S171 WeakPolarHBondContact O-CA 3.3Å; D133-S171 VanDerWaalsContact O-CB 3.3Å; D133-S171 WeakPolarHBondContact O-CB 3.44Å; D133-Q172 PolarHBondContact O-N 3.25Å
134	G	98.6	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-151.7	-180	0	0	0	0	0	114.5	L101 M132 Q172	L101-G134 PolarHBondContact N-O 2.83Å; M132-G134 PolarHBondContact O-N 3.45Å; G134-Q172 VanDerWaalsContact CA-O 3.28Å; G134-Q172 WeakPolarHBondContact CA-O 3.37Å
135	I	98.9	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	135	-174.1	-170.8	167.9	0	0	0	111.7	L101 W119 K123 I137 T160 F164 Q172 V173 T174	L101-I135 HydrophobicContact CB-CB 4.24Å; L101-I135 HydrophobicContact CB-CG1 4.05Å; L101-I135 CarbonylContact O-C 3.56Å; L101-I135 WeakPolarHBondContact O-CA 3.48Å; W119-I135 HydrophobicContact CH2-CD1 3.9Å; W119-I135 HydrophobicContact CZ2-CD1 4.37Å; K123-I135 HydrophobicContact CB-CD1 4.06Å; K123-I135 HydrophobicContact CD-CD1 3.99Å; K123-I135 HydrophobicContact CG-CD1 3.95Å; I135-I137 HydrophobicContact CG1-CG1 4.42Å; I135-T160 HydrophobicContact CG2-CG2 3.77Å; I135-F164 HydrophobicContact CB-CE1 4.09Å; I135-F164 HydrophobicContact CB-CE2 4.38Å; I135-F164 HydrophobicContact CB-CZ 3.85Å; I135-F164 HydrophobicContact CD1-CZ 4.29Å; I135-F164 HydrophobicContact CG2-CD1 4.31Å; I135-F164 HydrophobicContact CG2-CD2 4.08Å; I135-F164 HydrophobicContact CG2-CE1 4Å; I135-F164 HydrophobicContact CG2-CE2 3.75Å; I135-F164 HydrophobicContact CG2-CG 4.35Å; I135-F164 HydrophobicContact CG2-CZ 3.7Å; I135-Q172 PolarHBondContact N-O 2.88Å; I135-V173 HydrophobicContact CG2-CB 4.43Å; I135-V173 HydrophobicContact CG2-CG1 3.97Å; I135-V173 HydrophobicContact CG2-CG2 4.01Å; I135-V173 WeakPolarHBondContact O-CA 3.47Å; I135-T174 PolarHBondContact O-N 3.45Å; I135-T174 PolarHBondContact O-OG1 2.81Å
136	N	98.9	Very high	97.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116	166.5	-176.6	81.1	0	0	0	109	F58 A79 V100 L101 G103 T174 D176	F58-N136 HydrophobicContact CZ-CB 4.18Å; F58-N136 WeakPolarHBondContact CZ-OD1 3.31Å; A79-N136 HydrophobicContact CB-CB 4.09Å; V100-N136 HydrophobicContact CG2-CB 3.97Å; L101-N136 PolarHBondContact O-N 2.91Å; G103-N136 PolarHBondContact N-O 3.21Å; N136-T174 WeakPolarHBondContact CA-OG1 3.29Å; N136-T174 WeakPolarHBondContact CB-OG1 3.33Å; N136-T174 PolarHBondContact OD1-OG1 2.86Å; N136-D176 PolarHBondContact ND2-OD1 3.02Å; N136-D176 PolarHBondContact ND2-OD2 3.08Å; N136-D176 PolarHBondContact OD1-OD1 3.41Å
137	I	98.9	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121	-177.8	-56.5	170.8	0	0	0	108.9	G103 I135 I139 V157 T160 V173 T174 F175 D176	G103-I137 CarbonylContact O-C 3.58Å; G103-I137 WeakPolarHBondContact O-CA 3.44Å; I135-I137 HydrophobicContact CG1-CG1 4.42Å; I137-I139 HydrophobicContact CG2-CD1 3.78Å; I137-I139 HydrophobicContact CG2-CG1 3.89Å; I137-V157 HydrophobicContact CD1-CG2 4.21Å; I137-T160 HydrophobicContact CD1-CG2 4.18Å; I137-V173 HydrophobicContact CD1-CG1 4.3Å; I137-T174 PolarHBondContact N-O 2.91Å; I137-F175 HydrophobicContact CB-CD2 3.59Å; I137-F175 HydrophobicContact CB-CE2 4.02Å; I137-F175 HydrophobicContact CB-CG 4.38Å; I137-F175 HydrophobicContact CD1-CD2 4.3Å; I137-F175 HydrophobicContact CG2-CD2 3.57Å; I137-F175 HydrophobicContact CG2-CE2 3.43Å; I137-F175 VanDerWaalsContact CG2-CE2 3.43Å; I137-F175 HydrophobicContact CG2-CZ 4.41Å; I137-F175 WeakPolarHBondContact O-CA 3.47Å; I137-D176 PolarHBondContact O-N 3.18Å
138	D	98.6	Very high	97.7	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.091	24%	0.235	C	C	.	.			trans	-123.7	82.8	-174.9	174.7	33.4	0	0	0	109.2	F81 K102 G103 E140 D176	F81-D138 HydrophobicContact CE1-CB 4.4Å; F81-D138 WeakPolarHBondContact CE1-OD2 3.23Å; F81-D138 HydrophobicContact CZ-CB 3.88Å; K102-D138 WeakPolarHBondContact CE-OD2 3.35Å; K102-D138 IonicContact NZ-OD2 2.7Å; K102-D138 PolarHBondContact NZ-OD2 3.36Å; G103-D138 PolarHBondContact O-N 3.03Å; D138-E140 WeakPolarHBondContact OD1-CG 3.26Å; D138-D176 WeakPolarHBondContact CB-OD2 2.95Å
139	I	98.3	Very high	97.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.225	C	C	.	.			trans	-114.6	110.8	179.3	-62.2	172.5	0	0	0	109.2	V105 L107 I137 L153 L156 F175 Y189	V105-I139 HydrophobicContact CG1-CD1 3.75Å; L107-I139 HydrophobicContact CD2-CG2 3.77Å; L107-I139 HydrophobicContact CG-CG2 3.95Å; I137-I139 HydrophobicContact CG2-CD1 3.78Å; I137-I139 HydrophobicContact CG2-CG1 3.89Å; I139-L153 HydrophobicContact CD1-CD1 3.86Å; I139-L156 HydrophobicContact CD1-CD2 3.89Å; I139-F175 HydrophobicContact CB-CZ 4.3Å; I139-Y189 PolarHBondContact O-OH 3.13Å
140	E	97	Very high	97.8	Very high	87 Å²	87	42 Å²	42	41%	0.407	22%	0.217	S	C	.	.			trans	-110.7	15.9	-173	-53.7	-152.7	106.7	0	0	115.2	D138 R187 M204 R274	D138-E140 WeakPolarHBondContact OD1-CG 3.26Å; E140-R187 IonicContact OE1-CZ 3.1Å; E140-R187 IonicContact OE1-NH1 3.71Å; E140-R187 PolarHBondContact OE1-NH1 2.9Å; E140-M204 HydrophobicContact CG-CE 4.38Å; E140-M204 WeakPolarHBondContact OE1-CE 3.43Å; E140-R274 PolarHBondContact O-NH2 2.73Å
141	Q	97.6	Very high	97.8	Very high	68 Å²	68	45.4 Å²	45.4	32%	0.318	24%	0.237	S	C	.	.			trans	-76.8	147.7	-177.1	-68.7	163.5	64.7	0	0	111.9	V105 L107 Y189	V105-Q141 PolarHBondContact O-NE2 3.32Å; L107-Q141 HydrophobicContact CD1-CB 3.37Å; L107-Q141 HydrophobicContact CD1-CG 4.47Å; L107-Q141 HydrophobicContact CG-CB 3.92Å; L107-Q141 VanDerWaalsContact N-OE1 3.1Å; Q141-Y189 PolarHBondContact N-OH 3.43Å; Q141-Y189 PolarHBondContact O-OH 3.17Å
142	E	97	Very high	97.8	Very high	92 Å²	92	43.8 Å²	43.8	43%	0.43	23%	0.232	S	C	.	.			trans	-61.8	139.3	175.6	-59.9	-173.7	-172.1	0	0	111.1	R186 R274	E142-R186 WeakPolarHBondContact CA-O 3.33Å; E142-R186 HydrophobicContact CB-CB 4.17Å; E142-R186 VanDerWaalsContact CD-CD 3.5Å; E142-R186 HydrophobicContact CG-CB 3.87Å; E142-R186 WeakPolarHBondContact OE2-CD 3.25Å; E142-R186 IonicContact OE2-NH1 3.6Å; E142-R274 VanDerWaalsContact OE1-CD 3.31Å; E142-R274 WeakPolarHBondContact OE1-CD 3.06Å; E142-R274 VanDerWaalsContact OE1-CG 3.29Å; E142-R274 WeakPolarHBondContact OE1-CG 3.31Å; E142-R274 IonicContact OE1-NE 3.59Å; E142-R274 PolarHBondContact OE1-NE 3.47Å
143	V	97.6	Very high	97.9	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.042	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-128.9	129.3	174.1	168.7	0	0	0	0	108.9	L107 E149 Y150 R186 C188 Y189	L107-V143 HydrophobicContact CD1-CG2 3.28Å; L107-V143 HydrophobicContact CD2-CG2 4.27Å; L107-V143 HydrophobicContact CG-CG2 4.41Å; V143-E149 HydrophobicContact CG2-CB 4.31Å; V143-Y150 HydrophobicContact CG1-CD2 4.41Å; V143-R186 PolarHBondContact N-O 3.14Å; V143-R186 VanDerWaalsContact O-O 3.09Å; V143-C188 WeakPolarHBondContact CG1-O 3.25Å; V143-C188 WeakPolarHBondContact O-CB 3.18Å; V143-C188 PolarHBondContact O-N 3.27Å; V143-C188 VanDerWaalsContact O-N 3.16Å; V143-Y189 HydrophobicContact CB-CD1 3.79Å; V143-Y189 HydrophobicContact CB-CE1 3.73Å; V143-Y189 HydrophobicContact CG1-CD1 4.4Å; V143-Y189 HydrophobicContact CG2-CD1 3.78Å; V143-Y189 HydrophobicContact CG2-CE1 3.38Å
144	N	95.9	Very high	97.9	Very high	103 Å²	103	44.7 Å²	44.7	55%	0.551	24%	0.237	S	C	*	.			trans	-82.1	133.3	168.1	-176.2	-45.4	0	0	0	108.7	L146 S147	N144-L146 PolarHBondContact O-N 3.41Å; N144-L146 PolarHBondContact OD1-N 2.92Å; N144-S147 PolarHBondContact O-N 3.16Å; N144-S147 PolarHBondContact O-OG 3.09Å; N144-S147 VanDerWaalsContact O-OG 3.13Å
145	C	95.5	Very high	97.9	Very high	58 Å²	58	46 Å²	46	39%	0.392	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.6	-177.7	-42.2	0	0	0	0	114.3	C188	C145-C188 HydrophobicContact CB-CB 4Å; C145-C188 WeakPolarHBondContact CB-SG 3.48Å; C145-C188 WeakPolarHBondContact SG-CB 2.97Å; C145-C188 CovalentContact SG-SG 2.02Å; C145-C188 PolarHBondContact SG-SG 2.71Å
146	L	96.3	Very high	97.9	Very high	165 Å²	165	46 Å²	46	86%	0.864	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	0.9	-178.6	-56.7	179.8	0	0	0	113.1	N144	N144-L146 PolarHBondContact O-N 3.41Å; N144-L146 PolarHBondContact OD1-N 2.92Å
147	S	97.6	Very high	97.9	Very high	26 Å²	26	46 Å²	46	18%	0.182	25%	0.248	C	C	.	.	S	Bend	trans	-87.5	153	-178.7	81.1	0	0	0	0	111.4	N144 E149 Y150	N144-S147 PolarHBondContact O-N 3.16Å; N144-S147 PolarHBondContact O-OG 3.09Å; N144-S147 VanDerWaalsContact O-OG 3.13Å; S147-E149 WeakPolarHBondContact CB-OE2 3.43Å; S147-E149 PolarHBondContact O-N 3.02Å; S147-E149 VanDerWaalsContact O-N 3.09Å; S147-E149 PolarHBondContact OG-OE2 2.83Å; S147-Y150 VanDerWaalsContact O-CB 3.25Å; S147-Y150 WeakPolarHBondContact O-CB 3.32Å; S147-Y150 PolarHBondContact O-N 3.26Å
148	P	97.9	Very high	97.9	Very high	81 Å²	81	51.1 Å²	51.1	53%	0.526	27%	0.271	S	S	.	.	H	α-helix	trans	-55.5	-27.1	178.1	-27	35.3	0	0	0	114.2	I111 Y150 D151 A152	I111-P148 HydrophobicContact CD1-CB 4.37Å; I111-P148 HydrophobicContact CG1-CB 4.39Å; I111-P148 HydrophobicContact CG2-CB 4.05Å; P148-Y150 PolarHBondContact O-N 2.84Å; P148-D151 PolarHBondContact O-N 3.01Å; P148-A152 VanDerWaalsContact O-CB 3.25Å; P148-A152 WeakPolarHBondContact O-CB 3.25Å; P148-A152 PolarHBondContact O-N 2.9Å
149	E	98.4	Very high	97.9	Very high	37 Å²	37	53.1 Å²	53.1	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-29.4	176.4	-62	85.6	166	0	0	112.7	L107 I111 V143 S147 A152 L153	L107-E149 HydrophobicContact CB-CB 4.34Å; L107-E149 HydrophobicContact CB-CG 3.95Å; L107-E149 WeakPolarHBondContact O-CG 3.28Å; I111-E149 HydrophobicContact CD1-CG 4.03Å; I111-E149 WeakPolarHBondContact CD1-OE1 3.33Å; I111-E149 HydrophobicContact CG1-CG 4.07Å; V143-E149 HydrophobicContact CG2-CB 4.31Å; S147-E149 WeakPolarHBondContact CB-OE2 3.43Å; S147-E149 PolarHBondContact O-N 3.02Å; S147-E149 VanDerWaalsContact O-N 3.09Å; S147-E149 PolarHBondContact OG-OE2 2.83Å; E149-A152 PolarHBondContact O-N 2.97Å; E149-L153 VanDerWaalsContact O-CB 3.26Å; E149-L153 WeakPolarHBondContact O-CB 3.39Å; E149-L153 PolarHBondContact O-N 3.02Å
150	Y	98	Very high	97.9	Very high	56 Å²	56	53 Å²	53	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-54.4	177.3	-178.9	-90.8	0	0	0	112.1	V143 S147 P148 T154 C188 N190	V143-Y150 HydrophobicContact CG1-CD2 4.41Å; S147-Y150 VanDerWaalsContact O-CB 3.25Å; S147-Y150 WeakPolarHBondContact O-CB 3.32Å; S147-Y150 PolarHBondContact O-N 3.26Å; P148-Y150 PolarHBondContact O-N 2.84Å; Y150-T154 PolarHBondContact O-OG1 3.22Å; Y150-C188 WeakPolarHBondContact CD2-O 3.07Å; Y150-C188 VanDerWaalsContact CE2-O 3.29Å; Y150-C188 WeakPolarHBondContact CE2-O 2.99Å; Y150-N190 HydrophobicContact CE1-CB 3.75Å; Y150-N190 HydrophobicContact CE2-CB 4.08Å; Y150-N190 VanDerWaalsContact CZ-CB 3.49Å; Y150-N190 WeakPolarHBondContact OH-CA 3.49Å; Y150-N190 WeakPolarHBondContact OH-CB 3.41Å
151	D	98.2	Very high	98	Very high	110 Å²	110	49.2 Å²	49.2	59%	0.588	26%	0.262	S	S	*	.	H	α-helix	trans	-75.7	-37.8	179.2	-70.2	-38.4	0	0	0	111.1	P148 L153 T154 A155	P148-D151 PolarHBondContact O-N 3.01Å; D151-L153 VanDerWaalsContact C-N 3.31Å; D151-L153 PolarHBondContact O-N 3.07Å; D151-T154 PolarHBondContact O-N 2.95Å; D151-A155 PolarHBondContact O-N 2.87Å
152	A	98.6	Very high	98.1	Very high	7 Å²	7	49.4 Å²	49.4	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-35.5	-179.4	0	0	0	0	0	112.8	I110 P148 E149 A155 L156	I110-A152 HydrophobicContact CD1-CB 4.28Å; I110-A152 HydrophobicContact CG1-CB 4.13Å; P148-A152 VanDerWaalsContact O-CB 3.25Å; P148-A152 WeakPolarHBondContact O-CB 3.25Å; P148-A152 PolarHBondContact O-N 2.9Å; E149-A152 PolarHBondContact O-N 2.97Å; A152-A155 PolarHBondContact O-N 3.27Å; A152-L156 WeakPolarHBondContact O-CB 3.24Å; A152-L156 PolarHBondContact O-N 2.94Å
153	L	98.8	Very high	98.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-45	175.7	-176.7	59.6	0	0	0	111.4	L107 I110 I139 E149 D151 A155 L156 V157 F175 Y189 I194	L107-L153 HydrophobicContact CD2-CB 4.46Å; L107-L153 HydrophobicContact CD2-CD1 4.06Å; L107-L153 HydrophobicContact CD2-CD2 4.37Å; I110-L153 HydrophobicContact CD1-CB 4.03Å; I110-L153 HydrophobicContact CD1-CD1 4.05Å; I139-L153 HydrophobicContact CD1-CD1 3.86Å; E149-L153 VanDerWaalsContact O-CB 3.26Å; E149-L153 WeakPolarHBondContact O-CB 3.39Å; E149-L153 PolarHBondContact O-N 3.02Å; D151-L153 VanDerWaalsContact C-N 3.31Å; D151-L153 PolarHBondContact O-N 3.07Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-A155 PolarHBondContact O-N 3.45Å; L153-L156 HydrophobicContact CD1-CD2 4.45Å; L153-L156 WeakPolarHBondContact O-CB 3.19Å; L153-L156 PolarHBondContact O-N 3.47Å; L153-V157 WeakPolarHBondContact O-CG2 3.3Å; L153-V157 PolarHBondContact O-N 3.49Å; L153-V157 VanDerWaalsContact O-N 3.09Å; L153-F175 HydrophobicContact CD1-CE2 3.9Å; L153-F175 HydrophobicContact CD1-CZ 3.97Å; L153-F175 HydrophobicContact CD2-CZ 4.17Å; L153-F175 HydrophobicContact CG-CE2 4.49Å; L153-F175 HydrophobicContact CG-CZ 4.34Å; L153-Y189 HydrophobicContact CD2-CD1 3.68Å; L153-Y189 HydrophobicContact CD2-CD2 3.71Å; L153-Y189 HydrophobicContact CD2-CE1 3.81Å; L153-Y189 HydrophobicContact CD2-CE2 3.8Å; L153-Y189 HydrophobicContact CD2-CG 3.65Å; L153-I194 HydrophobicContact CD2-CD1 4Å; L153-I194 HydrophobicContact CG-CD1 4.09Å
154	T	98.6	Very high	98.2	Very high	22 Å²	22	46 Å²	46	14%	0.135	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-42.1	176.3	-49.7	0	0	0	0	111.1	Y150 D151 V157 K158 N190	Y150-T154 PolarHBondContact O-OG1 3.22Å; D151-T154 PolarHBondContact O-N 2.95Å; T154-V157 PolarHBondContact O-N 2.87Å; T154-K158 WeakPolarHBondContact O-CB 3.43Å; T154-K158 PolarHBondContact O-N 3.01Å; T154-N190 WeakPolarHBondContact OG1-CB 3.34Å
155	A	98.9	Very high	98.3	Very high	28 Å²	28	44.7 Å²	44.7	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-43.9	176.1	0	0	0	0	0	112	D151 A152 L153 V157 K158 E159	D151-A155 PolarHBondContact O-N 2.87Å; A152-A155 PolarHBondContact O-N 3.27Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-A155 PolarHBondContact O-N 3.45Å; A155-V157 PolarHBondContact O-N 2.93Å; A155-K158 PolarHBondContact O-N 3.38Å; A155-E159 VanDerWaalsContact O-CB 3.3Å; A155-E159 WeakPolarHBondContact O-CB 3.35Å; A155-E159 WeakPolarHBondContact O-CG 3.01Å; A155-E159 PolarHBondContact O-N 2.91Å
156	L	98.9	Very high	98.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.8	-50	175.2	179.9	77.6	0	0	0	111.4	V105 I110 R116 W119 I139 A152 L153 K158 E159 T160	V105-L156 HydrophobicContact CG1-CD2 3.73Å; I110-L156 HydrophobicContact CD1-CB 4.43Å; I110-L156 HydrophobicContact CD1-CD2 4.28Å; I110-L156 HydrophobicContact CG2-CD1 4.04Å; I110-L156 HydrophobicContact CG2-CD2 3.94Å; I110-L156 HydrophobicContact CG2-CG 4.46Å; R116-L156 HydrophobicContact CB-CD1 4.07Å; R116-L156 HydrophobicContact CG-CD1 3.9Å; W119-L156 HydrophobicContact CE3-CD1 3.85Å; W119-L156 HydrophobicContact CZ3-CD1 3.96Å; W119-L156 HydrophobicContact CZ3-CG 4.39Å; I139-L156 HydrophobicContact CD1-CD2 3.89Å; A152-L156 WeakPolarHBondContact O-CB 3.24Å; A152-L156 PolarHBondContact O-N 2.94Å; L153-L156 HydrophobicContact CD1-CD2 4.45Å; L153-L156 WeakPolarHBondContact O-CB 3.19Å; L153-L156 PolarHBondContact O-N 3.47Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.17Å; L156-E159 PolarHBondContact O-N 3.33Å; L156-T160 VanDerWaalsContact O-CB 3.23Å; L156-T160 WeakPolarHBondContact O-CB 3.03Å; L156-T160 PolarHBondContact O-N 3.34Å; L156-T160 PolarHBondContact O-OG1 3.18Å
157	V	98.9	Very high	98.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-43.4	-178.1	177.4	0	0	0	0	110.7	I137 L153 T154 A155 T161 F175 I194 A197 C198	I137-V157 HydrophobicContact CD1-CG2 4.21Å; L153-V157 WeakPolarHBondContact O-CG2 3.3Å; L153-V157 PolarHBondContact O-N 3.49Å; L153-V157 VanDerWaalsContact O-N 3.09Å; T154-V157 PolarHBondContact O-N 2.87Å; A155-V157 PolarHBondContact O-N 2.93Å; V157-T161 WeakPolarHBondContact O-CB 3.45Å; V157-T161 PolarHBondContact O-N 2.8Å; V157-T161 PolarHBondContact O-OG1 3.42Å; V157-F175 HydrophobicContact CG2-CD2 3.41Å; V157-F175 VanDerWaalsContact CG2-CD2 3.41Å; V157-F175 HydrophobicContact CG2-CE2 3.61Å; V157-F175 HydrophobicContact CG2-CG 4.44Å; V157-I194 HydrophobicContact CG1-CG2 4.25Å; V157-I194 HydrophobicContact CG2-CG2 4.25Å; V157-A197 HydrophobicContact CB-CB 4.36Å; V157-A197 HydrophobicContact CG1-CB 3.9Å; V157-C198 HydrophobicContact CG1-CB 3.73Å
158	K	98.9	Very high	98.6	Very high	107 Å²	107	45.1 Å²	45.1	47%	0.465	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-50.9	177.8	-169.5	-172.2	-175.4	-53	0	112.2	T154 A155 L156 T160 T161 D162 A197	T154-K158 WeakPolarHBondContact O-CB 3.43Å; T154-K158 PolarHBondContact O-N 3.01Å; A155-K158 PolarHBondContact O-N 3.38Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.17Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 3.27Å; K158-T161 PolarHBondContact O-N 3.28Å; K158-D162 IonicContact NZ-OD1 3.06Å; K158-D162 IonicContact NZ-OD2 2.65Å; K158-D162 PolarHBondContact NZ-OD2 3.02Å; K158-D162 WeakPolarHBondContact O-CB 3.49Å; K158-D162 VanDerWaalsContact O-CG 3.32Å; K158-D162 PolarHBondContact O-N 3.36Å; K158-A197 HydrophobicContact CB-CB 3.9Å; K158-A197 HydrophobicContact CG-CB 4.41Å
159	E	98.9	Very high	98.5	Very high	59 Å²	59	46.8 Å²	46.8	28%	0.276	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-37.1	-179.5	-70.4	165	-169.4	0	0	111.5	R116 I120 A155 L156 T163	R116-E159 IonicContact CZ-OE1 3.52Å; R116-E159 IonicContact CZ-OE2 3.65Å; R116-E159 IonicContact NE-OE1 3.39Å; R116-E159 PolarHBondContact NE-OE1 3.19Å; R116-E159 IonicContact NE-OE2 2.82Å; R116-E159 PolarHBondContact NE-OE2 3.48Å; R116-E159 IonicContact NH2-OE1 2.63Å; R116-E159 PolarHBondContact NH2-OE1 2.98Å; R116-E159 IonicContact NH2-OE2 3.99Å; I120-E159 HydrophobicContact CD1-CB 3.49Å; I120-E159 VanDerWaalsContact CD1-CB 3.49Å; A155-E159 VanDerWaalsContact O-CB 3.3Å; A155-E159 WeakPolarHBondContact O-CB 3.35Å; A155-E159 WeakPolarHBondContact O-CG 3.01Å; A155-E159 PolarHBondContact O-N 2.91Å; L156-E159 PolarHBondContact O-N 3.33Å; E159-T163 WeakPolarHBondContact O-CB 3.29Å; E159-T163 PolarHBondContact O-N 2.67Å; E159-T163 VanDerWaalsContact O-N 3.1Å; E159-T163 PolarHBondContact O-OG1 2.82Å
160	T	98.9	Very high	98.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-52	174	-57.4	0	0	0	0	110.1	W119 I120 I135 I137 L156 K158 T163 F164 V173	W119-T160 HydrophobicContact CZ3-CG2 4.48Å; I120-T160 WeakPolarHBondContact CG1-OG1 3.44Å; I135-T160 HydrophobicContact CG2-CG2 3.77Å; I137-T160 HydrophobicContact CD1-CG2 4.18Å; L156-T160 VanDerWaalsContact O-CB 3.23Å; L156-T160 WeakPolarHBondContact O-CB 3.03Å; L156-T160 PolarHBondContact O-N 3.34Å; L156-T160 PolarHBondContact O-OG1 3.18Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 3.27Å; T160-T163 PolarHBondContact O-N 2.56Å; T160-F164 HydrophobicContact CG2-CD2 3.61Å; T160-F164 HydrophobicContact CG2-CE2 3.76Å; T160-F164 WeakPolarHBondContact O-CB 3.23Å; T160-F164 WeakPolarHBondContact O-CD2 3.31Å; T160-F164 PolarHBondContact O-N 3.11Å; T160-V173 HydrophobicContact CG2-CG1 4.14Å
161	T	98.9	Very high	98.4	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-49.9	-178.4	-54.4	0	0	0	0	111.9	V157 K158 T163 F164 H165 V173 A197	V157-T161 WeakPolarHBondContact O-CB 3.45Å; V157-T161 PolarHBondContact O-N 2.8Å; V157-T161 PolarHBondContact O-OG1 3.42Å; K158-T161 PolarHBondContact O-N 3.28Å; T161-T163 VanDerWaalsContact C-N 3.26Å; T161-T163 PolarHBondContact O-N 2.94Å; T161-F164 PolarHBondContact O-N 2.8Å; T161-H165 WeakPolarHBondContact CG2-CE1 3.38Å; T161-H165 WeakPolarHBondContact O-CB 3.49Å; T161-H165 PolarHBondContact O-N 3.31Å; T161-V173 HydrophobicContact CG2-CB 4.19Å; T161-V173 HydrophobicContact CG2-CG2 4.47Å; T161-V173 VanDerWaalsContact OG1-CG1 3.26Å; T161-V173 WeakPolarHBondContact OG1-CG1 3.39Å; T161-A197 WeakPolarHBondContact CB-O 3.43Å; T161-A197 WeakPolarHBondContact CG2-O 3.4Å; T161-A197 PolarHBondContact OG1-O 3.22Å; T161-A197 VanDerWaalsContact OG1-O 3.07Å
162	D	98.9	Very high	98.4	Very high	72 Å²	72	38.2 Å²	38.2	39%	0.385	19%	0.188	S	C	.	.	H	α-helix	trans	-58.1	-40	177.9	-71.1	-18.1	0	0	0	111.9	K158 R166	K158-D162 IonicContact NZ-OD1 3.06Å; K158-D162 IonicContact NZ-OD2 2.65Å; K158-D162 PolarHBondContact NZ-OD2 3.02Å; K158-D162 WeakPolarHBondContact O-CB 3.49Å; K158-D162 VanDerWaalsContact O-CG 3.32Å; K158-D162 PolarHBondContact O-N 3.36Å; D162-R166 VanDerWaalsContact O-CB 3.3Å; D162-R166 WeakPolarHBondContact O-CB 3.26Å; D162-R166 PolarHBondContact O-N 2.85Å
163	T	98.9	Very high	98.4	Very high	28 Å²	28	37.9 Å²	37.9	17%	0.172	19%	0.185	C	C	.	.	H	α-helix	trans	-77.1	-42.6	-177.2	-56.9	0	0	0	0	111.7	I120 V124 E159 T160 T161 R166 E167	I120-T163 HydrophobicContact CG2-CG2 3.72Å; V124-T163 HydrophobicContact CG2-CG2 4.04Å; E159-T163 WeakPolarHBondContact O-CB 3.29Å; E159-T163 PolarHBondContact O-N 2.67Å; E159-T163 VanDerWaalsContact O-N 3.1Å; E159-T163 PolarHBondContact O-OG1 2.82Å; T160-T163 PolarHBondContact O-N 2.56Å; T161-T163 VanDerWaalsContact C-N 3.26Å; T161-T163 PolarHBondContact O-N 2.94Å; T163-R166 PolarHBondContact O-N 3.08Å; T163-R166 PolarHBondContact OG1-NH2 3.5Å; T163-E167 HydrophobicContact CG2-CG 4.1Å; T163-E167 VanDerWaalsContact O-CB 3.24Å; T163-E167 WeakPolarHBondContact O-CB 3.49Å; T163-E167 WeakPolarHBondContact O-CG 3.3Å; T163-E167 PolarHBondContact O-N 2.91Å
164	F	98.8	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-49.1	174.5	-93	-100.3	0	0	0	111.4	K123 V124 A127 I135 T160 T161 R166 E167 I168 S171 V173	K123-F164 HydrophobicContact CB-CE2 4.15Å; K123-F164 HydrophobicContact CB-CZ 4.05Å; V124-F164 HydrophobicContact CG2-CD2 3.6Å; V124-F164 HydrophobicContact CG2-CE1 4.47Å; V124-F164 HydrophobicContact CG2-CE2 3.55Å; V124-F164 HydrophobicContact CG2-CG 4.12Å; V124-F164 HydrophobicContact CG2-CZ 4.01Å; A127-F164 HydrophobicContact CB-CE1 3.83Å; A127-F164 HydrophobicContact CB-CZ 4.36Å; I135-F164 HydrophobicContact CB-CE1 4.09Å; I135-F164 HydrophobicContact CB-CE2 4.38Å; I135-F164 HydrophobicContact CB-CZ 3.85Å; I135-F164 HydrophobicContact CD1-CZ 4.29Å; I135-F164 HydrophobicContact CG2-CD1 4.31Å; I135-F164 HydrophobicContact CG2-CD2 4.08Å; I135-F164 HydrophobicContact CG2-CE1 4Å; I135-F164 HydrophobicContact CG2-CE2 3.75Å; I135-F164 HydrophobicContact CG2-CG 4.35Å; I135-F164 HydrophobicContact CG2-CZ 3.7Å; T160-F164 HydrophobicContact CG2-CD2 3.61Å; T160-F164 HydrophobicContact CG2-CE2 3.76Å; T160-F164 WeakPolarHBondContact O-CB 3.23Å; T160-F164 WeakPolarHBondContact O-CD2 3.31Å; T160-F164 PolarHBondContact O-N 3.11Å; T161-F164 PolarHBondContact O-N 2.8Å; F164-R166 VanDerWaalsContact C-N 3.27Å; F164-R166 PolarHBondContact O-N 2.89Å; F164-E167 PolarHBondContact O-N 3.4Å; F164-E167 VanDerWaalsContact O-N 3.15Å; F164-I168 HydrophobicContact CD1-CD1 4.09Å; F164-I168 HydrophobicContact CE1-CD1 4.23Å; F164-I168 WeakPolarHBondContact O-CA 3.44Å; F164-I168 PolarHBondContact O-N 2.66Å; F164-S171 PolarHBondContact O-OG 3.24Å; F164-V173 HydrophobicContact CB-CG2 3.6Å; F164-V173 HydrophobicContact CD1-CG2 4.49Å; F164-V173 HydrophobicContact CD2-CG2 4.48Å; F164-V173 HydrophobicContact CG-CG2 3.96Å
165	H	98.6	Very high	98.4	Very high	76 Å²	76	36.8 Å²	36.8	35%	0.352	18%	0.178	S	C	.	.	H	α-helix	trans	-61.3	-34.3	178.6	-70.6	165.2	0	0	0	113.2	T161 S171 D199	T161-H165 WeakPolarHBondContact CG2-CE1 3.38Å; T161-H165 WeakPolarHBondContact O-CB 3.49Å; T161-H165 PolarHBondContact O-N 3.31Å; H165-S171 PolarHBondContact CD2-O 2.98Å; H165-S171 PolarHBondContact CD2-OG 2.63Å; H165-S171 PolarHBondContact N-OG 2.82Å; H165-S171 PolarHBondContact NE2-O 3.24Å; H165-D199 IonicContact CE1-OD1 2.76Å; H165-D199 IonicContact CE1-OD2 2.88Å; H165-D199 IonicContact NE2-OD1 3.98Å; H165-D199 IonicContact NE2-OD2 2.74Å; H165-D199 PolarHBondContact NE2-OD2 3.05Å
166	R	98.6	Very high	98.4	Very high	163 Å²	163	35.6 Å²	35.6	62%	0.615	17%	0.168	S	C	*	.	H	α-helix	trans	-70.7	-40.6	175.2	-179.2	176.4	63.8	-121	-5.8	112.5	D162 T163 F164	D162-R166 VanDerWaalsContact O-CB 3.3Å; D162-R166 WeakPolarHBondContact O-CB 3.26Å; D162-R166 PolarHBondContact O-N 2.85Å; T163-R166 PolarHBondContact O-N 3.08Å; T163-R166 PolarHBondContact OG1-NH2 3.5Å; F164-R166 VanDerWaalsContact C-N 3.27Å; F164-R166 PolarHBondContact O-N 2.89Å
167	E	98.5	Very high	98.4	Very high	84 Å²	84	35.6 Å²	35.6	39%	0.393	17%	0.168	S	C	.	.	H	α-helix	trans	-93.8	-22.9	-168.5	-67.1	-63.8	146.6	0	0	113.9	V124 K128 T163 F164	V124-E167 HydrophobicContact CG1-CB 3.69Å; V124-E167 HydrophobicContact CG1-CG 4.05Å; K128-E167 WeakPolarHBondContact CE-O 3.18Å; K128-E167 IonicContact NZ-OE2 2.77Å; K128-E167 PolarHBondContact NZ-OE2 3.17Å; T163-E167 HydrophobicContact CG2-CG 4.1Å; T163-E167 VanDerWaalsContact O-CB 3.24Å; T163-E167 WeakPolarHBondContact O-CB 3.49Å; T163-E167 WeakPolarHBondContact O-CG 3.3Å; T163-E167 PolarHBondContact O-N 2.91Å; F164-E167 PolarHBondContact O-N 3.4Å; F164-E167 VanDerWaalsContact O-N 3.15Å
168	I	98	Very high	98.4	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.051	17%	0.168	C	C	.	.	S	Bend	trans	-136.8	95.3	-177.6	-54.1	176.1	0	0	0	106.9	P48 A127 K128 F164 G170 S171	P48-I168 HydrophobicContact CB-CG2 4.08Å; P48-I168 HydrophobicContact CG-CG2 3.75Å; A127-I168 HydrophobicContact CB-CD1 3.63Å; K128-I168 HydrophobicContact CG-CD1 4.07Å; K128-I168 HydrophobicContact CG-CG1 4.07Å; F164-I168 HydrophobicContact CD1-CD1 4.09Å; F164-I168 HydrophobicContact CE1-CD1 4.23Å; F164-I168 WeakPolarHBondContact O-CA 3.44Å; F164-I168 PolarHBondContact O-N 2.66Å; I168-G170 PolarHBondContact O-N 3.42Å; I168-S171 VanDerWaalsContact O-CB 3.22Å; I168-S171 WeakPolarHBondContact O-CB 3.37Å; I168-S171 PolarHBondContact O-N 2.64Å; I168-S171 PolarHBondContact O-OG 3.05Å
169	E	95.4	Very high	98.3	Very high	117 Å²	117	31.5 Å²	31.5	55%	0.547	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	126.3	179.7	-172.5	-172.2	170.2	0	0	110.8	P48 R50 S171	P48-E169 WeakPolarHBondContact CB-O 3.26Å; R50-E169 VanDerWaalsContact CZ-CD 3.4Å; R50-E169 IonicContact CZ-OE1 3.83Å; R50-E169 IonicContact CZ-OE2 3.38Å; R50-E169 IonicContact NE-OE2 3.66Å; R50-E169 IonicContact NH1-OE1 2.93Å; R50-E169 PolarHBondContact NH1-OE1 3Å; R50-E169 IonicContact NH1-OE2 3.69Å; R50-E169 PolarHBondContact NH1-OE2 2.97Å; R50-E169 IonicContact NH2-OE2 3.9Å; R50-E169 PolarHBondContact NH2-OE2 3.41Å; E169-S171 VanDerWaalsContact C-N 3.34Å
170	G	94.7	Very high	98.2	Very high	19 Å²	19	28.9 Å²	28.9	20%	0.196	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	6	-178	0	0	0	0	0	114.9	I168	I168-G170 PolarHBondContact O-N 3.42Å
171	S	98.4	Very high	98.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	14%	0.142	C	C	.	.			trans	-60.2	155.8	177.8	51.1	0	0	0	0	113.3	D133 F164 H165 I168 E169	D133-S171 CarbonylContact O-C 3.38Å; D133-S171 WeakPolarHBondContact O-CA 3.3Å; D133-S171 VanDerWaalsContact O-CB 3.3Å; D133-S171 WeakPolarHBondContact O-CB 3.44Å; F164-S171 PolarHBondContact O-OG 3.24Å; H165-S171 PolarHBondContact CD2-O 2.98Å; H165-S171 PolarHBondContact CD2-OG 2.63Å; H165-S171 PolarHBondContact N-OG 2.82Å; H165-S171 PolarHBondContact NE2-O 3.24Å; I168-S171 VanDerWaalsContact O-CB 3.22Å; I168-S171 WeakPolarHBondContact O-CB 3.37Å; I168-S171 PolarHBondContact O-N 2.64Å; I168-S171 PolarHBondContact O-OG 3.05Å; E169-S171 VanDerWaalsContact C-N 3.34Å
172	Q	98.7	Very high	98	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.9	178.6	-179.1	173.2	94.3	0	0	110.1	T77 V100 D133 G134 I135 T174 D199 F200	T77-Q172 VanDerWaalsContact CG2-OE1 3.29Å; T77-Q172 PolarHBondContact OG1-OE1 2.81Å; V100-Q172 HydrophobicContact CG1-CB 4.42Å; D133-Q172 PolarHBondContact O-N 3.25Å; G134-Q172 VanDerWaalsContact CA-O 3.28Å; G134-Q172 WeakPolarHBondContact CA-O 3.37Å; I135-Q172 PolarHBondContact N-O 2.88Å; Q172-T174 HydrophobicContact CG-CG2 3.83Å; Q172-D199 VanDerWaalsContact CA-OD2 3.27Å; Q172-D199 WeakPolarHBondContact CA-OD2 3.48Å; Q172-D199 HydrophobicContact CG-CB 4.47Å; Q172-F200 HydrophobicContact CG-CE1 4.2Å
173	V	98.9	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.9	175.8	-176.6	0	0	0	0	109.9	I135 I137 T160 T161 F164 C198 D199	I135-V173 HydrophobicContact CG2-CB 4.43Å; I135-V173 HydrophobicContact CG2-CG1 3.97Å; I135-V173 HydrophobicContact CG2-CG2 4.01Å; I135-V173 WeakPolarHBondContact O-CA 3.47Å; I137-V173 HydrophobicContact CD1-CG1 4.3Å; T160-V173 HydrophobicContact CG2-CG1 4.14Å; T161-V173 HydrophobicContact CG2-CB 4.19Å; T161-V173 HydrophobicContact CG2-CG2 4.47Å; T161-V173 VanDerWaalsContact OG1-CG1 3.26Å; T161-V173 WeakPolarHBondContact OG1-CG1 3.39Å; F164-V173 HydrophobicContact CB-CG2 3.6Å; F164-V173 HydrophobicContact CD1-CG2 4.49Å; F164-V173 HydrophobicContact CD2-CG2 4.48Å; F164-V173 HydrophobicContact CG-CG2 3.96Å; V173-C198 WeakPolarHBondContact O-CB 3.15Å; V173-D199 PolarHBondContact N-OD2 3.27Å; V173-D199 WeakPolarHBondContact O-CB 3.46Å; V173-D199 PolarHBondContact O-N 2.94Å
174	T	98.9	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	160.6	-172.3	46.2	0	0	0	0	110.3	F58 I135 N136 I137 Q172 F200	F58-T174 HydrophobicContact CE2-CG2 4.19Å; I135-T174 PolarHBondContact O-N 3.45Å; I135-T174 PolarHBondContact O-OG1 2.81Å; N136-T174 WeakPolarHBondContact CA-OG1 3.29Å; N136-T174 WeakPolarHBondContact CB-OG1 3.33Å; N136-T174 PolarHBondContact OD1-OG1 2.86Å; I137-T174 PolarHBondContact N-O 2.91Å; Q172-T174 HydrophobicContact CG-CG2 3.83Å; T174-F200 WeakPolarHBondContact CA-O 3.08Å; T174-F200 HydrophobicContact CG2-CD1 4.02Å; T174-F200 HydrophobicContact CG2-CD2 3.64Å; T174-F200 HydrophobicContact CG2-CE1 3.69Å; T174-F200 HydrophobicContact CG2-CE2 3.26Å; T174-F200 HydrophobicContact CG2-CG 4.01Å; T174-F200 HydrophobicContact CG2-CZ 3.29Å
175	F	98.9	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	129.8	-178	-164.5	-77.5	0	0	0	110.9	I137 I139 L153 V157 V177 Y189 I194 F200 L201 F202	I137-F175 HydrophobicContact CB-CD2 3.59Å; I137-F175 HydrophobicContact CB-CE2 4.02Å; I137-F175 HydrophobicContact CB-CG 4.38Å; I137-F175 HydrophobicContact CD1-CD2 4.3Å; I137-F175 HydrophobicContact CG2-CD2 3.57Å; I137-F175 HydrophobicContact CG2-CE2 3.43Å; I137-F175 VanDerWaalsContact CG2-CE2 3.43Å; I137-F175 HydrophobicContact CG2-CZ 4.41Å; I137-F175 WeakPolarHBondContact O-CA 3.47Å; I139-F175 HydrophobicContact CB-CZ 4.3Å; L153-F175 HydrophobicContact CD1-CE2 3.9Å; L153-F175 HydrophobicContact CD1-CZ 3.97Å; L153-F175 HydrophobicContact CD2-CZ 4.17Å; L153-F175 HydrophobicContact CG-CE2 4.49Å; L153-F175 HydrophobicContact CG-CZ 4.34Å; V157-F175 HydrophobicContact CG2-CD2 3.41Å; V157-F175 VanDerWaalsContact CG2-CD2 3.41Å; V157-F175 HydrophobicContact CG2-CE2 3.61Å; V157-F175 HydrophobicContact CG2-CG 4.44Å; F175-V177 HydrophobicContact CD1-CG1 3.68Å; F175-V177 HydrophobicContact CE1-CG1 4.18Å; F175-Y189 HydrophobicContact CE1-CD2 4.17Å; F175-Y189 HydrophobicContact CE1-CE2 4.02Å; F175-Y189 HydrophobicContact CZ-CD2 4.46Å; F175-Y189 HydrophobicContact CZ-CE2 4.16Å; F175-I194 HydrophobicContact CB-CG2 4.05Å; F175-I194 HydrophobicContact CD1-CG2 4.07Å; F175-I194 HydrophobicContact CD2-CG2 4.21Å; F175-I194 HydrophobicContact CG-CG2 3.84Å; F175-F200 PolarHBondContact N-O 3.28Å; F175-L201 HydrophobicContact CB-CD2 4.23Å; F175-L201 WeakPolarHBondContact O-CA 3.34Å; F175-F202 PolarHBondContact O-N 2.91Å
176	D	98.9	Very high	97	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.7	176.1	-64.3	-22.4	0	0	0	110.1	F60 N136 I137 D138 F202 M204	F60-D176 WeakPolarHBondContact CZ-OD1 3.11Å; N136-D176 PolarHBondContact ND2-OD1 3.02Å; N136-D176 PolarHBondContact ND2-OD2 3.08Å; N136-D176 PolarHBondContact OD1-OD1 3.41Å; I137-D176 PolarHBondContact O-N 3.18Å; D138-D176 WeakPolarHBondContact CB-OD2 2.95Å; D176-F202 WeakPolarHBondContact CA-O 3.4Å; D176-F202 WeakPolarHBondContact OD1-CB 3.35Å; D176-M204 HydrophobicContact CB-CE 3.87Å; D176-M204 HydrophobicContact CB-CG 4.19Å; D176-M204 HydrophobicContact CB-SD 3.88Å
177	V	98.6	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.1	179.7	-61.3	0	0	0	0	111.5	F175 Y191 L201 F202 V203 M204 Y234	F175-V177 HydrophobicContact CD1-CG1 3.68Å; F175-V177 HydrophobicContact CE1-CG1 4.18Å; V177-Y191 HydrophobicContact CB-CD1 4.27Å; V177-Y191 HydrophobicContact CB-CE1 4.05Å; V177-Y191 HydrophobicContact CG1-CD1 4.05Å; V177-Y191 HydrophobicContact CG1-CE1 4.19Å; V177-L201 HydrophobicContact CG1-CB 4.36Å; V177-L201 HydrophobicContact CG1-CD1 4.13Å; V177-L201 HydrophobicContact CG1-CD2 3.92Å; V177-L201 HydrophobicContact CG1-CG 4.37Å; V177-L201 HydrophobicContact CG2-CB 4.04Å; V177-L201 HydrophobicContact CG2-CD1 4.26Å; V177-F202 PolarHBondContact N-O 3.45Å; V177-V203 HydrophobicContact CG2-CB 4.15Å; V177-V203 HydrophobicContact CG2-CG1 4.46Å; V177-V203 HydrophobicContact CG2-CG2 3.68Å; V177-M204 WeakPolarHBondContact O-CB 3.4Å; V177-M204 PolarHBondContact O-N 2.85Å; V177-Y234 WeakPolarHBondContact CB-OH 3.36Å; V177-Y234 HydrophobicContact CG2-CE1 4.26Å; V177-Y234 HydrophobicContact CG2-CE2 4.34Å; V177-Y234 WeakPolarHBondContact CG2-OH 3.42Å
178	A	97.9	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	154.1	175.1	0	0	0	0	0	112.4	S180 D185 Y234	A178-S180 PolarHBondContact O-N 2.97Å; A178-S180 VanDerWaalsContact O-N 3.11Å; A178-D185 VanDerWaalsContact CB-OD2 3.31Å; A178-D185 WeakPolarHBondContact CB-OD2 3.37Å; A178-Y234 WeakPolarHBondContact O-CE2 3.48Å; A178-Y234 PolarHBondContact O-OH 2.88Å
179	W	97.9	Very high	96.8	Very high	21 Å²	21	27.7 Å²	27.7	8%	0.08	13%	0.132	C	C	.	.	S	Bend	trans	-58.9	-24.2	173.8	68.5	-96.2	0	0	0	113.5	I184 M204 E208 Q226 G230	W179-I184 HydrophobicContact CH2-CD1 4.29Å; W179-I184 HydrophobicContact CZ2-CD1 4Å; W179-I184 HydrophobicContact CZ2-CG2 3.84Å; W179-M204 WeakPolarHBondContact CB-O 3.34Å; W179-E208 HydrophobicContact CB-CG 4.05Å; W179-E208 HydrophobicContact CD2-CB 4.25Å; W179-E208 HydrophobicContact CD2-CG 3.93Å; W179-E208 HydrophobicContact CE3-CG 4.28Å; W179-E208 HydrophobicContact CG-CB 4.45Å; W179-E208 HydrophobicContact CG-CG 3.81Å; W179-Q226 HydrophobicContact CE3-CG 4.19Å; W179-Q226 HydrophobicContact CH2-CG 3.87Å; W179-Q226 VanDerWaalsContact CZ2-NE2 3.32Å; W179-Q226 HydrophobicContact CZ3-CG 3.51Å; W179-G230 WeakPolarHBondContact O-CA 3.34Å
180	S	97.6	Very high	96.9	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.028	12%	0.115	C	C	.	.			trans	-130.8	131.7	-179.9	176.1	0	0	0	0	112.3	A178 K182	A178-S180 PolarHBondContact O-N 2.97Å; A178-S180 VanDerWaalsContact O-N 3.11Å; S180-K182 PolarHBondContact O-N 3.31Å; S180-K182 WeakPolarHBondContact OG-CB 3.42Å; S180-K182 PolarHBondContact OG-N 2.89Å
181	P	97.1	Very high	97.1	Very high	15 Å²	15	23 Å²	23	10%	0.097	11%	0.107	C	C	.	.	S	Bend	trans	-80	0.7	174.5	31.7	-32.9	0	0	0	113.8	N183 Y191 D233 Y234 M237	P181-N183 PolarHBondContact O-N 2.78Å; P181-N183 VanDerWaalsContact O-N 3.1Å; P181-Y191 HydrophobicContact CB-CD2 3.83Å; P181-Y191 HydrophobicContact CB-CE2 3.91Å; P181-Y191 HydrophobicContact CB-CG 4.39Å; P181-D233 HydrophobicContact CG-CB 3.75Å; P181-Y234 HydrophobicContact CB-CD1 3.79Å; P181-Y234 HydrophobicContact CB-CE1 3.56Å; P181-Y234 HydrophobicContact CB-CE2 4.46Å; P181-Y234 HydrophobicContact CB-CG 4.37Å; P181-Y234 HydrophobicContact CG-CD1 3.92Å; P181-Y234 HydrophobicContact CG-CD2 4.2Å; P181-Y234 HydrophobicContact CG-CE1 4.07Å; P181-Y234 HydrophobicContact CG-CE2 4.3Å; P181-Y234 HydrophobicContact CG-CG 4Å; P181-M237 HydrophobicContact CB-SD 3.45Å; P181-M237 WeakPolarHBondContact CB-SD 3.37Å; P181-M237 HydrophobicContact CG-SD 3.85Å
182	K	95.8	Very high	97.1	Very high	133 Å²	133	25.1 Å²	25.1	58%	0.578	12%	0.119	S	C	*	.	S	Bend	trans	-79.3	15.3	-174.4	-70.4	176.4	165.1	154.3	0	114	S180 I184 D233	S180-K182 PolarHBondContact O-N 3.31Å; S180-K182 WeakPolarHBondContact OG-CB 3.42Å; S180-K182 PolarHBondContact OG-N 2.89Å; K182-I184 PolarHBondContact O-N 2.87Å; K182-D233 VanDerWaalsContact CE-CG 3.5Å; K182-D233 WeakPolarHBondContact CE-OD2 3.38Å; K182-D233 VanDerWaalsContact NZ-CG 3.31Å; K182-D233 IonicContact NZ-OD1 2.92Å; K182-D233 PolarHBondContact NZ-OD1 2.55Å; K182-D233 IonicContact NZ-OD2 2.69Å; K182-D233 PolarHBondContact NZ-OD2 2.89Å
183	N	94	Very high	97.1	Very high	61 Å²	61	25.8 Å²	25.8	33%	0.326	13%	0.127	S	C	.	.			trans	57.7	29.6	-179.7	-169.4	36.6	0	0	0	113.2	P181 D185 R186 R187 C188	P181-N183 PolarHBondContact O-N 2.78Å; P181-N183 VanDerWaalsContact O-N 3.1Å; N183-D185 PolarHBondContact O-N 3.2Å; N183-R186 PolarHBondContact O-N 3.11Å; N183-R186 WeakPolarHBondContact OD1-CA 3.3Å; N183-R187 VanDerWaalsContact OD1-C 3.29Å; N183-R187 PolarHBondContact OD1-N 2Å; N183-C188 WeakPolarHBondContact OD1-CA 3.41Å; N183-C188 WeakPolarHBondContact OD1-CB 3.37Å; N183-C188 PolarHBondContact OD1-N 2.92Å
184	I	92.6	Very high	97.1	Very high	44 Å²	44	25.8 Å²	25.8	23%	0.226	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.6	-178.2	-172.6	164.2	0	0	0	112.4	W179 K182 Q211	W179-I184 HydrophobicContact CH2-CD1 4.29Å; W179-I184 HydrophobicContact CZ2-CD1 4Å; W179-I184 HydrophobicContact CZ2-CG2 3.84Å; K182-I184 PolarHBondContact O-N 2.87Å; I184-Q211 HydrophobicContact CD1-CB 4.39Å; I184-Q211 HydrophobicContact CG1-CB 4.12Å; I184-Q211 HydrophobicContact CG1-CG 4.42Å
185	D	91.9	Very high	97.1	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.011	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	20.1	179.7	64.4	4.4	0	0	0	112.3	A178 N183 R187 R274	A178-D185 VanDerWaalsContact CB-OD2 3.31Å; A178-D185 WeakPolarHBondContact CB-OD2 3.37Å; N183-D185 PolarHBondContact O-N 3.2Å; D185-R187 PolarHBondContact O-N 3.44Å; D185-R187 VanDerWaalsContact O-N 3.14Å; D185-R187 WeakPolarHBondContact OD1-CB 3.4Å; D185-R187 PolarHBondContact OD1-N 3.1Å; D185-R187 VanDerWaalsContact OD1-N 3.07Å; D185-R187 IonicContact OD1-NE 3.71Å; D185-R187 IonicContact OD2-CZ 3.44Å; D185-R187 IonicContact OD2-NE 3.97Å; D185-R187 PolarHBondContact OD2-NE 2.8Å; D185-R187 IonicContact OD2-NH2 3.75Å; D185-R187 PolarHBondContact OD2-NH2 2.77Å; D185-R274 WeakPolarHBondContact O-CD 3.35Å; D185-R274 PolarHBondContact O-NH1 3.12Å
186	R	95.4	Very high	97	Very high	112 Å²	112	32.3 Å²	32.3	42%	0.423	16%	0.162	S	C	.	.	S	Bend	trans	62.1	16.3	178.7	-51.6	177.7	178.3	-163.5	-2.9	115.4	E142 V143 N183 C188 R274	E142-R186 WeakPolarHBondContact CA-O 3.33Å; E142-R186 HydrophobicContact CB-CB 4.17Å; E142-R186 VanDerWaalsContact CD-CD 3.5Å; E142-R186 HydrophobicContact CG-CB 3.87Å; E142-R186 WeakPolarHBondContact OE2-CD 3.25Å; E142-R186 IonicContact OE2-NH1 3.6Å; V143-R186 PolarHBondContact N-O 3.14Å; V143-R186 VanDerWaalsContact O-O 3.09Å; N183-R186 PolarHBondContact O-N 3.11Å; N183-R186 WeakPolarHBondContact OD1-CA 3.3Å; R186-C188 PolarHBondContact O-N 2.82Å; R186-R274 HydrophobicContact CG-CB 4.33Å; R186-R274 PolarHBondContact NE-O 2.96Å; R186-R274 PolarHBondContact NH2-O 2.61Å
187	R	96	Very high	97	Very high	20 Å²	20	32.9 Å²	32.9	8%	0.075	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-88	77.2	166.9	-66.5	-173.6	-79.4	-163.3	-9.1	109.3	E140 N183 D185 Y189 Y191	E140-R187 IonicContact OE1-CZ 3.1Å; E140-R187 IonicContact OE1-NH1 3.71Å; E140-R187 PolarHBondContact OE1-NH1 2.9Å; N183-R187 VanDerWaalsContact OD1-C 3.29Å; N183-R187 PolarHBondContact OD1-N 2Å; D185-R187 PolarHBondContact O-N 3.44Å; D185-R187 VanDerWaalsContact O-N 3.14Å; D185-R187 WeakPolarHBondContact OD1-CB 3.4Å; D185-R187 PolarHBondContact OD1-N 3.1Å; D185-R187 VanDerWaalsContact OD1-N 3.07Å; D185-R187 IonicContact OD1-NE 3.71Å; D185-R187 IonicContact OD2-CZ 3.44Å; D185-R187 IonicContact OD2-NE 3.97Å; D185-R187 PolarHBondContact OD2-NE 2.8Å; D185-R187 IonicContact OD2-NH2 3.75Å; D185-R187 PolarHBondContact OD2-NH2 2.77Å; R187-Y189 HydrophobicContact CB-CD1 4.04Å; R187-Y189 HydrophobicContact CB-CE1 3.71Å; R187-Y189 HydrophobicContact CB-CE2 4.26Å; R187-Y189 HydrophobicContact CB-CG 4.42Å; R187-Y189 HydrophobicContact CG-CE1 4.07Å; R187-Y189 PolarHBondContact O-N 2.93Å; R187-Y191 PolarHBondContact O-OH 2.99Å
188	C	96.3	Very high	97	Very high	19 Å²	19	33.2 Å²	33.2	13%	0.128	17%	0.169	C	C	.	.			trans	-78.2	72.2	177.5	-167	0	0	0	0	110.1	V143 C145 Y150 N183 R186	V143-C188 WeakPolarHBondContact CG1-O 3.25Å; V143-C188 WeakPolarHBondContact O-CB 3.18Å; V143-C188 PolarHBondContact O-N 3.27Å; V143-C188 VanDerWaalsContact O-N 3.16Å; C145-C188 HydrophobicContact CB-CB 4Å; C145-C188 WeakPolarHBondContact CB-SG 3.48Å; C145-C188 WeakPolarHBondContact SG-CB 2.97Å; C145-C188 CovalentContact SG-SG 2.02Å; C145-C188 PolarHBondContact SG-SG 2.71Å; Y150-C188 WeakPolarHBondContact CD2-O 3.07Å; Y150-C188 VanDerWaalsContact CE2-O 3.29Å; Y150-C188 WeakPolarHBondContact CE2-O 2.99Å; N183-C188 WeakPolarHBondContact OD1-CA 3.41Å; N183-C188 WeakPolarHBondContact OD1-CB 3.37Å; N183-C188 PolarHBondContact OD1-N 2.92Å; R186-C188 PolarHBondContact O-N 2.82Å
189	Y	97.9	Very high	97.1	Very high	8 Å²	8	34.8 Å²	34.8	3%	0.031	18%	0.178	C	C	.	.			trans	-88.5	154.8	-178.1	-62	-5.9	0	0	0	111.1	I139 Q141 V143 L153 F175 R187 Y191 I194	I139-Y189 PolarHBondContact O-OH 3.13Å; Q141-Y189 PolarHBondContact N-OH 3.43Å; Q141-Y189 PolarHBondContact O-OH 3.17Å; V143-Y189 HydrophobicContact CB-CD1 3.79Å; V143-Y189 HydrophobicContact CB-CE1 3.73Å; V143-Y189 HydrophobicContact CG1-CD1 4.4Å; V143-Y189 HydrophobicContact CG2-CD1 3.78Å; V143-Y189 HydrophobicContact CG2-CE1 3.38Å; L153-Y189 HydrophobicContact CD2-CD1 3.68Å; L153-Y189 HydrophobicContact CD2-CD2 3.71Å; L153-Y189 HydrophobicContact CD2-CE1 3.81Å; L153-Y189 HydrophobicContact CD2-CE2 3.8Å; L153-Y189 HydrophobicContact CD2-CG 3.65Å; F175-Y189 HydrophobicContact CE1-CD2 4.17Å; F175-Y189 HydrophobicContact CE1-CE2 4.02Å; F175-Y189 HydrophobicContact CZ-CD2 4.46Å; F175-Y189 HydrophobicContact CZ-CE2 4.16Å; R187-Y189 HydrophobicContact CB-CD1 4.04Å; R187-Y189 HydrophobicContact CB-CE1 3.71Å; R187-Y189 HydrophobicContact CB-CE2 4.26Å; R187-Y189 HydrophobicContact CB-CG 4.42Å; R187-Y189 HydrophobicContact CG-CE1 4.07Å; R187-Y189 PolarHBondContact O-N 2.93Å; Y189-Y191 HydrophobicContact CD2-CE1 4.18Å; Y189-Y191 HydrophobicContact CG-CE1 4.42Å; Y189-Y191 VanDerWaalsContact O-CD2 3.24Å; Y189-Y191 WeakPolarHBondContact O-CD2 3.19Å; Y189-Y191 PolarHBondContact O-N 2.92Å; Y189-I194 HydrophobicContact CD2-CD1 4.34Å; Y189-I194 HydrophobicContact CG-CD1 4.43Å
190	N	98.1	Very high	97.1	Very high	35 Å²	35	33.8 Å²	33.8	19%	0.187	17%	0.174	C	C	.	.			trans	-75.4	73.4	167.3	-172.6	-3.3	0	0	0	110.1	Y150 T154 T192 G193 I194	Y150-N190 HydrophobicContact CE1-CB 3.75Å; Y150-N190 HydrophobicContact CE2-CB 4.08Å; Y150-N190 VanDerWaalsContact CZ-CB 3.49Å; Y150-N190 WeakPolarHBondContact OH-CA 3.49Å; Y150-N190 WeakPolarHBondContact OH-CB 3.41Å; T154-N190 WeakPolarHBondContact OG1-CB 3.34Å; N190-T192 VanDerWaalsContact C-N 3.26Å; N190-T192 PolarHBondContact O-N 2.86Å; N190-T192 PolarHBondContact OD1-OG1 2.62Å; N190-G193 PolarHBondContact O-N 2.84Å; N190-G193 VanDerWaalsContact O-N 3.16Å; N190-G193 PolarHBondContact OD1-N 3.45Å; N190-G193 VanDerWaalsContact OD1-N 3.11Å; N190-I194 WeakPolarHBondContact O-CG1 3.26Å; N190-I194 PolarHBondContact O-N 3.16Å
191	Y	98.4	Very high	97.2	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-35.3	-172.3	-65.1	-72.7	0	0	0	113.7	V177 P181 R187 Y189 A195 Y234 M237	V177-Y191 HydrophobicContact CB-CD1 4.27Å; V177-Y191 HydrophobicContact CB-CE1 4.05Å; V177-Y191 HydrophobicContact CG1-CD1 4.05Å; V177-Y191 HydrophobicContact CG1-CE1 4.19Å; P181-Y191 HydrophobicContact CB-CD2 3.83Å; P181-Y191 HydrophobicContact CB-CE2 3.91Å; P181-Y191 HydrophobicContact CB-CG 4.39Å; R187-Y191 PolarHBondContact O-OH 2.99Å; Y189-Y191 HydrophobicContact CD2-CE1 4.18Å; Y189-Y191 HydrophobicContact CG-CE1 4.42Å; Y189-Y191 VanDerWaalsContact O-CD2 3.24Å; Y189-Y191 WeakPolarHBondContact O-CD2 3.19Å; Y189-Y191 PolarHBondContact O-N 2.92Å; Y191-A195 VanDerWaalsContact O-CB 3.26Å; Y191-A195 WeakPolarHBondContact O-CB 2.95Å; Y191-A195 PolarHBondContact O-N 3.22Å; Y191-Y234 AromaticContact CD1-CE1 3.74Å; Y191-Y234 HydrophobicContact CD1-CE1 3.74Å; Y191-Y234 HydrophobicContact CE1-CE1 4.2Å; Y191-Y234 AromaticContact CG-CE1 3.89Å; Y191-Y234 HydrophobicContact CG-CE1 3.89Å; Y191-M237 HydrophobicContact CD2-CE 4.18Å
192	T	98.5	Very high	97.3	Very high	45 Å²	45	32.9 Å²	32.9	28%	0.276	17%	0.168	S	C	.	.	H	α-helix	trans	-69.2	-47.2	176.4	49.6	0	0	0	0	111.3	N190 I194 A195 D196 M237 I239	N190-T192 VanDerWaalsContact C-N 3.26Å; N190-T192 PolarHBondContact O-N 2.86Å; N190-T192 PolarHBondContact OD1-OG1 2.62Å; T192-I194 VanDerWaalsContact C-N 3.34Å; T192-I194 PolarHBondContact O-N 2.97Å; T192-A195 PolarHBondContact O-N 2.89Å; T192-D196 PolarHBondContact O-N 3.24Å; T192-M237 HydrophobicContact CG2-CB 4Å; T192-M237 HydrophobicContact CG2-CE 4.35Å; T192-M237 WeakPolarHBondContact CG2-O 3.39Å; T192-I239 HydrophobicContact CG2-CD1 4.44Å; T192-I239 HydrophobicContact CG2-CG1 3.92Å
193	G	98.7	Very high	97.4	Very high	16 Å²	16	26.6 Å²	26.6	17%	0.165	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-39.6	176.5	0	0	0	0	0	113	N190 A197	N190-G193 PolarHBondContact O-N 2.84Å; N190-G193 VanDerWaalsContact O-N 3.16Å; N190-G193 PolarHBondContact OD1-N 3.45Å; N190-G193 VanDerWaalsContact OD1-N 3.11Å; G193-A197 VanDerWaalsContact O-CB 3.25Å; G193-A197 WeakPolarHBondContact O-CB 3.36Å; G193-A197 PolarHBondContact O-N 2.76Å; G193-A197 VanDerWaalsContact O-N 3.09Å
194	I	98.8	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.5	-45.3	175.5	-67.3	171.1	0	0	0	110.3	L153 V157 F175 Y189 N190 T192 D196 A197 C198 L201	L153-I194 HydrophobicContact CD2-CD1 4Å; L153-I194 HydrophobicContact CG-CD1 4.09Å; V157-I194 HydrophobicContact CG1-CG2 4.25Å; V157-I194 HydrophobicContact CG2-CG2 4.25Å; F175-I194 HydrophobicContact CB-CG2 4.05Å; F175-I194 HydrophobicContact CD1-CG2 4.07Å; F175-I194 HydrophobicContact CD2-CG2 4.21Å; F175-I194 HydrophobicContact CG-CG2 3.84Å; Y189-I194 HydrophobicContact CD2-CD1 4.34Å; Y189-I194 HydrophobicContact CG-CD1 4.43Å; N190-I194 WeakPolarHBondContact O-CG1 3.26Å; N190-I194 PolarHBondContact O-N 3.16Å; T192-I194 VanDerWaalsContact C-N 3.34Å; T192-I194 PolarHBondContact O-N 2.97Å; I194-D196 VanDerWaalsContact C-N 3.33Å; I194-D196 PolarHBondContact O-N 3.13Å; I194-A197 PolarHBondContact O-N 2.92Å; I194-A197 VanDerWaalsContact O-N 3.1Å; I194-C198 PolarHBondContact O-N 3.4Å; I194-C198 VanDerWaalsContact O-N 3.12Å; I194-C198 PolarHBondContact O-SG 3.04Å; I194-L201 HydrophobicContact CG2-CD2 3.78Å
195	A	98.8	Very high	97.9	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-45.6	176.3	0	0	0	0	0	111.5	Y191 T192 A197 L201 I239 K243	Y191-A195 VanDerWaalsContact O-CB 3.26Å; Y191-A195 WeakPolarHBondContact O-CB 2.95Å; Y191-A195 PolarHBondContact O-N 3.22Å; T192-A195 PolarHBondContact O-N 2.89Å; A195-A197 PolarHBondContact O-N 2.81Å; A195-L201 HydrophobicContact CB-CD1 3.86Å; A195-L201 HydrophobicContact CB-CD2 4.35Å; A195-L201 HydrophobicContact CB-CG 4.07Å; A195-I239 HydrophobicContact CB-CD1 4.11Å; A195-I239 HydrophobicContact CB-CG1 4.22Å; A195-I239 HydrophobicContact CB-CG2 3.85Å; A195-K243 WeakPolarHBondContact O-CE 3.23Å; A195-K243 PolarHBondContact O-NZ 2.75Å
196	D	98.8	Very high	98.3	Very high	136 Å²	136	22.7 Å²	22.7	73%	0.727	12%	0.119	S	C	*	.	H	α-helix	trans	-63.6	-29.4	178	-72.1	-18	0	0	0	112.4	T192 I194	T192-D196 PolarHBondContact O-N 3.24Å; I194-D196 VanDerWaalsContact C-N 3.33Å; I194-D196 PolarHBondContact O-N 3.13Å
197	A	98.8	Very high	98.4	Very high	15 Å²	15	19.2 Å²	19.2	12%	0.124	11%	0.109	C	C	.	.	H	α-helix	trans	-83	-35.7	-174.5	0	0	0	0	0	114.9	V157 K158 T161 G193 I194 A195	V157-A197 HydrophobicContact CB-CB 4.36Å; V157-A197 HydrophobicContact CG1-CB 3.9Å; K158-A197 HydrophobicContact CB-CB 3.9Å; K158-A197 HydrophobicContact CG-CB 4.41Å; T161-A197 WeakPolarHBondContact CB-O 3.43Å; T161-A197 WeakPolarHBondContact CG2-O 3.4Å; T161-A197 PolarHBondContact OG1-O 3.22Å; T161-A197 VanDerWaalsContact OG1-O 3.07Å; G193-A197 VanDerWaalsContact O-CB 3.25Å; G193-A197 WeakPolarHBondContact O-CB 3.36Å; G193-A197 PolarHBondContact O-N 2.76Å; G193-A197 VanDerWaalsContact O-N 3.09Å; I194-A197 PolarHBondContact O-N 2.92Å; I194-A197 VanDerWaalsContact O-N 3.1Å; A195-A197 PolarHBondContact O-N 2.81Å
198	C	98.8	Very high	98.5	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.041	11%	0.106	C	C	.	.	S	Bend	trans	-98.5	-175.7	-177.9	67.7	0	0	0	0	112.4	V157 V173 I194 F200 K243	V157-C198 HydrophobicContact CG1-CB 3.73Å; V173-C198 WeakPolarHBondContact O-CB 3.15Å; I194-C198 PolarHBondContact O-N 3.4Å; I194-C198 VanDerWaalsContact O-N 3.12Å; I194-C198 PolarHBondContact O-SG 3.04Å; C198-F200 VanDerWaalsContact SG-C 3.59Å; C198-F200 PolarHBondContact SG-O 2.59Å; C198-F200 VanDerWaalsContact SG-O 3.34Å; C198-K243 PolarHBondContact O-NZ 3.19Å
199	D	98.7	Very high	98.6	Very high	34 Å²	34	18.4 Å²	18.4	18%	0.182	10%	0.104	C	C	.	.	S	Bend	trans	-75.3	-46.4	173.8	-71.8	-62.5	0	0	0	112.4	H165 Q172 V173 K243	H165-D199 IonicContact CE1-OD1 2.76Å; H165-D199 IonicContact CE1-OD2 2.88Å; H165-D199 IonicContact NE2-OD1 3.98Å; H165-D199 IonicContact NE2-OD2 2.74Å; H165-D199 PolarHBondContact NE2-OD2 3.05Å; Q172-D199 VanDerWaalsContact CA-OD2 3.27Å; Q172-D199 WeakPolarHBondContact CA-OD2 3.48Å; Q172-D199 HydrophobicContact CG-CB 4.47Å; V173-D199 PolarHBondContact N-OD2 3.27Å; V173-D199 WeakPolarHBondContact O-CB 3.46Å; V173-D199 PolarHBondContact O-N 2.94Å; D199-K243 WeakPolarHBondContact O-CD 3.48Å; D199-K243 VanDerWaalsContact O-CE 3.28Å; D199-K243 WeakPolarHBondContact O-CE 3.26Å; D199-K243 PolarHBondContact O-NZ 2.76Å
200	F	98.9	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	161.8	172.1	55.6	-99.1	0	0	0	111.2	E56 F58 Q172 T174 F175 C198 K243 V245 R346	E56-F200 HydrophobicContact CG-CE1 3.96Å; E56-F200 HydrophobicContact CG-CZ 4.2Å; F58-F200 AromaticContact CD2-CE2 3.78Å; F58-F200 HydrophobicContact CD2-CE2 3.78Å; F58-F200 AromaticContact CD2-CZ 3.59Å; F58-F200 HydrophobicContact CD2-CZ 3.59Å; F58-F200 AromaticContact CE2-CE2 3.91Å; F58-F200 HydrophobicContact CE2-CE2 3.91Å; F58-F200 AromaticContact CE2-CZ 3.76Å; F58-F200 HydrophobicContact CE2-CZ 3.76Å; F58-F200 HydrophobicContact CG-CE2 4.44Å; Q172-F200 HydrophobicContact CG-CE1 4.2Å; T174-F200 WeakPolarHBondContact CA-O 3.08Å; T174-F200 HydrophobicContact CG2-CD1 4.02Å; T174-F200 HydrophobicContact CG2-CD2 3.64Å; T174-F200 HydrophobicContact CG2-CE1 3.69Å; T174-F200 HydrophobicContact CG2-CE2 3.26Å; T174-F200 HydrophobicContact CG2-CG 4.01Å; T174-F200 HydrophobicContact CG2-CZ 3.29Å; F175-F200 PolarHBondContact N-O 3.28Å; C198-F200 VanDerWaalsContact SG-C 3.59Å; C198-F200 PolarHBondContact SG-O 2.59Å; C198-F200 VanDerWaalsContact SG-O 3.34Å; F200-K243 CarbonylContact C-O 3.58Å; F200-K243 WeakPolarHBondContact CA-O 3.28Å; F200-K243 WeakPolarHBondContact CB-O 3.28Å; F200-V245 HydrophobicContact CD2-CB 4.1Å; F200-V245 HydrophobicContact CD2-CG2 3.43Å; F200-V245 VanDerWaalsContact CD2-CG2 3.43Å; F200-V245 HydrophobicContact CE2-CB 4.25Å; F200-V245 HydrophobicContact CE2-CG2 3.59Å; F200-V245 HydrophobicContact CG-CG2 3.97Å; F200-V245 HydrophobicContact CZ-CG2 4.22Å; F200-R346 HydrophobicContact CB-CG 4.44Å; F200-R346 HydrophobicContact CD1-CG 4.27Å; F200-R346 HydrophobicContact CG-CG 4.41Å
201	L	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.5	169.3	-53	-177.5	0	0	0	109.3	F175 V177 I194 A195 I239 K243 L244 V245	F175-L201 HydrophobicContact CB-CD2 4.23Å; F175-L201 WeakPolarHBondContact O-CA 3.34Å; V177-L201 HydrophobicContact CG1-CB 4.36Å; V177-L201 HydrophobicContact CG1-CD1 4.13Å; V177-L201 HydrophobicContact CG1-CD2 3.92Å; V177-L201 HydrophobicContact CG1-CG 4.37Å; V177-L201 HydrophobicContact CG2-CB 4.04Å; V177-L201 HydrophobicContact CG2-CD1 4.26Å; I194-L201 HydrophobicContact CG2-CD2 3.78Å; A195-L201 HydrophobicContact CB-CD1 3.86Å; A195-L201 HydrophobicContact CB-CD2 4.35Å; A195-L201 HydrophobicContact CB-CG 4.07Å; L201-I239 HydrophobicContact CD1-CD1 4.15Å; L201-K243 PolarHBondContact N-O 3.22Å; L201-L244 HydrophobicContact CB-CD2 4.19Å; L201-L244 HydrophobicContact CD1-CD2 4.04Å; L201-L244 HydrophobicContact CG-CD2 4.49Å; L201-V245 PolarHBondContact O-N 3.01Å
202	F	98.9	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	110.7	162.3	-173.9	-86.5	0	0	0	107.7	F58 F60 F175 D176 V177 M204 Y206 V245	F58-F202 HydrophobicContact CB-CD2 4.22Å; F58-F202 HydrophobicContact CB-CE2 4.23Å; F58-F202 AromaticContact CD1-CD2 3.65Å; F58-F202 HydrophobicContact CD1-CD2 3.65Å; F58-F202 AromaticContact CD1-CE2 3.91Å; F58-F202 HydrophobicContact CD1-CE2 3.91Å; F58-F202 HydrophobicContact CD1-CG 4.45Å; F58-F202 HydrophobicContact CE1-CD2 4.29Å; F58-F202 HydrophobicContact CG-CD2 4.13Å; F58-F202 HydrophobicContact CG-CE2 4.44Å; F60-F202 HydrophobicContact CD2-CE1 4.32Å; F60-F202 HydrophobicContact CD2-CE2 4.39Å; F60-F202 HydrophobicContact CD2-CZ 4.05Å; F60-F202 AromaticContact CE2-CD1 3.69Å; F60-F202 HydrophobicContact CE2-CD1 3.69Å; F60-F202 AromaticContact CE2-CD2 3.88Å; F60-F202 HydrophobicContact CE2-CD2 3.88Å; F60-F202 AromaticContact CE2-CE1 3.47Å; F60-F202 HydrophobicContact CE2-CE1 3.47Å; F60-F202 VanDerWaalsContact CE2-CE1 3.47Å; F60-F202 AromaticContact CE2-CE2 3.66Å; F60-F202 HydrophobicContact CE2-CE2 3.66Å; F60-F202 AromaticContact CE2-CG 3.9Å; F60-F202 HydrophobicContact CE2-CG 3.9Å; F60-F202 AromaticContact CE2-CZ 3.45Å; F60-F202 HydrophobicContact CE2-CZ 3.45Å; F60-F202 VanDerWaalsContact CE2-CZ 3.45Å; F60-F202 AromaticContact CZ-CD1 3.91Å; F60-F202 HydrophobicContact CZ-CD1 3.91Å; F60-F202 HydrophobicContact CZ-CE1 4.07Å; F60-F202 HydrophobicContact CZ-CG 4.15Å; F60-F202 HydrophobicContact CZ-CZ 4.44Å; F175-F202 PolarHBondContact O-N 2.91Å; D176-F202 WeakPolarHBondContact CA-O 3.4Å; D176-F202 WeakPolarHBondContact OD1-CB 3.35Å; V177-F202 PolarHBondContact N-O 3.45Å; F202-M204 HydrophobicContact CD1-CG 4.14Å; F202-M204 HydrophobicContact CE1-CG 4.38Å; F202-M204 PolarHBondContact O-N 2.9Å; F202-Y206 HydrophobicContact CE1-CE1 4.12Å; F202-V245 HydrophobicContact CD2-CB 4.16Å; F202-V245 HydrophobicContact CD2-CG1 3.64Å; F202-V245 HydrophobicContact CE2-CG1 3.91Å
203	V	98.9	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115	-179.1	179.5	0	0	0	0	108	V177 S205 Y231 Y234 L244 V245 G247	V177-V203 HydrophobicContact CG2-CB 4.15Å; V177-V203 HydrophobicContact CG2-CG1 4.46Å; V177-V203 HydrophobicContact CG2-CG2 3.68Å; V203-S205 PolarHBondContact O-N 2.82Å; V203-Y231 HydrophobicContact CB-CE1 3.81Å; V203-Y231 WeakPolarHBondContact CB-OH 3.17Å; V203-Y231 HydrophobicContact CG1-CE1 4.12Å; V203-Y231 HydrophobicContact CG1-CE2 4.48Å; V203-Y231 HydrophobicContact CG2-CE1 3.88Å; V203-Y231 PolarHBondContact O-OH 3.46Å; V203-Y234 HydrophobicContact CG1-CD2 4.34Å; V203-Y234 HydrophobicContact CG1-CE2 3.79Å; V203-Y234 HydrophobicContact CG2-CD2 4.22Å; V203-Y234 HydrophobicContact CG2-CE2 4.06Å; V203-L244 HydrophobicContact CG2-CD2 4.01Å; V203-V245 PolarHBondContact N-O 3.41Å; V203-G247 VanDerWaalsContact O-CA 3.25Å; V203-G247 WeakPolarHBondContact O-CA 3.08Å; V203-G247 PolarHBondContact O-N 2.84Å
204	M	98.8	Very high	98	Very high	13 Å²	13	26.2 Å²	26.2	6%	0.064	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	66.2	179.2	-62.6	-173.1	-77.4	0	0	110.7	E140 D176 V177 W179 F202 Y206	E140-M204 HydrophobicContact CG-CE 4.38Å; E140-M204 WeakPolarHBondContact OE1-CE 3.43Å; D176-M204 HydrophobicContact CB-CE 3.87Å; D176-M204 HydrophobicContact CB-CG 4.19Å; D176-M204 HydrophobicContact CB-SD 3.88Å; V177-M204 WeakPolarHBondContact O-CB 3.4Å; V177-M204 PolarHBondContact O-N 2.85Å; W179-M204 WeakPolarHBondContact CB-O 3.34Å; F202-M204 HydrophobicContact CD1-CG 4.14Å; F202-M204 HydrophobicContact CE1-CG 4.38Å; F202-M204 PolarHBondContact O-N 2.9Å; M204-Y206 HydrophobicContact CB-CD2 4.3Å; M204-Y206 HydrophobicContact CB-CE1 4.21Å; M204-Y206 HydrophobicContact CB-CE2 3.67Å; M204-Y206 HydrophobicContact CG-CE2 4.1Å; M204-Y206 WeakPolarHBondContact CG-OH 3.33Å; M204-Y206 PolarHBondContact O-N 3.02Å; M204-Y206 HydrophobicContact SD-CE2 4.37Å
205	S	98.6	Very high	97.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	17%	0.171	C	C	.	.			trans	-76.3	63.6	178	41.4	0	0	0	0	112.6	V203 A222 Y231 G247	V203-S205 PolarHBondContact O-N 2.82Å; S205-A222 VanDerWaalsContact O-CB 3.31Å; S205-A222 WeakPolarHBondContact O-CB 3.27Å; S205-Y231 PolarHBondContact OG-OH 3.42Å; S205-G247 PolarHBondContact OG-O 3.32Å
206	Y	98.6	Very high	97.8	Very high	11 Å²	11	34.3 Å²	34.3	4%	0.043	18%	0.178	C	C	.	.			trans	-154.1	171.3	172.6	41.8	-102.9	0	0	0	108.2	F202 M204 E208 P249 Y251 W351	F202-Y206 HydrophobicContact CE1-CE1 4.12Å; M204-Y206 HydrophobicContact CB-CD2 4.3Å; M204-Y206 HydrophobicContact CB-CE1 4.21Å; M204-Y206 HydrophobicContact CB-CE2 3.67Å; M204-Y206 HydrophobicContact CG-CE2 4.1Å; M204-Y206 WeakPolarHBondContact CG-OH 3.33Å; M204-Y206 PolarHBondContact O-N 3.02Å; M204-Y206 HydrophobicContact SD-CE2 4.37Å; Y206-E208 PolarHBondContact O-N 3.17Å; Y206-P249 HydrophobicContact CD1-CB 4.47Å; Y206-P249 HydrophobicContact CG-CB 4.34Å; Y206-Y251 HydrophobicContact CD2-CE1 4.49Å; Y206-Y251 WeakPolarHBondContact CD2-OH 3.47Å; Y206-Y251 HydrophobicContact CG-CE1 4.46Å; Y206-W351 HydrophobicContact CD1-CB 4.44Å; Y206-W351 HydrophobicContact CE1-CB 3.69Å; Y206-W351 HydrophobicContact CE2-CB 4.13Å; Y206-W351 HydrophobicContact CE2-CG 4.44Å; Y206-W351 WeakPolarHBondContact OH-CB 3.4Å
207	D	98.4	Very high	97.8	Very high	39 Å²	39	30.2 Å²	30.2	21%	0.209	16%	0.156	C	C	.	.			trans	55.2	34.4	-170.7	-51.7	-24.6	0	0	0	111.1	Q209 S210 N221 Y251 Y253	D207-Q209 PolarHBondContact O-N 3.16Å; D207-Q209 VanDerWaalsContact O-N 3.07Å; D207-S210 VanDerWaalsContact O-CB 3.26Å; D207-S210 WeakPolarHBondContact O-CB 3.4Å; D207-S210 PolarHBondContact O-N 3.12Å; D207-S210 PolarHBondContact O-OG 3.29Å; D207-N221 VanDerWaalsContact CA-OD1 3.28Å; D207-N221 WeakPolarHBondContact CA-OD1 3.47Å; D207-N221 PolarHBondContact N-O 3.32Å; D207-N221 PolarHBondContact N-OD1 3.17Å; D207-N221 PolarHBondContact OD1-OD1 3.1Å; D207-Y251 WeakPolarHBondContact OD1-CE2 3.22Å; D207-Y251 PolarHBondContact OD1-OH 2.91Å; D207-Y251 PolarHBondContact OD2-OH 3.19Å; D207-Y251 VanDerWaalsContact OD2-OH 3.1Å; D207-Y253 VanDerWaalsContact OD1-CE2 3.28Å; D207-Y253 WeakPolarHBondContact OD1-CE2 3.43Å; D207-Y253 PolarHBondContact OD1-OH 3.4Å; D207-Y253 VanDerWaalsContact OD1-OH 3.1Å
208	E	98.4	Very high	97.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-6.8	-176.6	-58.2	-169.8	-170.8	0	0	112.2	W179 Y206 N221 P223 Q226 T227	W179-E208 HydrophobicContact CB-CG 4.05Å; W179-E208 HydrophobicContact CD2-CB 4.25Å; W179-E208 HydrophobicContact CD2-CG 3.93Å; W179-E208 HydrophobicContact CE3-CG 4.28Å; W179-E208 HydrophobicContact CG-CB 4.45Å; W179-E208 HydrophobicContact CG-CG 3.81Å; Y206-E208 PolarHBondContact O-N 3.17Å; E208-N221 WeakPolarHBondContact CB-O 3.44Å; E208-N221 PolarHBondContact N-O 3.2Å; E208-P223 WeakPolarHBondContact OE2-CD 3.47Å; E208-Q226 HydrophobicContact CB-CG 4.5Å; E208-Q226 PolarHBondContact O-NE2 3.19Å; E208-Q226 VanDerWaalsContact OE2-CB 3.22Å; E208-Q226 WeakPolarHBondContact OE2-CB 3.41Å; E208-Q226 WeakPolarHBondContact OE2-CG 3.38Å; E208-T227 VanDerWaalsContact OE1-CA 3.32Å; E208-T227 WeakPolarHBondContact OE1-CA 3.36Å; E208-T227 WeakPolarHBondContact OE1-CB 3.21Å; E208-T227 PolarHBondContact OE1-OG1 3.05Å; E208-T227 PolarHBondContact OE2-N 3.36Å; E208-T227 VanDerWaalsContact OE2-N 3.11Å; E208-T227 PolarHBondContact OE2-OG1 3.12Å
209	Q	97.8	Very high	97.8	Very high	20 Å²	20	29.9 Å²	29.9	9%	0.093	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	9.4	171.4	-53.1	-50.3	-46	0	0	113	D207 Q211 I212 A219 A220 S279 D280	D207-Q209 PolarHBondContact O-N 3.16Å; D207-Q209 VanDerWaalsContact O-N 3.07Å; Q209-Q211 PolarHBondContact O-N 2.81Å; Q209-I212 HydrophobicContact CB-CD1 4.23Å; Q209-I212 HydrophobicContact CB-CG1 4.2Å; Q209-I212 WeakPolarHBondContact O-CG1 3.41Å; Q209-A219 HydrophobicContact CG-CB 4.06Å; Q209-A220 VanDerWaalsContact CG-O 3.26Å; Q209-A220 WeakPolarHBondContact CG-O 3.3Å; Q209-A220 PolarHBondContact NE2-O 3.23Å; Q209-S279 CarbonylContact O-C 3.57Å; Q209-S279 WeakPolarHBondContact O-CA 3.47Å; Q209-D280 HydrophobicContact CB-CB 4.09Å; Q209-D280 PolarHBondContact O-N 3.34Å
210	S	96.7	Very high	97.8	Very high	22 Å²	22	28.3 Å²	28.3	15%	0.154	15%	0.145	C	C	.	.	S	Bend	trans	-59.8	-24.8	172.3	-80.1	0	0	0	0	112.6	D207 F273 S279 D280	D207-S210 VanDerWaalsContact O-CB 3.26Å; D207-S210 WeakPolarHBondContact O-CB 3.4Å; D207-S210 PolarHBondContact O-N 3.12Å; D207-S210 PolarHBondContact O-OG 3.29Å; S210-F273 VanDerWaalsContact O-CD1 3.27Å; S210-F273 WeakPolarHBondContact O-CD1 3.24Å; S210-S279 WeakPolarHBondContact O-CB 3.4Å; S210-D280 VanDerWaalsContact CA-OD2 3.25Å; S210-D280 WeakPolarHBondContact CA-OD2 3.44Å; S210-D280 PolarHBondContact N-OD2 2.78Å; S210-D280 VanDerWaalsContact N-OD2 3.1Å; S210-D280 PolarHBondContact OG-OD2 3.5Å
211	Q	96.9	Very high	97.7	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.047	15%	0.145	C	C	.	.	S	Bend	trans	-128.4	100.4	171.8	-63.5	85.3	41.7	0	0	111.4	I184 Q209 F273 A276	I184-Q211 HydrophobicContact CD1-CB 4.39Å; I184-Q211 HydrophobicContact CG1-CB 4.12Å; I184-Q211 HydrophobicContact CG1-CG 4.42Å; Q209-Q211 PolarHBondContact O-N 2.81Å; Q211-F273 VanDerWaalsContact NE2-CD1 3.32Å; Q211-A276 HydrophobicContact CB-CB 3.77Å; Q211-A276 HydrophobicContact CG-CB 4.18Å
212	I	96.6	Very high	97.7	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-99.7	110.3	176.1	-58.4	164.7	0	0	0	109.1	Q209 E215 I268 P277 C278	Q209-I212 HydrophobicContact CB-CD1 4.23Å; Q209-I212 HydrophobicContact CB-CG1 4.2Å; Q209-I212 WeakPolarHBondContact O-CG1 3.41Å; I212-E215 WeakPolarHBondContact CG2-O 2.99Å; I212-I268 HydrophobicContact CD1-CD1 3.96Å; I212-P277 VanDerWaalsContact O-CD 3.24Å; I212-P277 WeakPolarHBondContact O-CD 3.29Å; I212-P277 WeakPolarHBondContact O-CG 3.42Å; I212-C278 HydrophobicContact CB-CB 3.91Å; I212-C278 WeakPolarHBondContact CB-O 3.45Å; I212-C278 HydrophobicContact CD1-CB 4.43Å; I212-C278 HydrophobicContact CG2-CB 4.22Å; I212-C278 PolarHBondContact N-O 3.1Å
213	W	94.4	Very high	97.7	Very high	151 Å²	151	28.8 Å²	28.8	57%	0.572	15%	0.148	S	C	*	.			trans	-96.7	-13.1	177.6	-61.5	94.1	0	0	0	113.6	G275 A276	W213-G275 VanDerWaalsContact CH2-O 3.31Å; W213-G275 WeakPolarHBondContact CH2-O 3.26Å; W213-G275 VanDerWaalsContact CZ3-O 3.31Å; W213-G275 WeakPolarHBondContact CZ3-O 3.48Å; W213-A276 HydrophobicContact CD2-CB 4.16Å; W213-A276 HydrophobicContact CH2-CB 4.45Å; W213-A276 HydrophobicContact CZ2-CB 4.06Å
214	S	94.6	Very high	97.7	Very high	86 Å²	86	31.7 Å²	31.7	60%	0.601	16%	0.16	S	C	*	.	S	Bend	trans	-87.7	-159.7	176.7	56.8	0	0	0	0	111.2
215	E	95.8	Very high	97.7	Very high	148 Å²	148	35.8 Å²	35.8	69%	0.692	18%	0.181	S	C	*	.			trans	-56.2	142.2	168.3	-60.1	-167.6	137	0	0	110.9	I212 I217	I212-E215 WeakPolarHBondContact CG2-O 2.99Å; E215-I217 VanDerWaalsContact C-N 3.27Å; E215-I217 HydrophobicContact CB-CG2 4.19Å; E215-I217 PolarHBondContact O-N 3.11Å
216	C	98.1	Very high	97.6	Very high	22 Å²	22	38.2 Å²	38.2	15%	0.149	19%	0.193	C	C	.	.			trans	-80.8	80.6	-179.1	-52.5	0	0	0	0	108.9	I268 C278	C216-I268 VanDerWaalsContact C-CG1 3.42Å; C216-I268 HydrophobicContact CB-CG1 4.14Å; C216-I268 VanDerWaalsContact O-CG1 3.3Å; C216-I268 WeakPolarHBondContact O-CG1 3.11Å; C216-I268 PolarHBondContact O-N 3.3Å; C216-C278 HydrophobicContact CB-CB 3.72Å; C216-C278 WeakPolarHBondContact CB-SG 3.24Å; C216-C278 WeakPolarHBondContact SG-CB 3.24Å; C216-C278 CovalentContact SG-SG 2Å; C216-C278 PolarHBondContact SG-SG 3.21Å
217	I	98.4	Very high	97.6	Very high	51 Å²	51	37.7 Å²	37.7	26%	0.262	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-121.7	150.5	178.7	61.5	172.9	0	0	0	110	E215 V265 C266 T267	E215-I217 VanDerWaalsContact C-N 3.27Å; E215-I217 HydrophobicContact CB-CG2 4.19Å; E215-I217 PolarHBondContact O-N 3.11Å; I217-V265 HydrophobicContact CB-CG1 4.23Å; I217-V265 HydrophobicContact CD1-CG1 4.43Å; I217-V265 HydrophobicContact CG2-CG1 3.71Å; I217-C266 CarbonylContact C-O 3.48Å; I217-C266 VanDerWaalsContact CA-O 3.24Å; I217-C266 WeakPolarHBondContact CA-O 3.4Å; I217-T267 HydrophobicContact CG2-CG2 4.28Å
218	A	98.4	Very high	97.6	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.033	19%	0.185	C	C	.	.			trans	-65.2	142.9	170.6	0	0	0	0	0	110.1	Y255 C266 I268 Q324	A218-Y255 HydrophobicContact CB-CD1 4.4Å; A218-Y255 HydrophobicContact CB-CD2 3.49Å; A218-Y255 VanDerWaalsContact CB-CD2 3.49Å; A218-Y255 HydrophobicContact CB-CE2 4.1Å; A218-Y255 HydrophobicContact CB-CG 3.66Å; A218-C266 HydrophobicContact CB-CB 3.94Å; A218-C266 PolarHBondContact N-O 2.93Å; A218-I268 HydrophobicContact CB-CG2 3.91Å; A218-Q324 HydrophobicContact CB-CB 4.48Å
219	A	98.4	Very high	97.6	Very high	10 Å²	10	39.7 Å²	39.7	8%	0.083	20%	0.204	C	C	.	.			trans	-150.9	171.5	-177.3	0	0	0	0	0	110.9	Q209 W326	Q209-A219 HydrophobicContact CG-CB 4.06Å; A219-W326 VanDerWaalsContact C-CG 3.47Å; A219-W326 WeakPolarHBondContact O-CB 3.38Å; A219-W326 VanDerWaalsContact O-CG 3.27Å
220	A	98.6	Very high	97.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	20%	0.199	C	C	.	.			trans	-59.8	139.8	178.7	0	0	0	0	0	111.4	Q209 A222 P223 Q308 A310 W326	Q209-A220 VanDerWaalsContact CG-O 3.26Å; Q209-A220 WeakPolarHBondContact CG-O 3.3Å; Q209-A220 PolarHBondContact NE2-O 3.23Å; A220-A222 VanDerWaalsContact C-N 3.27Å; A220-A222 PolarHBondContact O-N 3.17Å; A220-P223 HydrophobicContact CB-CB 4.31Å; A220-P223 HydrophobicContact CB-CG 3.99Å; A220-P223 VanDerWaalsContact O-CD 3.31Å; A220-P223 WeakPolarHBondContact O-CD 3.44Å; A220-P223 WeakPolarHBondContact O-CG 3.36Å; A220-Q308 HydrophobicContact CB-CB 4.12Å; A220-Q308 VanDerWaalsContact CB-OE1 3.27Å; A220-A310 HydrophobicContact CB-CB 3.5Å; A220-A310 VanDerWaalsContact CB-CB 3.5Å; A220-W326 HydrophobicContact CB-CD2 4.44Å; A220-W326 HydrophobicContact CB-CE3 3.7Å; A220-W326 HydrophobicContact CB-CZ3 4.16Å
221	N	98.7	Very high	97.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.192	C	C	.	.	S	Bend	trans	-59.8	-40.1	177.7	-174.4	21.3	0	0	0	111.9	D207 E208 P249 Y251 Y253	D207-N221 VanDerWaalsContact CA-OD1 3.28Å; D207-N221 WeakPolarHBondContact CA-OD1 3.47Å; D207-N221 PolarHBondContact N-O 3.32Å; D207-N221 PolarHBondContact N-OD1 3.17Å; D207-N221 PolarHBondContact OD1-OD1 3.1Å; E208-N221 WeakPolarHBondContact CB-O 3.44Å; E208-N221 PolarHBondContact N-O 3.2Å; N221-P249 VanDerWaalsContact ND2-CB 3.26Å; N221-P249 WeakPolarHBondContact ND2-CB 3.43Å; N221-Y251 WeakPolarHBondContact ND2-CE2 3.42Å; N221-Y253 HydrophobicContact CB-CD2 4.25Å; N221-Y253 WeakPolarHBondContact OD1-CE2 3.43Å
222	A	98.6	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-136.1	80.9	176	0	0	0	0	0	109.7	S205 A220 Y224 P249 K336	S205-A222 VanDerWaalsContact O-CB 3.31Å; S205-A222 WeakPolarHBondContact O-CB 3.27Å; A220-A222 VanDerWaalsContact C-N 3.27Å; A220-A222 PolarHBondContact O-N 3.17Å; A222-Y224 PolarHBondContact O-N 2.55Å; A222-P249 HydrophobicContact CB-CG 4.01Å; A222-K336 VanDerWaalsContact CB-NZ 3.27Å; A222-K336 VanDerWaalsContact O-CE 3.25Å; A222-K336 WeakPolarHBondContact O-CE 3.22Å; A222-K336 PolarHBondContact O-NZ 2.87Å
223	P	98.4	Very high	97.9	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.058	21%	0.205	C	C	.	.			trans	-63.5	133.4	179.6	-15.6	28.5	0	0	0	111.1	E208 A220 N225 Q226 T227 Q308	E208-P223 WeakPolarHBondContact OE2-CD 3.47Å; A220-P223 HydrophobicContact CB-CB 4.31Å; A220-P223 HydrophobicContact CB-CG 3.99Å; A220-P223 VanDerWaalsContact O-CD 3.31Å; A220-P223 WeakPolarHBondContact O-CD 3.44Å; A220-P223 WeakPolarHBondContact O-CG 3.36Å; P223-N225 PolarHBondContact O-N 3.38Å; P223-Q226 HydrophobicContact CB-CB 4.15Å; P223-Q226 HydrophobicContact CG-CB 4.36Å; P223-Q226 PolarHBondContact O-N 2.93Å; P223-T227 PolarHBondContact O-N 3.13Å; P223-T227 PolarHBondContact O-OG1 3.07Å; P223-Q308 HydrophobicContact CB-CB 4.17Å; P223-Q308 HydrophobicContact CB-CG 4.33Å
224	Y	98.5	Very high	98.1	Very high	61 Å²	61	32.9 Å²	32.9	24%	0.239	18%	0.178	C	C	.	.	H	α-helix	trans	-51	-51.8	-171.7	172.7	-99.7	0	0	0	114.3	A222 Q226 T227 L228 Q308 Q309 L335 K336	A222-Y224 PolarHBondContact O-N 2.55Å; Y224-Q226 VanDerWaalsContact C-N 3.3Å; Y224-Q226 PolarHBondContact O-N 2.73Å; Y224-T227 PolarHBondContact O-N 3.1Å; Y224-L228 HydrophobicContact CD1-CD1 4.47Å; Y224-L228 HydrophobicContact CD2-CD1 4.37Å; Y224-L228 HydrophobicContact CD2-CG 4.4Å; Y224-L228 HydrophobicContact CE1-CD1 3.77Å; Y224-L228 HydrophobicContact CE2-CD1 3.64Å; Y224-L228 HydrophobicContact CE2-CG 4.09Å; Y224-L228 WeakPolarHBondContact O-CG 2.76Å; Y224-L228 PolarHBondContact O-N 2.96Å; Y224-L228 WeakPolarHBondContact OH-CD1 3.32Å; Y224-Q308 PolarHBondContact N-O 3.1Å; Y224-Q309 HydrophobicContact CD1-CG 4.29Å; Y224-Q309 HydrophobicContact CG-CB 4.22Å; Y224-Q309 HydrophobicContact CG-CG 4.32Å; Y224-L335 HydrophobicContact CD2-CB 3.96Å; Y224-L335 HydrophobicContact CE2-CB 3.8Å; Y224-K336 HydrophobicContact CD2-CG 3.93Å
225	N	98.1	Very high	98.3	Very high	98 Å²	98	30.9 Å²	30.9	52%	0.524	16%	0.16	S	C	.	.	H	α-helix	trans	-66.1	-33.7	-177.8	-74.3	-35.3	0	0	0	112.5	P223 T229 D307	P223-N225 PolarHBondContact O-N 3.38Å; N225-T229 WeakPolarHBondContact O-CB 3.28Å; N225-T229 PolarHBondContact O-N 3.11Å; N225-T229 PolarHBondContact O-OG1 3.35Å; N225-D307 PolarHBondContact ND2-O 3.42Å
226	Q	97.9	Very high	98.4	Very high	53 Å²	53	31.1 Å²	31.1	25%	0.248	16%	0.159	C	C	.	.	H	α-helix	trans	-72.2	-47.7	179.9	-172.3	175.3	-7.5	0	0	110.2	W179 E208 P223 Y224 L228 T229 G230	W179-Q226 HydrophobicContact CE3-CG 4.19Å; W179-Q226 HydrophobicContact CH2-CG 3.87Å; W179-Q226 VanDerWaalsContact CZ2-NE2 3.32Å; W179-Q226 HydrophobicContact CZ3-CG 3.51Å; E208-Q226 HydrophobicContact CB-CG 4.5Å; E208-Q226 PolarHBondContact O-NE2 3.19Å; E208-Q226 VanDerWaalsContact OE2-CB 3.22Å; E208-Q226 WeakPolarHBondContact OE2-CB 3.41Å; E208-Q226 WeakPolarHBondContact OE2-CG 3.38Å; P223-Q226 HydrophobicContact CB-CB 4.15Å; P223-Q226 HydrophobicContact CG-CB 4.36Å; P223-Q226 PolarHBondContact O-N 2.93Å; Y224-Q226 VanDerWaalsContact C-N 3.3Å; Y224-Q226 PolarHBondContact O-N 2.73Å; Q226-L228 PolarHBondContact O-N 3.02Å; Q226-T229 WeakPolarHBondContact O-CB 3.42Å; Q226-T229 PolarHBondContact O-N 3.28Å; Q226-G230 PolarHBondContact O-N 3.14Å
227	T	98.5	Very high	98.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-50.6	-55.9	171.4	-61.5	0	0	0	0	111	E208 P223 Y224 T229 G230 Y231 K336	E208-T227 VanDerWaalsContact OE1-CA 3.32Å; E208-T227 WeakPolarHBondContact OE1-CA 3.36Å; E208-T227 WeakPolarHBondContact OE1-CB 3.21Å; E208-T227 PolarHBondContact OE1-OG1 3.05Å; E208-T227 PolarHBondContact OE2-N 3.36Å; E208-T227 VanDerWaalsContact OE2-N 3.11Å; E208-T227 PolarHBondContact OE2-OG1 3.12Å; P223-T227 PolarHBondContact O-N 3.13Å; P223-T227 PolarHBondContact O-OG1 3.07Å; Y224-T227 PolarHBondContact O-N 3.1Å; T227-T229 VanDerWaalsContact C-N 3.29Å; T227-T229 PolarHBondContact O-N 3.44Å; T227-G230 PolarHBondContact O-N 3.01Å; T227-G230 VanDerWaalsContact O-N 3.1Å; T227-Y231 HydrophobicContact CG2-CD2 4.23Å; T227-Y231 HydrophobicContact CG2-CE2 3.79Å; T227-Y231 WeakPolarHBondContact O-CD2 3.4Å; T227-Y231 PolarHBondContact O-N 3.38Å; T227-K336 HydrophobicContact CG2-CD 4.38Å
228	L	98.3	Very high	98.4	Very high	17 Å²	17	36.3 Å²	36.3	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-32.8	-177.3	-63.9	-160.7	0	0	0	113.3	Y224 Q226 G230 Y231 N232 M246 Y339	Y224-L228 HydrophobicContact CD1-CD1 4.47Å; Y224-L228 HydrophobicContact CD2-CD1 4.37Å; Y224-L228 HydrophobicContact CD2-CG 4.4Å; Y224-L228 HydrophobicContact CE1-CD1 3.77Å; Y224-L228 HydrophobicContact CE2-CD1 3.64Å; Y224-L228 HydrophobicContact CE2-CG 4.09Å; Y224-L228 WeakPolarHBondContact O-CG 2.76Å; Y224-L228 PolarHBondContact O-N 2.96Å; Y224-L228 WeakPolarHBondContact OH-CD1 3.32Å; Q226-L228 PolarHBondContact O-N 3.02Å; L228-G230 VanDerWaalsContact C-N 3.33Å; L228-Y231 PolarHBondContact O-N 2.82Å; L228-N232 VanDerWaalsContact O-CG 3.26Å; L228-N232 PolarHBondContact O-N 3.29Å; L228-N232 PolarHBondContact O-ND2 3.24Å; L228-N232 VanDerWaalsContact O-ND2 3.14Å; L228-M246 HydrophobicContact CD2-CE 4.2Å; L228-Y339 HydrophobicContact CB-CD2 4.35Å; L228-Y339 HydrophobicContact CB-CE2 4.38Å; L228-Y339 HydrophobicContact CD1-CD2 3.67Å; L228-Y339 HydrophobicContact CD1-CE2 4.39Å; L228-Y339 HydrophobicContact CD1-CG 4.22Å; L228-Y339 HydrophobicContact CD2-CD1 4.02Å; L228-Y339 HydrophobicContact CD2-CD2 3.66Å; L228-Y339 HydrophobicContact CD2-CE2 4.32Å; L228-Y339 HydrophobicContact CD2-CG 3.47Å; L228-Y339 VanDerWaalsContact CD2-CG 3.47Å; L228-Y339 HydrophobicContact CG-CD2 4.08Å; L228-Y339 HydrophobicContact CG-CG 4.38Å
229	T	98.3	Very high	98.4	Very high	65 Å²	65	36.5 Å²	36.5	40%	0.399	19%	0.193	S	C	.	.	H	α-helix	trans	-63.1	-40.8	174.2	-63.2	0	0	0	0	111.2	N225 Q226 T227 Y231 N232 D233	N225-T229 WeakPolarHBondContact O-CB 3.28Å; N225-T229 PolarHBondContact O-N 3.11Å; N225-T229 PolarHBondContact O-OG1 3.35Å; Q226-T229 WeakPolarHBondContact O-CB 3.42Å; Q226-T229 PolarHBondContact O-N 3.28Å; T227-T229 VanDerWaalsContact C-N 3.29Å; T227-T229 PolarHBondContact O-N 3.44Å; T229-Y231 PolarHBondContact O-N 2.71Å; T229-N232 WeakPolarHBondContact O-CB 3.39Å; T229-N232 PolarHBondContact O-N 2.83Å; T229-D233 VanDerWaalsContact O-CG 3.24Å; T229-D233 PolarHBondContact O-N 2.97Å
230	G	98.4	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.5	-49.6	174.2	0	0	0	0	0	112.9	W179 Q226 T227 L228 N232 D233 Y234	W179-G230 WeakPolarHBondContact O-CA 3.34Å; Q226-G230 PolarHBondContact O-N 3.14Å; T227-G230 PolarHBondContact O-N 3.01Å; T227-G230 VanDerWaalsContact O-N 3.1Å; L228-G230 VanDerWaalsContact C-N 3.33Å; G230-N232 PolarHBondContact O-N 2.64Å; G230-D233 PolarHBondContact O-N 2.92Å; G230-Y234 VanDerWaalsContact O-CD2 3.3Å; G230-Y234 WeakPolarHBondContact O-CD2 3.45Å; G230-Y234 PolarHBondContact O-N 2.85Å
231	Y	98.6	Very high	98.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-41.9	176.2	-70.3	-84.1	0	0	0	112.7	V203 S205 T227 L228 T229 D233 Y234 I235 L244 M246 G247 Y339 L345	V203-Y231 HydrophobicContact CB-CE1 3.81Å; V203-Y231 WeakPolarHBondContact CB-OH 3.17Å; V203-Y231 HydrophobicContact CG1-CE1 4.12Å; V203-Y231 HydrophobicContact CG1-CE2 4.48Å; V203-Y231 HydrophobicContact CG2-CE1 3.88Å; V203-Y231 PolarHBondContact O-OH 3.46Å; S205-Y231 PolarHBondContact OG-OH 3.42Å; T227-Y231 HydrophobicContact CG2-CD2 4.23Å; T227-Y231 HydrophobicContact CG2-CE2 3.79Å; T227-Y231 WeakPolarHBondContact O-CD2 3.4Å; T227-Y231 PolarHBondContact O-N 3.38Å; L228-Y231 PolarHBondContact O-N 2.82Å; T229-Y231 PolarHBondContact O-N 2.71Å; Y231-D233 PolarHBondContact O-N 3.43Å; Y231-Y234 PolarHBondContact O-N 3.32Å; Y231-I235 VanDerWaalsContact O-CG1 3.29Å; Y231-I235 WeakPolarHBondContact O-CG1 3.39Å; Y231-I235 PolarHBondContact O-N 3.07Å; Y231-L244 HydrophobicContact CD1-CD1 4.33Å; Y231-M246 HydrophobicContact CD2-CE 3.77Å; Y231-M246 HydrophobicContact CE1-CB 4.04Å; Y231-M246 HydrophobicContact CE1-CE 4.43Å; Y231-M246 HydrophobicContact CE1-CG 4.42Å; Y231-M246 HydrophobicContact CE2-CB 4.47Å; Y231-M246 HydrophobicContact CE2-CE 3.6Å; Y231-M246 HydrophobicContact CE2-CG 3.97Å; Y231-M246 HydrophobicContact CE2-SD 4.5Å; Y231-M246 HydrophobicContact CG-CE 4.34Å; Y231-M246 WeakPolarHBondContact OH-CA 3.35Å; Y231-M246 WeakPolarHBondContact OH-CB 3.27Å; Y231-M246 WeakPolarHBondContact OH-CG 3.37Å; Y231-G247 PolarHBondContact OH-N 2.99Å; Y231-Y339 HydrophobicContact CG-CE1 4.12Å; Y231-L345 HydrophobicContact CD1-CD1 3.59Å; Y231-L345 HydrophobicContact CE1-CD1 3.86Å; Y231-L345 HydrophobicContact CG-CD1 4.25Å
232	N	98.6	Very high	98.3	Very high	48 Å²	48	46.5 Å²	46.5	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-37.7	175.4	-73.4	-34.7	0	0	0	111.6	L228 T229 G230 K236 Y339	L228-N232 VanDerWaalsContact O-CG 3.26Å; L228-N232 PolarHBondContact O-N 3.29Å; L228-N232 PolarHBondContact O-ND2 3.24Å; L228-N232 VanDerWaalsContact O-ND2 3.14Å; T229-N232 WeakPolarHBondContact O-CB 3.39Å; T229-N232 PolarHBondContact O-N 2.83Å; G230-N232 PolarHBondContact O-N 2.64Å; N232-K236 WeakPolarHBondContact O-CB 3.5Å; N232-K236 WeakPolarHBondContact O-CG 3.43Å; N232-K236 PolarHBondContact O-N 3.34Å; N232-Y339 PolarHBondContact OD1-OH 3.03Å
233	D	98.6	Very high	98.3	Very high	16 Å²	16	48.6 Å²	48.6	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-70.8	-41.3	178.3	-67.8	-30.6	0	0	0	111.8	P181 K182 T229 G230 Y231 I235 K236 M237	P181-D233 HydrophobicContact CG-CB 3.75Å; K182-D233 VanDerWaalsContact CE-CG 3.5Å; K182-D233 WeakPolarHBondContact CE-OD2 3.38Å; K182-D233 VanDerWaalsContact NZ-CG 3.31Å; K182-D233 IonicContact NZ-OD1 2.92Å; K182-D233 PolarHBondContact NZ-OD1 2.55Å; K182-D233 IonicContact NZ-OD2 2.69Å; K182-D233 PolarHBondContact NZ-OD2 2.89Å; T229-D233 VanDerWaalsContact O-CG 3.24Å; T229-D233 PolarHBondContact O-N 2.97Å; G230-D233 PolarHBondContact O-N 2.92Å; Y231-D233 PolarHBondContact O-N 3.43Å; D233-I235 VanDerWaalsContact C-N 3.34Å; D233-I235 PolarHBondContact O-N 2.65Å; D233-K236 PolarHBondContact O-N 3.43Å; D233-K236 IonicContact OD1-NZ 3.57Å; D233-M237 WeakPolarHBondContact O-CG 3.37Å; D233-M237 PolarHBondContact O-N 2.88Å
234	Y	98.6	Very high	98.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-44.5	171.4	-82.4	-64.7	0	0	0	112	V177 A178 P181 Y191 V203 G230 Y231 K236 M237 I239	V177-Y234 WeakPolarHBondContact CB-OH 3.36Å; V177-Y234 HydrophobicContact CG2-CE1 4.26Å; V177-Y234 HydrophobicContact CG2-CE2 4.34Å; V177-Y234 WeakPolarHBondContact CG2-OH 3.42Å; A178-Y234 WeakPolarHBondContact O-CE2 3.48Å; A178-Y234 PolarHBondContact O-OH 2.88Å; P181-Y234 HydrophobicContact CB-CD1 3.79Å; P181-Y234 HydrophobicContact CB-CE1 3.56Å; P181-Y234 HydrophobicContact CB-CE2 4.46Å; P181-Y234 HydrophobicContact CB-CG 4.37Å; P181-Y234 HydrophobicContact CG-CD1 3.92Å; P181-Y234 HydrophobicContact CG-CD2 4.2Å; P181-Y234 HydrophobicContact CG-CE1 4.07Å; P181-Y234 HydrophobicContact CG-CE2 4.3Å; P181-Y234 HydrophobicContact CG-CG 4Å; Y191-Y234 AromaticContact CD1-CE1 3.74Å; Y191-Y234 HydrophobicContact CD1-CE1 3.74Å; Y191-Y234 HydrophobicContact CE1-CE1 4.2Å; Y191-Y234 AromaticContact CG-CE1 3.89Å; Y191-Y234 HydrophobicContact CG-CE1 3.89Å; V203-Y234 HydrophobicContact CG1-CD2 4.34Å; V203-Y234 HydrophobicContact CG1-CE2 3.79Å; V203-Y234 HydrophobicContact CG2-CD2 4.22Å; V203-Y234 HydrophobicContact CG2-CE2 4.06Å; G230-Y234 VanDerWaalsContact O-CD2 3.3Å; G230-Y234 WeakPolarHBondContact O-CD2 3.45Å; G230-Y234 PolarHBondContact O-N 2.85Å; Y231-Y234 PolarHBondContact O-N 3.32Å; Y234-K236 PolarHBondContact O-N 2.8Å; Y234-M237 WeakPolarHBondContact O-CB 3.23Å; Y234-M237 PolarHBondContact O-N 2.74Å; Y234-I239 HydrophobicContact CD1-CD1 3.8Å; Y234-I239 WeakPolarHBondContact O-CB 3.39Å; Y234-I239 PolarHBondContact O-N 2.8Å
235	I	98.5	Very high	98.4	Very high	44 Å²	44	45.2 Å²	45.2	23%	0.226	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-38.5	178.4	-67	166.8	0	0	0	111.1	Y231 D233 M237 S238 P241 L244 L345	Y231-I235 VanDerWaalsContact O-CG1 3.29Å; Y231-I235 WeakPolarHBondContact O-CG1 3.39Å; Y231-I235 PolarHBondContact O-N 3.07Å; D233-I235 VanDerWaalsContact C-N 3.34Å; D233-I235 PolarHBondContact O-N 2.65Å; I235-M237 PolarHBondContact O-N 3.19Å; I235-S238 WeakPolarHBondContact O-CA 3.41Å; I235-S238 PolarHBondContact O-N 3.11Å; I235-P241 HydrophobicContact CD1-CG 4.11Å; I235-P241 HydrophobicContact CG1-CG 4.17Å; I235-L244 HydrophobicContact CG1-CD1 3.98Å; I235-L345 HydrophobicContact CD1-CD2 4.31Å
236	K	98.3	Very high	98.4	Very high	152 Å²	152	40.6 Å²	40.6	66%	0.661	21%	0.212	S	C	*	.	H	α-helix	trans	-63.7	-23.9	175.3	-76.8	167.8	-169.3	166.5	0	113.1	N232 D233 Y234 S238	N232-K236 WeakPolarHBondContact O-CB 3.5Å; N232-K236 WeakPolarHBondContact O-CG 3.43Å; N232-K236 PolarHBondContact O-N 3.34Å; D233-K236 PolarHBondContact O-N 3.43Å; D233-K236 IonicContact OD1-NZ 3.57Å; Y234-K236 PolarHBondContact O-N 2.8Å; K236-S238 PolarHBondContact O-N 3.16Å
237	M	97.7	Very high	98.4	Very high	70 Å²	70	38 Å²	38	35%	0.345	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	6.2	169.5	-62.4	174.8	70.2	0	0	113.1	P181 Y191 T192 D233 Y234 I235 I239	P181-M237 HydrophobicContact CB-SD 3.45Å; P181-M237 WeakPolarHBondContact CB-SD 3.37Å; P181-M237 HydrophobicContact CG-SD 3.85Å; Y191-M237 HydrophobicContact CD2-CE 4.18Å; T192-M237 HydrophobicContact CG2-CB 4Å; T192-M237 HydrophobicContact CG2-CE 4.35Å; T192-M237 WeakPolarHBondContact CG2-O 3.39Å; D233-M237 WeakPolarHBondContact O-CG 3.37Å; D233-M237 PolarHBondContact O-N 2.88Å; Y234-M237 WeakPolarHBondContact O-CB 3.23Å; Y234-M237 PolarHBondContact O-N 2.74Å; I235-M237 PolarHBondContact O-N 3.19Å; M237-I239 VanDerWaalsContact C-N 3.3Å; M237-I239 HydrophobicContact CB-CG1 4.48Å
238	S	98.1	Very high	98.4	Very high	113 Å²	113	38 Å²	38	79%	0.79	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	18.8	-175.8	-48.8	0	0	0	0	114.7	I235 K236 N240	I235-S238 WeakPolarHBondContact O-CA 3.41Å; I235-S238 PolarHBondContact O-N 3.11Å; K236-S238 PolarHBondContact O-N 3.16Å; S238-N240 PolarHBondContact O-N 3.27Å
239	I	98.7	Very high	98.5	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.036	20%	0.196	C	C	.	.			trans	-72.6	124.9	169.7	-59	179.2	0	0	0	108.5	T192 A195 L201 Y234 M237 K243 L244	T192-I239 HydrophobicContact CG2-CD1 4.44Å; T192-I239 HydrophobicContact CG2-CG1 3.92Å; A195-I239 HydrophobicContact CB-CD1 4.11Å; A195-I239 HydrophobicContact CB-CG1 4.22Å; A195-I239 HydrophobicContact CB-CG2 3.85Å; L201-I239 HydrophobicContact CD1-CD1 4.15Å; Y234-I239 HydrophobicContact CD1-CD1 3.8Å; Y234-I239 WeakPolarHBondContact O-CB 3.39Å; Y234-I239 PolarHBondContact O-N 2.8Å; M237-I239 VanDerWaalsContact C-N 3.3Å; M237-I239 HydrophobicContact CB-CG1 4.48Å; I239-K243 HydrophobicContact CG2-CB 4.06Å; I239-L244 HydrophobicContact CG2-CD2 3.88Å; I239-L244 HydrophobicContact CG2-CG 4.18Å
240	N	98.4	Very high	98.5	Very high	94 Å²	94	34.1 Å²	34.1	50%	0.503	18%	0.177	S	C	.	.			trans	-61.6	128.4	178.3	-176.8	-26.1	0	0	0	110.1	S238 K242 K243	S238-N240 PolarHBondContact O-N 3.27Å; N240-K242 PolarHBondContact O-N 3.34Å; N240-K242 WeakPolarHBondContact OD1-CB 3.33Å; N240-K242 PolarHBondContact OD1-N 3.38Å; N240-K243 HydrophobicContact CB-CG 4.04Å; N240-K243 WeakPolarHBondContact O-CA 3.3Å; N240-K243 VanDerWaalsContact O-CB 3.23Å; N240-K243 WeakPolarHBondContact O-CB 3.31Å; N240-K243 PolarHBondContact O-N 3.22Å
241	P	98.3	Very high	98.5	Very high	30 Å²	30	34.2 Å²	34.2	20%	0.195	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-47.2	-33.8	174.3	-32.6	37.4	0	0	0	114.9	I235 K243 L244 Y343 L345 R346	I235-P241 HydrophobicContact CD1-CG 4.11Å; I235-P241 HydrophobicContact CG1-CG 4.17Å; P241-K243 PolarHBondContact O-N 2.93Å; P241-K243 VanDerWaalsContact O-N 3.07Å; P241-L244 PolarHBondContact O-N 3.29Å; P241-Y343 VanDerWaalsContact CB-O 3.23Å; P241-Y343 WeakPolarHBondContact CB-O 3.01Å; P241-L345 HydrophobicContact CB-CD2 3.87Å; P241-L345 WeakPolarHBondContact O-CA 3.15Å; P241-R346 PolarHBondContact O-N 2.91Å
242	K	97.9	Very high	98.5	Very high	99 Å²	99	34.2 Å²	34.2	43%	0.43	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-69.8	1.6	176.2	-66.2	-66.1	178.5	-167.9	0	115	N240 G344 R346	N240-K242 PolarHBondContact O-N 3.34Å; N240-K242 WeakPolarHBondContact OD1-CB 3.33Å; N240-K242 PolarHBondContact OD1-N 3.38Å; K242-G344 VanDerWaalsContact CD-O 3.29Å; K242-G344 WeakPolarHBondContact CD-O 3.47Å; K242-G344 WeakPolarHBondContact CE-O 3.12Å; K242-G344 PolarHBondContact NZ-O 2.94Å; K242-R346 WeakPolarHBondContact O-CB 3.43Å; K242-R346 WeakPolarHBondContact O-CD 3.43Å
243	K	98.4	Very high	98.5	Very high	43 Å²	43	32.9 Å²	32.9	19%	0.187	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-106.1	1.9	171.7	-58.1	-70.3	-67.9	-170.6	0	112.6	A195 C198 D199 F200 L201 I239 N240 P241	A195-K243 WeakPolarHBondContact O-CE 3.23Å; A195-K243 PolarHBondContact O-NZ 2.75Å; C198-K243 PolarHBondContact O-NZ 3.19Å; D199-K243 WeakPolarHBondContact O-CD 3.48Å; D199-K243 VanDerWaalsContact O-CE 3.28Å; D199-K243 WeakPolarHBondContact O-CE 3.26Å; D199-K243 PolarHBondContact O-NZ 2.76Å; F200-K243 CarbonylContact C-O 3.58Å; F200-K243 WeakPolarHBondContact CA-O 3.28Å; F200-K243 WeakPolarHBondContact CB-O 3.28Å; L201-K243 PolarHBondContact N-O 3.22Å; I239-K243 HydrophobicContact CG2-CB 4.06Å; N240-K243 HydrophobicContact CB-CG 4.04Å; N240-K243 WeakPolarHBondContact O-CA 3.3Å; N240-K243 VanDerWaalsContact O-CB 3.23Å; N240-K243 WeakPolarHBondContact O-CB 3.31Å; N240-K243 PolarHBondContact O-N 3.22Å; P241-K243 PolarHBondContact O-N 2.93Å; P241-K243 VanDerWaalsContact O-N 3.07Å
244	L	98.8	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.4	-176.3	-57.9	176.5	0	0	0	109.9	L201 V203 Y231 I235 I239 P241 L345 R346	L201-L244 HydrophobicContact CB-CD2 4.19Å; L201-L244 HydrophobicContact CD1-CD2 4.04Å; L201-L244 HydrophobicContact CG-CD2 4.49Å; V203-L244 HydrophobicContact CG2-CD2 4.01Å; Y231-L244 HydrophobicContact CD1-CD1 4.33Å; I235-L244 HydrophobicContact CG1-CD1 3.98Å; I239-L244 HydrophobicContact CG2-CD2 3.88Å; I239-L244 HydrophobicContact CG2-CG 4.18Å; P241-L244 PolarHBondContact O-N 3.29Å; L244-L345 HydrophobicContact CB-CD2 4.36Å; L244-L345 HydrophobicContact CD1-CD2 4.44Å; L244-L345 WeakPolarHBondContact O-CB 3.24Å; L244-R346 VanDerWaalsContact O-CB 3.26Å; L244-R346 WeakPolarHBondContact O-CB 3.37Å; L244-R346 PolarHBondContact O-N 3.2Å
245	V	98.8	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.6	166.4	172.3	0	0	0	0	108.2	E56 F58 F200 L201 F202 V203 R346	E56-V245 HydrophobicContact CB-CG2 4.06Å; E56-V245 HydrophobicContact CG-CG2 4.3Å; F58-V245 HydrophobicContact CB-CG1 4.08Å; F200-V245 HydrophobicContact CD2-CB 4.1Å; F200-V245 HydrophobicContact CD2-CG2 3.43Å; F200-V245 VanDerWaalsContact CD2-CG2 3.43Å; F200-V245 HydrophobicContact CE2-CB 4.25Å; F200-V245 HydrophobicContact CE2-CG2 3.59Å; F200-V245 HydrophobicContact CG-CG2 3.97Å; F200-V245 HydrophobicContact CZ-CG2 4.22Å; L201-V245 PolarHBondContact O-N 3.01Å; F202-V245 HydrophobicContact CD2-CB 4.16Å; F202-V245 HydrophobicContact CD2-CG1 3.64Å; F202-V245 HydrophobicContact CE2-CG1 3.91Å; V203-V245 PolarHBondContact N-O 3.41Å; V245-R346 HydrophobicContact CG2-CB 3.89Å; V245-R346 HydrophobicContact CG2-CG 3.93Å
246	M	98.8	Very high	98.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.7	-177.8	175	-179.7	-72.1	0	0	112.3	L228 Y231 V248 K336 Y339 I340 L345 G347 I348 G349	L228-M246 HydrophobicContact CD2-CE 4.2Å; Y231-M246 HydrophobicContact CD2-CE 3.77Å; Y231-M246 HydrophobicContact CE1-CB 4.04Å; Y231-M246 HydrophobicContact CE1-CE 4.43Å; Y231-M246 HydrophobicContact CE1-CG 4.42Å; Y231-M246 HydrophobicContact CE2-CB 4.47Å; Y231-M246 HydrophobicContact CE2-CE 3.6Å; Y231-M246 HydrophobicContact CE2-CG 3.97Å; Y231-M246 HydrophobicContact CE2-SD 4.5Å; Y231-M246 HydrophobicContact CG-CE 4.34Å; Y231-M246 WeakPolarHBondContact OH-CA 3.35Å; Y231-M246 WeakPolarHBondContact OH-CB 3.27Å; Y231-M246 WeakPolarHBondContact OH-CG 3.37Å; M246-V248 HydrophobicContact CG-CG1 4.29Å; M246-K336 HydrophobicContact SD-CB 3.86Å; M246-Y339 HydrophobicContact CE-CD1 3.93Å; M246-I340 HydrophobicContact CB-CD1 3.82Å; M246-I340 HydrophobicContact CB-CG1 4.1Å; M246-I340 HydrophobicContact CE-CG1 3.9Å; M246-I340 HydrophobicContact CG-CD1 4.28Å; M246-I340 HydrophobicContact SD-CD1 3.75Å; M246-I340 HydrophobicContact SD-CG1 3.77Å; M246-L345 HydrophobicContact CB-CD1 4.31Å; M246-L345 HydrophobicContact CE-CD1 4.11Å; M246-G347 PolarHBondContact N-O 2.96Å; M246-I348 HydrophobicContact CB-CG1 4.48Å; M246-I348 CarbonylContact O-C 3.54Å; M246-I348 WeakPolarHBondContact O-CA 3.49Å; M246-I348 WeakPolarHBondContact O-CG1 3.36Å; M246-G349 PolarHBondContact O-N 2.61Å
247	G	98.7	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.1	174.7	0	0	0	0	0	112.7	V203 S205 Y231 G349	V203-G247 VanDerWaalsContact O-CA 3.25Å; V203-G247 WeakPolarHBondContact O-CA 3.08Å; V203-G247 PolarHBondContact O-N 2.84Å; S205-G247 PolarHBondContact OG-O 3.32Å; Y231-G247 PolarHBondContact OH-N 2.99Å; G247-G349 CarbonylContact C-O 3.57Å; G247-G349 WeakPolarHBondContact CA-O 3.25Å
248	V	98.7	Very high	98.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.7	174.7	-61.8	0	0	0	0	111.5	M246 I333 I348 G349 M350 W351 L375	M246-V248 HydrophobicContact CG-CG1 4.29Å; V248-I333 HydrophobicContact CB-CG1 4.5Å; V248-I333 HydrophobicContact CG2-CD1 4.29Å; V248-I333 HydrophobicContact CG2-CG2 4.43Å; V248-I348 HydrophobicContact CG1-CD1 4.1Å; V248-I348 HydrophobicContact CG1-CG1 4.31Å; V248-I348 HydrophobicContact CG2-CD1 4.37Å; V248-I348 HydrophobicContact CG2-CG1 4.44Å; V248-G349 WeakPolarHBondContact CG2-O 3.41Å; V248-G349 PolarHBondContact N-O 3.48Å; V248-M350 HydrophobicContact CG2-CB 4.01Å; V248-M350 WeakPolarHBondContact O-CA 3.46Å; V248-M350 WeakPolarHBondContact O-CB 3.21Å; V248-W351 PolarHBondContact O-N 2.93Å; V248-W351 VanDerWaalsContact O-N 3.11Å; V248-L375 HydrophobicContact CG2-CD2 4.17Å
249	P	98.6	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.5	178.1	30.4	-30.3	0	0	0	110.9	Y206 N221 A222 Y251 D328	Y206-P249 HydrophobicContact CD1-CB 4.47Å; Y206-P249 HydrophobicContact CG-CB 4.34Å; N221-P249 VanDerWaalsContact ND2-CB 3.26Å; N221-P249 WeakPolarHBondContact ND2-CB 3.43Å; A222-P249 HydrophobicContact CB-CG 4.01Å; P249-Y251 HydrophobicContact CB-CD1 3.78Å; P249-Y251 HydrophobicContact CB-CE1 3.53Å; P249-Y251 HydrophobicContact CB-CG 4.36Å; P249-D328 HydrophobicContact CG-CB 4.26Å; P249-D328 WeakPolarHBondContact CG-OD2 3.15Å
250	W	98.8	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-97.7	29.2	164.4	-74.9	5.7	0	0	0	111.6	Y288 M350 W351 A353 C355 L356 M371 W372 L375	W250-Y288 WeakPolarHBondContact O-CB 3.45Å; W250-Y288 PolarHBondContact O-N 2.88Å; W250-Y288 VanDerWaalsContact O-N 3.08Å; W250-M350 HydrophobicContact CD2-CB 3.93Å; W250-M350 HydrophobicContact CD2-CG 3.43Å; W250-M350 VanDerWaalsContact CD2-CG 3.43Å; W250-M350 HydrophobicContact CE3-CG 3.61Å; W250-M350 HydrophobicContact CG-CB 4Å; W250-M350 HydrophobicContact CG-CG 3.98Å; W250-M350 HydrophobicContact CH2-CG 3.95Å; W250-M350 HydrophobicContact CH2-SD 4.48Å; W250-M350 HydrophobicContact CZ2-CB 4.42Å; W250-M350 HydrophobicContact CZ2-CG 3.83Å; W250-M350 HydrophobicContact CZ3-CG 3.85Å; W250-W351 PolarHBondContact N-O 2.91Å; W250-A353 HydrophobicContact CE3-CB 4.48Å; W250-A353 HydrophobicContact CZ3-CB 4.01Å; W250-C355 HydrophobicContact CB-CB 3.96Å; W250-C355 WeakPolarHBondContact O-CB 3.31Å; W250-L356 HydrophobicContact CD2-CD1 4.21Å; W250-L356 HydrophobicContact CD2-CD2 4.15Å; W250-L356 HydrophobicContact CD2-CG 4.16Å; W250-L356 HydrophobicContact CE3-CD1 3.56Å; W250-L356 HydrophobicContact CE3-CD2 3.97Å; W250-L356 HydrophobicContact CE3-CG 3.48Å; W250-L356 VanDerWaalsContact CE3-CG 3.48Å; W250-L356 HydrophobicContact CG-CD2 4.45Å; W250-L356 HydrophobicContact CH2-CD1 3.67Å; W250-L356 HydrophobicContact CZ2-CD1 4.26Å; W250-L356 HydrophobicContact CZ3-CD1 3.27Å; W250-L356 HydrophobicContact CZ3-CG 3.7Å; W250-M371 HydrophobicContact CD2-CE 4.36Å; W250-M371 HydrophobicContact CG-CE 3.89Å; W250-M371 HydrophobicContact CZ2-CB 4.34Å; W250-W372 AromaticContact CH2-CD2 3.62Å; W250-W372 HydrophobicContact CH2-CD2 3.62Å; W250-W372 AromaticContact CH2-CE2 3.52Å; W250-W372 AromaticContact CH2-CE3 3.79Å; W250-W372 HydrophobicContact CH2-CE3 3.79Å; W250-W372 HydrophobicContact CH2-CG 4.22Å; W250-W372 AromaticContact CH2-CH2 3.86Å; W250-W372 HydrophobicContact CH2-CH2 3.86Å; W250-W372 AromaticContact CH2-CZ2 3.66Å; W250-W372 HydrophobicContact CH2-CZ2 3.66Å; W250-W372 AromaticContact CH2-CZ3 3.92Å; W250-W372 HydrophobicContact CH2-CZ3 3.92Å; W250-W372 HydrophobicContact CZ2-CD2 4.44Å; W250-W372 HydrophobicContact CZ2-CE3 4.46Å; W250-W372 HydrophobicContact CZ3-CD2 4.49Å; W250-W372 AromaticContact CZ3-CE2 3.95Å; W250-W372 HydrophobicContact CZ3-CH2 4.22Å; W250-W372 AromaticContact CZ3-CZ2 3.81Å; W250-W372 HydrophobicContact CZ3-CZ2 3.81Å; W250-L375 HydrophobicContact CH2-CD1 4.33Å; W250-L375 HydrophobicContact CZ2-CD1 3.8Å; W250-L375 HydrophobicContact CZ2-CD2 4.4Å; W250-L375 HydrophobicContact CZ2-CG 4.27Å
251	Y	98.9	Very high	98.4	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	169.7	178	67.1	-85.4	0	0	0	108.9	Y206 D207 N221 P249 Y253 Q285 V286 W351	Y206-Y251 HydrophobicContact CD2-CE1 4.49Å; Y206-Y251 WeakPolarHBondContact CD2-OH 3.47Å; Y206-Y251 HydrophobicContact CG-CE1 4.46Å; D207-Y251 WeakPolarHBondContact OD1-CE2 3.22Å; D207-Y251 PolarHBondContact OD1-OH 2.91Å; D207-Y251 PolarHBondContact OD2-OH 3.19Å; D207-Y251 VanDerWaalsContact OD2-OH 3.1Å; N221-Y251 WeakPolarHBondContact ND2-CE2 3.42Å; P249-Y251 HydrophobicContact CB-CD1 3.78Å; P249-Y251 HydrophobicContact CB-CE1 3.53Å; P249-Y251 HydrophobicContact CB-CG 4.36Å; Y251-Y253 HydrophobicContact CD2-CE2 4.42Å; Y251-Y253 HydrophobicContact CE2-CD2 4.37Å; Y251-Y253 AromaticContact CE2-CE2 3.78Å; Y251-Y253 HydrophobicContact CE2-CE2 3.78Å; Y251-Q285 HydrophobicContact CD2-CG 3.14Å; Y251-Q285 HydrophobicContact CE2-CG 3.53Å; Y251-Q285 HydrophobicContact CG-CG 3.86Å; Y251-Q285 VanDerWaalsContact CZ-NE2 3.28Å; Y251-V286 WeakPolarHBondContact CA-O 2.99Å; Y251-V286 WeakPolarHBondContact CB-O 3.02Å; Y251-W351 AromaticContact CD1-CD1 3.92Å; Y251-W351 VanDerWaalsContact CD1-O 3.23Å; Y251-W351 WeakPolarHBondContact CD1-O 3.45Å; Y251-W351 HydrophobicContact CE1-CB 4.35Å; Y251-W351 AromaticContact CE1-CD1 3.49Å; Y251-W351 VanDerWaalsContact CE1-CD1 3.49Å; Y251-W351 HydrophobicContact CE1-CG 4.29Å; Y251-W351 WeakPolarHBondContact CE1-O 3.31Å
252	G	98.8	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	-172.3	175.1	0	0	0	0	0	111.8	Q285 V286 W326	G252-Q285 CarbonylContact O-C 3.53Å; G252-Q285 WeakPolarHBondContact O-CA 3.4Å; G252-V286 PolarHBondContact N-O 3.34Å; G252-V286 PolarHBondContact O-N 2.79Å; G252-W326 CarbonylContact C-O 3.46Å; G252-W326 WeakPolarHBondContact CA-O 3.41Å
253	Y	98.9	Very high	97.7	Very high	20 Å²	20	36.8 Å²	36.8	8%	0.078	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.4	173.2	-82.8	-100.6	0	0	0	110.8	D207 N221 Y251 Y255 D280 R284 V325 W326	D207-Y253 VanDerWaalsContact OD1-CE2 3.28Å; D207-Y253 WeakPolarHBondContact OD1-CE2 3.43Å; D207-Y253 PolarHBondContact OD1-OH 3.4Å; D207-Y253 VanDerWaalsContact OD1-OH 3.1Å; N221-Y253 HydrophobicContact CB-CD2 4.25Å; N221-Y253 WeakPolarHBondContact OD1-CE2 3.43Å; Y251-Y253 HydrophobicContact CD2-CE2 4.42Å; Y251-Y253 HydrophobicContact CE2-CD2 4.37Å; Y251-Y253 AromaticContact CE2-CE2 3.78Å; Y251-Y253 HydrophobicContact CE2-CE2 3.78Å; Y253-Y255 HydrophobicContact CG-CE2 4.23Å; Y253-D280 HydrophobicContact CD1-CB 4.1Å; Y253-D280 WeakPolarHBondContact CD1-O 3.2Å; Y253-D280 HydrophobicContact CE1-CB 3.7Å; Y253-D280 WeakPolarHBondContact CE1-O 3.36Å; Y253-D280 HydrophobicContact CE2-CB 4.41Å; Y253-R284 WeakPolarHBondContact CA-O 3.4Å; Y253-V325 CarbonylContact O-C 3.56Å; Y253-V325 VanDerWaalsContact O-CA 3.25Å; Y253-V325 WeakPolarHBondContact O-CA 3.32Å; Y253-W326 PolarHBondContact N-O 2.96Å; Y253-W326 PolarHBondContact O-N 2.9Å
254	D	98.8	Very high	97.5	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.032	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	106.6	172.8	169.1	14.9	0	0	0	108.6	G283 R284 V286 Y315 H323 V325	D254-G283 CarbonylContact O-C 3.57Å; D254-G283 VanDerWaalsContact O-CA 3.29Å; D254-G283 WeakPolarHBondContact O-CA 3.26Å; D254-R284 PolarHBondContact N-O 3.47Å; D254-R284 PolarHBondContact O-N 3.41Å; D254-R284 IonicContact OD2-CZ 3.55Å; D254-R284 IonicContact OD2-NE 2.73Å; D254-R284 IonicContact OD2-NH2 2.71Å; D254-R284 PolarHBondContact OD2-NH2 3.36Å; D254-V286 HydrophobicContact CB-CG2 3.49Å; D254-V286 VanDerWaalsContact CB-CG2 3.49Å; D254-Y315 PolarHBondContact OD1-OH 2.79Å; D254-Y315 PolarHBondContact OD2-OH 2.93Å; D254-Y315 VanDerWaalsContact OD2-OH 3.11Å; D254-H323 IonicContact OD1-CE1 3.26Å; D254-H323 IonicContact OD1-CG 2.61Å; D254-H323 IonicContact OD1-ND1 3.47Å; D254-H323 PolarHBondContact OD1-ND1 3.31Å; D254-V325 HydrophobicContact CB-CG2 3.99Å
255	Y	98.8	Very high	97.4	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.8	-178.4	-65.6	-83.2	0	0	0	110.8	A218 Y253 C257 I268 D280 G283 H323 Q324	A218-Y255 HydrophobicContact CB-CD1 4.4Å; A218-Y255 HydrophobicContact CB-CD2 3.49Å; A218-Y255 VanDerWaalsContact CB-CD2 3.49Å; A218-Y255 HydrophobicContact CB-CE2 4.1Å; A218-Y255 HydrophobicContact CB-CG 3.66Å; Y253-Y255 HydrophobicContact CG-CE2 4.23Å; Y255-C257 PolarHBondContact O-N 2.86Å; Y255-I268 HydrophobicContact CD1-CD1 4.31Å; Y255-I268 HydrophobicContact CD1-CG2 3.88Å; Y255-I268 HydrophobicContact CE1-CD1 4.26Å; Y255-I268 HydrophobicContact CG-CG2 4.1Å; Y255-D280 WeakPolarHBondContact OH-CA 3.48Å; Y255-D280 WeakPolarHBondContact OH-CB 3.27Å; Y255-G283 VanDerWaalsContact CD1-CA 3.43Å; Y255-H323 CarbonylContact O-C 3.56Å; Y255-H323 WeakPolarHBondContact O-CA 3.44Å; Y255-Q324 PolarHBondContact N-O 2.02Å; Y255-Q324 PolarHBondContact O-N 2.97Å
256	T	98.6	Very high	97.4	Very high	62 Å²	62	41.5 Å²	41.5	38%	0.38	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	122.7	165.3	-54.6	0	0	0	0	109.4	H321 H323	T256-H321 HydrophobicContact CG2-CB 4.06Å; T256-H323 PolarHBondContact OG1-CE1 2.86Å
257	C	98.5	Very high	97.4	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.081	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-82.1	125.5	178.5	-52.5	0	0	0	0	110.9	Y255 N259 L260 C266 T267 F322	Y255-C257 PolarHBondContact O-N 2.86Å; C257-N259 VanDerWaalsContact C-N 3.34Å; C257-L260 HydrophobicContact CB-CB 4.37Å; C257-C266 WeakPolarHBondContact CA-SG 3.42Å; C257-C266 HydrophobicContact CB-CB 4.06Å; C257-C266 WeakPolarHBondContact CB-SG 3.38Å; C257-C266 WeakPolarHBondContact SG-CB 3.38Å; C257-C266 CovalentContact SG-SG 2.03Å; C257-C266 PolarHBondContact SG-SG 3.14Å; C257-T267 CarbonylContact C-O 3.54Å; C257-T267 WeakPolarHBondContact CA-O 3.39Å; C257-F322 HydrophobicContact CB-CB 4.13Å; C257-F322 PolarHBondContact N-O 2.73Å
258	L	98.2	Very high	97.4	Very high	127 Å²	127	43.9 Å²	43.9	67%	0.665	23%	0.233	S	C	*	.	S	Bend	trans	-68.2	-39.7	165.6	-62.4	-178.3	0	0	0	110.6	T267	L258-T267 PolarHBondContact N-O 2.73Å
259	N	97.6	Very high	97.3	Very high	97 Å²	97	45.9 Å²	45.9	52%	0.519	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138.1	170.2	-176.1	57.4	0	0	0	109.1	C257 C266 T267	C257-N259 VanDerWaalsContact C-N 3.34Å; N259-C266 WeakPolarHBondContact O-CA 3.14Å; N259-T267 WeakPolarHBondContact CB-OG1 3.31Å; N259-T267 PolarHBondContact N-OG1 2.85Å; N259-T267 VanDerWaalsContact N-OG1 3.08Å; N259-T267 PolarHBondContact O-N 2.02Å; N259-T267 PolarHBondContact O-OG1 2.9Å
260	L	97.6	Very high	97.3	Very high	37 Å²	37	53.8 Å²	53.8	19%	0.194	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.9	170.1	-178.8	64.4	0	0	0	107.5	C257 V265 C266 N314 F322	C257-L260 HydrophobicContact CB-CB 4.37Å; L260-V265 WeakPolarHBondContact CA-O 3.23Å; L260-C266 HydrophobicContact CD1-CB 4.19Å; L260-N314 HydrophobicContact CD2-CB 4.22Å; L260-F322 HydrophobicContact CB-CB 4.24Å; L260-F322 HydrophobicContact CB-CG 4.4Å; L260-F322 HydrophobicContact CD2-CB 4.22Å; L260-F322 HydrophobicContact CD2-CD1 3.9Å; L260-F322 HydrophobicContact CD2-CG 4.13Å
261	S	95.8	Very high	97.3	Very high	35 Å²	35	56.1 Å²	56.1	25%	0.245	30%	0.298	C	S	.	.			trans	-72.5	166.8	178.5	73.9	0	0	0	0	112	D263 H264 V265	S261-D263 PolarHBondContact O-N 2.92Å; S261-D263 PolarHBondContact OG-N 2.69Å; S261-H264 PolarHBondContact O-N 3.16Å; S261-H264 PolarHBondContact OG-N 3.32Å; S261-V265 PolarHBondContact N-O 3.07Å; S261-V265 WeakPolarHBondContact OG-CB 3.34Å; S261-V265 PolarHBondContact OG-N 2.63Å
262	E	91.6	Very high	97.2	Very high	189 Å²	189	60.6 Å²	60.6	88%	0.883	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.8	171.4	-65.3	-176.2	175.3	0	0	111.8	H264	E262-H264 PolarHBondContact O-N 3.22Å; E262-H264 VanDerWaalsContact O-N 3.16Å
263	D	91.1	Very high	97.1	Very high	140 Å²	140	64.4 Å²	64.4	75%	0.749	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	15.6	173.5	-57.5	-46.3	0	0	0	113.3	S261 V265	S261-D263 PolarHBondContact O-N 2.92Å; S261-D263 PolarHBondContact OG-N 2.69Å; D263-V265 PolarHBondContact O-N 3Å
264	H	93.3	Very high	96.9	Very high	82 Å²	82	65.8 Å²	65.8	38%	0.38	35%	0.349	S	S	.	.			trans	61.4	24.1	178.3	-53.3	-52.5	0	0	0	115.4	S261 E262 Y312 Q324	S261-H264 PolarHBondContact O-N 3.16Å; S261-H264 PolarHBondContact OG-N 3.32Å; E262-H264 PolarHBondContact O-N 3.22Å; E262-H264 VanDerWaalsContact O-N 3.16Å; H264-Y312 HydrophobicContact CB-CE2 4.21Å; H264-Q324 PolarHBondContact O-NE2 3.18Å
265	V	97.1	Very high	96.6	Very high	59 Å²	59	67.7 Å²	67.7	36%	0.358	37%	0.371	S	S	.	.			trans	-83.1	118.8	173.6	-178.5	0	0	0	0	109.3	I217 L260 S261 D263	I217-V265 HydrophobicContact CB-CG1 4.23Å; I217-V265 HydrophobicContact CD1-CG1 4.43Å; I217-V265 HydrophobicContact CG2-CG1 3.71Å; L260-V265 WeakPolarHBondContact CA-O 3.23Å; S261-V265 PolarHBondContact N-O 3.07Å; S261-V265 WeakPolarHBondContact OG-CB 3.34Å; S261-V265 PolarHBondContact OG-N 2.63Å; D263-V265 PolarHBondContact O-N 3Å
266	C	98.3	Very high	96.5	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.007	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.2	177.7	177	0	0	0	0	109.8	I217 A218 C257 N259 L260 Q324	I217-C266 CarbonylContact C-O 3.48Å; I217-C266 VanDerWaalsContact CA-O 3.24Å; I217-C266 WeakPolarHBondContact CA-O 3.4Å; A218-C266 HydrophobicContact CB-CB 3.94Å; A218-C266 PolarHBondContact N-O 2.93Å; C257-C266 WeakPolarHBondContact CA-SG 3.42Å; C257-C266 HydrophobicContact CB-CB 4.06Å; C257-C266 WeakPolarHBondContact CB-SG 3.38Å; C257-C266 WeakPolarHBondContact SG-CB 3.38Å; C257-C266 CovalentContact SG-SG 2.03Å; C257-C266 PolarHBondContact SG-SG 3.14Å; N259-C266 WeakPolarHBondContact O-CA 3.14Å; L260-C266 HydrophobicContact CD1-CB 4.19Å; C266-Q324 HydrophobicContact CB-CB 3.7Å; C266-Q324 HydrophobicContact CB-CG 4.27Å
267	T	98.5	Very high	96.5	Very high	47 Å²	47	67.5 Å²	67.5	29%	0.288	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.5	171.5	61.1	0	0	0	0	110.1	I217 C257 L258 N259	I217-T267 HydrophobicContact CG2-CG2 4.28Å; C257-T267 CarbonylContact C-O 3.54Å; C257-T267 WeakPolarHBondContact CA-O 3.39Å; L258-T267 PolarHBondContact N-O 2.73Å; N259-T267 WeakPolarHBondContact CB-OG1 3.31Å; N259-T267 PolarHBondContact N-OG1 2.85Å; N259-T267 VanDerWaalsContact N-OG1 3.08Å; N259-T267 PolarHBondContact O-N 2.02Å; N259-T267 PolarHBondContact O-OG1 2.9Å
268	I	98.6	Very high	96.4	Very high	4 Å²	4	67 Å²	67	2%	0.021	37%	0.367	C	S	.	.			trans	-117.5	162.7	-173.7	58.2	167.9	0	0	0	111.8	I212 C216 A218 Y255 A282	I212-I268 HydrophobicContact CD1-CD1 3.96Å; C216-I268 VanDerWaalsContact C-CG1 3.42Å; C216-I268 HydrophobicContact CB-CG1 4.14Å; C216-I268 VanDerWaalsContact O-CG1 3.3Å; C216-I268 WeakPolarHBondContact O-CG1 3.11Å; C216-I268 PolarHBondContact O-N 3.3Å; A218-I268 HydrophobicContact CB-CG2 3.91Å; Y255-I268 HydrophobicContact CD1-CD1 4.31Å; Y255-I268 HydrophobicContact CD1-CG2 3.88Å; Y255-I268 HydrophobicContact CE1-CD1 4.26Å; Y255-I268 HydrophobicContact CG-CG2 4.1Å; I268-A282 HydrophobicContact CB-CB 4.14Å; I268-A282 HydrophobicContact CD1-CB 3.97Å; I268-A282 HydrophobicContact CG1-CB 4.4Å
269	A	98.1	Very high	96.4	Very high	43 Å²	43	60.9 Å²	60.9	36%	0.355	34%	0.335	S	S	.	.			trans	-61.3	146.1	175.4	0	0	0	0	0	111.8	V271 A282	A269-V271 HydrophobicContact CB-CG2 4.46Å; A269-V271 PolarHBondContact O-N 3.26Å; A269-V271 VanDerWaalsContact O-N 3.12Å; A269-A282 HydrophobicContact CB-CB 4.44Å; A269-A282 WeakPolarHBondContact O-CB 3.41Å
270	K	98.2	Very high	96.4	Very high	165 Å²	165	56.7 Å²	56.7	72%	0.717	31%	0.313	S	S	*	.			trans	-77.8	98	174.2	-60.7	-167.6	174.3	-179.7	0	110.2
271	V	98.3	Very high	96.4	Very high	49 Å²	49	57.7 Å²	57.7	30%	0.297	33%	0.326	S	S	.	.			trans	-111.6	104.8	172.8	-175.4	0	0	0	0	107.7	A269 C278 S279 A281 A282	A269-V271 HydrophobicContact CB-CG2 4.46Å; A269-V271 PolarHBondContact O-N 3.26Å; A269-V271 VanDerWaalsContact O-N 3.12Å; V271-C278 CarbonylContact O-C 3.36Å; V271-C278 VanDerWaalsContact O-CA 3.22Å; V271-C278 WeakPolarHBondContact O-CA 3.47Å; V271-S279 PolarHBondContact O-N 3.03Å; V271-S279 PolarHBondContact O-OG 3.31Å; V271-S279 VanDerWaalsContact O-OG 3.05Å; V271-A281 HydrophobicContact CG1-CB 3.8Å; V271-A282 HydrophobicContact CB-CB 4.41Å; V271-A282 HydrophobicContact CG2-CB 3.9Å
272	P	97.3	Very high	96.6	Very high	97 Å²	97	57.1 Å²	57.1	63%	0.63	32%	0.324	S	S	*	.			trans	-74.7	141.6	-176.9	29.5	-34	0	0	0	111	A276	P272-A276 WeakPolarHBondContact CA-O 3.42Å; P272-A276 WeakPolarHBondContact CB-O 3.33Å
273	F	96.5	Very high	96.9	Very high	79 Å²	79	49 Å²	49	35%	0.346	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-143.3	127.8	174.2	-173.7	-110.4	0	0	0	110.7	S210 Q211 G275 A276	S210-F273 VanDerWaalsContact O-CD1 3.27Å; S210-F273 WeakPolarHBondContact O-CD1 3.24Å; Q211-F273 VanDerWaalsContact NE2-CD1 3.32Å; F273-G275 PolarHBondContact O-N 2.92Å; F273-A276 PolarHBondContact N-O 2.88Å; F273-A276 WeakPolarHBondContact O-CB 3.39Å; F273-A276 PolarHBondContact O-N 2.74Å
274	R	94.3	Very high	97.2	Very high	50 Å²	50	49.3 Å²	49.3	19%	0.189	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	32.7	178.5	-59.6	-162.3	173.6	165.6	1.4	115.5	E140 E142 D185 R186	E140-R274 PolarHBondContact O-NH2 2.73Å; E142-R274 VanDerWaalsContact OE1-CD 3.31Å; E142-R274 WeakPolarHBondContact OE1-CD 3.06Å; E142-R274 VanDerWaalsContact OE1-CG 3.29Å; E142-R274 WeakPolarHBondContact OE1-CG 3.31Å; E142-R274 IonicContact OE1-NE 3.59Å; E142-R274 PolarHBondContact OE1-NE 3.47Å; D185-R274 WeakPolarHBondContact O-CD 3.35Å; D185-R274 PolarHBondContact O-NH1 3.12Å; R186-R274 HydrophobicContact CG-CB 4.33Å; R186-R274 PolarHBondContact NE-O 2.96Å; R186-R274 PolarHBondContact NH2-O 2.61Å
275	G	93.1	Very high	97.5	Very high	46 Å²	46	49.4 Å²	49.4	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-17.4	176.8	0	0	0	0	0	114.6	W213 F273	W213-G275 VanDerWaalsContact CH2-O 3.31Å; W213-G275 WeakPolarHBondContact CH2-O 3.26Å; W213-G275 VanDerWaalsContact CZ3-O 3.31Å; W213-G275 WeakPolarHBondContact CZ3-O 3.48Å; F273-G275 PolarHBondContact O-N 2.92Å
276	A	96.9	Very high	97.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-70	142.7	170.7	0	0	0	0	0	110.1	Q211 W213 P272 F273 C278	Q211-A276 HydrophobicContact CB-CB 3.77Å; Q211-A276 HydrophobicContact CG-CB 4.18Å; W213-A276 HydrophobicContact CD2-CB 4.16Å; W213-A276 HydrophobicContact CH2-CB 4.45Å; W213-A276 HydrophobicContact CZ2-CB 4.06Å; P272-A276 WeakPolarHBondContact CA-O 3.42Å; P272-A276 WeakPolarHBondContact CB-O 3.33Å; F273-A276 PolarHBondContact N-O 2.88Å; F273-A276 WeakPolarHBondContact O-CB 3.39Å; F273-A276 PolarHBondContact O-N 2.74Å; A276-C278 PolarHBondContact O-N 3.28Å
277	P	96.9	Very high	97.5	Very high	58 Å²	58	48.6 Å²	48.6	38%	0.377	28%	0.278	S	S	.	.	S	Bend	trans	-67.3	-24.9	178.7	26.9	-35.6	0	0	0	113.2	I212	I212-P277 VanDerWaalsContact O-CD 3.24Å; I212-P277 WeakPolarHBondContact O-CD 3.29Å; I212-P277 WeakPolarHBondContact O-CG 3.42Å
278	C	97.8	Very high	97.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-140.8	158.1	-174.2	-68.5	0	0	0	0	110.9	I212 C216 V271 A276	I212-C278 HydrophobicContact CB-CB 3.91Å; I212-C278 WeakPolarHBondContact CB-O 3.45Å; I212-C278 HydrophobicContact CD1-CB 4.43Å; I212-C278 HydrophobicContact CG2-CB 4.22Å; I212-C278 PolarHBondContact N-O 3.1Å; C216-C278 HydrophobicContact CB-CB 3.72Å; C216-C278 WeakPolarHBondContact CB-SG 3.24Å; C216-C278 WeakPolarHBondContact SG-CB 3.24Å; C216-C278 CovalentContact SG-SG 2Å; C216-C278 PolarHBondContact SG-SG 3.21Å; V271-C278 CarbonylContact O-C 3.36Å; V271-C278 VanDerWaalsContact O-CA 3.22Å; V271-C278 WeakPolarHBondContact O-CA 3.47Å; A276-C278 PolarHBondContact O-N 3.28Å
279	S	98.3	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.279	C	S	.	.			trans	-157	167.6	178.7	67.4	0	0	0	0	112.5	Q209 S210 V271 A281 A282	Q209-S279 CarbonylContact O-C 3.57Å; Q209-S279 WeakPolarHBondContact O-CA 3.47Å; S210-S279 WeakPolarHBondContact O-CB 3.4Å; V271-S279 PolarHBondContact O-N 3.03Å; V271-S279 PolarHBondContact O-OG 3.31Å; V271-S279 VanDerWaalsContact O-OG 3.05Å; S279-A281 PolarHBondContact O-N 2.67Å; S279-A281 VanDerWaalsContact O-N 3.13Å; S279-A281 WeakPolarHBondContact OG-CB 3.39Å; S279-A281 PolarHBondContact OG-N 3Å; S279-A282 WeakPolarHBondContact O-CB 3.34Å; S279-A282 PolarHBondContact O-N 3.09Å; S279-A282 VanDerWaalsContact O-N 3.12Å
280	D	97.7	Very high	97.5	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.048	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-54.3	-19.2	169	57.8	14.5	0	0	0	114.7	Q209 S210 Y253 Y255 A282 G283	Q209-D280 HydrophobicContact CB-CB 4.09Å; Q209-D280 PolarHBondContact O-N 3.34Å; S210-D280 VanDerWaalsContact CA-OD2 3.25Å; S210-D280 WeakPolarHBondContact CA-OD2 3.44Å; S210-D280 PolarHBondContact N-OD2 2.78Å; S210-D280 VanDerWaalsContact N-OD2 3.1Å; S210-D280 PolarHBondContact OG-OD2 3.5Å; Y253-D280 HydrophobicContact CD1-CB 4.1Å; Y253-D280 WeakPolarHBondContact CD1-O 3.2Å; Y253-D280 HydrophobicContact CE1-CB 3.7Å; Y253-D280 WeakPolarHBondContact CE1-O 3.36Å; Y253-D280 HydrophobicContact CE2-CB 4.41Å; Y255-D280 WeakPolarHBondContact OH-CA 3.48Å; Y255-D280 WeakPolarHBondContact OH-CB 3.27Å; D280-A282 PolarHBondContact O-N 3.23Å; D280-A282 VanDerWaalsContact O-N 3.11Å; D280-G283 WeakPolarHBondContact O-CA 3.05Å; D280-G283 PolarHBondContact O-N 3.26Å
281	A	97.8	Very high	97.5	Very high	58 Å²	58	42.8 Å²	42.8	48%	0.479	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-65.5	-9.9	174	0	0	0	0	0	113.6	V271 S279	V271-A281 HydrophobicContact CG1-CB 3.8Å; S279-A281 PolarHBondContact O-N 2.67Å; S279-A281 VanDerWaalsContact O-N 3.13Å; S279-A281 WeakPolarHBondContact OG-CB 3.39Å; S279-A281 PolarHBondContact OG-N 3Å
282	A	98.2	Very high	97.5	Very high	23 Å²	23	41.2 Å²	41.2	19%	0.19	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-71.6	-17.7	165.5	0	0	0	0	0	113.1	I268 A269 V271 S279 D280	I268-A282 HydrophobicContact CB-CB 4.14Å; I268-A282 HydrophobicContact CD1-CB 3.97Å; I268-A282 HydrophobicContact CG1-CB 4.4Å; A269-A282 HydrophobicContact CB-CB 4.44Å; A269-A282 WeakPolarHBondContact O-CB 3.41Å; V271-A282 HydrophobicContact CB-CB 4.41Å; V271-A282 HydrophobicContact CG2-CB 3.9Å; S279-A282 WeakPolarHBondContact O-CB 3.34Å; S279-A282 PolarHBondContact O-N 3.09Å; S279-A282 VanDerWaalsContact O-N 3.12Å; D280-A282 PolarHBondContact O-N 3.23Å; D280-A282 VanDerWaalsContact O-N 3.11Å
283	G	98.1	Very high	97.4	Very high	18 Å²	18	43.4 Å²	43.4	19%	0.186	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-178	174.2	0	0	0	0	0	112.3	D254 Y255 D280	D254-G283 CarbonylContact O-C 3.57Å; D254-G283 VanDerWaalsContact O-CA 3.29Å; D254-G283 WeakPolarHBondContact O-CA 3.26Å; Y255-G283 VanDerWaalsContact CD1-CA 3.43Å; D280-G283 WeakPolarHBondContact O-CA 3.05Å; D280-G283 PolarHBondContact O-N 3.26Å
284	R	98.3	Very high	97.4	Very high	146 Å²	146	41.6 Å²	41.6	55%	0.551	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121	133.1	176.9	-178.8	-178.9	61.9	119.7	2.6	109.9	Y253 D254 V286	Y253-R284 WeakPolarHBondContact CA-O 3.4Å; D254-R284 PolarHBondContact N-O 3.47Å; D254-R284 PolarHBondContact O-N 3.41Å; D254-R284 IonicContact OD2-CZ 3.55Å; D254-R284 IonicContact OD2-NE 2.73Å; D254-R284 IonicContact OD2-NH2 2.71Å; D254-R284 PolarHBondContact OD2-NH2 3.36Å; R284-V286 WeakPolarHBondContact O-CG2 3.35Å; R284-V286 PolarHBondContact O-N 2.98Å
285	Q	98.4	Very high	97.4	Very high	84 Å²	84	39.8 Å²	39.8	39%	0.393	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	131	172.3	-159.9	-174.5	67.9	0	0	110.9	Y251 G252	Y251-Q285 HydrophobicContact CD2-CG 3.14Å; Y251-Q285 HydrophobicContact CE2-CG 3.53Å; Y251-Q285 HydrophobicContact CG-CG 3.86Å; Y251-Q285 VanDerWaalsContact CZ-NE2 3.28Å; G252-Q285 CarbonylContact O-C 3.53Å; G252-Q285 WeakPolarHBondContact O-CA 3.4Å
286	V	98.4	Very high	97.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.1	-179.3	-173.8	0	0	0	0	110.6	Y251 G252 D254 R284 T290 I291	Y251-V286 WeakPolarHBondContact CA-O 2.99Å; Y251-V286 WeakPolarHBondContact CB-O 3.02Å; G252-V286 PolarHBondContact N-O 3.34Å; G252-V286 PolarHBondContact O-N 2.79Å; D254-V286 HydrophobicContact CB-CG2 3.49Å; D254-V286 VanDerWaalsContact CB-CG2 3.49Å; R284-V286 WeakPolarHBondContact O-CG2 3.35Å; R284-V286 PolarHBondContact O-N 2.98Å; V286-T290 HydrophobicContact CG1-CG2 3.54Å; V286-I291 HydrophobicContact CB-CD1 4.44Å; V286-I291 HydrophobicContact CB-CG1 4.19Å; V286-I291 HydrophobicContact CG1-CG1 3.86Å; V286-I291 VanDerWaalsContact O-CD1 3.28Å; V286-I291 WeakPolarHBondContact O-CD1 2.93Å
287	P	98.5	Very high	97	Very high	41 Å²	41	49.2 Å²	49.2	27%	0.266	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	147.8	176.6	-25.2	35.4	0	0	0	113.3	K289 T290 I291 C355	P287-K289 VanDerWaalsContact C-N 3.27Å; P287-K289 HydrophobicContact CB-CG 4.03Å; P287-K289 PolarHBondContact O-N 2.81Å; P287-T290 WeakPolarHBondContact O-CB 3.21Å; P287-T290 PolarHBondContact O-N 2.75Å; P287-I291 PolarHBondContact O-N 3.28Å; P287-C355 HydrophobicContact CB-CB 4.03Å
288	Y	98.7	Very high	96.9	Very high	11 Å²	11	47.2 Å²	47.2	4%	0.043	26%	0.255	C	S	.	.	H	α-helix	trans	-51.6	-40.8	178.9	-171	-100.2	0	0	0	113.8	W250 T290 I291 M292 Y327 D328 N329 C355 L356 Q367 M371	W250-Y288 WeakPolarHBondContact O-CB 3.45Å; W250-Y288 PolarHBondContact O-N 2.88Å; W250-Y288 VanDerWaalsContact O-N 3.08Å; Y288-T290 PolarHBondContact O-N 2.93Å; Y288-I291 WeakPolarHBondContact O-CB 3.11Å; Y288-I291 PolarHBondContact O-N 3.46Å; Y288-I291 VanDerWaalsContact O-N 3.16Å; Y288-M292 HydrophobicContact CD1-CG 3.68Å; Y288-M292 HydrophobicContact CD2-CE 4.34Å; Y288-M292 HydrophobicContact CE1-CG 3.33Å; Y288-M292 HydrophobicContact CE1-SD 3.91Å; Y288-M292 HydrophobicContact CE2-CE 3.78Å; Y288-M292 HydrophobicContact CE2-CG 4.22Å; Y288-M292 HydrophobicContact CE2-SD 4.12Å; Y288-M292 HydrophobicContact CG-CG 4.27Å; Y288-M292 VanDerWaalsContact CZ-SD 3.58Å; Y288-M292 WeakPolarHBondContact O-CG 3.17Å; Y288-M292 PolarHBondContact O-N 3.08Å; Y288-M292 PolarHBondContact OH-SD 3.07Å; Y288-Y327 HydrophobicContact CD2-CD2 4.09Å; Y288-Y327 AromaticContact CE2-CD2 3.83Å; Y288-Y327 HydrophobicContact CE2-CD2 3.83Å; Y288-Y327 AromaticContact CE2-CE2 3.95Å; Y288-Y327 HydrophobicContact CE2-CE2 3.95Å; Y288-D328 WeakPolarHBondContact CD2-O 3.4Å; Y288-D328 VanDerWaalsContact CE2-O 3.25Å; Y288-D328 WeakPolarHBondContact CE2-O 3.32Å; Y288-N329 HydrophobicContact CE2-CB 4.43Å; Y288-C355 PolarHBondContact N-O 2.96Å; Y288-L356 HydrophobicContact CD1-CD2 3.66Å; Y288-L356 HydrophobicContact CE1-CD2 4.46Å; Y288-L356 HydrophobicContact CG-CD2 4.1Å; Y288-Q367 HydrophobicContact CE1-CB 4.43Å; Y288-M371 HydrophobicContact CD1-CG 4.27Å; Y288-M371 HydrophobicContact CD2-CE 4.3Å; Y288-M371 HydrophobicContact CE1-CG 3.78Å; Y288-M371 HydrophobicContact CE1-SD 4.15Å; Y288-M371 HydrophobicContact CE2-CE 4.32Å; Y288-M371 HydrophobicContact CE2-SD 4.02Å
289	K	98	Very high	96.7	Very high	67 Å²	67	52.1 Å²	52.1	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-55.6	-35.8	175	64.8	-166.6	176.6	-160.9	0	114.3	P287 K293 N354 C355 L356 D357	P287-K289 VanDerWaalsContact C-N 3.27Å; P287-K289 HydrophobicContact CB-CG 4.03Å; P287-K289 PolarHBondContact O-N 2.81Å; K289-K293 WeakPolarHBondContact O-CD 3.49Å; K289-K293 WeakPolarHBondContact O-CG 3.31Å; K289-K293 PolarHBondContact O-N 3.1Å; K289-N354 PolarHBondContact NZ-O 2.89Å; K289-C355 WeakPolarHBondContact CB-O 3.49Å; K289-C355 WeakPolarHBondContact CG-O 3.3Å; K289-C355 PolarHBondContact N-O 3.39Å; K289-L356 WeakPolarHBondContact CD-O 3.15Å; K289-D357 HydrophobicContact CB-CB 3.71Å
290	T	98.1	Very high	96.5	Very high	59 Å²	59	53.5 Å²	53.5	36%	0.362	29%	0.29	S	S	.	.	H	α-helix	trans	-76.9	-41.7	179.5	-58.7	0	0	0	0	110.3	V286 P287 Y288 M292 K293 Q294	V286-T290 HydrophobicContact CG1-CG2 3.54Å; P287-T290 WeakPolarHBondContact O-CB 3.21Å; P287-T290 PolarHBondContact O-N 2.75Å; Y288-T290 PolarHBondContact O-N 2.93Å; T290-M292 PolarHBondContact O-N 3.12Å; T290-K293 PolarHBondContact O-N 3.09Å; T290-Q294 PolarHBondContact O-N 3.21Å; T290-Q294 VanDerWaalsContact O-N 3.13Å
291	I	98.5	Very high	96.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-50.2	175.5	-65.1	165.3	0	0	0	109.8	V286 P287 Y288 K293 Q294 I295 Y313 V325 Y327	V286-I291 HydrophobicContact CB-CD1 4.44Å; V286-I291 HydrophobicContact CB-CG1 4.19Å; V286-I291 HydrophobicContact CG1-CG1 3.86Å; V286-I291 VanDerWaalsContact O-CD1 3.28Å; V286-I291 WeakPolarHBondContact O-CD1 2.93Å; P287-I291 PolarHBondContact O-N 3.28Å; Y288-I291 WeakPolarHBondContact O-CB 3.11Å; Y288-I291 PolarHBondContact O-N 3.46Å; Y288-I291 VanDerWaalsContact O-N 3.16Å; I291-K293 VanDerWaalsContact C-N 3.31Å; I291-K293 PolarHBondContact O-N 2.96Å; I291-Q294 PolarHBondContact O-N 2.03Å; I291-Q294 VanDerWaalsContact O-N 3.11Å; I291-I295 PolarHBondContact O-N 3.36Å; I291-Y313 HydrophobicContact CG2-CE1 3.69Å; I291-V325 HydrophobicContact CD1-CG1 4.48Å; I291-V325 HydrophobicContact CG1-CG1 4.08Å; I291-Y327 HydrophobicContact CD1-CG 4.2Å; I291-Y327 HydrophobicContact CG2-CD1 3.61Å; I291-Y327 HydrophobicContact CG2-CD2 3.84Å; I291-Y327 HydrophobicContact CG2-CE1 3.79Å; I291-Y327 HydrophobicContact CG2-CE2 4.02Å; I291-Y327 HydrophobicContact CG2-CG 3.65Å
292	M	97.8	Very high	96.3	Very high	17 Å²	17	55.6 Å²	55.6	8%	0.084	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-31.7	-179.5	-69.1	-55.1	97.1	0	0	113.6	Y288 T290 Q294 Y327	Y288-M292 HydrophobicContact CD1-CG 3.68Å; Y288-M292 HydrophobicContact CD2-CE 4.34Å; Y288-M292 HydrophobicContact CE1-CG 3.33Å; Y288-M292 HydrophobicContact CE1-SD 3.91Å; Y288-M292 HydrophobicContact CE2-CE 3.78Å; Y288-M292 HydrophobicContact CE2-CG 4.22Å; Y288-M292 HydrophobicContact CE2-SD 4.12Å; Y288-M292 HydrophobicContact CG-CG 4.27Å; Y288-M292 VanDerWaalsContact CZ-SD 3.58Å; Y288-M292 WeakPolarHBondContact O-CG 3.17Å; Y288-M292 PolarHBondContact O-N 3.08Å; Y288-M292 PolarHBondContact OH-SD 3.07Å; T290-M292 PolarHBondContact O-N 3.12Å; M292-Q294 VanDerWaalsContact C-N 3.34Å; M292-Y327 HydrophobicContact CE-CD2 4.05Å; M292-Y327 HydrophobicContact CE-CE2 3.31Å
293	K	95.9	Very high	96.2	Very high	143 Å²	143	57.8 Å²	57.8	62%	0.622	31%	0.306	S	S	*	.	H	α-helix	trans	-70.8	-30	174.2	-80.2	170.6	167.7	158.6	0	112.9	K289 T290 I291 D357	K289-K293 WeakPolarHBondContact O-CD 3.49Å; K289-K293 WeakPolarHBondContact O-CG 3.31Å; K289-K293 PolarHBondContact O-N 3.1Å; T290-K293 PolarHBondContact O-N 3.09Å; I291-K293 VanDerWaalsContact C-N 3.31Å; I291-K293 PolarHBondContact O-N 2.96Å; K293-D357 WeakPolarHBondContact CE-OD2 3.22Å; K293-D357 IonicContact NZ-OD2 3.67Å; K293-D357 PolarHBondContact NZ-OD2 3.34Å
294	Q	95.5	Very high	96.2	Very high	40 Å²	40	60.4 Å²	60.4	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-90	-32.9	-174.5	-171.5	179.1	17.9	0	0	113.1	T290 I291 M292 N296 S297 S298 Y313 Y315	T290-Q294 PolarHBondContact O-N 3.21Å; T290-Q294 VanDerWaalsContact O-N 3.13Å; I291-Q294 PolarHBondContact O-N 2.03Å; I291-Q294 VanDerWaalsContact O-N 3.11Å; M292-Q294 VanDerWaalsContact C-N 3.34Å; Q294-N296 VanDerWaalsContact C-N 3.28Å; Q294-N296 PolarHBondContact O-N 3Å; Q294-N296 VanDerWaalsContact O-N 3.11Å; Q294-S297 WeakPolarHBondContact O-CA 3.44Å; Q294-S297 PolarHBondContact O-N 3.44Å; Q294-S297 PolarHBondContact O-OG 3.08Å; Q294-S298 PolarHBondContact O-N 2.77Å; Q294-Y313 HydrophobicContact CG-CE2 4.08Å; Q294-Y313 PolarHBondContact OE1-OH 2.96Å; Q294-Y315 VanDerWaalsContact NE2-CD2 3.31Å; Q294-Y315 VanDerWaalsContact NE2-CE2 3.29Å; Q294-Y315 VanDerWaalsContact NE2-CG 3.3Å
295	I	94	Very high	96.2	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.062	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.6	-38.2	-167.4	-163.2	166	0	0	0	114.5	I291 S297 S298 N302 Y313 Y327	I291-I295 PolarHBondContact O-N 3.36Å; I295-S297 PolarHBondContact O-N 2.92Å; I295-S298 WeakPolarHBondContact O-CB 3.29Å; I295-S298 PolarHBondContact O-N 2.96Å; I295-S298 VanDerWaalsContact O-N 3.13Å; I295-S298 PolarHBondContact O-OG 3.48Å; I295-N302 HydrophobicContact CD1-CB 3.56Å; I295-N302 HydrophobicContact CG1-CB 4.3Å; I295-Y313 HydrophobicContact CB-CD1 4.22Å; I295-Y313 HydrophobicContact CB-CE1 4.26Å; I295-Y313 HydrophobicContact CD1-CD1 3.96Å; I295-Y313 HydrophobicContact CG1-CD1 3.77Å; I295-Y313 HydrophobicContact CG1-CE1 4.32Å; I295-Y313 HydrophobicContact CG1-CG 4.11Å; I295-Y327 HydrophobicContact CD1-CE1 4.41Å; I295-Y327 WeakPolarHBondContact CD1-OH 3.39Å
296	N	90.6	Very high	96.2	Very high	150 Å²	150	58.9 Å²	58.9	80%	0.802	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.9	-18.1	179.7	-69.6	-22.8	0	0	0	113.4	Q294	Q294-N296 VanDerWaalsContact C-N 3.28Å; Q294-N296 PolarHBondContact O-N 3Å; Q294-N296 VanDerWaalsContact O-N 3.11Å
297	S	91.3	Very high	96.1	Very high	95 Å²	95	65 Å²	65	66%	0.664	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-99.6	1.8	174.7	67.1	0	0	0	0	113.2	Q294 I295	Q294-S297 WeakPolarHBondContact O-CA 3.44Å; Q294-S297 PolarHBondContact O-N 3.44Å; Q294-S297 PolarHBondContact O-OG 3.08Å; I295-S297 PolarHBondContact O-N 2.92Å
298	S	94.3	Very high	96.1	Very high	17 Å²	17	64.9 Å²	64.9	12%	0.119	34%	0.336	C	S	.	.	S	Bend	trans	-73.8	162.7	179	77.1	0	0	0	0	111.6	Q294 I295 G301 Y313 N314	Q294-S298 PolarHBondContact O-N 2.77Å; I295-S298 WeakPolarHBondContact O-CB 3.29Å; I295-S298 PolarHBondContact O-N 2.96Å; I295-S298 VanDerWaalsContact O-N 3.13Å; I295-S298 PolarHBondContact O-OG 3.48Å; S298-G301 VanDerWaalsContact OG-CA 3.24Å; S298-G301 WeakPolarHBondContact OG-CA 3.36Å; S298-G301 PolarHBondContact OG-N 3.09Å; S298-Y313 VanDerWaalsContact CB-CD2 3.44Å; S298-N314 VanDerWaalsContact CB-O 3.31Å; S298-N314 WeakPolarHBondContact CB-O 3.26Å
299	I	94.1	Very high	96.1	Very high	103 Å²	103	67 Å²	67	53%	0.528	35%	0.346	S	S	.	.	S	Bend	trans	-80.2	-25.5	-179.1	61.8	173.1	0	0	0	112.3	N314 F322	I299-N314 HydrophobicContact CD1-CB 4.19Å; I299-N314 HydrophobicContact CG1-CB 4.03Å; I299-N314 WeakPolarHBondContact CG1-O 3.39Å; I299-N314 PolarHBondContact N-O 3.13Å; I299-F322 HydrophobicContact CD1-CD1 3.88Å; I299-F322 HydrophobicContact CD1-CE1 3.68Å
300	S	94.6	Very high	96.1	Very high	28 Å²	28	63.8 Å²	63.8	20%	0.196	33%	0.333	C	S	.	.	S	Bend	trans	-100.1	-16.3	-178.7	63.7	0	0	0	0	113.6	Q303 Y313 N314	S300-Q303 PolarHBondContact O-NE2 3.28Å; S300-Y313 WeakPolarHBondContact OG-CA 3.2Å; S300-N314 PolarHBondContact N-O 3.16Å; S300-N314 PolarHBondContact OG-N 3.25Å
301	G	94.6	Very high	96.1	Very high	27 Å²	27	61 Å²	61	28%	0.278	32%	0.316	S	S	.	.			trans	60.5	-168.1	-158.8	0	0	0	0	0	111.6	S298 Q303 Y313	S298-G301 VanDerWaalsContact OG-CA 3.24Å; S298-G301 WeakPolarHBondContact OG-CA 3.36Å; S298-G301 PolarHBondContact OG-N 3.09Å; G301-Q303 PolarHBondContact O-N 2.84Å; G301-Y313 WeakPolarHBondContact O-CB 3.47Å
302	N	95.8	Very high	96.1	Very high	85 Å²	85	62 Å²	62	46%	0.455	32%	0.32	S	S	.	.	S	Bend	trans	-67.7	122.7	175.2	-173.7	36.5	0	0	0	111.2	I295 P311 Y327	I295-N302 HydrophobicContact CD1-CB 3.56Å; I295-N302 HydrophobicContact CG1-CB 4.3Å; N302-P311 WeakPolarHBondContact OD1-CB 3.21Å; N302-Y327 PolarHBondContact OD1-OH 2.74Å
303	Q	97.6	Very high	96.2	Very high	68 Å²	68	61.2 Å²	61.2	32%	0.318	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	154.3	173.3	-61.1	-60.5	-39.7	0	0	109.9	S300 G301 P311 Y312	S300-Q303 PolarHBondContact O-NE2 3.28Å; G301-Q303 PolarHBondContact O-N 2.84Å; Q303-P311 CarbonylContact O-C 3.59Å; Q303-P311 WeakPolarHBondContact O-CA 3.48Å; Q303-Y312 WeakPolarHBondContact CA-O 3.45Å; Q303-Y312 HydrophobicContact CB-CD1 3.95Å; Q303-Y312 HydrophobicContact CB-CD2 4.16Å; Q303-Y312 HydrophobicContact CB-CE1 3.58Å; Q303-Y312 HydrophobicContact CB-CE2 3.83Å; Q303-Y312 HydrophobicContact CB-CG 4.22Å; Q303-Y312 WeakPolarHBondContact CB-O 3.35Å; Q303-Y312 HydrophobicContact CG-CE2 4.19Å; Q303-Y312 PolarHBondContact N-O 2.77Å; Q303-Y312 PolarHBondContact O-N 2.77Å
304	W	98.1	Very high	96.3	Very high	73 Å²	73	54.5 Å²	54.5	28%	0.277	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.1	178.7	-179.9	-95.6	0	0	0	110.6	Q309 P311 H331 L335	W304-Q309 HydrophobicContact CH2-CB 4.35Å; W304-Q309 WeakPolarHBondContact CH2-O 3.01Å; W304-Q309 VanDerWaalsContact CZ2-CA 3.42Å; W304-Q309 HydrophobicContact CZ2-CB 3.81Å; W304-P311 HydrophobicContact CE3-CB 4.34Å; W304-H331 AromaticContact CH2-CD2 3.32Å; W304-H331 WeakPolarHBondContact CH2-CD2 3.29Å; W304-H331 AromaticContact CZ2-CD2 3.61Å; W304-H331 AromaticContact CZ2-NE2 3.84Å; W304-H331 AromaticContact CZ3-CD2 3.67Å; W304-L335 HydrophobicContact CH2-CD1 4.24Å; W304-L335 HydrophobicContact CZ2-CD1 4.09Å
305	D	98.4	Very high	96.4	Very high	36 Å²	36	54 Å²	54	19%	0.193	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.5	172.2	-172.4	-74	0	0	0	110.1	D307 Q308 Q309 A310 Y312 W326	D305-D307 PolarHBondContact OD1-N 2.89Å; D305-Q308 HydrophobicContact CB-CB 4.36Å; D305-Q308 WeakPolarHBondContact OD1-CB 3.31Å; D305-Q308 PolarHBondContact OD1-N 2.81Å; D305-Q309 WeakPolarHBondContact O-CA 3.41Å; D305-Q309 PolarHBondContact O-N 3.23Å; D305-A310 PolarHBondContact N-O 3.08Å; D305-A310 PolarHBondContact O-N 2.71Å; D305-Y312 HydrophobicContact CB-CD1 4.29Å; D305-Y312 HydrophobicContact CB-CE1 4.18Å; D305-W326 HydrophobicContact CB-CH2 3.56Å; D305-W326 HydrophobicContact CB-CZ3 3.59Å
306	K	97.7	Very high	96.5	Very high	163 Å²	163	58.8 Å²	58.8	71%	0.709	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.2	-176.2	-68.6	-178.9	-178.5	173.4	0	113.4	Q309	K306-Q309 PolarHBondContact O-NE2 3.48Å
307	D	96.3	Very high	96.8	Very high	130 Å²	130	53.3 Å²	53.3	70%	0.695	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-39.5	-175.6	-65.7	-26.1	0	0	0	110.5	N225 D305	N225-D307 PolarHBondContact ND2-O 3.42Å; D305-D307 PolarHBondContact OD1-N 2.89Å
308	Q	97.9	Very high	97.1	Very high	39 Å²	39	55.7 Å²	55.7	18%	0.182	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-17	176.9	-60	-173.6	69.7	0	0	112.6	A220 P223 Y224 D305 A310 W326	A220-Q308 HydrophobicContact CB-CB 4.12Å; A220-Q308 VanDerWaalsContact CB-OE1 3.27Å; P223-Q308 HydrophobicContact CB-CB 4.17Å; P223-Q308 HydrophobicContact CB-CG 4.33Å; Y224-Q308 PolarHBondContact N-O 3.1Å; D305-Q308 HydrophobicContact CB-CB 4.36Å; D305-Q308 WeakPolarHBondContact OD1-CB 3.31Å; D305-Q308 PolarHBondContact OD1-N 2.81Å; Q308-A310 VanDerWaalsContact C-N 3.3Å; Q308-A310 HydrophobicContact CB-CB 4.46Å; Q308-A310 PolarHBondContact O-N 2.7Å; Q308-W326 VanDerWaalsContact NE2-CH2 3.3Å
309	Q	98.5	Very high	97.2	Very high	54 Å²	54	58.5 Å²	58.5	25%	0.252	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	49.3	-176.1	-60.2	-79	-42.2	0	0	111.3	Y224 W304 D305 K306 S332 L335	Y224-Q309 HydrophobicContact CD1-CG 4.29Å; Y224-Q309 HydrophobicContact CG-CB 4.22Å; Y224-Q309 HydrophobicContact CG-CG 4.32Å; W304-Q309 HydrophobicContact CH2-CB 4.35Å; W304-Q309 WeakPolarHBondContact CH2-O 3.01Å; W304-Q309 VanDerWaalsContact CZ2-CA 3.42Å; W304-Q309 HydrophobicContact CZ2-CB 3.81Å; D305-Q309 WeakPolarHBondContact O-CA 3.41Å; D305-Q309 PolarHBondContact O-N 3.23Å; K306-Q309 PolarHBondContact O-NE2 3.48Å; Q309-S332 VanDerWaalsContact O-CB 3.24Å; Q309-S332 WeakPolarHBondContact O-CB 3.3Å; Q309-L335 HydrophobicContact CB-CD1 3.97Å; Q309-L335 HydrophobicContact CG-CD1 4.36Å
310	A	98.5	Very high	97.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.9	-176.7	0	0	0	0	0	111.1	A220 D305 Q308 W326	A220-A310 HydrophobicContact CB-CB 3.5Å; A220-A310 VanDerWaalsContact CB-CB 3.5Å; D305-A310 PolarHBondContact N-O 3.08Å; D305-A310 PolarHBondContact O-N 2.71Å; Q308-A310 VanDerWaalsContact C-N 3.3Å; Q308-A310 HydrophobicContact CB-CB 4.46Å; Q308-A310 PolarHBondContact O-N 2.7Å; A310-W326 HydrophobicContact CB-CE3 4.29Å; A310-W326 HydrophobicContact CB-CZ3 4.35Å
311	P	98.6	Very high	97.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	152.7	173.3	34.7	-39.2	0	0	0	112.6	N302 Q303 W304 Y327 N329	N302-P311 WeakPolarHBondContact OD1-CB 3.21Å; Q303-P311 CarbonylContact O-C 3.59Å; Q303-P311 WeakPolarHBondContact O-CA 3.48Å; W304-P311 HydrophobicContact CE3-CB 4.34Å; P311-Y327 HydrophobicContact CB-CD1 4.36Å; P311-Y327 HydrophobicContact CB-CE1 3.74Å; P311-Y327 HydrophobicContact CB-CE2 4.08Å; P311-Y327 WeakPolarHBondContact CD-O 3.45Å; P311-Y327 HydrophobicContact CG-CD1 4.02Å; P311-Y327 HydrophobicContact CG-CD2 3.75Å; P311-Y327 HydrophobicContact CG-CE1 3.8Å; P311-Y327 HydrophobicContact CG-CE2 3.53Å; P311-Y327 HydrophobicContact CG-CG 3.98Å; P311-Y327 VanDerWaalsContact CG-O 3.23Å; P311-Y327 WeakPolarHBondContact CG-O 3.03Å; P311-Y327 PolarHBondContact O-N 2.9Å; P311-N329 HydrophobicContact CG-CB 4.01Å
312	Y	98.8	Very high	97.6	Very high	21 Å²	21	60.9 Å²	60.9	8%	0.082	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	166.4	166.9	71.1	-81.8	0	0	0	111.3	H264 Q303 D305 Q324 V325 W326	H264-Y312 HydrophobicContact CB-CE2 4.21Å; Q303-Y312 WeakPolarHBondContact CA-O 3.45Å; Q303-Y312 HydrophobicContact CB-CD1 3.95Å; Q303-Y312 HydrophobicContact CB-CD2 4.16Å; Q303-Y312 HydrophobicContact CB-CE1 3.58Å; Q303-Y312 HydrophobicContact CB-CE2 3.83Å; Q303-Y312 HydrophobicContact CB-CG 4.22Å; Q303-Y312 WeakPolarHBondContact CB-O 3.35Å; Q303-Y312 HydrophobicContact CG-CE2 4.19Å; Q303-Y312 PolarHBondContact N-O 2.77Å; Q303-Y312 PolarHBondContact O-N 2.77Å; D305-Y312 HydrophobicContact CB-CD1 4.29Å; D305-Y312 HydrophobicContact CB-CE1 4.18Å; Y312-Q324 HydrophobicContact CD2-CG 4.1Å; Y312-V325 CarbonylContact C-O 3.56Å; Y312-V325 WeakPolarHBondContact CA-O 3.01Å; Y312-V325 VanDerWaalsContact CB-O 3.25Å; Y312-V325 WeakPolarHBondContact CB-O 3.37Å; Y312-W326 HydrophobicContact CD1-CE3 4.27Å; Y312-W326 AromaticContact CD1-CH2 3.57Å; Y312-W326 HydrophobicContact CD1-CH2 3.57Å; Y312-W326 AromaticContact CD1-CZ2 3.95Å; Y312-W326 HydrophobicContact CD1-CZ2 3.95Å; Y312-W326 AromaticContact CD1-CZ3 3.74Å; Y312-W326 HydrophobicContact CD1-CZ3 3.74Å; Y312-W326 HydrophobicContact CE1-CH2 4.09Å; Y312-W326 HydrophobicContact CE1-CZ2 4.49Å; Y312-W326 HydrophobicContact CG-CD2 4.28Å; Y312-W326 HydrophobicContact CG-CE3 4.33Å; Y312-W326 HydrophobicContact CG-CH2 4.05Å; Y312-W326 AromaticContact CG-CZ2 3.98Å; Y312-W326 HydrophobicContact CG-CZ2 3.98Å; Y312-W326 HydrophobicContact CG-CZ3 4.22Å
313	Y	98.6	Very high	97.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.7	164.5	64.7	-92.5	0	0	0	111	I291 Q294 I295 S298 S300 G301 Y315 Q324 V325 Y327	I291-Y313 HydrophobicContact CG2-CE1 3.69Å; Q294-Y313 HydrophobicContact CG-CE2 4.08Å; Q294-Y313 PolarHBondContact OE1-OH 2.96Å; I295-Y313 HydrophobicContact CB-CD1 4.22Å; I295-Y313 HydrophobicContact CB-CE1 4.26Å; I295-Y313 HydrophobicContact CD1-CD1 3.96Å; I295-Y313 HydrophobicContact CG1-CD1 3.77Å; I295-Y313 HydrophobicContact CG1-CE1 4.32Å; I295-Y313 HydrophobicContact CG1-CG 4.11Å; S298-Y313 VanDerWaalsContact CB-CD2 3.44Å; S300-Y313 WeakPolarHBondContact OG-CA 3.2Å; G301-Y313 WeakPolarHBondContact O-CB 3.47Å; Y313-Y315 HydrophobicContact CD2-CD1 4.29Å; Y313-Y315 AromaticContact CE2-CD1 3.75Å; Y313-Y315 HydrophobicContact CE2-CD1 3.75Å; Y313-Y315 HydrophobicContact CE2-CE1 4.46Å; Y313-Q324 WeakPolarHBondContact O-CA 3.16Å; Y313-V325 HydrophobicContact CD1-CB 4.1Å; Y313-V325 HydrophobicContact CD2-CB 4.3Å; Y313-V325 HydrophobicContact CD2-CG2 4.29Å; Y313-V325 HydrophobicContact CE1-CB 3.66Å; Y313-V325 HydrophobicContact CE1-CG1 3.76Å; Y313-V325 HydrophobicContact CE1-CG2 4.24Å; Y313-V325 HydrophobicContact CE2-CB 3.88Å; Y313-V325 HydrophobicContact CE2-CG2 3.61Å; Y313-V325 HydrophobicContact CG-CB 4.41Å; Y313-V325 PolarHBondContact N-O 2.78Å; Y313-V325 PolarHBondContact O-N 2.96Å; Y313-Y327 HydrophobicContact CD1-CE1 4.01Å; Y313-Y327 HydrophobicContact CE1-CE1 4.31Å
314	N	98.2	Very high	97.8	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.5	173.5	-57.9	-49.9	0	0	0	109.6	L260 S298 I299 S300 H323 Q324	L260-N314 HydrophobicContact CD2-CB 4.22Å; S298-N314 VanDerWaalsContact CB-O 3.31Å; S298-N314 WeakPolarHBondContact CB-O 3.26Å; I299-N314 HydrophobicContact CD1-CB 4.19Å; I299-N314 HydrophobicContact CG1-CB 4.03Å; I299-N314 WeakPolarHBondContact CG1-O 3.39Å; I299-N314 PolarHBondContact N-O 3.13Å; S300-N314 PolarHBondContact N-O 3.16Å; S300-N314 PolarHBondContact OG-N 3.25Å; N314-H323 CarbonylContact C-O 3.53Å; N314-H323 WeakPolarHBondContact CA-O 3.25Å; N314-Q324 WeakPolarHBondContact OD1-CB 3.34Å; N314-Q324 VanDerWaalsContact OD1-CG 3.27Å; N314-Q324 WeakPolarHBondContact OD1-CG 3.44Å; N314-Q324 PolarHBondContact OD1-NE2 2.62Å
315	Y	97.8	Very high	97.9	Very high	29 Å²	29	51 Å²	51	11%	0.114	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	168.2	168.9	77.2	-87.6	0	0	0	110.7	D254 Q294 Y313 D317 H323 V325	D254-Y315 PolarHBondContact OD1-OH 2.79Å; D254-Y315 PolarHBondContact OD2-OH 2.93Å; D254-Y315 VanDerWaalsContact OD2-OH 3.11Å; Q294-Y315 VanDerWaalsContact NE2-CD2 3.31Å; Q294-Y315 VanDerWaalsContact NE2-CE2 3.29Å; Q294-Y315 VanDerWaalsContact NE2-CG 3.3Å; Y313-Y315 HydrophobicContact CD2-CD1 4.29Å; Y313-Y315 AromaticContact CE2-CD1 3.75Å; Y313-Y315 HydrophobicContact CE2-CD1 3.75Å; Y313-Y315 HydrophobicContact CE2-CE1 4.46Å; Y315-D317 HydrophobicContact CE2-CB 4.14Å; Y315-H323 HydrophobicContact CD1-CB 3.56Å; Y315-H323 HydrophobicContact CD2-CB 4.29Å; Y315-H323 HydrophobicContact CE1-CB 3.2Å; Y315-H323 AromaticContact CE1-CG 3.76Å; Y315-H323 HydrophobicContact CE2-CB 3.95Å; Y315-H323 AromaticContact CE2-CD2 3.92Å; Y315-H323 AromaticContact CE2-CG 3.87Å; Y315-H323 HydrophobicContact CG-CB 4.11Å; Y315-H323 AromaticContact CZ-CD2 3.9Å; Y315-H323 AromaticContact CZ-CG 3.4Å; Y315-H323 AromaticContact CZ-ND1 3.7Å; Y315-H323 PolarHBondContact N-O 2.97Å; Y315-H323 PolarHBondContact O-N 3.05Å; Y315-H323 PolarHBondContact OH-ND1 2.8Å; Y315-V325 HydrophobicContact CD1-CG2 3.96Å; Y315-V325 HydrophobicContact CE1-CG2 3.67Å
316	K	97.4	Very high	97.9	Very high	113 Å²	113	49.6 Å²	49.6	49%	0.491	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.9	173.3	-162.3	175.2	-169.7	175.9	0	108.7	G320 H321 F322	K316-G320 VanDerWaalsContact CE-C 3.43Å; K316-G320 VanDerWaalsContact CE-CA 3.43Å; K316-G320 WeakPolarHBondContact CE-O 3.28Å; K316-H321 CarbonylContact C-O 3.42Å; K316-H321 VanDerWaalsContact CA-O 3.31Å; K316-H321 WeakPolarHBondContact CA-O 3.26Å; K316-F322 HydrophobicContact CB-CD1 4.42Å; K316-F322 HydrophobicContact CB-CE1 4.45Å; K316-F322 HydrophobicContact CD-CE1 4.2Å; K316-F322 HydrophobicContact CD-CZ 4.22Å; K316-F322 HydrophobicContact CG-CD1 4.44Å; K316-F322 HydrophobicContact CG-CE1 4.41Å
317	D	96.6	Very high	97.9	Very high	35 Å²	35	42 Å²	42	19%	0.187	23%	0.231	C	C	.	.			trans	-72.1	169	177.6	79.4	4.2	0	0	0	111.1	Y315 A319 G320 H321 H323	Y315-D317 HydrophobicContact CE2-CB 4.14Å; D317-A319 PolarHBondContact O-N 2.86Å; D317-A319 VanDerWaalsContact OD1-C 3.27Å; D317-A319 VanDerWaalsContact OD1-CA 3.3Å; D317-A319 WeakPolarHBondContact OD1-CA 3.4Å; D317-A319 WeakPolarHBondContact OD1-CB 3.48Å; D317-A319 PolarHBondContact OD1-N 3.2Å; D317-G320 PolarHBondContact O-N 3.13Å; D317-G320 PolarHBondContact OD1-N 3.37Å; D317-H321 PolarHBondContact N-O 3.29Å; D317-H321 IonicContact OD1-CG 3.01Å; D317-H321 PolarHBondContact OD1-N 3.36Å; D317-H321 IonicContact OD1-ND1 2.92Å; D317-H321 IonicContact OD2-CG 3.59Å; D317-H321 IonicContact OD2-ND1 3.3Å; D317-H321 PolarHBondContact OD2-ND1 3.18Å; D317-H321 VanDerWaalsContact OD2-ND1 3.1Å; D317-H323 IonicContact OD2-NE2 2.63Å; D317-H323 PolarHBondContact OD2-NE2 3.15Å
318	P	96.6	Very high	98.1	Very high	145 Å²	145	36 Å²	36	94%	0.942	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.4	176.8	-25	35.9	0	0	0	114.8	G320	P318-G320 VanDerWaalsContact C-N 3.28Å
319	A	97.1	Very high	98.1	Very high	76 Å²	76	35 Å²	35	63%	0.628	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.5	175.4	0	0	0	0	0	112.5	D317	D317-A319 PolarHBondContact O-N 2.86Å; D317-A319 VanDerWaalsContact OD1-C 3.27Å; D317-A319 VanDerWaalsContact OD1-CA 3.3Å; D317-A319 WeakPolarHBondContact OD1-CA 3.4Å; D317-A319 WeakPolarHBondContact OD1-CB 3.48Å; D317-A319 PolarHBondContact OD1-N 3.2Å
320	G	96.4	Very high	98.1	Very high	32 Å²	32	33.4 Å²	33.4	33%	0.33	19%	0.189	S	C	.	.	S	Bend	trans	90.6	10.7	178.4	0	0	0	0	0	114.7	K316 D317 P318	K316-G320 VanDerWaalsContact CE-C 3.43Å; K316-G320 VanDerWaalsContact CE-CA 3.43Å; K316-G320 WeakPolarHBondContact CE-O 3.28Å; D317-G320 PolarHBondContact O-N 3.13Å; D317-G320 PolarHBondContact OD1-N 3.37Å; P318-G320 VanDerWaalsContact C-N 3.28Å
321	H	97.8	Very high	98	Very high	100 Å²	100	38 Å²	38	46%	0.463	21%	0.21	S	C	.	.			trans	-79.1	142	172.8	-52	118.5	0	0	0	110.7	T256 K316 D317	T256-H321 HydrophobicContact CG2-CB 4.06Å; K316-H321 CarbonylContact C-O 3.42Å; K316-H321 VanDerWaalsContact CA-O 3.31Å; K316-H321 WeakPolarHBondContact CA-O 3.26Å; D317-H321 PolarHBondContact N-O 3.29Å; D317-H321 IonicContact OD1-CG 3.01Å; D317-H321 PolarHBondContact OD1-N 3.36Å; D317-H321 IonicContact OD1-ND1 2.92Å; D317-H321 IonicContact OD2-CG 3.59Å; D317-H321 IonicContact OD2-ND1 3.3Å; D317-H321 PolarHBondContact OD2-ND1 3.18Å; D317-H321 VanDerWaalsContact OD2-ND1 3.1Å
322	F	98.3	Very high	98	Very high	76 Å²	76	38 Å²	38	33%	0.333	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	143.1	170.3	-72.1	-77.7	0	0	0	110.1	C257 L260 I299 K316	C257-F322 HydrophobicContact CB-CB 4.13Å; C257-F322 PolarHBondContact N-O 2.73Å; L260-F322 HydrophobicContact CB-CB 4.24Å; L260-F322 HydrophobicContact CB-CG 4.4Å; L260-F322 HydrophobicContact CD2-CB 4.22Å; L260-F322 HydrophobicContact CD2-CD1 3.9Å; L260-F322 HydrophobicContact CD2-CG 4.13Å; I299-F322 HydrophobicContact CD1-CD1 3.88Å; I299-F322 HydrophobicContact CD1-CE1 3.68Å; K316-F322 HydrophobicContact CB-CD1 4.42Å; K316-F322 HydrophobicContact CB-CE1 4.45Å; K316-F322 HydrophobicContact CD-CE1 4.2Å; K316-F322 HydrophobicContact CD-CZ 4.22Å; K316-F322 HydrophobicContact CG-CD1 4.44Å; K316-F322 HydrophobicContact CG-CE1 4.41Å
323	H	98.6	Very high	98	Very high	14 Å²	14	37 Å²	37	7%	0.065	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.1	176	-75.6	-108.6	0	0	0	109.7	D254 Y255 T256 N314 Y315 D317	D254-H323 IonicContact OD1-CE1 3.26Å; D254-H323 IonicContact OD1-CG 2.61Å; D254-H323 IonicContact OD1-ND1 3.47Å; D254-H323 PolarHBondContact OD1-ND1 3.31Å; Y255-H323 CarbonylContact O-C 3.56Å; Y255-H323 WeakPolarHBondContact O-CA 3.44Å; T256-H323 PolarHBondContact OG1-CE1 2.86Å; N314-H323 CarbonylContact C-O 3.53Å; N314-H323 WeakPolarHBondContact CA-O 3.25Å; Y315-H323 HydrophobicContact CD1-CB 3.56Å; Y315-H323 HydrophobicContact CD2-CB 4.29Å; Y315-H323 HydrophobicContact CE1-CB 3.2Å; Y315-H323 AromaticContact CE1-CG 3.76Å; Y315-H323 HydrophobicContact CE2-CB 3.95Å; Y315-H323 AromaticContact CE2-CD2 3.92Å; Y315-H323 AromaticContact CE2-CG 3.87Å; Y315-H323 HydrophobicContact CG-CB 4.11Å; Y315-H323 AromaticContact CZ-CD2 3.9Å; Y315-H323 AromaticContact CZ-CG 3.4Å; Y315-H323 AromaticContact CZ-ND1 3.7Å; Y315-H323 PolarHBondContact N-O 2.97Å; Y315-H323 PolarHBondContact O-N 3.05Å; Y315-H323 PolarHBondContact OH-ND1 2.8Å; D317-H323 IonicContact OD2-NE2 2.63Å; D317-H323 PolarHBondContact OD2-NE2 3.15Å
324	Q	98.7	Very high	97.8	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.3	170.6	-175.7	166.6	91.3	0	0	109.5	A218 Y255 H264 C266 Y312 Y313 N314	A218-Q324 HydrophobicContact CB-CB 4.48Å; Y255-Q324 PolarHBondContact N-O 2.02Å; Y255-Q324 PolarHBondContact O-N 2.97Å; H264-Q324 PolarHBondContact O-NE2 3.18Å; C266-Q324 HydrophobicContact CB-CB 3.7Å; C266-Q324 HydrophobicContact CB-CG 4.27Å; Y312-Q324 HydrophobicContact CD2-CG 4.1Å; Y313-Q324 WeakPolarHBondContact O-CA 3.16Å; N314-Q324 WeakPolarHBondContact OD1-CB 3.34Å; N314-Q324 VanDerWaalsContact OD1-CG 3.27Å; N314-Q324 WeakPolarHBondContact OD1-CG 3.44Å; N314-Q324 PolarHBondContact OD1-NE2 2.62Å
325	V	98.8	Very high	97.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.6	-177.8	-174.4	0	0	0	0	109.3	Y253 D254 I291 Y312 Y313 Y315	Y253-V325 CarbonylContact O-C 3.56Å; Y253-V325 VanDerWaalsContact O-CA 3.25Å; Y253-V325 WeakPolarHBondContact O-CA 3.32Å; D254-V325 HydrophobicContact CB-CG2 3.99Å; I291-V325 HydrophobicContact CD1-CG1 4.48Å; I291-V325 HydrophobicContact CG1-CG1 4.08Å; Y312-V325 CarbonylContact C-O 3.56Å; Y312-V325 WeakPolarHBondContact CA-O 3.01Å; Y312-V325 VanDerWaalsContact CB-O 3.25Å; Y312-V325 WeakPolarHBondContact CB-O 3.37Å; Y313-V325 HydrophobicContact CD1-CB 4.1Å; Y313-V325 HydrophobicContact CD2-CB 4.3Å; Y313-V325 HydrophobicContact CD2-CG2 4.29Å; Y313-V325 HydrophobicContact CE1-CB 3.66Å; Y313-V325 HydrophobicContact CE1-CG1 3.76Å; Y313-V325 HydrophobicContact CE1-CG2 4.24Å; Y313-V325 HydrophobicContact CE2-CB 3.88Å; Y313-V325 HydrophobicContact CE2-CG2 3.61Å; Y313-V325 HydrophobicContact CG-CB 4.41Å; Y313-V325 PolarHBondContact N-O 2.78Å; Y313-V325 PolarHBondContact O-N 2.96Å; Y315-V325 HydrophobicContact CD1-CG2 3.96Å; Y315-V325 HydrophobicContact CE1-CG2 3.67Å
326	W	98.9	Very high	97.6	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.2	176.7	-73.4	89.4	0	0	0	110.8	A219 A220 G252 Y253 D305 Q308 A310 Y312	A219-W326 VanDerWaalsContact C-CG 3.47Å; A219-W326 WeakPolarHBondContact O-CB 3.38Å; A219-W326 VanDerWaalsContact O-CG 3.27Å; A220-W326 HydrophobicContact CB-CD2 4.44Å; A220-W326 HydrophobicContact CB-CE3 3.7Å; A220-W326 HydrophobicContact CB-CZ3 4.16Å; G252-W326 CarbonylContact C-O 3.46Å; G252-W326 WeakPolarHBondContact CA-O 3.41Å; Y253-W326 PolarHBondContact N-O 2.96Å; Y253-W326 PolarHBondContact O-N 2.9Å; D305-W326 HydrophobicContact CB-CH2 3.56Å; D305-W326 HydrophobicContact CB-CZ3 3.59Å; Q308-W326 VanDerWaalsContact NE2-CH2 3.3Å; A310-W326 HydrophobicContact CB-CE3 4.29Å; A310-W326 HydrophobicContact CB-CZ3 4.35Å; Y312-W326 HydrophobicContact CD1-CE3 4.27Å; Y312-W326 AromaticContact CD1-CH2 3.57Å; Y312-W326 HydrophobicContact CD1-CH2 3.57Å; Y312-W326 AromaticContact CD1-CZ2 3.95Å; Y312-W326 HydrophobicContact CD1-CZ2 3.95Å; Y312-W326 AromaticContact CD1-CZ3 3.74Å; Y312-W326 HydrophobicContact CD1-CZ3 3.74Å; Y312-W326 HydrophobicContact CE1-CH2 4.09Å; Y312-W326 HydrophobicContact CE1-CZ2 4.49Å; Y312-W326 HydrophobicContact CG-CD2 4.28Å; Y312-W326 HydrophobicContact CG-CE3 4.33Å; Y312-W326 HydrophobicContact CG-CH2 4.05Å; Y312-W326 AromaticContact CG-CZ2 3.98Å; Y312-W326 HydrophobicContact CG-CZ2 3.98Å; Y312-W326 HydrophobicContact CG-CZ3 4.22Å
327	Y	98.8	Very high	97.5	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.016	20%	0.201	C	C	.	.			trans	-156.5	174.7	-176.3	64.7	-76.8	0	0	0	112.1	Y288 I291 M292 I295 N302 P311 Y313 N329	Y288-Y327 HydrophobicContact CD2-CD2 4.09Å; Y288-Y327 AromaticContact CE2-CD2 3.83Å; Y288-Y327 HydrophobicContact CE2-CD2 3.83Å; Y288-Y327 AromaticContact CE2-CE2 3.95Å; Y288-Y327 HydrophobicContact CE2-CE2 3.95Å; I291-Y327 HydrophobicContact CD1-CG 4.2Å; I291-Y327 HydrophobicContact CG2-CD1 3.61Å; I291-Y327 HydrophobicContact CG2-CD2 3.84Å; I291-Y327 HydrophobicContact CG2-CE1 3.79Å; I291-Y327 HydrophobicContact CG2-CE2 4.02Å; I291-Y327 HydrophobicContact CG2-CG 3.65Å; M292-Y327 HydrophobicContact CE-CD2 4.05Å; M292-Y327 HydrophobicContact CE-CE2 3.31Å; I295-Y327 HydrophobicContact CD1-CE1 4.41Å; I295-Y327 WeakPolarHBondContact CD1-OH 3.39Å; N302-Y327 PolarHBondContact OD1-OH 2.74Å; P311-Y327 HydrophobicContact CB-CD1 4.36Å; P311-Y327 HydrophobicContact CB-CE1 3.74Å; P311-Y327 HydrophobicContact CB-CE2 4.08Å; P311-Y327 WeakPolarHBondContact CD-O 3.45Å; P311-Y327 HydrophobicContact CG-CD1 4.02Å; P311-Y327 HydrophobicContact CG-CD2 3.75Å; P311-Y327 HydrophobicContact CG-CE1 3.8Å; P311-Y327 HydrophobicContact CG-CE2 3.53Å; P311-Y327 HydrophobicContact CG-CG 3.98Å; P311-Y327 VanDerWaalsContact CG-O 3.23Å; P311-Y327 WeakPolarHBondContact CG-O 3.03Å; P311-Y327 PolarHBondContact O-N 2.9Å; Y313-Y327 HydrophobicContact CD1-CE1 4.01Å; Y313-Y327 HydrophobicContact CE1-CE1 4.31Å; Y327-N329 HydrophobicContact CD2-CB 4.43Å; Y327-N329 HydrophobicContact CE2-CB 3.95Å
328	D	98.8	Very high	97.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	21%	0.21	C	C	.	.			trans	-104.3	144.2	167.6	-93.1	-96	0	0	0	110	P249 Y288 S332 I333 K336	P249-D328 HydrophobicContact CG-CB 4.26Å; P249-D328 WeakPolarHBondContact CG-OD2 3.15Å; Y288-D328 WeakPolarHBondContact CD2-O 3.4Å; Y288-D328 VanDerWaalsContact CE2-O 3.25Å; Y288-D328 WeakPolarHBondContact CE2-O 3.32Å; D328-S332 WeakPolarHBondContact OD1-CB 3.02Å; D328-S332 PolarHBondContact OD1-OG 3.1Å; D328-I333 HydrophobicContact CB-CD1 4.26Å; D328-I333 HydrophobicContact CB-CG1 4.03Å; D328-K336 IonicContact OD1-NZ 3.02Å; D328-K336 PolarHBondContact OD1-NZ 3.25Å; D328-K336 IonicContact OD2-NZ 3.36Å; D328-K336 PolarHBondContact OD2-NZ 2.97Å
329	N	98.2	Very high	97.1	Very high	18 Å²	18	28.9 Å²	28.9	10%	0.096	17%	0.167	C	C	.	.			trans	-128	176.4	177.9	72.7	-1.5	0	0	0	110.1	Y288 P311 Y327 H331 S332 I333	Y288-N329 HydrophobicContact CE2-CB 4.43Å; P311-N329 HydrophobicContact CG-CB 4.01Å; Y327-N329 HydrophobicContact CD2-CB 4.43Å; Y327-N329 HydrophobicContact CE2-CB 3.95Å; N329-H331 PolarHBondContact O-N 3.41Å; N329-H331 VanDerWaalsContact O-N 3.14Å; N329-H331 WeakPolarHBondContact OD1-CB 3.22Å; N329-H331 PolarHBondContact OD1-N 2.84Å; N329-S332 PolarHBondContact N-OG 3.29Å; N329-S332 PolarHBondContact O-N 3.28Å; N329-S332 PolarHBondContact O-OG 2.88Å; N329-S332 VanDerWaalsContact O-OG 3.04Å; N329-S332 PolarHBondContact OD1-N 3.25Å; N329-S332 PolarHBondContact OD1-OG 3.33Å; N329-I333 WeakPolarHBondContact O-CG1 3.25Å; N329-I333 PolarHBondContact O-N 2.88Å
330	P	98	Very high	97	Very high	21 Å²	21	25.5 Å²	25.5	14%	0.136	14%	0.138	C	C	.	.	H	α-helix	trans	-53.9	-38.5	179.7	-28.9	37.1	0	0	0	113.1	S334 E370 M371 V374	P330-S334 VanDerWaalsContact O-CB 3.28Å; P330-S334 WeakPolarHBondContact O-CB 3.48Å; P330-S334 PolarHBondContact O-N 3.33Å; P330-S334 PolarHBondContact O-OG 2.84Å; P330-E370 HydrophobicContact CB-CB 4.19Å; P330-E370 HydrophobicContact CG-CB 3.63Å; P330-M371 VanDerWaalsContact CD-SD 3.54Å; P330-M371 HydrophobicContact CG-CG 4.28Å; P330-M371 HydrophobicContact CG-SD 3.78Å; P330-V374 HydrophobicContact CB-CG1 3.7Å; P330-V374 WeakPolarHBondContact O-CG1 3.28Å
331	H	97.6	Very high	96.6	Very high	98 Å²	98	27.3 Å²	27.3	45%	0.454	14%	0.138	S	C	.	.	H	α-helix	trans	-64.2	-54.3	179	-175.4	47.3	0	0	0	112.9	W304 N329 I333 S334 L335	W304-H331 AromaticContact CH2-CD2 3.32Å; W304-H331 WeakPolarHBondContact CH2-CD2 3.29Å; W304-H331 AromaticContact CZ2-CD2 3.61Å; W304-H331 AromaticContact CZ2-NE2 3.84Å; W304-H331 AromaticContact CZ3-CD2 3.67Å; N329-H331 PolarHBondContact O-N 3.41Å; N329-H331 VanDerWaalsContact O-N 3.14Å; N329-H331 WeakPolarHBondContact OD1-CB 3.22Å; N329-H331 PolarHBondContact OD1-N 2.84Å; H331-I333 PolarHBondContact O-N 3.45Å; H331-S334 PolarHBondContact O-N 3.46Å; H331-S334 PolarHBondContact O-OG 3.24Å; H331-L335 WeakPolarHBondContact O-CG 3.42Å; H331-L335 PolarHBondContact O-N 3.39Å
332	S	98.3	Very high	96.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.3	-40.3	178.8	41.7	0	0	0	0	112.7	Q309 D328 N329 L335 K336	Q309-S332 VanDerWaalsContact O-CB 3.24Å; Q309-S332 WeakPolarHBondContact O-CB 3.3Å; D328-S332 WeakPolarHBondContact OD1-CB 3.02Å; D328-S332 PolarHBondContact OD1-OG 3.1Å; N329-S332 PolarHBondContact N-OG 3.29Å; N329-S332 PolarHBondContact O-N 3.28Å; N329-S332 PolarHBondContact O-OG 2.88Å; N329-S332 VanDerWaalsContact O-OG 3.04Å; N329-S332 PolarHBondContact OD1-N 3.25Å; N329-S332 PolarHBondContact OD1-OG 3.33Å; S332-L335 PolarHBondContact O-N 3.46Å; S332-K336 PolarHBondContact O-N 3.03Å
333	I	98.1	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-41.8	174.3	-65.8	172.9	0	0	0	111	V248 D328 N329 H331 L335 K336 A337 I348 M371 V374	V248-I333 HydrophobicContact CB-CG1 4.5Å; V248-I333 HydrophobicContact CG2-CD1 4.29Å; V248-I333 HydrophobicContact CG2-CG2 4.43Å; D328-I333 HydrophobicContact CB-CD1 4.26Å; D328-I333 HydrophobicContact CB-CG1 4.03Å; N329-I333 WeakPolarHBondContact O-CG1 3.25Å; N329-I333 PolarHBondContact O-N 2.88Å; H331-I333 PolarHBondContact O-N 3.45Å; I333-L335 VanDerWaalsContact C-N 3.27Å; I333-L335 PolarHBondContact O-N 3.32Å; I333-K336 WeakPolarHBondContact O-CB 3.43Å; I333-K336 PolarHBondContact O-N 2.93Å; I333-K336 VanDerWaalsContact O-N 3.12Å; I333-A337 WeakPolarHBondContact O-CB 3.49Å; I333-A337 PolarHBondContact O-N 3.45Å; I333-I348 HydrophobicContact CG2-CD1 4.3Å; I333-M371 HydrophobicContact CD1-CE 3.52Å; I333-M371 HydrophobicContact CD1-SD 4.14Å; I333-V374 HydrophobicContact CB-CG2 3.99Å; I333-V374 HydrophobicContact CD1-CG2 4.5Å; I333-V374 HydrophobicContact CG2-CB 4.14Å; I333-V374 HydrophobicContact CG2-CG2 3.61Å
334	S	96.1	Very high	95.9	Very high	40 Å²	40	29.8 Å²	29.8	28%	0.28	16%	0.156	S	C	.	.	H	α-helix	trans	-61.1	-34.6	178.7	75.4	0	0	0	0	113.2	P330 H331 A337 T338	P330-S334 VanDerWaalsContact O-CB 3.28Å; P330-S334 WeakPolarHBondContact O-CB 3.48Å; P330-S334 PolarHBondContact O-N 3.33Å; P330-S334 PolarHBondContact O-OG 2.84Å; H331-S334 PolarHBondContact O-N 3.46Å; H331-S334 PolarHBondContact O-OG 3.24Å; S334-A337 PolarHBondContact O-N 3.38Å; S334-T338 PolarHBondContact O-N 3.37Å; S334-T338 VanDerWaalsContact O-N 3.13Å; S334-T338 PolarHBondContact O-OG1 2.86Å; S334-T338 VanDerWaalsContact O-OG1 3.05Å
335	L	95.3	Very high	95.9	Very high	42 Å²	42	29.7 Å²	29.7	22%	0.22	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-45.2	174.9	-63.9	172.6	0	0	0	110.7	Y224 W304 Q309 H331 S332 I333 T338	Y224-L335 HydrophobicContact CD2-CB 3.96Å; Y224-L335 HydrophobicContact CE2-CB 3.8Å; W304-L335 HydrophobicContact CH2-CD1 4.24Å; W304-L335 HydrophobicContact CZ2-CD1 4.09Å; Q309-L335 HydrophobicContact CB-CD1 3.97Å; Q309-L335 HydrophobicContact CG-CD1 4.36Å; H331-L335 WeakPolarHBondContact O-CG 3.42Å; H331-L335 PolarHBondContact O-N 3.39Å; S332-L335 PolarHBondContact O-N 3.46Å; I333-L335 VanDerWaalsContact C-N 3.27Å; I333-L335 PolarHBondContact O-N 3.32Å; L335-T338 WeakPolarHBondContact O-CB 3Å; L335-T338 PolarHBondContact O-N 3.09Å
336	K	96.4	Very high	95.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-41.6	176.2	-64.9	170.3	179.9	168.5	0	111.5	A222 Y224 T227 M246 D328 S332 I333 T338 Y339	A222-K336 VanDerWaalsContact CB-NZ 3.27Å; A222-K336 VanDerWaalsContact O-CE 3.25Å; A222-K336 WeakPolarHBondContact O-CE 3.22Å; A222-K336 PolarHBondContact O-NZ 2.87Å; Y224-K336 HydrophobicContact CD2-CG 3.93Å; T227-K336 HydrophobicContact CG2-CD 4.38Å; M246-K336 HydrophobicContact SD-CB 3.86Å; D328-K336 IonicContact OD1-NZ 3.02Å; D328-K336 PolarHBondContact OD1-NZ 3.25Å; D328-K336 IonicContact OD2-NZ 3.36Å; D328-K336 PolarHBondContact OD2-NZ 2.97Å; S332-K336 PolarHBondContact O-N 3.03Å; I333-K336 WeakPolarHBondContact O-CB 3.43Å; I333-K336 PolarHBondContact O-N 2.93Å; I333-K336 VanDerWaalsContact O-N 3.12Å; K336-T338 PolarHBondContact O-N 2.66Å; K336-Y339 VanDerWaalsContact O-CB 3.25Å; K336-Y339 WeakPolarHBondContact O-CB 3.42Å; K336-Y339 PolarHBondContact O-N 3.04Å
337	A	94.2	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-25	179.2	0	0	0	0	0	113.1	I333 S334 Y339 I340 Q341 I348 P377	I333-A337 WeakPolarHBondContact O-CB 3.49Å; I333-A337 PolarHBondContact O-N 3.45Å; S334-A337 PolarHBondContact O-N 3.38Å; A337-Y339 VanDerWaalsContact C-N 3.31Å; A337-Y339 PolarHBondContact O-N 3.47Å; A337-I340 WeakPolarHBondContact O-CB 3.27Å; A337-I340 PolarHBondContact O-N 3.44Å; A337-Q341 PolarHBondContact O-N 3.24Å; A337-I348 HydrophobicContact CB-CD1 4.36Å; A337-P377 HydrophobicContact CB-CG 3.79Å
338	T	92.6	Very high	95.7	Very high	62 Å²	62	31.2 Å²	31.2	38%	0.38	16%	0.161	S	C	.	.	H	α-helix	trans	-65	-34.6	171.8	-58.8	0	0	0	0	112	S334 L335 K336 I340 Q341 N342	S334-T338 PolarHBondContact O-N 3.37Å; S334-T338 VanDerWaalsContact O-N 3.13Å; S334-T338 PolarHBondContact O-OG1 2.86Å; S334-T338 VanDerWaalsContact O-OG1 3.05Å; L335-T338 WeakPolarHBondContact O-CB 3Å; L335-T338 PolarHBondContact O-N 3.09Å; K336-T338 PolarHBondContact O-N 2.66Å; T338-I340 VanDerWaalsContact C-N 3.32Å; T338-I340 PolarHBondContact O-N 3.3Å; T338-Q341 PolarHBondContact O-N 3.37Å; T338-N342 PolarHBondContact O-N 3.3Å; T338-N342 VanDerWaalsContact O-N 3.12Å; T338-N342 PolarHBondContact O-ND2 2.62Å
339	Y	93.4	Very high	95.7	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.035	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-40.8	175.3	-178.8	-87.8	0	0	0	111.4	L228 Y231 N232 M246 K336 A337 Q341 N342 Y343 L345	L228-Y339 HydrophobicContact CB-CD2 4.35Å; L228-Y339 HydrophobicContact CB-CE2 4.38Å; L228-Y339 HydrophobicContact CD1-CD2 3.67Å; L228-Y339 HydrophobicContact CD1-CE2 4.39Å; L228-Y339 HydrophobicContact CD1-CG 4.22Å; L228-Y339 HydrophobicContact CD2-CD1 4.02Å; L228-Y339 HydrophobicContact CD2-CD2 3.66Å; L228-Y339 HydrophobicContact CD2-CE2 4.32Å; L228-Y339 HydrophobicContact CD2-CG 3.47Å; L228-Y339 VanDerWaalsContact CD2-CG 3.47Å; L228-Y339 HydrophobicContact CG-CD2 4.08Å; L228-Y339 HydrophobicContact CG-CG 4.38Å; Y231-Y339 HydrophobicContact CG-CE1 4.12Å; N232-Y339 PolarHBondContact OD1-OH 3.03Å; M246-Y339 HydrophobicContact CE-CD1 3.93Å; K336-Y339 VanDerWaalsContact O-CB 3.25Å; K336-Y339 WeakPolarHBondContact O-CB 3.42Å; K336-Y339 PolarHBondContact O-N 3.04Å; A337-Y339 VanDerWaalsContact C-N 3.31Å; A337-Y339 PolarHBondContact O-N 3.47Å; Y339-Q341 VanDerWaalsContact C-N 3.26Å; Y339-Q341 PolarHBondContact O-N 3.44Å; Y339-N342 PolarHBondContact O-N 3.01Å; Y339-Y343 HydrophobicContact CD1-CD2 4.12Å; Y339-Y343 AromaticContact CD2-CD2 3.4Å; Y339-Y343 HydrophobicContact CD2-CD2 3.4Å; Y339-Y343 VanDerWaalsContact CD2-CD2 3.4Å; Y339-Y343 AromaticContact CD2-CE2 3.44Å; Y339-Y343 HydrophobicContact CD2-CE2 3.44Å; Y339-Y343 VanDerWaalsContact CD2-CE2 3.44Å; Y339-Y343 HydrophobicContact CD2-CG 4.36Å; Y339-Y343 HydrophobicContact CE1-CD2 4Å; Y339-Y343 HydrophobicContact CE1-CG 4.08Å; Y339-Y343 HydrophobicContact CE2-CD1 4.41Å; Y339-Y343 AromaticContact CE2-CD2 3.31Å; Y339-Y343 HydrophobicContact CE2-CD2 3.31Å; Y339-Y343 HydrophobicContact CE2-CE1 4.37Å; Y339-Y343 AromaticContact CE2-CE2 3.27Å; Y339-Y343 HydrophobicContact CE2-CE2 3.27Å; Y339-Y343 AromaticContact CE2-CG 3.91Å; Y339-Y343 HydrophobicContact CE2-CG 3.91Å; Y339-Y343 AromaticContact CE2-CZ 3.83Å; Y339-Y343 AromaticContact CG-CD2 3.83Å; Y339-Y343 HydrophobicContact CG-CD2 3.83Å; Y339-Y343 HydrophobicContact CG-CE2 4.3Å; Y339-Y343 AromaticContact CZ-CD2 3.62Å; Y339-Y343 AromaticContact CZ-CE2 3.99Å; Y339-Y343 AromaticContact CZ-CG 3.75Å; Y339-Y343 WeakPolarHBondContact O-CD2 3.15Å; Y339-Y343 PolarHBondContact O-N 3.09Å; Y339-L345 HydrophobicContact CD1-CD1 4.08Å; Y339-L345 HydrophobicContact CD1-CG 4.44Å; Y339-L345 HydrophobicContact CE1-CD1 4.08Å; Y339-L345 HydrophobicContact CE1-CD2 4.28Å; Y339-L345 HydrophobicContact CE1-CG 4.37Å
340	I	93.6	Very high	95.7	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-53.5	-46.3	177.9	-61	177.1	0	0	0	110.9	F55 M246 A337 T338 G344 L345 I348	F55-I340 HydrophobicContact CE2-CG2 3.55Å; F55-I340 HydrophobicContact CZ-CG2 4.1Å; M246-I340 HydrophobicContact CB-CD1 3.82Å; M246-I340 HydrophobicContact CB-CG1 4.1Å; M246-I340 HydrophobicContact CE-CG1 3.9Å; M246-I340 HydrophobicContact CG-CD1 4.28Å; M246-I340 HydrophobicContact SD-CD1 3.75Å; M246-I340 HydrophobicContact SD-CG1 3.77Å; A337-I340 WeakPolarHBondContact O-CB 3.27Å; A337-I340 PolarHBondContact O-N 3.44Å; T338-I340 VanDerWaalsContact C-N 3.32Å; T338-I340 PolarHBondContact O-N 3.3Å; I340-G344 WeakPolarHBondContact O-CA 3.46Å; I340-G344 PolarHBondContact O-N 3.45Å; I340-L345 HydrophobicContact CG1-CD1 4.18Å; I340-L345 HydrophobicContact CG2-CB 4.04Å; I340-L345 PolarHBondContact O-N 2.7Å; I340-I348 HydrophobicContact CD1-CB 3.6Å; I340-I348 HydrophobicContact CD1-CD1 3.75Å; I340-I348 HydrophobicContact CD1-CG1 3.76Å
341	Q	88.3	Confident	95.8	Very high	70 Å²	70	31.8 Å²	31.8	33%	0.327	16%	0.159	S	C	.	.	H	α-helix	trans	-68	-46.2	178.9	-65	-177.7	-22.2	0	0	112.1	A337 T338 Y339 Y343 G344 P377	A337-Q341 PolarHBondContact O-N 3.24Å; T338-Q341 PolarHBondContact O-N 3.37Å; Y339-Q341 VanDerWaalsContact C-N 3.26Å; Y339-Q341 PolarHBondContact O-N 3.44Å; Q341-Y343 VanDerWaalsContact C-N 3.33Å; Q341-Y343 PolarHBondContact O-N 3.23Å; Q341-G344 PolarHBondContact O-N 2.9Å; Q341-P377 HydrophobicContact CG-CG 4.24Å; Q341-P377 PolarHBondContact NE2-O 3.35Å
342	N	91.7	Very high	95.8	Very high	97 Å²	97	27.8 Å²	27.8	52%	0.519	14%	0.141	S	C	.	.	H	α-helix	trans	-66.1	-34	-175.6	-74.2	-25.8	0	0	0	113.3	T338 Y339	T338-N342 PolarHBondContact O-N 3.3Å; T338-N342 VanDerWaalsContact O-N 3.12Å; T338-N342 PolarHBondContact O-ND2 2.62Å; Y339-N342 PolarHBondContact O-N 3.01Å
343	Y	94.3	Very high	95.8	Very high	121 Å²	121	27.8 Å²	27.8	48%	0.475	14%	0.141	S	C	.	.	H	α-helix	trans	-104.1	-0.9	-178.4	-69.9	-94	0	0	0	113.2	P241 Y339 Q341	P241-Y343 VanDerWaalsContact CB-O 3.23Å; P241-Y343 WeakPolarHBondContact CB-O 3.01Å; Y339-Y343 HydrophobicContact CD1-CD2 4.12Å; Y339-Y343 AromaticContact CD2-CD2 3.4Å; Y339-Y343 HydrophobicContact CD2-CD2 3.4Å; Y339-Y343 VanDerWaalsContact CD2-CD2 3.4Å; Y339-Y343 AromaticContact CD2-CE2 3.44Å; Y339-Y343 HydrophobicContact CD2-CE2 3.44Å; Y339-Y343 VanDerWaalsContact CD2-CE2 3.44Å; Y339-Y343 HydrophobicContact CD2-CG 4.36Å; Y339-Y343 HydrophobicContact CE1-CD2 4Å; Y339-Y343 HydrophobicContact CE1-CG 4.08Å; Y339-Y343 HydrophobicContact CE2-CD1 4.41Å; Y339-Y343 AromaticContact CE2-CD2 3.31Å; Y339-Y343 HydrophobicContact CE2-CD2 3.31Å; Y339-Y343 HydrophobicContact CE2-CE1 4.37Å; Y339-Y343 AromaticContact CE2-CE2 3.27Å; Y339-Y343 HydrophobicContact CE2-CE2 3.27Å; Y339-Y343 AromaticContact CE2-CG 3.91Å; Y339-Y343 HydrophobicContact CE2-CG 3.91Å; Y339-Y343 AromaticContact CE2-CZ 3.83Å; Y339-Y343 AromaticContact CG-CD2 3.83Å; Y339-Y343 HydrophobicContact CG-CD2 3.83Å; Y339-Y343 HydrophobicContact CG-CE2 4.3Å; Y339-Y343 AromaticContact CZ-CD2 3.62Å; Y339-Y343 AromaticContact CZ-CE2 3.99Å; Y339-Y343 AromaticContact CZ-CG 3.75Å; Y339-Y343 WeakPolarHBondContact O-CD2 3.15Å; Y339-Y343 PolarHBondContact O-N 3.09Å; Q341-Y343 VanDerWaalsContact C-N 3.33Å; Q341-Y343 PolarHBondContact O-N 3.23Å
344	G	94.7	Very high	95.7	Very high	24 Å²	24	28.2 Å²	28.2	25%	0.247	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	39.5	175.4	0	0	0	0	0	113.7	K242 I340 Q341	K242-G344 VanDerWaalsContact CD-O 3.29Å; K242-G344 WeakPolarHBondContact CD-O 3.47Å; K242-G344 WeakPolarHBondContact CE-O 3.12Å; K242-G344 PolarHBondContact NZ-O 2.94Å; I340-G344 WeakPolarHBondContact O-CA 3.46Å; I340-G344 PolarHBondContact O-N 3.45Å; Q341-G344 PolarHBondContact O-N 2.9Å
345	L	97.5	Very high	95.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	13%	0.132	C	C	.	.			trans	-60.1	164.3	176.3	-50	-169.3	0	0	0	111.1	Y231 I235 P241 L244 M246 Y339 I340 G347	Y231-L345 HydrophobicContact CD1-CD1 3.59Å; Y231-L345 HydrophobicContact CE1-CD1 3.86Å; Y231-L345 HydrophobicContact CG-CD1 4.25Å; I235-L345 HydrophobicContact CD1-CD2 4.31Å; P241-L345 HydrophobicContact CB-CD2 3.87Å; P241-L345 WeakPolarHBondContact O-CA 3.15Å; L244-L345 HydrophobicContact CB-CD2 4.36Å; L244-L345 HydrophobicContact CD1-CD2 4.44Å; L244-L345 WeakPolarHBondContact O-CB 3.24Å; M246-L345 HydrophobicContact CB-CD1 4.31Å; M246-L345 HydrophobicContact CE-CD1 4.11Å; Y339-L345 HydrophobicContact CD1-CD1 4.08Å; Y339-L345 HydrophobicContact CD1-CG 4.44Å; Y339-L345 HydrophobicContact CE1-CD1 4.08Å; Y339-L345 HydrophobicContact CE1-CD2 4.28Å; Y339-L345 HydrophobicContact CE1-CG 4.37Å; I340-L345 HydrophobicContact CG1-CD1 4.18Å; I340-L345 HydrophobicContact CG2-CB 4.04Å; I340-L345 PolarHBondContact O-N 2.7Å; L345-G347 VanDerWaalsContact C-N 3.32Å; L345-G347 PolarHBondContact O-N 2.83Å
346	R	97.6	Very high	96	Very high	43 Å²	43	24.8 Å²	24.8	16%	0.162	12%	0.122	C	C	.	.	S	Bend	trans	-68.7	-30.8	-177.5	-175.7	51.8	-179.2	-93	-7.2	112.9	F55 E56 F200 P241 K242 L244 V245	F55-R346 WeakPolarHBondContact CA-O 3.48Å; E56-R346 HydrophobicContact CG-CG 3.77Å; E56-R346 PolarHBondContact N-O 3.38Å; E56-R346 IonicContact OE1-CZ 2.64Å; E56-R346 IonicContact OE1-NE 2.97Å; E56-R346 IonicContact OE1-NH2 3.83Å; E56-R346 PolarHBondContact OE1-NH2 2.76Å; F200-R346 HydrophobicContact CB-CG 4.44Å; F200-R346 HydrophobicContact CD1-CG 4.27Å; F200-R346 HydrophobicContact CG-CG 4.41Å; P241-R346 PolarHBondContact O-N 2.91Å; K242-R346 WeakPolarHBondContact O-CB 3.43Å; K242-R346 WeakPolarHBondContact O-CD 3.43Å; L244-R346 VanDerWaalsContact O-CB 3.26Å; L244-R346 WeakPolarHBondContact O-CB 3.37Å; L244-R346 PolarHBondContact O-N 3.2Å; V245-R346 HydrophobicContact CG2-CB 3.89Å; V245-R346 HydrophobicContact CG2-CG 3.93Å
347	G	97.8	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-166.7	-177.8	0	0	0	0	0	113.1	E56 M246 L345	E56-G347 CarbonylContact O-C 3.57Å; E56-G347 WeakPolarHBondContact O-CA 3.42Å; M246-G347 PolarHBondContact N-O 2.96Å; L345-G347 VanDerWaalsContact C-N 3.32Å; L345-G347 PolarHBondContact O-N 2.83Å
348	I	98.4	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	158.9	173.3	-161.9	169.2	0	0	0	109	F55 E56 V57 F58 M246 V248 I333 A337 I340 L375	F55-I348 HydrophobicContact CE1-CG2 4.02Å; F55-I348 HydrophobicContact CZ-CB 4.36Å; F55-I348 HydrophobicContact CZ-CG2 4.1Å; E56-I348 PolarHBondContact O-N 3.49Å; E56-I348 VanDerWaalsContact O-O 3.13Å; V57-I348 VanDerWaalsContact CA-O 3.26Å; V57-I348 WeakPolarHBondContact CA-O 3.41Å; V57-I348 HydrophobicContact CG2-CG2 4.44Å; F58-I348 PolarHBondContact N-O 2.97Å; M246-I348 HydrophobicContact CB-CG1 4.48Å; M246-I348 CarbonylContact O-C 3.54Å; M246-I348 WeakPolarHBondContact O-CA 3.49Å; M246-I348 WeakPolarHBondContact O-CG1 3.36Å; V248-I348 HydrophobicContact CG1-CD1 4.1Å; V248-I348 HydrophobicContact CG1-CG1 4.31Å; V248-I348 HydrophobicContact CG2-CD1 4.37Å; V248-I348 HydrophobicContact CG2-CG1 4.44Å; I333-I348 HydrophobicContact CG2-CD1 4.3Å; A337-I348 HydrophobicContact CB-CD1 4.36Å; I340-I348 HydrophobicContact CD1-CB 3.6Å; I340-I348 HydrophobicContact CD1-CD1 3.75Å; I340-I348 HydrophobicContact CD1-CG1 3.76Å; I348-L375 HydrophobicContact CD1-CD2 3.83Å; I348-L375 HydrophobicContact CG1-CD2 4.19Å; I348-L375 HydrophobicContact CG2-CB 3.75Å; I348-L375 HydrophobicContact CG2-CD2 4.04Å; I348-L375 HydrophobicContact CG2-CG 4.39Å; I348-L375 WeakPolarHBondContact CG2-O 3.1Å
349	G	98.3	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	-179.8	168.4	0	0	0	0	0	111	F58 M246 G247 V248	F58-G349 CarbonylContact O-C 3.43Å; F58-G349 WeakPolarHBondContact O-CA 3.23Å; M246-G349 PolarHBondContact O-N 2.61Å; G247-G349 CarbonylContact C-O 3.57Å; G247-G349 WeakPolarHBondContact CA-O 3.25Å; V248-G349 WeakPolarHBondContact CG2-O 3.41Å; V248-G349 PolarHBondContact N-O 3.48Å
350	M	98.6	Very high	96.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144	-168	76	-47	-53.3	0	0	113.5	V57 F58 V59 F60 V248 W250 A353 L375	V57-M350 HydrophobicContact CG1-CE 4.32Å; F58-M350 WeakPolarHBondContact O-CE 3.47Å; F58-M350 PolarHBondContact O-N 3.48Å; V59-M350 HydrophobicContact CB-CE 4.47Å; V59-M350 HydrophobicContact CB-SD 3.95Å; V59-M350 HydrophobicContact CG1-SD 3.9Å; V59-M350 HydrophobicContact CG2-CE 3.76Å; V59-M350 HydrophobicContact CG2-SD 3.76Å; F60-M350 WeakPolarHBondContact CD2-O 3.35Å; F60-M350 PolarHBondContact N-O 3.21Å; V248-M350 HydrophobicContact CG2-CB 4.01Å; V248-M350 WeakPolarHBondContact O-CA 3.46Å; V248-M350 WeakPolarHBondContact O-CB 3.21Å; W250-M350 HydrophobicContact CD2-CB 3.93Å; W250-M350 HydrophobicContact CD2-CG 3.43Å; W250-M350 VanDerWaalsContact CD2-CG 3.43Å; W250-M350 HydrophobicContact CE3-CG 3.61Å; W250-M350 HydrophobicContact CG-CB 4Å; W250-M350 HydrophobicContact CG-CG 3.98Å; W250-M350 HydrophobicContact CH2-CG 3.95Å; W250-M350 HydrophobicContact CH2-SD 4.48Å; W250-M350 HydrophobicContact CZ2-CB 4.42Å; W250-M350 HydrophobicContact CZ2-CG 3.83Å; W250-M350 HydrophobicContact CZ3-CG 3.85Å; M350-A353 HydrophobicContact SD-CB 4.45Å; M350-L375 HydrophobicContact CE-CD1 3.51Å
351	W	98.5	Very high	96.4	Very high	54 Å²	54	33.5 Å²	33.5	21%	0.205	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.7	162.4	-175.7	-88	0	0	0	109.2	F60 V62 F81 Y206 V248 W250 Y251	F60-W351 HydrophobicContact CB-CE3 3.7Å; F60-W351 HydrophobicContact CB-CZ3 4.09Å; F60-W351 AromaticContact CD1-CE3 3.56Å; F60-W351 HydrophobicContact CD1-CE3 3.56Å; F60-W351 AromaticContact CD1-CZ3 3.49Å; F60-W351 HydrophobicContact CD1-CZ3 3.49Å; F60-W351 VanDerWaalsContact CD1-CZ3 3.49Å; F60-W351 HydrophobicContact CD2-CE3 4.32Å; F60-W351 HydrophobicContact CE1-CE3 4.23Å; F60-W351 HydrophobicContact CE1-CZ3 4.16Å; F60-W351 AromaticContact CG-CE3 3.59Å; F60-W351 HydrophobicContact CG-CE3 3.59Å; F60-W351 AromaticContact CG-CZ3 3.98Å; F60-W351 HydrophobicContact CG-CZ3 3.98Å; V62-W351 HydrophobicContact CG1-CH2 4.27Å; V62-W351 HydrophobicContact CG1-CZ2 4.32Å; F81-W351 AromaticContact CD1-CH2 3.45Å; F81-W351 HydrophobicContact CD1-CH2 3.45Å; F81-W351 VanDerWaalsContact CD1-CH2 3.45Å; F81-W351 AromaticContact CD1-CZ3 3.64Å; F81-W351 HydrophobicContact CD1-CZ3 3.64Å; F81-W351 AromaticContact CE1-CH2 3.64Å; F81-W351 HydrophobicContact CE1-CH2 3.64Å; F81-W351 AromaticContact CE1-CZ3 3.52Å; F81-W351 HydrophobicContact CE1-CZ3 3.52Å; F81-W351 HydrophobicContact CE2-CZ3 4.47Å; F81-W351 HydrophobicContact CG-CH2 4.19Å; F81-W351 HydrophobicContact CG-CZ3 4.14Å; F81-W351 AromaticContact CZ-CZ3 3.99Å; F81-W351 HydrophobicContact CZ-CZ3 3.99Å; Y206-W351 HydrophobicContact CD1-CB 4.44Å; Y206-W351 HydrophobicContact CE1-CB 3.69Å; Y206-W351 HydrophobicContact CE2-CB 4.13Å; Y206-W351 HydrophobicContact CE2-CG 4.44Å; Y206-W351 WeakPolarHBondContact OH-CB 3.4Å; V248-W351 PolarHBondContact O-N 2.93Å; V248-W351 VanDerWaalsContact O-N 3.11Å; W250-W351 PolarHBondContact N-O 2.91Å; Y251-W351 AromaticContact CD1-CD1 3.92Å; Y251-W351 VanDerWaalsContact CD1-O 3.23Å; Y251-W351 WeakPolarHBondContact CD1-O 3.45Å; Y251-W351 HydrophobicContact CE1-CB 4.35Å; Y251-W351 AromaticContact CE1-CD1 3.49Å; Y251-W351 VanDerWaalsContact CE1-CD1 3.49Å; Y251-W351 HydrophobicContact CE1-CG 4.29Å; Y251-W351 WeakPolarHBondContact CE1-O 3.31Å
352	N	98.3	Very high	96.8	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.07	20%	0.198	C	C	.	.			cis	-131.1	166.7	-20.7	62.9	65	0	0	0	109.2	F60 V62 N354 C355	F60-N352 HydrophobicContact CB-CB 3.98Å; F60-N352 WeakPolarHBondContact O-CB 3.45Å; V62-N352 HydrophobicContact CG1-CB 4.3Å; N352-N354 PolarHBondContact O-N 3.44Å; N352-N354 VanDerWaalsContact O-N 3.16Å; N352-N354 VanDerWaalsContact OD1-CB 3.3Å; N352-N354 WeakPolarHBondContact OD1-CB 3.26Å; N352-N354 PolarHBondContact OD1-N 2.97Å; N352-N354 VanDerWaalsContact OD1-N 3.12Å; N352-N354 PolarHBondContact OD1-OD1 3.48Å; N352-C355 WeakPolarHBondContact O-CB 3.49Å; N352-C355 PolarHBondContact O-N 3.31Å; N352-C355 VanDerWaalsContact O-N 3.17Å
353	A	97.8	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-66.8	-19.6	-172.1	0	0	0	0	0	114.2	V59 F60 Y70 W250 M350 C355 Y358 W372	V59-A353 HydrophobicContact CG1-CB 3.53Å; F60-A353 PolarHBondContact O-N 3.44Å; Y70-A353 HydrophobicContact CD1-CB 4.25Å; Y70-A353 HydrophobicContact CD2-CB 4.11Å; Y70-A353 HydrophobicContact CE1-CB 3.69Å; Y70-A353 HydrophobicContact CE2-CB 3.55Å; Y70-A353 HydrophobicContact CG-CB 4.46Å; W250-A353 HydrophobicContact CE3-CB 4.48Å; W250-A353 HydrophobicContact CZ3-CB 4.01Å; M350-A353 HydrophobicContact SD-CB 4.45Å; A353-C355 PolarHBondContact O-N 3.19Å; A353-Y358 VanDerWaalsContact O-CE2 3.25Å; A353-Y358 WeakPolarHBondContact O-CE2 3.3Å; A353-Y358 PolarHBondContact O-OH 2.91Å; A353-W372 HydrophobicContact CB-CH2 4.31Å; A353-W372 HydrophobicContact CB-CZ2 4.26Å
354	N	97.4	Very high	97.1	Very high	9 Å²	9	27.4 Å²	27.4	5%	0.048	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-75	-7.5	178.8	-48.2	78.7	0	0	0	113.2	D61 V62 G63 T66 Y70 K289 N352 L356	D61-N354 PolarHBondContact OD2-ND2 2.82Å; V62-N354 HydrophobicContact CG2-CB 3.85Å; V62-N354 VanDerWaalsContact CG2-CG 3.47Å; V62-N354 VanDerWaalsContact CG2-OD1 3.26Å; V62-N354 WeakPolarHBondContact CG2-OD1 2.98Å; V62-N354 PolarHBondContact N-OD1 3.31Å; G63-N354 PolarHBondContact O-ND2 3.38Å; T66-N354 PolarHBondContact OG1-ND2 3.27Å; Y70-N354 PolarHBondContact OH-ND2 2.91Å; Y70-N354 PolarHBondContact OH-OD1 3.43Å; K289-N354 PolarHBondContact NZ-O 2.89Å; N352-N354 PolarHBondContact O-N 3.44Å; N352-N354 VanDerWaalsContact O-N 3.16Å; N352-N354 VanDerWaalsContact OD1-CB 3.3Å; N352-N354 WeakPolarHBondContact OD1-CB 3.26Å; N352-N354 PolarHBondContact OD1-N 2.97Å; N352-N354 VanDerWaalsContact OD1-N 3.12Å; N352-N354 PolarHBondContact OD1-OD1 3.48Å; N354-L356 VanDerWaalsContact C-N 3.32Å; N354-L356 PolarHBondContact O-N 3.18Å
355	C	98.2	Very high	97.2	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.054	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-77.9	-12.8	-177.9	-65.5	0	0	0	0	114.5	W250 P287 Y288 K289 N352 A353	W250-C355 HydrophobicContact CB-CB 3.96Å; W250-C355 WeakPolarHBondContact O-CB 3.31Å; P287-C355 HydrophobicContact CB-CB 4.03Å; Y288-C355 PolarHBondContact N-O 2.96Å; K289-C355 WeakPolarHBondContact CB-O 3.49Å; K289-C355 WeakPolarHBondContact CG-O 3.3Å; K289-C355 PolarHBondContact N-O 3.39Å; N352-C355 WeakPolarHBondContact O-CB 3.49Å; N352-C355 PolarHBondContact O-N 3.31Å; N352-C355 VanDerWaalsContact O-N 3.17Å; A353-C355 PolarHBondContact O-N 3.19Å
356	L	98.1	Very high	97.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	21%	0.208	C	C	.	.	S	Bend	trans	-86.8	166.1	177.2	-54.5	-174.1	0	0	0	112.9	W250 Y288 K289 N354 Y358 T368 M371	W250-L356 HydrophobicContact CD2-CD1 4.21Å; W250-L356 HydrophobicContact CD2-CD2 4.15Å; W250-L356 HydrophobicContact CD2-CG 4.16Å; W250-L356 HydrophobicContact CE3-CD1 3.56Å; W250-L356 HydrophobicContact CE3-CD2 3.97Å; W250-L356 HydrophobicContact CE3-CG 3.48Å; W250-L356 VanDerWaalsContact CE3-CG 3.48Å; W250-L356 HydrophobicContact CG-CD2 4.45Å; W250-L356 HydrophobicContact CH2-CD1 3.67Å; W250-L356 HydrophobicContact CZ2-CD1 4.26Å; W250-L356 HydrophobicContact CZ3-CD1 3.27Å; W250-L356 HydrophobicContact CZ3-CG 3.7Å; Y288-L356 HydrophobicContact CD1-CD2 3.66Å; Y288-L356 HydrophobicContact CE1-CD2 4.46Å; Y288-L356 HydrophobicContact CG-CD2 4.1Å; K289-L356 WeakPolarHBondContact CD-O 3.15Å; N354-L356 VanDerWaalsContact C-N 3.32Å; N354-L356 PolarHBondContact O-N 3.18Å; L356-Y358 HydrophobicContact CB-CE2 3.84Å; L356-T368 HydrophobicContact CB-CG2 4.24Å; L356-T368 HydrophobicContact CD1-CG2 3.91Å; L356-M371 HydrophobicContact CD1-CB 3.83Å; L356-M371 HydrophobicContact CD2-CB 4.09Å; L356-M371 HydrophobicContact CD2-CE 4.4Å; L356-M371 HydrophobicContact CD2-CG 3.96Å
357	D	97.4	Very high	97.2	Very high	19 Å²	19	36 Å²	36	10%	0.102	21%	0.209	C	C	.	.			trans	-101.6	98	178.9	-162.4	-35.7	0	0	0	111.1	K289 K293 S359 A364 T368	K289-D357 HydrophobicContact CB-CB 3.71Å; K293-D357 WeakPolarHBondContact CE-OD2 3.22Å; K293-D357 IonicContact NZ-OD2 3.67Å; K293-D357 PolarHBondContact NZ-OD2 3.34Å; D357-S359 PolarHBondContact O-N 2.87Å; D357-S359 WeakPolarHBondContact OD1-CB 3.5Å; D357-S359 PolarHBondContact OD1-N 2.76Å; D357-S359 PolarHBondContact OD1-OG 3.39Å; D357-A364 HydrophobicContact CB-CB 3.92Å; D357-T368 PolarHBondContact O-OG1 3.4Å
358	Y	96.8	Very high	97.2	Very high	41 Å²	41	36.6 Å²	36.6	16%	0.161	21%	0.213	C	C	.	.			trans	-87.3	21.7	179.2	-58.8	-81.8	0	0	0	113.7	T66 S69 Y70 A353 L356 T368 W372	T66-Y358 HydrophobicContact CG2-CD2 4.21Å; S69-Y358 VanDerWaalsContact CB-CD1 3.42Å; S69-Y358 WeakPolarHBondContact O-CD1 3.4Å; S69-Y358 WeakPolarHBondContact O-CE1 3.19Å; Y70-Y358 AromaticContact CD1-CE1 3.84Å; Y70-Y358 HydrophobicContact CD1-CE1 3.84Å; Y70-Y358 HydrophobicContact CD1-CE2 4.03Å; Y70-Y358 AromaticContact CD1-CZ 3.44Å; Y70-Y358 VanDerWaalsContact CD1-CZ 3.44Å; Y70-Y358 VanDerWaalsContact CD1-OH 3.23Å; Y70-Y358 WeakPolarHBondContact CD1-OH 3.28Å; Y70-Y358 HydrophobicContact CE1-CE1 4.37Å; Y70-Y358 AromaticContact CE1-CE2 3.72Å; Y70-Y358 HydrophobicContact CE1-CE2 3.72Å; Y70-Y358 AromaticContact CE1-CZ 3.57Å; Y70-Y358 WeakPolarHBondContact CE1-OH 3.33Å; A353-Y358 VanDerWaalsContact O-CE2 3.25Å; A353-Y358 WeakPolarHBondContact O-CE2 3.3Å; A353-Y358 PolarHBondContact O-OH 2.91Å; L356-Y358 HydrophobicContact CB-CE2 3.84Å; Y358-T368 HydrophobicContact CD1-CG2 3.71Å; Y358-T368 HydrophobicContact CE1-CG2 3.48Å; Y358-T368 VanDerWaalsContact CE1-CG2 3.48Å; Y358-W372 AromaticContact CE1-NE1 3.71Å; Y358-W372 PolarHBondContact OH-NE1 3.13Å
359	S	95.3	Very high	97.1	Very high	49 Å²	49	42.1 Å²	42.1	34%	0.343	24%	0.239	S	C	.	.	S	Bend	trans	-71.7	169.9	178.3	66.9	0	0	0	0	112.8	D357 D361	D357-S359 PolarHBondContact O-N 2.87Å; D357-S359 WeakPolarHBondContact OD1-CB 3.5Å; D357-S359 PolarHBondContact OD1-N 2.76Å; D357-S359 PolarHBondContact OD1-OG 3.39Å; S359-D361 PolarHBondContact O-N 2.99Å
360	G	93.3	Very high	97.1	Very high	62 Å²	62	45.5 Å²	45.5	64%	0.639	25%	0.254	S	S	*	.	S	Bend	trans	-70.1	-9.9	179.9	0	0	0	0	0	115.1	K365	G360-K365 WeakPolarHBondContact O-CE 3.4Å; G360-K365 PolarHBondContact O-NZ 3.38Å; G360-K365 VanDerWaalsContact O-NZ 3.15Å
361	D	95.9	Very high	97.1	Very high	89 Å²	89	45.5 Å²	45.5	48%	0.476	25%	0.254	S	S	.	.			trans	-63.7	139.1	-177.1	177.1	-97.4	0	0	0	112	S359 V363 A364 K365	S359-D361 PolarHBondContact O-N 2.99Å; D361-V363 PolarHBondContact O-N 2.89Å; D361-V363 WeakPolarHBondContact OD1-CA 3.48Å; D361-V363 WeakPolarHBondContact OD1-CB 3.39Å; D361-V363 PolarHBondContact OD1-N 2.77Å; D361-A364 HydrophobicContact CB-CB 3.96Å; D361-A364 PolarHBondContact O-N 3.39Å; D361-A364 PolarHBondContact OD1-N 2.87Å; D361-K365 WeakPolarHBondContact O-CB 3.16Å; D361-K365 VanDerWaalsContact O-CG 3.32Å; D361-K365 WeakPolarHBondContact O-CG 3.22Å; D361-K365 PolarHBondContact O-N 3.18Å
362	A	96.8	Very high	97	Very high	76 Å²	76	43.2 Å²	43.2	63%	0.628	25%	0.246	S	C	*	.	H	α-helix	trans	-67.6	-37.5	-173	0	0	0	0	0	112.7	Q366	A362-Q366 PolarHBondContact O-N 2.77Å; A362-Q366 VanDerWaalsContact O-N 3.13Å
363	V	95.8	Very high	96.9	Very high	80 Å²	80	48.6 Å²	48.6	49%	0.485	27%	0.27	S	S	.	.	H	α-helix	trans	-72	-43.8	179.3	178.3	0	0	0	0	109.7	D361 K365 Q366 Q367	D361-V363 PolarHBondContact O-N 2.89Å; D361-V363 WeakPolarHBondContact OD1-CA 3.48Å; D361-V363 WeakPolarHBondContact OD1-CB 3.39Å; D361-V363 PolarHBondContact OD1-N 2.77Å; V363-K365 VanDerWaalsContact C-N 3.33Å; V363-K365 PolarHBondContact O-N 2.82Å; V363-Q366 PolarHBondContact O-N 3.44Å; V363-Q367 HydrophobicContact CG1-CG 4.33Å; V363-Q367 WeakPolarHBondContact O-CB 3.39Å; V363-Q367 VanDerWaalsContact O-CG 3.27Å; V363-Q367 WeakPolarHBondContact O-CG 3.16Å; V363-Q367 PolarHBondContact O-N 3.19Å
364	A	96.6	Very high	96.8	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-42.4	175.9	0	0	0	0	0	112.7	D357 D361 T368	D357-A364 HydrophobicContact CB-CB 3.92Å; D361-A364 HydrophobicContact CB-CB 3.96Å; D361-A364 PolarHBondContact O-N 3.39Å; D361-A364 PolarHBondContact OD1-N 2.87Å; A364-T368 VanDerWaalsContact O-CB 3.31Å; A364-T368 WeakPolarHBondContact O-CB 3.49Å; A364-T368 PolarHBondContact O-N 3.48Å; A364-T368 PolarHBondContact O-OG1 3.32Å
365	K	97.3	Very high	96.6	Very high	102 Å²	102	49.2 Å²	49.2	44%	0.443	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-51.6	175.2	-77.9	174.8	178.9	168.3	0	111.9	G360 D361 V363 Q367 T368 E369	G360-K365 WeakPolarHBondContact O-CE 3.4Å; G360-K365 PolarHBondContact O-NZ 3.38Å; G360-K365 VanDerWaalsContact O-NZ 3.15Å; D361-K365 WeakPolarHBondContact O-CB 3.16Å; D361-K365 VanDerWaalsContact O-CG 3.32Å; D361-K365 WeakPolarHBondContact O-CG 3.22Å; D361-K365 PolarHBondContact O-N 3.18Å; V363-K365 VanDerWaalsContact C-N 3.33Å; V363-K365 PolarHBondContact O-N 2.82Å; K365-Q367 PolarHBondContact O-N 3.32Å; K365-T368 PolarHBondContact O-N 2.96Å; K365-T368 VanDerWaalsContact O-N 3.16Å; K365-E369 WeakPolarHBondContact O-CB 3.25Å; K365-E369 WeakPolarHBondContact O-CG 3.12Å; K365-E369 PolarHBondContact O-N 3.35Å
366	Q	97.6	Very high	95.9	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-48.2	179	-177.3	-176.7	-7.8	0	0	111.3	A362 V363 T368 E369 E370	A362-Q366 PolarHBondContact O-N 2.77Å; A362-Q366 VanDerWaalsContact O-N 3.13Å; V363-Q366 PolarHBondContact O-N 3.44Å; Q366-T368 VanDerWaalsContact C-N 3.26Å; Q366-T368 PolarHBondContact O-N 3.35Å; Q366-E369 PolarHBondContact O-N 3.11Å; Q366-E370 HydrophobicContact CG-CG 4.48Å; Q366-E370 WeakPolarHBondContact CG-OE1 3.42Å; Q366-E370 PolarHBondContact NE2-OE1 3.12Å; Q366-E370 WeakPolarHBondContact O-CG 3.38Å; Q366-E370 PolarHBondContact O-N 3.31Å
367	Q	97.4	Very high	94.4	Very high	41 Å²	41	54.4 Å²	54.4	19%	0.192	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-37.7	178.3	-72.9	171.8	-15.4	0	0	112.5	Y288 V363 K365 M371	Y288-Q367 HydrophobicContact CE1-CB 4.43Å; V363-Q367 HydrophobicContact CG1-CG 4.33Å; V363-Q367 WeakPolarHBondContact O-CB 3.39Å; V363-Q367 VanDerWaalsContact O-CG 3.27Å; V363-Q367 WeakPolarHBondContact O-CG 3.16Å; V363-Q367 PolarHBondContact O-N 3.19Å; K365-Q367 PolarHBondContact O-N 3.32Å; Q367-M371 VanDerWaalsContact O-CG 3.27Å; Q367-M371 WeakPolarHBondContact O-CG 3.4Å; Q367-M371 PolarHBondContact O-N 3.03Å
368	T	97.6	Very high	93	Very high	12 Å²	12	62.2 Å²	62.2	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-70.7	-45.5	177.7	-66.1	0	0	0	0	111.3	L356 D357 Y358 A364 K365 Q366 E370 M371 W372	L356-T368 HydrophobicContact CB-CG2 4.24Å; L356-T368 HydrophobicContact CD1-CG2 3.91Å; D357-T368 PolarHBondContact O-OG1 3.4Å; Y358-T368 HydrophobicContact CD1-CG2 3.71Å; Y358-T368 HydrophobicContact CE1-CG2 3.48Å; Y358-T368 VanDerWaalsContact CE1-CG2 3.48Å; A364-T368 VanDerWaalsContact O-CB 3.31Å; A364-T368 WeakPolarHBondContact O-CB 3.49Å; A364-T368 PolarHBondContact O-N 3.48Å; A364-T368 PolarHBondContact O-OG1 3.32Å; K365-T368 PolarHBondContact O-N 2.96Å; K365-T368 VanDerWaalsContact O-N 3.16Å; Q366-T368 VanDerWaalsContact C-N 3.26Å; Q366-T368 PolarHBondContact O-N 3.35Å; T368-E370 PolarHBondContact O-N 2.92Å; T368-M371 PolarHBondContact O-N 3.06Å; T368-W372 PolarHBondContact O-N 3.26Å; T368-W372 VanDerWaalsContact O-N 3.13Å
369	E	97.1	Very high	90.8	Very high	116 Å²	116	67.4 Å²	67.4	54%	0.542	36%	0.363	S	S	.	.	H	α-helix	trans	-57.4	-47.7	176	-74.1	168.5	-178.2	0	0	110.9	K365 Q366 M371 W372 E373	K365-E369 WeakPolarHBondContact O-CB 3.25Å; K365-E369 WeakPolarHBondContact O-CG 3.12Å; K365-E369 PolarHBondContact O-N 3.35Å; Q366-E369 PolarHBondContact O-N 3.11Å; E369-M371 VanDerWaalsContact C-N 3.33Å; E369-M371 PolarHBondContact O-N 2.96Å; E369-W372 PolarHBondContact O-N 3.09Å; E369-W372 VanDerWaalsContact O-N 3.14Å; E369-E373 WeakPolarHBondContact O-CG 3.43Å; E369-E373 PolarHBondContact O-N 3.07Å
370	E	97.4	Very high	88.2	Confident	70 Å²	70	72.2 Å²	72.2	33%	0.327	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-38.3	178.8	-70.5	173.1	-174.1	0	0	112.7	P330 Q366 T368 E373 V374	P330-E370 HydrophobicContact CB-CB 4.19Å; P330-E370 HydrophobicContact CG-CB 3.63Å; Q366-E370 HydrophobicContact CG-CG 4.48Å; Q366-E370 WeakPolarHBondContact CG-OE1 3.42Å; Q366-E370 PolarHBondContact NE2-OE1 3.12Å; Q366-E370 WeakPolarHBondContact O-CG 3.38Å; Q366-E370 PolarHBondContact O-N 3.31Å; T368-E370 PolarHBondContact O-N 2.92Å; E370-E373 PolarHBondContact O-N 3.22Å; E370-V374 WeakPolarHBondContact O-CG1 3.35Å; E370-V374 WeakPolarHBondContact O-CG2 3.46Å; E370-V374 PolarHBondContact O-N 2.95Å
371	M	98.1	Very high	85.3	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-68.4	-33.9	177.1	-70.8	-66.5	-70.2	0	0	112.7	W250 Y288 P330 I333 L356 Q367 T368 E369 V374	W250-M371 HydrophobicContact CD2-CE 4.36Å; W250-M371 HydrophobicContact CG-CE 3.89Å; W250-M371 HydrophobicContact CZ2-CB 4.34Å; Y288-M371 HydrophobicContact CD1-CG 4.27Å; Y288-M371 HydrophobicContact CD2-CE 4.3Å; Y288-M371 HydrophobicContact CE1-CG 3.78Å; Y288-M371 HydrophobicContact CE1-SD 4.15Å; Y288-M371 HydrophobicContact CE2-CE 4.32Å; Y288-M371 HydrophobicContact CE2-SD 4.02Å; P330-M371 VanDerWaalsContact CD-SD 3.54Å; P330-M371 HydrophobicContact CG-CG 4.28Å; P330-M371 HydrophobicContact CG-SD 3.78Å; I333-M371 HydrophobicContact CD1-CE 3.52Å; I333-M371 HydrophobicContact CD1-SD 4.14Å; L356-M371 HydrophobicContact CD1-CB 3.83Å; L356-M371 HydrophobicContact CD2-CB 4.09Å; L356-M371 HydrophobicContact CD2-CE 4.4Å; L356-M371 HydrophobicContact CD2-CG 3.96Å; Q367-M371 VanDerWaalsContact O-CG 3.27Å; Q367-M371 WeakPolarHBondContact O-CG 3.4Å; Q367-M371 PolarHBondContact O-N 3.03Å; T368-M371 PolarHBondContact O-N 3.06Å; E369-M371 VanDerWaalsContact C-N 3.33Å; E369-M371 PolarHBondContact O-N 2.96Å; M371-V374 VanDerWaalsContact O-CG2 3.23Å; M371-V374 WeakPolarHBondContact O-CG2 3.36Å
372	W	97.5	Very high	82.5	Confident	6 Å²	6	87.8 Å²	87.8	2%	0.023	43%	0.425	C	S	.	.	H	α-helix	trans	-72.7	-44.5	173.2	-81.7	111.3	0	0	0	111.4	V59 Y70 D71 Q74 I75 W250 A353 Y358 T368 E369 V374 L375	V59-W372 HydrophobicContact CG2-CH2 4Å; V59-W372 HydrophobicContact CG2-CZ3 4.11Å; Y70-W372 AromaticContact CD1-CZ2 3.89Å; Y70-W372 HydrophobicContact CD1-CZ2 3.89Å; Y70-W372 HydrophobicContact CD2-CH2 4.46Å; Y70-W372 HydrophobicContact CD2-CZ2 4.4Å; Y70-W372 HydrophobicContact CG-CH2 4.16Å; Y70-W372 AromaticContact CG-CZ2 3.72Å; Y70-W372 HydrophobicContact CG-CZ2 3.72Å; D71-W372 HydrophobicContact CB-CB 3.98Å; D71-W372 HydrophobicContact CB-CD2 3.68Å; D71-W372 HydrophobicContact CB-CE3 4.02Å; D71-W372 HydrophobicContact CB-CG 3.68Å; Q74-W372 HydrophobicContact CG-CE3 4.4Å; Q74-W372 VanDerWaalsContact NE2-C 3.33Å; Q74-W372 VanDerWaalsContact NE2-CE3 3.35Å; Q74-W372 PolarHBondContact NE2-O 2.98Å; Q74-W372 PolarHBondContact OE1-O 3.23Å; I75-W372 HydrophobicContact CD1-CH2 3.82Å; I75-W372 HydrophobicContact CD1-CZ3 4.09Å; I75-W372 HydrophobicContact CG1-CH2 4.19Å; I75-W372 HydrophobicContact CG1-CZ3 3.95Å; W250-W372 AromaticContact CH2-CD2 3.62Å; W250-W372 HydrophobicContact CH2-CD2 3.62Å; W250-W372 AromaticContact CH2-CE2 3.52Å; W250-W372 AromaticContact CH2-CE3 3.79Å; W250-W372 HydrophobicContact CH2-CE3 3.79Å; W250-W372 HydrophobicContact CH2-CG 4.22Å; W250-W372 AromaticContact CH2-CH2 3.86Å; W250-W372 HydrophobicContact CH2-CH2 3.86Å; W250-W372 AromaticContact CH2-CZ2 3.66Å; W250-W372 HydrophobicContact CH2-CZ2 3.66Å; W250-W372 AromaticContact CH2-CZ3 3.92Å; W250-W372 HydrophobicContact CH2-CZ3 3.92Å; W250-W372 HydrophobicContact CZ2-CD2 4.44Å; W250-W372 HydrophobicContact CZ2-CE3 4.46Å; W250-W372 HydrophobicContact CZ3-CD2 4.49Å; W250-W372 AromaticContact CZ3-CE2 3.95Å; W250-W372 HydrophobicContact CZ3-CH2 4.22Å; W250-W372 AromaticContact CZ3-CZ2 3.81Å; W250-W372 HydrophobicContact CZ3-CZ2 3.81Å; A353-W372 HydrophobicContact CB-CH2 4.31Å; A353-W372 HydrophobicContact CB-CZ2 4.26Å; Y358-W372 AromaticContact CE1-NE1 3.71Å; Y358-W372 PolarHBondContact OH-NE1 3.13Å; T368-W372 PolarHBondContact O-N 3.26Å; T368-W372 VanDerWaalsContact O-N 3.13Å; E369-W372 PolarHBondContact O-N 3.09Å; E369-W372 VanDerWaalsContact O-N 3.14Å; W372-V374 VanDerWaalsContact C-N 3.28Å; W372-V374 PolarHBondContact O-N 3.43Å; W372-L375 HydrophobicContact CE3-CD1 3.87Å; W372-L375 HydrophobicContact CZ3-CD1 4.09Å; W372-L375 WeakPolarHBondContact O-CB 3.44Å; W372-L375 PolarHBondContact O-N 2.99Å
373	E	95.7	Very high	81.8	Confident	126 Å²	126	88.4 Å²	88.4	59%	0.589	41%	0.414	S	S	*	.	H	α-helix	trans	-59.9	-35.6	-176.9	-77	-169.8	160.1	0	0	113.1	E369 E370 L375 K376	E369-E373 WeakPolarHBondContact O-CG 3.43Å; E369-E373 PolarHBondContact O-N 3.07Å; E370-E373 PolarHBondContact O-N 3.22Å; E373-L375 PolarHBondContact O-N 3.23Å; E373-K376 PolarHBondContact O-N 3.37Å
374	V	94.6	Very high	81	Confident	23 Å²	23	88.8 Å²	88.8	14%	0.139	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.2	-177.6	-66.2	0	0	0	0	114.5	P330 I333 E370 M371 W372 K376	P330-V374 HydrophobicContact CB-CG1 3.7Å; P330-V374 WeakPolarHBondContact O-CG1 3.28Å; I333-V374 HydrophobicContact CB-CG2 3.99Å; I333-V374 HydrophobicContact CD1-CG2 4.5Å; I333-V374 HydrophobicContact CG2-CB 4.14Å; I333-V374 HydrophobicContact CG2-CG2 3.61Å; E370-V374 WeakPolarHBondContact O-CG1 3.35Å; E370-V374 WeakPolarHBondContact O-CG2 3.46Å; E370-V374 PolarHBondContact O-N 2.95Å; M371-V374 VanDerWaalsContact O-CG2 3.23Å; M371-V374 WeakPolarHBondContact O-CG2 3.36Å; W372-V374 VanDerWaalsContact C-N 3.28Å; W372-V374 PolarHBondContact O-N 3.43Å; V374-K376 VanDerWaalsContact C-N 3.34Å
375	L	93.7	Very high	80.1	Confident	0 Å²	0	93.5 Å²	93.5	0%	0	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.4	176.7	-61.2	-173.7	0	0	0	112.5	V57 V248 W250 I348 M350 W372 E373 P377	V57-L375 HydrophobicContact CG1-CD1 3.96Å; V248-L375 HydrophobicContact CG2-CD2 4.17Å; W250-L375 HydrophobicContact CH2-CD1 4.33Å; W250-L375 HydrophobicContact CZ2-CD1 3.8Å; W250-L375 HydrophobicContact CZ2-CD2 4.4Å; W250-L375 HydrophobicContact CZ2-CG 4.27Å; I348-L375 HydrophobicContact CD1-CD2 3.83Å; I348-L375 HydrophobicContact CG1-CD2 4.19Å; I348-L375 HydrophobicContact CG2-CB 3.75Å; I348-L375 HydrophobicContact CG2-CD2 4.04Å; I348-L375 HydrophobicContact CG2-CG 4.39Å; I348-L375 WeakPolarHBondContact CG2-O 3.1Å; M350-L375 HydrophobicContact CE-CD1 3.51Å; W372-L375 HydrophobicContact CE3-CD1 3.87Å; W372-L375 HydrophobicContact CZ3-CD1 4.09Å; W372-L375 WeakPolarHBondContact O-CB 3.44Å; W372-L375 PolarHBondContact O-N 2.99Å; E373-L375 PolarHBondContact O-N 3.23Å; L375-P377 VanDerWaalsContact C-CD 3.5Å; L375-P377 WeakPolarHBondContact O-CD 3.45Å
376	K	84	Confident	79.1	Confident	84 Å²	84	93 Å²	93	37%	0.365	43%	0.431	S	S	.	.	S	Bend	trans	-117.3	79.7	172.3	-74.4	-172.3	-179.5	174.6	0	109.2	F55 V57 Q74 E373 V374 K378	F55-K376 HydrophobicContact CD1-CG 4.32Å; F55-K376 HydrophobicContact CE1-CG 4.09Å; V57-K376 HydrophobicContact CG2-CD 4.3Å; V57-K376 HydrophobicContact CG2-CG 4.03Å; Q74-K376 HydrophobicContact CB-CD 3.83Å; Q74-K376 PolarHBondContact O-NZ 2.95Å; E373-K376 PolarHBondContact O-N 3.37Å; V374-K376 VanDerWaalsContact C-N 3.34Å; K376-K378 PolarHBondContact O-N 3.42Å
377	P	66.9	Low	78	Confident	35 Å²	35	92.1 Å²	92.1	23%	0.227	43%	0.426	C	S	.	.			trans	-53.3	121.6	173.7	19.9	-30.5	0	0	0	108.9	A337 Q341 L375 L379	A337-P377 HydrophobicContact CB-CG 3.79Å; Q341-P377 HydrophobicContact CG-CG 4.24Å; Q341-P377 PolarHBondContact NE2-O 3.35Å; L375-P377 VanDerWaalsContact C-CD 3.5Å; L375-P377 WeakPolarHBondContact O-CD 3.45Å; P377-L379 PolarHBondContact O-N 3.07Å; P377-L379 VanDerWaalsContact O-N 3.15Å
378	K	66.9	Low	76.7	Confident	183 Å²	183	95.5 Å²	95.5	80%	0.796	44%	0.442	S	S	*	.			trans	-49.9	126.4	179.1	-69.2	179.5	-177.3	171.1	0	107.4	K376 L380	K376-K378 PolarHBondContact O-N 3.42Å; K378-L380 PolarHBondContact O-N 3.19Å
379	L	50.5	Low	75.2	Confident	150 Å²	150	101.5 Å²	101.5	79%	0.785	47%	0.468	S	S	*	.			trans	-50.2	110.8	174.3	-68.5	168.8	0	0	0	106.8	P377 Q381	P377-L379 PolarHBondContact O-N 3.07Å; P377-L379 VanDerWaalsContact O-N 3.15Å; L379-Q381 PolarHBondContact O-N 2.69Å
380	L	42.1	Very low	73.5	Confident	150 Å²	150	100.4 Å²	100.4	79%	0.785	46%	0.462	S	S	*	.			trans	-62.2	101.9	160.1	-72.9	170.3	0	0	0	103.7	K378 R382	K378-L380 PolarHBondContact O-N 3.19Å; L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 3.23Å
381	Q	32.3	Very low	71.5	Confident	190 Å²	190	102.9 Å²	102.9	89%	0.888	47%	0.474	S	S	*	.			trans	-54.3	104	166.8	-72.4	-178.5	-11.6	0	0	105.3	L379	L379-Q381 PolarHBondContact O-N 2.69Å
382	R	36.2	Very low	69.1	Low	288 Å²	288	112.3 Å²	112.3	100%	1.087	52%	0.517	S	S	*	.			trans	-75.6	0	172.3	-78.8	-170.1	179.9	-177.6	3.6	109.5	L380	L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 3.23Å

Retrieved 382 of 382 residues in 241.7 ms (Link to these results)

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