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Isoform h of cAMP-dependent protein kinase catalytic subunit AlphaSync

Canonical isoform description: Essential for larval development¹. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons². Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells³. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137-8 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 381 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	36.7	Very low	252 Å²	252	118.5 Å²	118.5	100%	1.241	88%	0.877	S	S	*	*				0	120.5	0	-79	176.5	171.2	0	0	107.4
2	G	36.2	Very low	36.4	Very low	83 Å²	83	115.8 Å²	115.8	86%	0.856	88%	0.878	S	S	*	*			trans	112.3	105.8	-179.9	0	0	0	0	0	113.3
3	N	37.3	Very low	35.9	Very low	174 Å²	174	113.8 Å²	113.8	93%	0.93	88%	0.881	S	S	*	*			trans	-79.9	160.2	-167.2	-88	-19.7	0	0	0	115.7
4	A	35.9	Very low	35.8	Very low	102 Å²	102	111.6 Å²	111.6	84%	0.843	88%	0.879	S	S	*	*			trans	-80.2	156.5	163.5	0	0	0	0	0	113.6
5	A	39	Very low	35.8	Very low	89 Å²	89	112.5 Å²	112.5	74%	0.736	88%	0.879	S	S	*	*			trans	-178.6	112.6	148.9	0	0	0	0	0	107.1
6	S	39.7	Very low	35.6	Very low	123 Å²	123	111.5 Å²	111.5	86%	0.86	87%	0.874	S	S	*	*				88.3	125	58.6	70.8	0	0	0	0	114.8
7	G	35.4	Very low	35.7	Very low	90 Å²	90	119.6 Å²	119.6	93%	0.928	88%	0.878	S	S	*	*			trans	111.3	131.8	159.5	0	0	0	0	0	114.4
8	G	34.3	Very low	35.5	Very low	74 Å²	74	127.3 Å²	127.3	76%	0.763	88%	0.884	S	S	*	*			cis	169.8	154.3	1.5	0	0	0	0	0	110
9	S	36.8	Very low	35.4	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	88%	0.878	S	S	*	*			trans	41.6	114.8	151.9	-81.2	0	0	0	0	121.2
10	S	35.8	Very low	35.3	Very low	117 Å²	117	127 Å²	127	82%	0.818	88%	0.88	S	S	*	*				93.4	128.8	67.4	68.6	0	0	0	0	114.4
11	G	31.3	Very low	35.1	Very low	83 Å²	83	124.4 Å²	124.4	86%	0.856	88%	0.875	S	S	*	*			trans	136.4	120.4	157.8	0	0	0	0	0	118.5
12	G	33.4	Very low	34.6	Very low	87 Å²	87	116 Å²	116	90%	0.897	85%	0.852	S	S	*	*			trans	93	121.1	158.3	0	0	0	0	0	114.8
13	G	30.1	Very low	34.4	Very low	89 Å²	89	115.2 Å²	115.2	92%	0.918	84%	0.844	S	S	*	*			cis	111.8	103.8	34	0	0	0	0	0	108.1
14	G	34.5	Very low	34.3	Very low	83 Å²	83	114 Å²	114	86%	0.856	84%	0.838	S	S	*	*			trans	175	91.2	179.2	0	0	0	0	0	114
15	S	35.2	Very low	34.3	Very low	125 Å²	125	117.1 Å²	117.1	87%	0.874	84%	0.84	S	S	*	*			trans	-76.1	147.7	170.2	-73.4	0	0	0	0	112.6
16	A	33.1	Very low	34.1	Very low	97 Å²	97	115 Å²	115	80%	0.802	83%	0.827	S	S	*	*			trans	68.7	108.8	151.1	0	0	0	0	0	119.5
17	R	37.1	Very low	34	Very low	250 Å²	250	113 Å²	113	94%	0.943	81%	0.813	S	S	*	*			trans	-145.3	123.6	131.1	-105.2	177.1	-174.4	-168.5	0.7	111	G19	R17-G19 PolarHBondContact O-N 3.31Å
18	R	31.5	Very low	34.1	Very low	258 Å²	258	115 Å²	115	97%	0.974	80%	0.803	S	S	*	*			trans	-57.6	123.2	167.4	-74.4	171.2	164.5	176.3	-5.8	109.3
19	G	35.1	Very low	34.2	Very low	76 Å²	76	120.8 Å²	120.8	78%	0.784	80%	0.803	S	S	*	*			trans	-119.1	100.4	166.5	0	0	0	0	0	108.7	R17 G21	R17-G19 PolarHBondContact O-N 3.31Å; G19-G21 PolarHBondContact O-N 3.35Å; G19-G21 VanDerWaalsContact O-N 3.15Å
20	N	31.8	Very low	34.2	Very low	171 Å²	171	120.8 Å²	120.8	91%	0.914	79%	0.794	S	S	*	*			trans	-72.4	95.9	174.3	-164.7	30.4	0	0	0	108.3
21	G	32.8	Very low	34.2	Very low	74 Å²	74	119.8 Å²	119.8	76%	0.763	78%	0.779	S	S	*	*			trans	-97.9	84.5	174.8	0	0	0	0	0	110.3	G19 G23	G19-G21 PolarHBondContact O-N 3.35Å; G19-G21 VanDerWaalsContact O-N 3.15Å; G21-G23 PolarHBondContact O-N 3.47Å
22	G	29.3	Very low	34.4	Very low	74 Å²	74	118.9 Å²	118.9	76%	0.763	76%	0.763	S	S	*	*			trans	-66	96.9	166.8	0	0	0	0	0	109.8	N24	G22-N24 PolarHBondContact O-N 2.81Å
23	G	32.4	Very low	34.4	Very low	68 Å²	68	120.8 Å²	120.8	70%	0.701	75%	0.75	S	S	*	*			trans	-72.6	117.1	171	0	0	0	0	0	110.3	G21 N25	G21-G23 PolarHBondContact O-N 3.47Å; G23-N25 PolarHBondContact O-N 2.89Å; G23-N25 VanDerWaalsContact O-N 3.17Å
24	N	34.8	Very low	34.6	Very low	147 Å²	147	121.3 Å²	121.3	79%	0.786	74%	0.736	S	S	*	*			trans	-65.6	97.9	-177.7	-164.3	19.8	0	0	0	111.7	G22 G26	G22-N24 PolarHBondContact O-N 2.81Å; N24-G26 VanDerWaalsContact C-N 3.28Å; N24-G26 PolarHBondContact O-N 3.17Å
25	N	36.1	Very low	34.6	Very low	168 Å²	168	123.9 Å²	123.9	90%	0.898	72%	0.724	S	S	*	*			trans	-89	54.2	170.1	-93.5	-0.5	0	0	0	111.4	G23	G23-N25 PolarHBondContact O-N 2.89Å; G23-N25 VanDerWaalsContact O-N 3.17Å
26	G	35.5	Very low	35.1	Very low	44 Å²	44	120.5 Å²	120.5	45%	0.454	70%	0.7	S	S	.	*			trans	-115.9	-6.5	-172.8	0	0	0	0	0	116.9	N24	N24-G26 VanDerWaalsContact C-N 3.28Å; N24-G26 PolarHBondContact O-N 3.17Å
27	S	36.9	Very low	35.6	Very low	82 Å²	82	120.7 Å²	120.7	57%	0.573	69%	0.687	S	S	*	*	S	Bend	trans	-104.2	-13.5	-167.5	47.9	0	0	0	0	116.6
28	D	38.3	Very low	36.2	Very low	132 Å²	132	111 Å²	111	71%	0.706	67%	0.665	S	S	*	*	H	α-helix	trans	-88	-22.2	-174.8	-74.5	-21.6	0	0	0	114.5	A32	D28-A32 PolarHBondContact O-N 2.67Å
29	Y	36.6	Very low	37.1	Very low	195 Å²	195	106.8 Å²	106.8	77%	0.765	65%	0.649	S	S	*	*	H	α-helix	trans	-75.1	-34	179.3	-79.8	-80.9	0	0	0	113.4	M33	Y29-M33 PolarHBondContact O-N 3.34Å
30	N	35.5	Very low	37.9	Very low	116 Å²	116	108.1 Å²	108.1	62%	0.62	64%	0.637	S	S	*	*	H	α-helix	trans	-71.5	-34.3	179.2	-80.8	-18	0	0	0	112.3	V34	N30-V34 WeakPolarHBondContact O-CG2 3.02Å; N30-V34 PolarHBondContact O-N 3.4Å; N30-V34 VanDerWaalsContact O-N 3.1Å
31	N	36.3	Very low	39.2	Very low	97 Å²	97	102.3 Å²	102.3	52%	0.519	61%	0.613	S	S	.	*	H	α-helix	trans	-72.1	-39.9	178.6	-143.2	13.9	0	0	0	111.1	M33 V34 F35	N31-M33 PolarHBondContact O-N 2.77Å; N31-V34 PolarHBondContact O-N 2.87Å; N31-F35 WeakPolarHBondContact O-CB 3.4Å; N31-F35 VanDerWaalsContact O-CD2 3.29Å; N31-F35 WeakPolarHBondContact O-CD2 3.1Å; N31-F35 PolarHBondContact O-N 3.26Å
32	A	36.8	Very low	40.5	Very low	63 Å²	63	100.1 Å²	100.1	52%	0.521	59%	0.588	S	S	.	*	H	α-helix	trans	-63.7	-38.9	176.2	0	0	0	0	0	113.1	D28 S36	D28-A32 PolarHBondContact O-N 2.67Å; A32-S36 WeakPolarHBondContact O-CB 3.49Å; A32-S36 PolarHBondContact O-N 3.06Å
33	M	31.8	Very low	42	Very low	127 Å²	127	99.3 Å²	99.3	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-69.7	-38.4	175.1	-92.6	-165	-179.4	0	0	113.2	Y29 N31 S36 N37	Y29-M33 PolarHBondContact O-N 3.34Å; N31-M33 PolarHBondContact O-N 2.77Å; M33-S36 PolarHBondContact O-N 2.7Å; M33-S36 PolarHBondContact O-OG 3.42Å; M33-N37 WeakPolarHBondContact O-CB 3.43Å; M33-N37 PolarHBondContact O-N 3.3Å
34	V	35.1	Very low	43.6	Very low	100 Å²	100	102.2 Å²	102.2	61%	0.606	57%	0.57	S	S	*	*	H	α-helix	trans	-69.2	-41.8	178.6	174	0	0	0	0	110.9	N30 N31 N37 G38	N30-V34 WeakPolarHBondContact O-CG2 3.02Å; N30-V34 PolarHBondContact O-N 3.4Å; N30-V34 VanDerWaalsContact O-N 3.1Å; N31-V34 PolarHBondContact O-N 2.87Å; V34-N37 PolarHBondContact O-N 3.49Å; V34-G38 PolarHBondContact O-N 3.19Å
35	F	35.1	Very low	45.7	Very low	138 Å²	138	99.1 Å²	99.1	61%	0.605	56%	0.556	S	S	*	*	H	α-helix	trans	-65.9	-35.7	173.7	-87.8	-77.2	0	0	0	112.8	N31 R39	N31-F35 WeakPolarHBondContact O-CB 3.4Å; N31-F35 VanDerWaalsContact O-CD2 3.29Å; N31-F35 WeakPolarHBondContact O-CD2 3.1Å; N31-F35 PolarHBondContact O-N 3.26Å; F35-R39 WeakPolarHBondContact O-CG 3.31Å; F35-R39 PolarHBondContact O-N 3.17Å
36	S	44.8	Very low	47.8	Very low	53 Å²	53	93.1 Å²	93.1	37%	0.371	52%	0.523	S	S	.	.	H	α-helix	trans	-71.7	-41	176.6	83.7	0	0	0	0	112	A32 M33 R39 L40	A32-S36 WeakPolarHBondContact O-CB 3.49Å; A32-S36 PolarHBondContact O-N 3.06Å; M33-S36 PolarHBondContact O-N 2.7Å; M33-S36 PolarHBondContact O-OG 3.42Å; S36-R39 PolarHBondContact O-N 2.67Å; S36-L40 WeakPolarHBondContact O-CG 3.23Å; S36-L40 PolarHBondContact O-N 3.2Å
37	N	44.2	Very low	50.1	Low	102 Å²	102	97.6 Å²	97.6	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-40.8	176.6	-81.2	-8.1	0	0	0	112	M33 V34 R39 L40 A41	M33-N37 WeakPolarHBondContact O-CB 3.43Å; M33-N37 PolarHBondContact O-N 3.3Å; V34-N37 PolarHBondContact O-N 3.49Å; N37-R39 VanDerWaalsContact C-N 3.35Å; N37-R39 PolarHBondContact O-N 3.36Å; N37-L40 PolarHBondContact O-N 3.15Å; N37-A41 WeakPolarHBondContact O-CB 3.36Å; N37-A41 PolarHBondContact O-N 3.1Å
38	G	49.5	Very low	52.5	Low	45 Å²	45	100.2 Å²	100.2	46%	0.464	53%	0.533	S	S	.	.	H	α-helix	trans	-63.5	-38.7	174.6	0	0	0	0	0	112.9	V34 A42	V34-G38 PolarHBondContact O-N 3.19Å; G38-A42 VanDerWaalsContact O-CB 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.38Å; G38-A42 PolarHBondContact O-N 3.42Å
39	R	51.3	Low	55	Low	171 Å²	171	97.1 Å²	97.1	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-68.1	-38.7	174.8	-80.2	-179.1	171.3	-176.7	-2.8	112.9	F35 S36 N37 A43	F35-R39 WeakPolarHBondContact O-CG 3.31Å; F35-R39 PolarHBondContact O-N 3.17Å; S36-R39 PolarHBondContact O-N 2.67Å; N37-R39 VanDerWaalsContact C-N 3.35Å; N37-R39 PolarHBondContact O-N 3.36Å; R39-A43 WeakPolarHBondContact O-CB 3.32Å; R39-A43 PolarHBondContact O-N 3.05Å
40	L	50.4	Low	57.6	Low	103 Å²	103	89 Å²	89	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-49.3	175.8	-79.3	161.7	0	0	0	111.1	S36 N37 A42 A43 E44	S36-L40 WeakPolarHBondContact O-CG 3.23Å; S36-L40 PolarHBondContact O-N 3.2Å; N37-L40 PolarHBondContact O-N 3.15Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 2.9Å; L40-A43 PolarHBondContact O-N 2.82Å; L40-A43 VanDerWaalsContact O-N 3.13Å; L40-E44 PolarHBondContact O-N 3.4Å
41	A	58.8	Low	60.3	Low	50 Å²	50	86.6 Å²	86.6	41%	0.413	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-41.9	177.3	0	0	0	0	0	112.1	N37 E44 T45	N37-A41 WeakPolarHBondContact O-CB 3.36Å; N37-A41 PolarHBondContact O-N 3.1Å; A41-E44 PolarHBondContact O-N 3.34Å; A41-T45 WeakPolarHBondContact O-CB 3.5Å; A41-T45 PolarHBondContact O-N 3.5Å; A41-T45 PolarHBondContact O-OG1 3.48Å
42	A	61.3	Low	63.1	Low	27 Å²	27	88.7 Å²	88.7	22%	0.223	48%	0.475	C	S	.	.	H	α-helix	trans	-62.7	-41.3	174.4	0	0	0	0	0	112.4	G38 L40 T45 I46 I334	G38-A42 VanDerWaalsContact O-CB 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.38Å; G38-A42 PolarHBondContact O-N 3.42Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 2.9Å; A42-T45 PolarHBondContact O-N 3.29Å; A42-I46 WeakPolarHBondContact O-CG1 3.45Å; A42-I46 PolarHBondContact O-N 2.94Å; A42-I334 HydrophobicContact CB-CD1 3.84Å
43	A	60.9	Low	65.8	Low	58 Å²	58	86.2 Å²	86.2	48%	0.479	46%	0.455	S	S	.	.	H	α-helix	trans	-66.8	-41	178	0	0	0	0	0	112.3	R39 L40 T45 I46 K47	R39-A43 WeakPolarHBondContact O-CB 3.32Å; R39-A43 PolarHBondContact O-N 3.05Å; L40-A43 PolarHBondContact O-N 2.82Å; L40-A43 VanDerWaalsContact O-N 3.13Å; A43-T45 VanDerWaalsContact C-N 3.35Å; A43-I46 PolarHBondContact O-N 2.8Å; A43-K47 PolarHBondContact O-N 3.43Å
44	E	65.6	Low	68.8	Low	129 Å²	129	85.4 Å²	85.4	60%	0.603	45%	0.445	S	S	*	.	H	α-helix	trans	-61.4	-44.3	172.9	-75.4	-179.9	159.6	0	0	111	L40 A41 I46 K47 E48	L40-E44 PolarHBondContact O-N 3.4Å; A41-E44 PolarHBondContact O-N 3.34Å; E44-I46 VanDerWaalsContact C-N 3.33Å; E44-I46 PolarHBondContact O-N 2.91Å; E44-K47 PolarHBondContact O-N 3.22Å; E44-K47 VanDerWaalsContact O-N 3.17Å; E44-E48 WeakPolarHBondContact O-CG 3.29Å; E44-E48 PolarHBondContact O-N 3.12Å
45	T	79.1	Confident	71.7	Confident	82 Å²	82	85 Å²	85	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-60.5	-41.1	177.6	-50.7	0	0	0	0	112	A41 A42 A43 F49	A41-T45 WeakPolarHBondContact O-CB 3.5Å; A41-T45 PolarHBondContact O-N 3.5Å; A41-T45 PolarHBondContact O-OG1 3.48Å; A42-T45 PolarHBondContact O-N 3.29Å; A43-T45 VanDerWaalsContact C-N 3.35Å; T45-F49 WeakPolarHBondContact O-CB 3.38Å; T45-F49 PolarHBondContact O-N 3.43Å
46	I	80.3	Confident	74.7	Confident	41 Å²	41	81.2 Å²	81.2	21%	0.21	42%	0.422	C	S	.	.	H	α-helix	trans	-67.8	-41.4	177.4	-69	166.1	0	0	0	110.8	A42 A43 E44 F49 L50	A42-I46 WeakPolarHBondContact O-CG1 3.45Å; A42-I46 PolarHBondContact O-N 2.94Å; A43-I46 PolarHBondContact O-N 2.8Å; E44-I46 VanDerWaalsContact C-N 3.33Å; E44-I46 PolarHBondContact O-N 2.91Å; I46-F49 WeakPolarHBondContact O-CB 3.35Å; I46-F49 PolarHBondContact O-N 2.79Å; I46-L50 HydrophobicContact CG2-CD1 4.02Å; I46-L50 HydrophobicContact CG2-CG 4.3Å; I46-L50 VanDerWaalsContact O-CG 3.31Å; I46-L50 WeakPolarHBondContact O-CG 3.38Å; I46-L50 PolarHBondContact O-N 2.8Å
47	K	82.4	Confident	77.1	Confident	139 Å²	139	78.8 Å²	78.8	60%	0.604	41%	0.405	S	S	*	.	H	α-helix	trans	-62.3	-47.4	178.2	-175	-175	172.8	-166.6	0	111.3	A43 E44 F49 L50 D51	A43-K47 PolarHBondContact O-N 3.43Å; E44-K47 PolarHBondContact O-N 3.22Å; E44-K47 VanDerWaalsContact O-N 3.17Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-F49 PolarHBondContact O-N 3.2Å; K47-L50 PolarHBondContact O-N 2.82Å; K47-D51 PolarHBondContact O-N 2.77Å
48	E	88.1	Confident	79.6	Confident	136 Å²	136	78.1 Å²	78.1	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-59.4	-42.6	176	-71.8	178.7	174.4	0	0	111.8	E44 D51 K52	E44-E48 WeakPolarHBondContact O-CG 3.29Å; E44-E48 PolarHBondContact O-N 3.12Å; E48-D51 PolarHBondContact O-N 3.25Å; E48-K52 PolarHBondContact O-N 2.67Å
49	F	90.4	Very high	81.9	Confident	68 Å²	68	81 Å²	81	30%	0.298	40%	0.399	S	S	.	.	H	α-helix	trans	-58.4	-48.3	173.8	169.7	-95.1	0	0	0	111.9	T45 I46 K47 D51 K52 A53 F131 Y187 Y337	T45-F49 WeakPolarHBondContact O-CB 3.38Å; T45-F49 PolarHBondContact O-N 3.43Å; I46-F49 WeakPolarHBondContact O-CB 3.35Å; I46-F49 PolarHBondContact O-N 2.79Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-F49 PolarHBondContact O-N 3.2Å; F49-D51 VanDerWaalsContact C-N 3.34Å; F49-D51 PolarHBondContact O-N 2.87Å; F49-K52 PolarHBondContact O-N 3.02Å; F49-A53 VanDerWaalsContact O-CB 3.3Å; F49-A53 WeakPolarHBondContact O-CB 3.39Å; F49-A53 PolarHBondContact O-N 3.32Å; F49-F131 HydrophobicContact CE1-CD2 4.21Å; F49-F131 AromaticContact CE1-CE2 3.77Å; F49-F131 HydrophobicContact CE1-CE2 3.77Å; F49-F131 HydrophobicContact CZ-CD2 4.06Å; F49-F131 AromaticContact CZ-CE2 3.94Å; F49-F131 HydrophobicContact CZ-CE2 3.94Å; F49-Y187 HydrophobicContact CE1-CD2 4.39Å; F49-Y337 HydrophobicContact CE1-CE2 4.38Å; F49-Y337 HydrophobicContact CE2-CE2 4.4Å; F49-Y337 AromaticContact CE2-CZ 3.88Å; F49-Y337 WeakPolarHBondContact CE2-OH 3.4Å; F49-Y337 AromaticContact CZ-CE2 3.96Å; F49-Y337 HydrophobicContact CZ-CE2 3.96Å; F49-Y337 AromaticContact CZ-CZ 3.92Å; F49-Y337 WeakPolarHBondContact CZ-OH 3.24Å
50	L	92.2	Very high	84	Confident	23 Å²	23	77.3 Å²	77.3	12%	0.12	39%	0.385	C	S	.	.	H	α-helix	trans	-66.8	-35.2	-179.7	-68.6	176.2	0	0	0	112.4	I46 K47 A53 R54 E186	I46-L50 HydrophobicContact CG2-CD1 4.02Å; I46-L50 HydrophobicContact CG2-CG 4.3Å; I46-L50 VanDerWaalsContact O-CG 3.31Å; I46-L50 WeakPolarHBondContact O-CG 3.38Å; I46-L50 PolarHBondContact O-N 2.8Å; K47-L50 PolarHBondContact O-N 2.82Å; L50-A53 PolarHBondContact O-N 3.35Å; L50-R54 WeakPolarHBondContact O-CB 3.4Å; L50-R54 PolarHBondContact O-N 2.9Å; L50-E186 HydrophobicContact CD1-CG 4.09Å
51	D	92.7	Very high	86.2	Confident	67 Å²	67	73.7 Å²	73.7	36%	0.358	36%	0.364	S	S	.	.	H	α-helix	trans	-68.1	-42	176.6	-74.6	-27.3	0	0	0	111.2	K47 E48 F49 R54 E55	K47-D51 PolarHBondContact O-N 2.77Å; E48-D51 PolarHBondContact O-N 3.25Å; F49-D51 VanDerWaalsContact C-N 3.34Å; F49-D51 PolarHBondContact O-N 2.87Å; D51-R54 PolarHBondContact O-N 3.21Å; D51-R54 IonicContact OD1-CZ 3.66Å; D51-R54 IonicContact OD1-NH1 2.7Å; D51-R54 PolarHBondContact OD1-NH1 3.28Å; D51-R54 IonicContact OD1-NH2 2.73Å; D51-E55 PolarHBondContact O-N 3.4Å
52	K	93.5	Very high	88	Confident	141 Å²	141	76.6 Å²	76.6	61%	0.613	37%	0.369	S	S	*	.	H	α-helix	trans	-62.6	-47.6	171.7	-177.8	177.8	177	-178.9	0	111.8	E48 F49 R54 E55 D56	E48-K52 PolarHBondContact O-N 2.67Å; F49-K52 PolarHBondContact O-N 3.02Å; K52-R54 PolarHBondContact O-N 2.99Å; K52-E55 PolarHBondContact O-N 2.94Å; K52-E55 VanDerWaalsContact O-N 3.09Å; K52-D56 PolarHBondContact O-N 2.99Å
53	A	94.2	Very high	89.6	Confident	11 Å²	11	81 Å²	81	9%	0.091	39%	0.389	C	S	.	.	H	α-helix	trans	-57.9	-35.3	177.8	0	0	0	0	0	112.4	F49 L50 F57 Y187	F49-A53 VanDerWaalsContact O-CB 3.3Å; F49-A53 WeakPolarHBondContact O-CB 3.39Å; F49-A53 PolarHBondContact O-N 3.32Å; L50-A53 PolarHBondContact O-N 3.35Å; A53-F57 WeakPolarHBondContact O-CB 3.31Å; A53-F57 PolarHBondContact O-N 3.39Å; A53-Y187 HydrophobicContact CB-CD2 4.31Å; A53-Y187 HydrophobicContact CB-CE2 3.82Å
54	R	95.8	Very high	91.1	Very high	109 Å²	109	80.5 Å²	80.5	41%	0.411	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-40.5	176	-168.1	-173.7	-61.6	122.8	10.2	112.4	L50 D51 K52 K58 S190 L191	L50-R54 WeakPolarHBondContact O-CB 3.4Å; L50-R54 PolarHBondContact O-N 2.9Å; D51-R54 PolarHBondContact O-N 3.21Å; D51-R54 IonicContact OD1-CZ 3.66Å; D51-R54 IonicContact OD1-NH1 2.7Å; D51-R54 PolarHBondContact OD1-NH1 3.28Å; D51-R54 IonicContact OD1-NH2 2.73Å; K52-R54 PolarHBondContact O-N 2.99Å; R54-K58 WeakPolarHBondContact O-CB 3.48Å; R54-K58 PolarHBondContact O-N 3.1Å; R54-S190 PolarHBondContact NE-O 3.29Å; R54-L191 HydrophobicContact CB-CD2 4.02Å; R54-L191 HydrophobicContact CG-CD2 4.15Å
55	E	96.1	Very high	92.4	Very high	93 Å²	93	76.9 Å²	76.9	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-67.6	-47.6	176.7	-175.1	55.4	-150.3	0	0	111.1	D51 K52 F57 K58 Q59	D51-E55 PolarHBondContact O-N 3.4Å; K52-E55 PolarHBondContact O-N 2.94Å; K52-E55 VanDerWaalsContact O-N 3.09Å; E55-F57 VanDerWaalsContact C-N 3.32Å; E55-F57 PolarHBondContact O-N 3.1Å; E55-K58 WeakPolarHBondContact O-CB 2.97Å; E55-K58 PolarHBondContact O-N 2.99Å; E55-K58 VanDerWaalsContact O-N 3.1Å; E55-Q59 PolarHBondContact O-N 3.06Å; E55-Q59 PolarHBondContact OE1-NE2 2.98Å
56	D	96	Very high	93	Very high	57 Å²	57	77.7 Å²	77.7	31%	0.305	37%	0.371	S	S	.	.	H	α-helix	trans	-58.8	-44.4	176.5	-68.3	-19.1	0	0	0	111.1	K52 K58 Q59 R60	K52-D56 PolarHBondContact O-N 2.99Å; D56-K58 PolarHBondContact O-N 3.42Å; D56-Q59 PolarHBondContact O-N 3.31Å; D56-R60 WeakPolarHBondContact O-CG 3.47Å; D56-R60 PolarHBondContact O-N 3.37Å
57	F	97.1	Very high	93.7	Very high	2 Å²	2	80.7 Å²	80.7	1%	0.009	39%	0.387	C	S	.	.	H	α-helix	trans	-60.1	-45.2	174.3	171.9	-95.2	0	0	0	111.7	A53 E55 Q59 R60 W61 A128 I129 L191 L193	A53-F57 WeakPolarHBondContact O-CB 3.31Å; A53-F57 PolarHBondContact O-N 3.39Å; E55-F57 VanDerWaalsContact C-N 3.32Å; E55-F57 PolarHBondContact O-N 3.1Å; F57-Q59 VanDerWaalsContact C-N 3.33Å; F57-Q59 PolarHBondContact O-N 3.32Å; F57-R60 PolarHBondContact O-N 3.45Å; F57-W61 HydrophobicContact CD1-CB 4.42Å; F57-W61 HydrophobicContact CE1-CB 4.1Å; F57-W61 HydrophobicContact CE1-CD2 4.25Å; F57-W61 HydrophobicContact CE1-CE3 4.25Å; F57-W61 HydrophobicContact CE1-CG 4.19Å; F57-W61 AromaticContact CE2-CE3 3.96Å; F57-W61 HydrophobicContact CE2-CE3 3.96Å; F57-W61 HydrophobicContact CZ-CB 4.26Å; F57-W61 AromaticContact CZ-CD2 3.89Å; F57-W61 HydrophobicContact CZ-CD2 3.89Å; F57-W61 AromaticContact CZ-CE3 3.45Å; F57-W61 HydrophobicContact CZ-CE3 3.45Å; F57-W61 VanDerWaalsContact CZ-CE3 3.45Å; F57-W61 HydrophobicContact CZ-CG 4.25Å; F57-W61 HydrophobicContact CZ-CZ3 4.11Å; F57-W61 WeakPolarHBondContact O-CB 3.36Å; F57-W61 PolarHBondContact O-N 2.96Å; F57-A128 HydrophobicContact CD2-CB 3.63Å; F57-A128 WeakPolarHBondContact CD2-O 3.43Å; F57-A128 HydrophobicContact CE2-CB 3.54Å; F57-A128 HydrophobicContact CZ-CB 4.41Å; F57-I129 HydrophobicContact CD2-CG2 4.21Å; F57-I129 HydrophobicContact CE2-CG2 4.05Å; F57-L191 HydrophobicContact CB-CD1 4.12Å; F57-L191 HydrophobicContact CB-CD2 3.73Å; F57-L191 HydrophobicContact CB-CG 4.5Å; F57-L191 HydrophobicContact CD1-CB 4.21Å; F57-L191 HydrophobicContact CD1-CD1 4.45Å; F57-L191 HydrophobicContact CD1-CD2 4.02Å; F57-L191 HydrophobicContact CD1-CG 4.45Å; F57-L191 HydrophobicContact CD2-CD1 3.67Å; F57-L191 HydrophobicContact CD2-CG 4.5Å; F57-L191 HydrophobicContact CE1-CB 4.24Å; F57-L191 HydrophobicContact CE2-CD1 4.19Å; F57-L191 HydrophobicContact CG-CB 4.4Å; F57-L191 HydrophobicContact CG-CD1 3.82Å; F57-L191 HydrophobicContact CG-CD2 3.85Å; F57-L191 HydrophobicContact CG-CG 4.23Å; F57-L191 HydrophobicContact CZ-CB 4.46Å; F57-L193 HydrophobicContact CE2-CD1 3.89Å; F57-L193 HydrophobicContact CZ-CD1 4.09Å; F57-L193 HydrophobicContact CZ-CD2 4.42Å; F57-L193 HydrophobicContact CZ-CG 4.41Å
58	K	96.6	Very high	94.4	Very high	89 Å²	89	77.1 Å²	77.1	39%	0.387	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-44.1	-178.8	-175.4	-175.1	172.3	-164.2	0	111	R54 E55 D56 W61 E62	R54-K58 WeakPolarHBondContact O-CB 3.48Å; R54-K58 PolarHBondContact O-N 3.1Å; E55-K58 WeakPolarHBondContact O-CB 2.97Å; E55-K58 PolarHBondContact O-N 2.99Å; E55-K58 VanDerWaalsContact O-N 3.1Å; D56-K58 PolarHBondContact O-N 3.42Å; K58-W61 PolarHBondContact O-N 3.3Å; K58-E62 WeakPolarHBondContact CE-OE1 3.43Å; K58-E62 HydrophobicContact CG-CG 4.42Å; K58-E62 WeakPolarHBondContact CG-OE1 3.22Å; K58-E62 WeakPolarHBondContact O-CB 3.3Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 2.95Å
59	Q	96.4	Very high	94.9	Very high	105 Å²	105	71.4 Å²	71.4	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-47.3	178	-68.9	-176.8	7.2	0	0	112	E55 D56 F57 W61 N63	E55-Q59 PolarHBondContact O-N 3.06Å; E55-Q59 PolarHBondContact OE1-NE2 2.98Å; D56-Q59 PolarHBondContact O-N 3.31Å; F57-Q59 VanDerWaalsContact C-N 3.33Å; F57-Q59 PolarHBondContact O-N 3.32Å; Q59-W61 VanDerWaalsContact C-N 3.35Å; Q59-N63 WeakPolarHBondContact O-CB 3.28Å; Q59-N63 PolarHBondContact O-N 3.3Å; Q59-N63 PolarHBondContact O-ND2 3.34Å; Q59-N63 VanDerWaalsContact O-ND2 3.08Å
60	R	96.5	Very high	95.2	Very high	93 Å²	93	70.9 Å²	70.9	35%	0.351	36%	0.357	S	S	.	.	H	α-helix	trans	-69	-31.3	177.5	-60.7	179	-156.7	-175.1	8.7	112.8	D56 F57 N63 A128 D130	D56-R60 WeakPolarHBondContact O-CG 3.47Å; D56-R60 PolarHBondContact O-N 3.37Å; F57-R60 PolarHBondContact O-N 3.45Å; R60-N63 CarbonylContact O-C 3.58Å; R60-A128 HydrophobicContact CB-CB 3.98Å; R60-D130 IonicContact CZ-OD2 3.55Å; R60-D130 IonicContact NH1-OD2 2.8Å; R60-D130 PolarHBondContact NH1-OD2 3.07Å; R60-D130 IonicContact NH2-OD2 3.57Å; R60-D130 PolarHBondContact NH2-OD2 3.42Å
61	W	96.3	Very high	95.4	Very high	28 Å²	28	70.7 Å²	70.7	11%	0.106	36%	0.356	C	S	.	.	H	α-helix	trans	-73.1	-37.8	179.2	-178.9	-88	0	0	0	113.2	F57 K58 Q59 R124 I125 A128 R221	F57-W61 HydrophobicContact CD1-CB 4.42Å; F57-W61 HydrophobicContact CE1-CB 4.1Å; F57-W61 HydrophobicContact CE1-CD2 4.25Å; F57-W61 HydrophobicContact CE1-CE3 4.25Å; F57-W61 HydrophobicContact CE1-CG 4.19Å; F57-W61 AromaticContact CE2-CE3 3.96Å; F57-W61 HydrophobicContact CE2-CE3 3.96Å; F57-W61 HydrophobicContact CZ-CB 4.26Å; F57-W61 AromaticContact CZ-CD2 3.89Å; F57-W61 HydrophobicContact CZ-CD2 3.89Å; F57-W61 AromaticContact CZ-CE3 3.45Å; F57-W61 HydrophobicContact CZ-CE3 3.45Å; F57-W61 VanDerWaalsContact CZ-CE3 3.45Å; F57-W61 HydrophobicContact CZ-CG 4.25Å; F57-W61 HydrophobicContact CZ-CZ3 4.11Å; F57-W61 WeakPolarHBondContact O-CB 3.36Å; F57-W61 PolarHBondContact O-N 2.96Å; K58-W61 PolarHBondContact O-N 3.3Å; Q59-W61 VanDerWaalsContact C-N 3.35Å; W61-R124 HydrophobicContact CD2-CG 4.27Å; W61-R124 HydrophobicContact CE3-CG 3.86Å; W61-R124 HydrophobicContact CH2-CB 4.33Å; W61-R124 HydrophobicContact CH2-CG 3.87Å; W61-R124 HydrophobicContact CZ2-CG 4.26Å; W61-R124 HydrophobicContact CZ3-CB 4.13Å; W61-R124 HydrophobicContact CZ3-CG 3.66Å; W61-R124 PolarHBondContact O-NE 2.88Å; W61-R124 PolarHBondContact O-NH2 3.07Å; W61-I125 HydrophobicContact CH2-CG1 4.13Å; W61-I125 HydrophobicContact CZ3-CB 4.46Å; W61-I125 HydrophobicContact CZ3-CG1 3.68Å; W61-A128 HydrophobicContact CB-CB 4.3Å; W61-A128 HydrophobicContact CE3-CB 4.16Å; W61-R221 HydrophobicContact CH2-CB 4.24Å; W61-R221 HydrophobicContact CZ2-CB 4.31Å; W61-R221 VanDerWaalsContact NE1-NH1 3.13Å
62	E	95.7	Very high	95.7	Very high	110 Å²	110	73.4 Å²	73.4	51%	0.514	37%	0.371	S	S	.	.	H	α-helix	trans	-80.7	-28	178.3	-70.5	176.6	179.8	0	0	111.9	K58 P64	K58-E62 WeakPolarHBondContact CE-OE1 3.43Å; K58-E62 HydrophobicContact CG-CG 4.42Å; K58-E62 WeakPolarHBondContact CG-OE1 3.22Å; K58-E62 WeakPolarHBondContact O-CB 3.3Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 2.95Å; E62-P64 VanDerWaalsContact O-CD 3.29Å; E62-P64 WeakPolarHBondContact O-CD 3.26Å
63	N	95.1	Very high	95.9	Very high	119 Å²	119	69.5 Å²	69.5	64%	0.636	36%	0.357	S	S	*	.	S	Bend	trans	-120.4	73.6	179.6	-55.8	-80.3	0	0	0	110.9	Q59 R60 A65	Q59-N63 WeakPolarHBondContact O-CB 3.28Å; Q59-N63 PolarHBondContact O-N 3.3Å; Q59-N63 PolarHBondContact O-ND2 3.34Å; Q59-N63 VanDerWaalsContact O-ND2 3.08Å; R60-N63 CarbonylContact O-C 3.58Å; N63-A65 PolarHBondContact O-N 3.07Å
64	P	92.6	Very high	96.1	Very high	49 Å²	49	69.4 Å²	69.4	32%	0.318	35%	0.354	S	S	.	.			trans	-65.7	125.3	-176.3	29.7	-37.3	0	0	0	111.4	E62	E62-P64 VanDerWaalsContact O-CD 3.29Å; E62-P64 WeakPolarHBondContact O-CD 3.26Å
65	A	92.8	Very high	96.2	Very high	52 Å²	52	67.9 Å²	67.9	43%	0.43	35%	0.354	S	S	.	.			trans	-66.1	137	172	0	0	0	0	0	110	N63 T68 K123 Q127	N63-A65 PolarHBondContact O-N 3.07Å; A65-T68 HydrophobicContact CB-CG2 3.95Å; A65-K123 PolarHBondContact O-NZ 3.25Å; A65-Q127 PolarHBondContact O-OE1 3.33Å
66	Q	91.9	Very high	96.2	Very high	100 Å²	100	69.5 Å²	69.5	47%	0.467	36%	0.356	S	S	.	.			trans	-127.8	143.6	179.9	-72.5	-178.3	-12.3	0	0	110.4	T68 E380	Q66-T68 PolarHBondContact O-N 3.45Å; Q66-E380 PolarHBondContact NE2-O 3.08Å
67	N	95.3	Very high	96.2	Very high	104 Å²	104	70.7 Å²	70.7	56%	0.556	36%	0.362	S	S	*	.			trans	50.5	55.6	171.3	-141	42.9	0	0	0	114.1	A69 S140 F141 K142	N67-A69 VanDerWaalsContact C-N 3.34Å; N67-A69 PolarHBondContact O-N 3.03Å; N67-S140 WeakPolarHBondContact CA-O 3.35Å; N67-S140 PolarHBondContact N-O 3.5Å; N67-F141 WeakPolarHBondContact OD1-CA 3.27Å; N67-F141 VanDerWaalsContact OD1-CB 3.22Å; N67-F141 WeakPolarHBondContact OD1-CB 3.35Å; N67-K142 PolarHBondContact OD1-N 3.3Å
68	T	97.3	Very high	96.2	Very high	64 Å²	64	72.2 Å²	72.2	39%	0.393	37%	0.369	S	S	.	.			trans	-86.5	-0.5	-171.2	55.8	0	0	0	0	114.8	A65 Q66 F139 S140	A65-T68 HydrophobicContact CB-CG2 3.95Å; Q66-T68 PolarHBondContact O-N 3.45Å; T68-F139 WeakPolarHBondContact OG1-CA 3.13Å; T68-S140 PolarHBondContact N-O 3.12Å; T68-S140 PolarHBondContact OG1-N 3.35Å; T68-S140 PolarHBondContact OG1-O 3.17Å
69	A	97.9	Very high	96.2	Very high	16 Å²	16	68 Å²	68	13%	0.132	35%	0.35	C	S	.	.			trans	-159.9	-177.4	174.1	0	0	0	0	0	109.5	N67 F74 F139 F141	N67-A69 VanDerWaalsContact C-N 3.34Å; N67-A69 PolarHBondContact O-N 3.03Å; A69-F74 HydrophobicContact CB-CE2 3.9Å; A69-F74 HydrophobicContact CB-CZ 4.2Å; A69-F139 HydrophobicContact CB-CB 3.92Å; A69-F139 HydrophobicContact CB-CD1 3.87Å; A69-F139 HydrophobicContact CB-CG 4.01Å; A69-F141 HydrophobicContact CB-CD1 3.88Å; A69-F141 HydrophobicContact CB-CE1 4.09Å; A69-F141 WeakPolarHBondContact O-CB 3.28Å; A69-F141 VanDerWaalsContact O-CG 3.27Å; A69-F141 WeakPolarHBondContact O-CG 3.19Å
70	C	97.4	Very high	96.2	Very high	56 Å²	56	63.5 Å²	63.5	38%	0.378	33%	0.33	S	S	.	.			trans	-132.7	167.7	167.7	73.9	0	0	0	0	111.4	D72 D73 F74	C70-D72 VanDerWaalsContact C-N 3.25Å; C70-D72 PolarHBondContact O-N 3.22Å; C70-D73 PolarHBondContact N-OD2 2.8Å; C70-D73 WeakPolarHBondContact O-CB 3.41Å; C70-D73 PolarHBondContact O-N 3.28Å; C70-D73 PolarHBondContact SG-OD2 3.25Å; C70-F74 VanDerWaalsContact O-CD2 3.29Å; C70-F74 WeakPolarHBondContact O-CD2 3.42Å; C70-F74 WeakPolarHBondContact O-CE2 3.37Å
71	L	97.1	Very high	96	Very high	20 Å²	20	59.9 Å²	59.9	11%	0.105	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-62.5	-34.9	-176.6	-175.5	65.5	0	0	0	112.5	D73 F74 M102 F141 Y148 L366 I368	L71-D73 PolarHBondContact O-N 3.44Å; L71-F74 PolarHBondContact O-N 3.36Å; L71-M102 HydrophobicContact CD1-CE 4.19Å; L71-M102 HydrophobicContact CD1-SD 3.83Å; L71-F141 HydrophobicContact CB-CE2 3.95Å; L71-F141 HydrophobicContact CB-CZ 4.4Å; L71-F141 VanDerWaalsContact N-CE2 3.27Å; L71-Y148 HydrophobicContact CD1-CD1 4.27Å; L71-Y148 HydrophobicContact CD1-CE1 3.74Å; L71-L366 HydrophobicContact CD1-CD2 4.23Å; L71-L366 HydrophobicContact CD2-CD2 3.71Å; L71-I368 HydrophobicContact CD2-CD1 3.74Å
72	D	97.3	Very high	95.9	Very high	124 Å²	124	62.8 Å²	62.8	66%	0.663	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-69.9	-11.9	-177.1	-70.6	-22.7	0	0	0	113.1	C70 F74 K94	C70-D72 VanDerWaalsContact C-N 3.25Å; C70-D72 PolarHBondContact O-N 3.22Å; D72-F74 PolarHBondContact O-N 3.09Å; D72-K94 WeakPolarHBondContact O-CD 3.49Å; D72-K94 VanDerWaalsContact O-CE 3.32Å; D72-K94 WeakPolarHBondContact O-CE 3.26Å; D72-K94 PolarHBondContact O-NZ 3.05Å
73	D	98.3	Very high	95.4	Very high	59 Å²	59	60.1 Å²	60.1	32%	0.316	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-73.6	-7.6	173.8	-59.7	-37.6	0	0	0	112.7	C70 L71 H93 K94	C70-D73 PolarHBondContact N-OD2 2.8Å; C70-D73 WeakPolarHBondContact O-CB 3.41Å; C70-D73 PolarHBondContact O-N 3.28Å; C70-D73 PolarHBondContact SG-OD2 3.25Å; L71-D73 PolarHBondContact O-N 3.44Å; D73-H93 PolarHBondContact O-CD2 3.41Å; D73-K94 WeakPolarHBondContact O-CB 3.47Å; D73-K94 WeakPolarHBondContact O-CG 3.41Å; D73-K94 PolarHBondContact O-N 3.3Å
74	F	98.5	Very high	95	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.035	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.2	-171.5	-58.1	-88.2	0	0	0	113.1	A69 C70 L71 D72 V91 K92 H93 Y100 M102 F139 F141 V150	A69-F74 HydrophobicContact CB-CE2 3.9Å; A69-F74 HydrophobicContact CB-CZ 4.2Å; C70-F74 VanDerWaalsContact O-CD2 3.29Å; C70-F74 WeakPolarHBondContact O-CD2 3.42Å; C70-F74 WeakPolarHBondContact O-CE2 3.37Å; L71-F74 PolarHBondContact O-N 3.36Å; D72-F74 PolarHBondContact O-N 3.09Å; F74-V91 HydrophobicContact CB-CB 4.13Å; F74-V91 HydrophobicContact CB-CG2 4.36Å; F74-V91 HydrophobicContact CD1-CB 4.37Å; F74-V91 HydrophobicContact CD1-CG2 3.73Å; F74-V91 HydrophobicContact CE1-CG2 4.46Å; F74-V91 HydrophobicContact CG-CG2 4.3Å; F74-K92 CarbonylContact C-O 3.48Å; F74-K92 WeakPolarHBondContact CA-O 3.14Å; F74-H93 HydrophobicContact CD1-CB 3.95Å; F74-H93 HydrophobicContact CE1-CB 3.79Å; F74-H93 AromaticContact CE1-CD2 3.63Å; F74-H93 AromaticContact CZ-CD2 3.84Å; F74-Y100 HydrophobicContact CE1-CD2 4.19Å; F74-M102 HydrophobicContact CB-CE 3.86Å; F74-M102 HydrophobicContact CD1-CE 4.17Å; F74-M102 HydrophobicContact CD2-CE 3.5Å; F74-M102 HydrophobicContact CE2-CE 4.07Å; F74-M102 HydrophobicContact CG-CE 3.57Å; F74-F139 HydrophobicContact CE1-CD2 4.21Å; F74-F139 HydrophobicContact CE1-CE2 4.31Å; F74-F139 AromaticContact CZ-CD2 3.76Å; F74-F139 HydrophobicContact CZ-CD2 3.76Å; F74-F139 HydrophobicContact CZ-CE2 4.12Å; F74-F139 HydrophobicContact CZ-CG 4.23Å; F74-F141 HydrophobicContact CD2-CE1 4.46Å; F74-F141 HydrophobicContact CD2-CZ 4.4Å; F74-F141 AromaticContact CE2-CE1 3.86Å; F74-F141 HydrophobicContact CE2-CE1 3.86Å; F74-F141 HydrophobicContact CE2-CZ 4.24Å; F74-V150 HydrophobicContact CE1-CG1 3.92Å; F74-V150 HydrophobicContact CE2-CG2 4.36Å; F74-V150 HydrophobicContact CZ-CG1 4.16Å; F74-V150 HydrophobicContact CZ-CG2 4.07Å
75	D	98	Very high	94.8	Very high	77 Å²	77	58.2 Å²	58.2	41%	0.412	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.7	164.2	-64.4	-43.7	0	0	0	109.2	V91 K92 K94	D75-V91 CarbonylContact O-C 3.59Å; D75-V91 WeakPolarHBondContact O-CA 3.21Å; D75-V91 WeakPolarHBondContact O-CB 3.46Å; D75-K92 HydrophobicContact CB-CB 4.48Å; D75-K92 PolarHBondContact N-O 2.85Å; D75-K92 PolarHBondContact O-N 2.53Å; D75-K94 WeakPolarHBondContact OD1-CE 3.44Å; D75-K94 IonicContact OD1-NZ 3.24Å
76	R	96.6	Very high	94.8	Very high	128 Å²	128	56.7 Å²	56.7	48%	0.483	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.7	177.6	-63.5	170.1	-65.6	-147.5	-3.9	109.9	M89 V91	R76-M89 HydrophobicContact CB-CE 4.04Å; R76-V91 HydrophobicContact CG-CG1 4.22Å
77	I	96.5	Very high	94.9	Very high	81 Å²	81	53.1 Å²	53.1	42%	0.415	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-62.2	-169.7	-59.3	174.9	0	0	0	112	L90 K92 Y99	I77-L90 HydrophobicContact CB-CB 4.39Å; I77-L90 HydrophobicContact CB-CD2 4.3Å; I77-L90 HydrophobicContact CB-CG 4.2Å; I77-L90 WeakPolarHBondContact CB-O 3.37Å; I77-L90 HydrophobicContact CD1-CD2 4.43Å; I77-L90 HydrophobicContact CD1-CG 4.26Å; I77-L90 HydrophobicContact CG2-CD2 4.08Å; I77-L90 PolarHBondContact N-O 3.44Å; I77-K92 HydrophobicContact CD1-CB 3.92Å; I77-Y99 HydrophobicContact CD1-CD1 3.88Å; I77-Y99 HydrophobicContact CD1-CE1 3.49Å; I77-Y99 VanDerWaalsContact CD1-CE1 3.49Å
78	K	96.4	Very high	95	Very high	35 Å²	35	50.2 Å²	50.2	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141.2	-173.3	179.7	-179.1	169.8	-175.5	0	110.4	L80 M89 L90 A355 F358 D359 D360 E363	K78-L80 PolarHBondContact O-N 3.23Å; K78-M89 CarbonylContact O-C 3.48Å; K78-M89 VanDerWaalsContact O-CA 3.3Å; K78-M89 WeakPolarHBondContact O-CA 3.33Å; K78-L90 PolarHBondContact O-N 3.08Å; K78-A355 HydrophobicContact CD-CB 4.13Å; K78-F358 PolarHBondContact NZ-O 2.97Å; K78-D359 WeakPolarHBondContact CE-O 3.41Å; K78-D359 PolarHBondContact NZ-O 3.33Å; K78-D360 VanDerWaalsContact CE-OD1 3.26Å; K78-D360 WeakPolarHBondContact CE-OD1 3.34Å; K78-D360 IonicContact NZ-OD1 3.24Å; K78-D360 PolarHBondContact NZ-OD1 3.09Å; K78-E363 WeakPolarHBondContact CA-OE1 3.43Å
79	T	97	Very high	95	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	120.7	167.4	-63.6	0	0	0	0	109.8	T82 R87 V88 Y361 E363	T79-T82 HydrophobicContact CG2-CG2 4.05Å; T79-R87 HydrophobicContact CG2-CB 4.24Å; T79-V88 CarbonylContact C-O 3.48Å; T79-Y361 HydrophobicContact CG2-CD2 4.42Å; T79-Y361 HydrophobicContact CG2-CG 4.15Å; T79-E363 PolarHBondContact N-OE1 3.44Å; T79-E363 PolarHBondContact N-OE2 2.83Å; T79-E363 PolarHBondContact OG1-OE2 2.67Å
80	L	95.2	Very high	95	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-23.8	-179.4	-63.1	175.8	0	0	0	112.9	K78 V88 L90 A101 F153 A355 F358 Y361	K78-L80 PolarHBondContact O-N 3.23Å; L80-V88 HydrophobicContact CB-CG1 4.38Å; L80-V88 HydrophobicContact CD1-CG1 4.29Å; L80-V88 PolarHBondContact N-O 3.33Å; L80-L90 HydrophobicContact CD1-CB 4.04Å; L80-L90 HydrophobicContact CD2-CB 4.04Å; L80-L90 HydrophobicContact CG-CB 4.02Å; L80-A101 HydrophobicContact CD1-CB 4.21Å; L80-F153 HydrophobicContact CD1-CD2 3.83Å; L80-F153 HydrophobicContact CD1-CE2 3.65Å; L80-F153 HydrophobicContact CD2-CE2 4.09Å; L80-A355 HydrophobicContact CD2-CB 3.72Å; L80-F358 HydrophobicContact CB-CD1 4.17Å; L80-F358 HydrophobicContact CD2-CB 4.11Å; L80-F358 HydrophobicContact CD2-CD1 4.27Å; L80-F358 HydrophobicContact CD2-CD2 3.91Å; L80-F358 HydrophobicContact CD2-CE2 4.39Å; L80-F358 HydrophobicContact CD2-CG 3.83Å; L80-Y361 WeakPolarHBondContact O-CE2 3.31Å
81	G	93.7	Very high	95.1	Very high	16 Å²	16	44.2 Å²	44.2	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	153.6	-178.2	0	0	0	0	0	112	R87 V88	G81-R87 CarbonylContact O-C 3.58Å; G81-R87 WeakPolarHBondContact O-CA 3.39Å; G81-R87 WeakPolarHBondContact O-CB 3.43Å; G81-V88 PolarHBondContact N-O 3.01Å; G81-V88 PolarHBondContact O-N 3.43Å
82	T	92.7	Very high	95.2	Very high	90 Å²	90	46.8 Å²	46.8	55%	0.552	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.9	178.6	56.6	0	0	0	0	110.6	T79 R87 Y361	T79-T82 HydrophobicContact CG2-CG2 4.05Å; T82-R87 HydrophobicContact CG2-CB 4.35Å; T82-Y361 HydrophobicContact CG2-CD1 3.73Å; T82-Y361 HydrophobicContact CG2-CE1 4.25Å; T82-Y361 HydrophobicContact CG2-CG 4.32Å
83	G	86.6	Confident	95.2	Very high	53 Å²	53	41.6 Å²	41.6	55%	0.546	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	178.7	175.3	0	0	0	0	0	112	F85 G86	G83-F85 VanDerWaalsContact C-N 3.27Å; G83-F85 PolarHBondContact O-N 3.4Å; G83-G86 CarbonylContact C-O 3.56Å; G83-G86 PolarHBondContact N-O 3.07Å; G83-G86 PolarHBondContact O-N 3.21Å; G83-G86 VanDerWaalsContact O-O 3.06Å
84	S	85.3	Confident	95.2	Very high	81 Å²	81	44.1 Å²	44.1	57%	0.566	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.1	-178.3	46.8	0	0	0	0	114.4
85	F	89.4	Confident	95.2	Very high	47 Å²	47	52.2 Å²	52.2	21%	0.206	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-2.1	-175.5	-34.6	-68	0	0	0	113.7	G83 L105 D106 K109 V110 L113 Q115	G83-F85 VanDerWaalsContact C-N 3.27Å; G83-F85 PolarHBondContact O-N 3.4Å; F85-L105 HydrophobicContact CB-CD2 4.32Å; F85-D106 PolarHBondContact O-N 2.66Å; F85-K109 HydrophobicContact CB-CB 4.47Å; F85-V110 HydrophobicContact CB-CG2 3.91Å; F85-V110 HydrophobicContact CG-CG2 4.37Å; F85-L113 HydrophobicContact CD1-CB 3.93Å; F85-L113 HydrophobicContact CD1-CD1 3.43Å; F85-L113 VanDerWaalsContact CD1-CD1 3.43Å; F85-L113 HydrophobicContact CD1-CG 4.24Å; F85-L113 HydrophobicContact CE1-CB 3.38Å; F85-L113 HydrophobicContact CE1-CD1 3.32Å; F85-L113 HydrophobicContact CE1-CG 3.87Å; F85-L113 HydrophobicContact CZ-CB 4.41Å; F85-Q115 HydrophobicContact CD1-CG 4.49Å; F85-Q115 HydrophobicContact CE1-CG 3.72Å; F85-Q115 HydrophobicContact CE2-CB 4.48Å; F85-Q115 HydrophobicContact CE2-CG 3.82Å; F85-Q115 HydrophobicContact CZ-CB 4.36Å; F85-Q115 HydrophobicContact CZ-CG 3.36Å
86	G	91.7	Very high	95.1	Very high	21 Å²	21	51.3 Å²	51.3	22%	0.216	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-160.4	-166	0	0	0	0	0	114.2	G83 I104	G83-G86 CarbonylContact C-O 3.56Å; G83-G86 PolarHBondContact N-O 3.07Å; G83-G86 PolarHBondContact O-N 3.21Å; G83-G86 VanDerWaalsContact O-O 3.06Å; G86-I104 CarbonylContact C-O 3.59Å; G86-I104 WeakPolarHBondContact CA-O 3.48Å
87	R	95.8	Very high	95.2	Very high	25 Å²	25	46.5 Å²	46.5	9%	0.094	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.8	-178	59.6	178.2	155.9	178.3	-8.2	111.4	T79 G81 T82 M89 I104 E364	T79-R87 HydrophobicContact CG2-CB 4.24Å; G81-R87 CarbonylContact O-C 3.58Å; G81-R87 WeakPolarHBondContact O-CA 3.39Å; G81-R87 WeakPolarHBondContact O-CB 3.43Å; T82-R87 HydrophobicContact CG2-CB 4.35Å; R87-M89 HydrophobicContact CG-CG 4.28Å; R87-I104 PolarHBondContact N-O 3.35Å; R87-I104 PolarHBondContact O-N 2.86Å; R87-E364 PolarHBondContact NH1-O 3.45Å; R87-E364 PolarHBondContact NH2-O 2.76Å
88	V	96.8	Very high	95.2	Very high	42 Å²	42	46.7 Å²	46.7	26%	0.255	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128	171.5	-176.2	0	0	0	0	107.8	T79 L80 G81 A101 M102 K103	T79-V88 CarbonylContact C-O 3.48Å; L80-V88 HydrophobicContact CB-CG1 4.38Å; L80-V88 HydrophobicContact CD1-CG1 4.29Å; L80-V88 PolarHBondContact N-O 3.33Å; G81-V88 PolarHBondContact N-O 3.01Å; G81-V88 PolarHBondContact O-N 3.43Å; V88-A101 HydrophobicContact CG1-CB 3.9Å; V88-M102 CarbonylContact C-O 3.57Å; V88-M102 WeakPolarHBondContact CA-O 3.42Å; V88-K103 HydrophobicContact CG2-CB 4.23Å; V88-K103 HydrophobicContact CG2-CG 4.16Å
89	M	97.6	Very high	95.3	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.9	177.7	-62	-171.1	78.1	0	0	110.9	R76 K78 R87 V91 A101 M102 I104	R76-M89 HydrophobicContact CB-CE 4.04Å; K78-M89 CarbonylContact O-C 3.48Å; K78-M89 VanDerWaalsContact O-CA 3.3Å; K78-M89 WeakPolarHBondContact O-CA 3.33Å; R87-M89 HydrophobicContact CG-CG 4.28Å; M89-V91 HydrophobicContact CB-CG1 4.29Å; M89-V91 PolarHBondContact O-N 3.1Å; M89-A101 CarbonylContact O-C 3.53Å; M89-A101 WeakPolarHBondContact O-CA 3.35Å; M89-M102 PolarHBondContact N-O 2.89Å; M89-M102 PolarHBondContact O-N 3.46Å; M89-I104 HydrophobicContact CG-CD1 3.97Å; M89-I104 HydrophobicContact SD-CD1 3.65Å
90	L	98.1	Very high	95.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	126.6	160.3	179.4	62.6	0	0	0	108.4	I77 K78 L80 Y99 Y100 F153 G353 A355	I77-L90 HydrophobicContact CB-CB 4.39Å; I77-L90 HydrophobicContact CB-CD2 4.3Å; I77-L90 HydrophobicContact CB-CG 4.2Å; I77-L90 WeakPolarHBondContact CB-O 3.37Å; I77-L90 HydrophobicContact CD1-CD2 4.43Å; I77-L90 HydrophobicContact CD1-CG 4.26Å; I77-L90 HydrophobicContact CG2-CD2 4.08Å; I77-L90 PolarHBondContact N-O 3.44Å; K78-L90 PolarHBondContact O-N 3.08Å; L80-L90 HydrophobicContact CD1-CB 4.04Å; L80-L90 HydrophobicContact CD2-CB 4.04Å; L80-L90 HydrophobicContact CG-CB 4.02Å; L90-Y99 HydrophobicContact CD1-CD1 3.95Å; L90-Y99 HydrophobicContact CD1-CG 4.49Å; L90-Y99 HydrophobicContact CD2-CD1 4.45Å; L90-Y99 HydrophobicContact CG-CD1 4.31Å; L90-Y100 WeakPolarHBondContact CA-O 3.34Å; L90-F153 HydrophobicContact CD1-CB 4.33Å; L90-F153 HydrophobicContact CD1-CD1 3.72Å; L90-F153 HydrophobicContact CD1-CD2 3.8Å; L90-F153 HydrophobicContact CD1-CE1 3.89Å; L90-F153 HydrophobicContact CD1-CE2 3.98Å; L90-F153 HydrophobicContact CD1-CG 3.67Å; L90-F153 HydrophobicContact CD1-CZ 4.02Å; L90-G353 WeakPolarHBondContact CD2-O 3.27Å; L90-A355 HydrophobicContact CD2-CB 4.14Å
91	V	98.4	Very high	95.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.3	176.5	-56.9	0	0	0	0	110.6	F74 D75 R76 M89 Y99 Y100 M102	F74-V91 HydrophobicContact CB-CB 4.13Å; F74-V91 HydrophobicContact CB-CG2 4.36Å; F74-V91 HydrophobicContact CD1-CB 4.37Å; F74-V91 HydrophobicContact CD1-CG2 3.73Å; F74-V91 HydrophobicContact CE1-CG2 4.46Å; F74-V91 HydrophobicContact CG-CG2 4.3Å; D75-V91 CarbonylContact O-C 3.59Å; D75-V91 WeakPolarHBondContact O-CA 3.21Å; D75-V91 WeakPolarHBondContact O-CB 3.46Å; R76-V91 HydrophobicContact CG-CG1 4.22Å; M89-V91 HydrophobicContact CB-CG1 4.29Å; M89-V91 PolarHBondContact O-N 3.1Å; V91-Y99 CarbonylContact O-C 3.57Å; V91-Y99 VanDerWaalsContact O-CA 3.31Å; V91-Y99 WeakPolarHBondContact O-CA 3.31Å; V91-Y100 PolarHBondContact N-O 2.9Å; V91-Y100 PolarHBondContact O-N 3.31Å; V91-M102 HydrophobicContact CG1-CB 3.69Å; V91-M102 HydrophobicContact CG1-CE 4.11Å; V91-M102 HydrophobicContact CG1-SD 4.14Å; V91-M102 HydrophobicContact CG2-CB 3.96Å; V91-M102 HydrophobicContact CG2-CE 4.19Å
92	K	98.6	Very high	95.8	Very high	73 Å²	73	48.8 Å²	48.8	32%	0.317	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.7	170.1	-177.3	177.5	-177.9	179.9	0	109.3	F74 D75 I77 K94 G97 N98 Y99	F74-K92 CarbonylContact C-O 3.48Å; F74-K92 WeakPolarHBondContact CA-O 3.14Å; D75-K92 HydrophobicContact CB-CB 4.48Å; D75-K92 PolarHBondContact N-O 2.85Å; D75-K92 PolarHBondContact O-N 2.53Å; I77-K92 HydrophobicContact CD1-CB 3.92Å; K92-K94 PolarHBondContact O-N 3.45Å; K92-G97 WeakPolarHBondContact CE-O 3.5Å; K92-N98 CarbonylContact C-O 3.51Å; K92-N98 WeakPolarHBondContact CA-O 2.97Å; K92-Y99 HydrophobicContact CB-CD1 4.25Å; K92-Y99 HydrophobicContact CB-CE1 4.17Å; K92-Y99 HydrophobicContact CD-CE1 4.3Å; K92-Y99 HydrophobicContact CD-CE2 4.48Å; K92-Y99 HydrophobicContact CG-CE1 4.45Å
93	H	98.6	Very high	96	Very high	15 Å²	15	46.3 Å²	46.3	7%	0.069	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	121.4	174.2	-177.7	-127	0	0	0	109.4	D73 F74 Q95 S96 G97 N98 Y100	D73-H93 PolarHBondContact O-CD2 3.41Å; F74-H93 HydrophobicContact CD1-CB 3.95Å; F74-H93 HydrophobicContact CE1-CB 3.79Å; F74-H93 AromaticContact CE1-CD2 3.63Å; F74-H93 AromaticContact CZ-CD2 3.84Å; H93-Q95 VanDerWaalsContact C-N 3.34Å; H93-Q95 PolarHBondContact O-N 3.36Å; H93-S96 PolarHBondContact ND1-N 2.91Å; H93-S96 PolarHBondContact ND1-OG 3.31Å; H93-G97 VanDerWaalsContact O-CA 3.28Å; H93-G97 WeakPolarHBondContact O-CA 3.5Å; H93-G97 PolarHBondContact O-N 2.92Å; H93-N98 PolarHBondContact N-O 2.87Å; H93-Y100 HydrophobicContact CB-CD2 3.99Å; H93-Y100 HydrophobicContact CB-CE2 3.66Å
94	K	98.4	Very high	96.5	Very high	112 Å²	112	44 Å²	44	49%	0.487	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-41.6	-170.4	-71.6	175.4	179.2	171.1	0	112.5	D72 D73 D75 K92	D72-K94 WeakPolarHBondContact O-CD 3.49Å; D72-K94 VanDerWaalsContact O-CE 3.32Å; D72-K94 WeakPolarHBondContact O-CE 3.26Å; D72-K94 PolarHBondContact O-NZ 3.05Å; D73-K94 WeakPolarHBondContact O-CB 3.47Å; D73-K94 WeakPolarHBondContact O-CG 3.41Å; D73-K94 PolarHBondContact O-N 3.3Å; D75-K94 WeakPolarHBondContact OD1-CE 3.44Å; D75-K94 IonicContact OD1-NZ 3.24Å; K92-K94 PolarHBondContact O-N 3.45Å
95	Q	97.4	Very high	97.1	Very high	178 Å²	178	40.6 Å²	40.6	83%	0.832	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-45.6	-175	-170.9	-176.6	24.3	0	0	112.7	H93	H93-Q95 VanDerWaalsContact C-N 3.34Å; H93-Q95 PolarHBondContact O-N 3.36Å
96	S	97.4	Very high	97.5	Very high	58 Å²	58	40.3 Å²	40.3	41%	0.406	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-17.4	-175.9	65.1	0	0	0	0	114	H93 N98	H93-S96 PolarHBondContact ND1-N 2.91Å; H93-S96 PolarHBondContact ND1-OG 3.31Å; S96-N98 PolarHBondContact O-N 3.19Å; S96-N98 WeakPolarHBondContact OG-CB 3.47Å; S96-N98 PolarHBondContact OG-N 3.18Å; S96-N98 PolarHBondContact OG-ND2 3.06Å
97	G	97.4	Very high	97.8	Very high	28 Å²	28	39.4 Å²	39.4	29%	0.289	20%	0.2	S	C	.	.			trans	73	2.7	-172.7	0	0	0	0	0	114.6	K92 H93	K92-G97 WeakPolarHBondContact CE-O 3.5Å; H93-G97 VanDerWaalsContact O-CA 3.28Å; H93-G97 WeakPolarHBondContact O-CA 3.5Å; H93-G97 PolarHBondContact O-N 2.92Å
98	N	97.8	Very high	97.9	Very high	84 Å²	84	43.2 Å²	43.2	45%	0.449	22%	0.219	S	C	.	.			trans	-73.7	147.6	179.9	-68.2	-18.9	0	0	0	111.9	K92 H93 S96 Y100	K92-N98 CarbonylContact C-O 3.51Å; K92-N98 WeakPolarHBondContact CA-O 2.97Å; H93-N98 PolarHBondContact N-O 2.87Å; S96-N98 PolarHBondContact O-N 3.19Å; S96-N98 WeakPolarHBondContact OG-CB 3.47Å; S96-N98 PolarHBondContact OG-N 3.18Å; S96-N98 PolarHBondContact OG-ND2 3.06Å; N98-Y100 HydrophobicContact CB-CD2 4.44Å; N98-Y100 HydrophobicContact CB-CE2 3.61Å
99	Y	98.2	Very high	97.9	Very high	70 Å²	70	45.9 Å²	45.9	28%	0.275	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141.3	175.7	-67.6	-94.3	0	0	0	111.2	I77 L90 V91 K92 P352	I77-Y99 HydrophobicContact CD1-CD1 3.88Å; I77-Y99 HydrophobicContact CD1-CE1 3.49Å; I77-Y99 VanDerWaalsContact CD1-CE1 3.49Å; L90-Y99 HydrophobicContact CD1-CD1 3.95Å; L90-Y99 HydrophobicContact CD1-CG 4.49Å; L90-Y99 HydrophobicContact CD2-CD1 4.45Å; L90-Y99 HydrophobicContact CG-CD1 4.31Å; V91-Y99 CarbonylContact O-C 3.57Å; V91-Y99 VanDerWaalsContact O-CA 3.31Å; V91-Y99 WeakPolarHBondContact O-CA 3.31Å; K92-Y99 HydrophobicContact CB-CD1 4.25Å; K92-Y99 HydrophobicContact CB-CE1 4.17Å; K92-Y99 HydrophobicContact CD-CE1 4.3Å; K92-Y99 HydrophobicContact CD-CE2 4.48Å; K92-Y99 HydrophobicContact CG-CE1 4.45Å; Y99-P352 HydrophobicContact CD2-CB 3.81Å; Y99-P352 HydrophobicContact CE2-CB 4.08Å
100	Y	98.6	Very high	97.8	Very high	24 Å²	24	45.4 Å²	45.4	9%	0.094	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.6	-179.8	-64	-81.7	0	0	0	111.3	F74 L90 V91 H93 N98 T138 F139 V150 L151	F74-Y100 HydrophobicContact CE1-CD2 4.19Å; L90-Y100 WeakPolarHBondContact CA-O 3.34Å; V91-Y100 PolarHBondContact N-O 2.9Å; V91-Y100 PolarHBondContact O-N 3.31Å; H93-Y100 HydrophobicContact CB-CD2 3.99Å; H93-Y100 HydrophobicContact CB-CE2 3.66Å; N98-Y100 HydrophobicContact CB-CD2 4.44Å; N98-Y100 HydrophobicContact CB-CE2 3.61Å; Y100-T138 HydrophobicContact CE1-CG2 4.1Å; Y100-T138 WeakPolarHBondContact CE1-OG1 3.28Å; Y100-F139 HydrophobicContact CE1-CE2 4.39Å; Y100-F139 HydrophobicContact CE2-CE2 4.08Å; Y100-F139 AromaticContact CZ-CE2 3.92Å; Y100-V150 HydrophobicContact CD1-CG1 3.98Å; Y100-V150 HydrophobicContact CD2-CG1 4.22Å; Y100-V150 HydrophobicContact CG-CG1 3.61Å; Y100-L151 CarbonylContact C-O 3.54Å; Y100-L151 WeakPolarHBondContact CA-O 3.34Å; Y100-L151 WeakPolarHBondContact CB-O 3.48Å; Y100-L151 WeakPolarHBondContact CD1-O 2.84Å
101	A	98.3	Very high	97.8	Very high	13 Å²	13	47.7 Å²	47.7	11%	0.107	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	108.9	166.3	0	0	0	0	0	108.7	L80 V88 M89 L151	L80-A101 HydrophobicContact CD1-CB 4.21Å; V88-A101 HydrophobicContact CG1-CB 3.9Å; M89-A101 CarbonylContact O-C 3.53Å; M89-A101 WeakPolarHBondContact O-CA 3.35Å; A101-L151 PolarHBondContact N-O 2.89Å; A101-L151 WeakPolarHBondContact O-CD1 3.26Å; A101-L151 PolarHBondContact O-N 3.33Å
102	M	98.4	Very high	97.7	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.4	177.5	-177.1	-177.1	-74.2	0	0	109.9	L71 F74 V88 M89 V91 I104 F141 Y148 M149 V150	L71-M102 HydrophobicContact CD1-CE 4.19Å; L71-M102 HydrophobicContact CD1-SD 3.83Å; F74-M102 HydrophobicContact CB-CE 3.86Å; F74-M102 HydrophobicContact CD1-CE 4.17Å; F74-M102 HydrophobicContact CD2-CE 3.5Å; F74-M102 HydrophobicContact CE2-CE 4.07Å; F74-M102 HydrophobicContact CG-CE 3.57Å; V88-M102 CarbonylContact C-O 3.57Å; V88-M102 WeakPolarHBondContact CA-O 3.42Å; M89-M102 PolarHBondContact N-O 2.89Å; M89-M102 PolarHBondContact O-N 3.46Å; V91-M102 HydrophobicContact CG1-CB 3.69Å; V91-M102 HydrophobicContact CG1-CE 4.11Å; V91-M102 HydrophobicContact CG1-SD 4.14Å; V91-M102 HydrophobicContact CG2-CB 3.96Å; V91-M102 HydrophobicContact CG2-CE 4.19Å; M102-I104 HydrophobicContact CG-CD1 4.46Å; M102-I104 HydrophobicContact CG-CG1 3.86Å; M102-I104 HydrophobicContact SD-CD1 4.2Å; M102-I104 HydrophobicContact SD-CG1 4.09Å; M102-F141 HydrophobicContact CE-CE1 4.38Å; M102-F141 HydrophobicContact CE-CZ 3.92Å; M102-Y148 HydrophobicContact CG-CD1 4.18Å; M102-Y148 HydrophobicContact SD-CD1 3.73Å; M102-Y148 HydrophobicContact SD-CE1 4.27Å; M102-M149 CarbonylContact C-O 3.59Å; M102-M149 WeakPolarHBondContact CA-O 3.42Å; M102-V150 HydrophobicContact CE-CG2 3.91Å; M102-V150 HydrophobicContact CG-CG2 4.21Å
103	K	97.4	Very high	97.5	Very high	37 Å²	37	56.6 Å²	56.6	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	116.2	169.7	-171.8	171.6	-176.3	-175.3	0	108.5	V88 L105 E122 Y148 M149 L151 D215	V88-K103 HydrophobicContact CG2-CB 4.23Å; V88-K103 HydrophobicContact CG2-CG 4.16Å; K103-L105 HydrophobicContact CG-CD2 4.31Å; K103-L105 HydrophobicContact CG-CG 4.42Å; K103-E122 IonicContact NZ-OE1 3.8Å; K103-E122 PolarHBondContact NZ-OE1 3.37Å; K103-E122 IonicContact NZ-OE2 2.67Å; K103-E122 PolarHBondContact NZ-OE2 2.99Å; K103-Y148 WeakPolarHBondContact O-CA 3.4Å; K103-M149 HydrophobicContact CB-CB 4.35Å; K103-M149 HydrophobicContact CD-CE 3.86Å; K103-M149 HydrophobicContact CG-CE 4.3Å; K103-M149 PolarHBondContact N-O 3.44Å; K103-M149 PolarHBondContact O-N 3.29Å; K103-L151 HydrophobicContact CB-CD1 3.9Å; K103-D215 IonicContact NZ-OD1 2.83Å
104	I	97.8	Very high	97.4	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.7	-177.2	-51.3	173.6	0	0	0	108.1	G86 R87 M89 M102 N146 Y148 L366	G86-I104 CarbonylContact C-O 3.59Å; G86-I104 WeakPolarHBondContact CA-O 3.48Å; R87-I104 PolarHBondContact N-O 3.35Å; R87-I104 PolarHBondContact O-N 2.86Å; M89-I104 HydrophobicContact CG-CD1 3.97Å; M89-I104 HydrophobicContact SD-CD1 3.65Å; M102-I104 HydrophobicContact CG-CD1 4.46Å; M102-I104 HydrophobicContact CG-CG1 3.86Å; M102-I104 HydrophobicContact SD-CD1 4.2Å; M102-I104 HydrophobicContact SD-CG1 4.09Å; I104-N146 HydrophobicContact CG2-CB 4.05Å; I104-Y148 HydrophobicContact CB-CD1 4.43Å; I104-Y148 HydrophobicContact CB-CE1 4.4Å; I104-Y148 HydrophobicContact CD1-CE1 4.4Å; I104-Y148 HydrophobicContact CG1-CD1 3.96Å; I104-Y148 HydrophobicContact CG1-CE1 4.04Å; I104-Y148 HydrophobicContact CG2-CD1 4.13Å; I104-Y148 HydrophobicContact CG2-CE1 3.7Å; I104-L366 HydrophobicContact CD1-CD2 4.23Å; I104-L366 HydrophobicContact CG2-CD1 3.77Å
105	L	97.3	Very high	97.2	Very high	10 Å²	10	61.5 Å²	61.5	5%	0.052	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.5	-177.8	-57.7	170.5	0	0	0	110.7	F85 K103 K107 V110 T119 N146 L147 M149	F85-L105 HydrophobicContact CB-CD2 4.32Å; K103-L105 HydrophobicContact CG-CD2 4.31Å; K103-L105 HydrophobicContact CG-CG 4.42Å; L105-K107 PolarHBondContact O-N 3.24Å; L105-V110 HydrophobicContact CB-CG2 4.15Å; L105-T119 HydrophobicContact CD1-CG2 3.62Å; L105-N146 CarbonylContact O-C 3.48Å; L105-N146 WeakPolarHBondContact O-CA 3.25Å; L105-L147 HydrophobicContact CB-CB 4.25Å; L105-L147 PolarHBondContact N-O 3.23Å; L105-L147 PolarHBondContact O-N 3.07Å; L105-M149 HydrophobicContact CD1-CE 3.53Å
106	D	97.4	Very high	97.2	Very high	42 Å²	42	54.6 Å²	54.6	23%	0.225	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.7	175	176.7	-45.8	0	0	0	109.7	F85 Q108 K109 V110	F85-D106 PolarHBondContact O-N 2.66Å; D106-Q108 VanDerWaalsContact C-N 3.28Å; D106-Q108 PolarHBondContact O-N 3.23Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.18Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.46Å; D106-Q108 PolarHBondContact OD1-N 2.81Å; D106-K109 HydrophobicContact CB-CB 3.99Å; D106-K109 HydrophobicContact CB-CD 3.91Å; D106-K109 HydrophobicContact CB-CG 3.9Å; D106-K109 PolarHBondContact O-N 2.81Å; D106-K109 PolarHBondContact OD1-N 3.46Å; D106-V110 WeakPolarHBondContact O-CG2 3.48Å; D106-V110 PolarHBondContact O-N 3.41Å
107	K	97.9	Very high	97	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-41.6	-176.8	-71.7	-177.5	-173.7	-177	0	112.4	L105 V110 V111 D143 S145 N146 L147 K373 C374 F378	L105-K107 PolarHBondContact O-N 3.24Å; K107-V110 PolarHBondContact O-N 3.33Å; K107-V111 WeakPolarHBondContact O-CG2 3.15Å; K107-V111 PolarHBondContact O-N 3.05Å; K107-D143 WeakPolarHBondContact CE-O 3.48Å; K107-D143 PolarHBondContact NZ-O 2.94Å; K107-S145 WeakPolarHBondContact CB-O 3.46Å; K107-S145 WeakPolarHBondContact CG-O 3.28Å; K107-S145 PolarHBondContact N-O 3.13Å; K107-N146 WeakPolarHBondContact CE-O 3.35Å; K107-L147 HydrophobicContact CD-CD2 4.2Å; K107-L147 HydrophobicContact CG-CD1 4.47Å; K107-L147 HydrophobicContact CG-CD2 3.87Å; K107-L147 HydrophobicContact CG-CG 3.81Å; K107-K373 WeakPolarHBondContact CD-O 3.25Å; K107-K373 PolarHBondContact NZ-O 3.16Å; K107-C374 HydrophobicContact CB-CB 4.02Å; K107-C374 HydrophobicContact CD-CB 4.42Å; K107-F378 HydrophobicContact CB-CD2 4Å; K107-F378 HydrophobicContact CB-CE2 3.72Å; K107-F378 HydrophobicContact CD-CD2 3.96Å; K107-F378 HydrophobicContact CG-CD2 3.78Å; K107-F378 HydrophobicContact CG-CE2 3.93Å
108	Q	97.3	Very high	96.8	Very high	106 Å²	106	58.4 Å²	58.4	50%	0.495	28%	0.276	S	S	.	.	H	α-helix	trans	-70	-39.2	-178.1	-59.3	-171.8	-89.5	0	0	111	D106 V111 K112 K373	D106-Q108 VanDerWaalsContact C-N 3.28Å; D106-Q108 PolarHBondContact O-N 3.23Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.18Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.46Å; D106-Q108 PolarHBondContact OD1-N 2.81Å; Q108-V111 PolarHBondContact O-N 2.92Å; Q108-K112 VanDerWaalsContact O-CB 3.27Å; Q108-K112 WeakPolarHBondContact O-CB 3.34Å; Q108-K112 PolarHBondContact O-N 2.97Å; Q108-K373 HydrophobicContact CG-CB 4.05Å; Q108-K373 HydrophobicContact CG-CG 4.28Å
109	K	96.9	Very high	96.7	Very high	98 Å²	98	54.7 Å²	54.7	43%	0.426	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-43.4	174.3	-68.2	-175.7	-172.7	176.9	0	111.6	F85 D106 V111 K112 L113	F85-K109 HydrophobicContact CB-CB 4.47Å; D106-K109 HydrophobicContact CB-CB 3.99Å; D106-K109 HydrophobicContact CB-CD 3.91Å; D106-K109 HydrophobicContact CB-CG 3.9Å; D106-K109 PolarHBondContact O-N 2.81Å; D106-K109 PolarHBondContact OD1-N 3.46Å; K109-V111 PolarHBondContact O-N 2.99Å; K109-K112 PolarHBondContact O-N 3Å; K109-L113 WeakPolarHBondContact O-CB 3.47Å; K109-L113 PolarHBondContact O-N 3.16Å
110	V	97.3	Very high	96.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-45.3	177.2	175	0	0	0	0	111.1	F85 L105 D106 K107 K114 Q115 V116 T119 F378	F85-V110 HydrophobicContact CB-CG2 3.91Å; F85-V110 HydrophobicContact CG-CG2 4.37Å; L105-V110 HydrophobicContact CB-CG2 4.15Å; D106-V110 WeakPolarHBondContact O-CG2 3.48Å; D106-V110 PolarHBondContact O-N 3.41Å; K107-V110 PolarHBondContact O-N 3.33Å; V110-K114 PolarHBondContact O-N 3.22Å; V110-Q115 HydrophobicContact CG1-CB 3.99Å; V110-Q115 PolarHBondContact O-N 2.92Å; V110-V116 HydrophobicContact CG1-CG2 4.43Å; V110-T119 VanDerWaalsContact CG1-OG1 3.3Å; V110-T119 WeakPolarHBondContact CG1-OG1 3.49Å; V110-F378 HydrophobicContact CB-CZ 3.85Å; V110-F378 HydrophobicContact CG1-CE1 3.88Å; V110-F378 HydrophobicContact CG1-CZ 3.51Å
111	V	97.3	Very high	96.5	Very high	48 Å²	48	53.4 Å²	53.4	29%	0.291	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-48.5	176.2	172.2	0	0	0	0	111.3	K107 Q108 K109 L113 K114 V116 C374 E377 F378	K107-V111 WeakPolarHBondContact O-CG2 3.15Å; K107-V111 PolarHBondContact O-N 3.05Å; Q108-V111 PolarHBondContact O-N 2.92Å; K109-V111 PolarHBondContact O-N 2.99Å; V111-L113 PolarHBondContact O-N 3.41Å; V111-K114 PolarHBondContact O-N 3.22Å; V111-V116 HydrophobicContact CB-CG2 4.43Å; V111-V116 HydrophobicContact CG2-CG2 3.77Å; V111-C374 HydrophobicContact CG2-CB 4.06Å; V111-E377 HydrophobicContact CG2-CB 4.19Å; V111-E377 HydrophobicContact CG2-CG 4.06Å; V111-F378 HydrophobicContact CG2-CE2 3.75Å; V111-F378 HydrophobicContact CG2-CZ 4.03Å
112	K	96.7	Very high	96.4	Very high	174 Å²	174	53.2 Å²	53.2	76%	0.757	25%	0.253	S	S	*	.	H	α-helix	trans	-56.8	-38	-179.4	-177.4	179	178.2	-177.9	0	112.3	Q108 K109 K114	Q108-K112 VanDerWaalsContact O-CB 3.27Å; Q108-K112 WeakPolarHBondContact O-CB 3.34Å; Q108-K112 PolarHBondContact O-N 2.97Å; K109-K112 PolarHBondContact O-N 3Å; K112-K114 VanDerWaalsContact C-N 3.33Å
113	L	94.6	Very high	96.4	Very high	87 Å²	87	53.4 Å²	53.4	46%	0.455	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	12.7	-178.6	-67.2	162.1	0	0	0	113.3	F85 K109 V111 Q115	F85-L113 HydrophobicContact CD1-CB 3.93Å; F85-L113 HydrophobicContact CD1-CD1 3.43Å; F85-L113 VanDerWaalsContact CD1-CD1 3.43Å; F85-L113 HydrophobicContact CD1-CG 4.24Å; F85-L113 HydrophobicContact CE1-CB 3.38Å; F85-L113 HydrophobicContact CE1-CD1 3.32Å; F85-L113 HydrophobicContact CE1-CG 3.87Å; F85-L113 HydrophobicContact CZ-CB 4.41Å; K109-L113 WeakPolarHBondContact O-CB 3.47Å; K109-L113 PolarHBondContact O-N 3.16Å; V111-L113 PolarHBondContact O-N 3.41Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 HydrophobicContact CB-CG 4.45Å; L113-Q115 WeakPolarHBondContact O-CG 3.49Å; L113-Q115 PolarHBondContact O-N 2.64Å; L113-Q115 PolarHBondContact O-NE2 2.93Å; L113-Q115 VanDerWaalsContact O-NE2 3.12Å
114	K	95	Very high	96.4	Very high	185 Å²	185	55.7 Å²	55.7	80%	0.804	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	37.1	174.6	-53.8	-176.3	179.8	-179.8	0	113.6	V110 V111 K112	V110-K114 PolarHBondContact O-N 3.22Å; V111-K114 PolarHBondContact O-N 3.22Å; K112-K114 VanDerWaalsContact C-N 3.33Å
115	Q	94.9	Very high	96.4	Very high	45 Å²	45	55.5 Å²	55.5	21%	0.21	26%	0.26	C	S	.	.			trans	-103.8	16.3	-178.5	-63.2	-53.6	-54.7	0	0	113.9	F85 V110 L113 H118 T119	F85-Q115 HydrophobicContact CD1-CG 4.49Å; F85-Q115 HydrophobicContact CE1-CG 3.72Å; F85-Q115 HydrophobicContact CE2-CB 4.48Å; F85-Q115 HydrophobicContact CE2-CG 3.82Å; F85-Q115 HydrophobicContact CZ-CB 4.36Å; F85-Q115 HydrophobicContact CZ-CG 3.36Å; V110-Q115 HydrophobicContact CG1-CB 3.99Å; V110-Q115 PolarHBondContact O-N 2.92Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 HydrophobicContact CB-CG 4.45Å; L113-Q115 WeakPolarHBondContact O-CG 3.49Å; L113-Q115 PolarHBondContact O-N 2.64Å; L113-Q115 PolarHBondContact O-NE2 2.93Å; L113-Q115 VanDerWaalsContact O-NE2 3.12Å; Q115-H118 PolarHBondContact O-N 3.39Å; Q115-H118 PolarHBondContact OE1-ND1 2.74Å; Q115-T119 WeakPolarHBondContact O-CB 3.24Å; Q115-T119 PolarHBondContact O-N 2.92Å; Q115-T119 PolarHBondContact O-OG1 3.12Å
116	V	96.3	Very high	96.4	Very high	33 Å²	33	55.1 Å²	55.1	20%	0.2	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-52.4	-177.9	179.7	0	0	0	0	111.3	V110 V111 H118 T119 L120 E377 F378	V110-V116 HydrophobicContact CG1-CG2 4.43Å; V111-V116 HydrophobicContact CB-CG2 4.43Å; V111-V116 HydrophobicContact CG2-CG2 3.77Å; V116-H118 PolarHBondContact O-N 3.09Å; V116-T119 PolarHBondContact O-N 3.26Å; V116-L120 HydrophobicContact CG1-CD1 4Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.29Å; V116-E377 HydrophobicContact CG1-CB 4.21Å; V116-E377 WeakPolarHBondContact CG1-O 3.5Å; V116-E377 HydrophobicContact CG2-CB 4.46Å; V116-F378 HydrophobicContact CB-CE1 4.36Å; V116-F378 HydrophobicContact CG1-CD1 4.41Å; V116-F378 HydrophobicContact CG1-CE1 3.95Å; V116-F378 HydrophobicContact CG1-CZ 4.4Å; V116-F378 HydrophobicContact CG2-CE1 4.28Å; V116-F378 HydrophobicContact CG2-CZ 3.98Å
117	E	94.1	Very high	96.4	Very high	126 Å²	126	54.3 Å²	54.3	59%	0.589	25%	0.253	S	S	*	.	H	α-helix	trans	-61	-45.9	-179.7	-172	-171.4	153.5	0	0	111.4	T119 L120 N121 K220	E117-T119 VanDerWaalsContact C-N 3.34Å; E117-T119 PolarHBondContact O-N 3.14Å; E117-L120 PolarHBondContact O-N 2.91Å; E117-N121 WeakPolarHBondContact O-CB 3.5Å; E117-N121 PolarHBondContact O-N 2.75Å; E117-K220 IonicContact OE1-NZ 2.92Å; E117-K220 PolarHBondContact OE1-NZ 2.93Å
118	H	93	Very high	96.4	Very high	39 Å²	39	54.3 Å²	54.3	18%	0.181	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-40.6	178.5	-68.7	162	0	0	0	112.2	Q115 V116 N121 E122	Q115-H118 PolarHBondContact O-N 3.39Å; Q115-H118 PolarHBondContact OE1-ND1 2.74Å; V116-H118 PolarHBondContact O-N 3.09Å; H118-N121 PolarHBondContact O-N 3.3Å; H118-E122 VanDerWaalsContact O-CB 3.29Å; H118-E122 WeakPolarHBondContact O-CB 3.42Å; H118-E122 PolarHBondContact O-N 2.79Å
119	T	96.1	Very high	96.4	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-45.5	179.3	-57.3	0	0	0	0	111.8	L105 V110 Q115 V116 E117 N121 E122 K123 L147 F381	L105-T119 HydrophobicContact CD1-CG2 3.62Å; V110-T119 VanDerWaalsContact CG1-OG1 3.3Å; V110-T119 WeakPolarHBondContact CG1-OG1 3.49Å; Q115-T119 WeakPolarHBondContact O-CB 3.24Å; Q115-T119 PolarHBondContact O-N 2.92Å; Q115-T119 PolarHBondContact O-OG1 3.12Å; V116-T119 PolarHBondContact O-N 3.26Å; E117-T119 VanDerWaalsContact C-N 3.34Å; E117-T119 PolarHBondContact O-N 3.14Å; T119-N121 VanDerWaalsContact C-N 3.33Å; T119-E122 PolarHBondContact O-N 2.66Å; T119-K123 PolarHBondContact O-N 3.38Å; T119-K123 VanDerWaalsContact O-N 3.09Å; T119-L147 HydrophobicContact CG2-CD1 3.69Å; T119-F381 HydrophobicContact CG2-CD2 4.49Å; T119-F381 HydrophobicContact CG2-CE2 4.15Å
120	L	96.7	Very high	96.4	Very high	38 Å²	38	48.6 Å²	48.6	20%	0.199	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-42.2	176.5	-70.7	173.2	0	0	0	111.1	V116 E117 R124 F378 F381	V116-L120 HydrophobicContact CG1-CD1 4Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.29Å; E117-L120 PolarHBondContact O-N 2.91Å; L120-R124 VanDerWaalsContact O-CB 3.24Å; L120-R124 WeakPolarHBondContact O-CB 3.4Å; L120-R124 PolarHBondContact O-N 3.49Å; L120-F378 HydrophobicContact CD2-CD1 4.27Å; L120-F378 HydrophobicContact CG-CD1 4.49Å; L120-F381 HydrophobicContact CD2-CB 3.88Å; L120-F381 HydrophobicContact CD2-CD2 4.22Å
121	N	95.3	Very high	96.4	Very high	29 Å²	29	49 Å²	49	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-39.6	179	175.9	85.9	0	0	0	112.1	E117 H118 T119 R124 I125 A219	E117-N121 WeakPolarHBondContact O-CB 3.5Å; E117-N121 PolarHBondContact O-N 2.75Å; H118-N121 PolarHBondContact O-N 3.3Å; T119-N121 VanDerWaalsContact C-N 3.33Å; N121-R124 PolarHBondContact O-N 3.15Å; N121-I125 VanDerWaalsContact ND2-CD1 3.35Å; N121-I125 WeakPolarHBondContact ND2-CD1 3.45Å; N121-I125 WeakPolarHBondContact O-CB 3.41Å; N121-I125 VanDerWaalsContact O-CG1 3.26Å; N121-I125 WeakPolarHBondContact O-CG1 3.49Å; N121-I125 PolarHBondContact O-N 3.27Å; N121-A219 PolarHBondContact ND2-O 2.81Å
122	E	96.9	Very high	96.4	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-55.6	-54.7	172.3	177	173.3	-149.8	0	0	110.4	K103 H118 T119 R124 I125 L126 M149 F216 G217	K103-E122 IonicContact NZ-OE1 3.8Å; K103-E122 PolarHBondContact NZ-OE1 3.37Å; K103-E122 IonicContact NZ-OE2 2.67Å; K103-E122 PolarHBondContact NZ-OE2 2.99Å; H118-E122 VanDerWaalsContact O-CB 3.29Å; H118-E122 WeakPolarHBondContact O-CB 3.42Å; H118-E122 PolarHBondContact O-N 2.79Å; T119-E122 PolarHBondContact O-N 2.66Å; E122-R124 VanDerWaalsContact C-N 3.29Å; E122-R124 PolarHBondContact O-N 3.44Å; E122-I125 PolarHBondContact O-N 3.45Å; E122-L126 HydrophobicContact CG-CD1 3.77Å; E122-L126 HydrophobicContact CG-CG 4.41Å; E122-L126 WeakPolarHBondContact O-CB 3.34Å; E122-L126 WeakPolarHBondContact O-CG 3.15Å; E122-L126 PolarHBondContact O-N 3.49Å; E122-M149 HydrophobicContact CG-CE 4.5Å; E122-M149 HydrophobicContact CG-SD 4.34Å; E122-F216 HydrophobicContact CG-CB 4.03Å; E122-F216 PolarHBondContact OE1-N 3.1Å; E122-G217 PolarHBondContact OE1-N 3.48Å
123	K	97.6	Very high	96.5	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-43	178	-175.4	-92.9	173.7	165.2	0	111.7	A65 T119 I125 L126 Q127 M137 S140 M149 F381	A65-K123 PolarHBondContact O-NZ 3.25Å; T119-K123 PolarHBondContact O-N 3.38Å; T119-K123 VanDerWaalsContact O-N 3.09Å; K123-I125 VanDerWaalsContact C-N 3.34Å; K123-I125 PolarHBondContact O-N 2.92Å; K123-L126 PolarHBondContact O-N 3.21Å; K123-Q127 WeakPolarHBondContact O-CG 3.33Å; K123-Q127 PolarHBondContact O-N 3.34Å; K123-Q127 VanDerWaalsContact O-N 3.1Å; K123-M137 HydrophobicContact CG-CE 4.15Å; K123-M137 HydrophobicContact CG-SD 4.44Å; K123-S140 WeakPolarHBondContact CE-OG 3.37Å; K123-M149 HydrophobicContact CB-SD 3.95Å; K123-M149 HydrophobicContact CG-CG 4.45Å; K123-M149 HydrophobicContact CG-SD 4.39Å; K123-F381 HydrophobicContact CB-CD2 4.31Å; K123-F381 HydrophobicContact CB-CE2 3.84Å; K123-F381 HydrophobicContact CB-CZ 4.32Å; K123-F381 WeakPolarHBondContact CD-OXT 3.38Å; K123-F381 WeakPolarHBondContact CE-OXT 2.99Å; K123-F381 HydrophobicContact CG-CD2 4.33Å; K123-F381 HydrophobicContact CG-CE1 4.43Å; K123-F381 HydrophobicContact CG-CE2 3.9Å; K123-F381 HydrophobicContact CG-CZ 3.95Å; K123-F381 PolarHBondContact NZ-OXT 3.06Å
124	R	97.3	Very high	96.7	Very high	85 Å²	85	36 Å²	36	32%	0.321	17%	0.172	S	C	.	.	H	α-helix	trans	-66.3	-35.1	-178.5	-167	178.6	-176.4	158.9	4.6	112.8	W61 L120 N121 E122 Q127 A128	W61-R124 HydrophobicContact CD2-CG 4.27Å; W61-R124 HydrophobicContact CE3-CG 3.86Å; W61-R124 HydrophobicContact CH2-CB 4.33Å; W61-R124 HydrophobicContact CH2-CG 3.87Å; W61-R124 HydrophobicContact CZ2-CG 4.26Å; W61-R124 HydrophobicContact CZ3-CB 4.13Å; W61-R124 HydrophobicContact CZ3-CG 3.66Å; W61-R124 PolarHBondContact O-NE 2.88Å; W61-R124 PolarHBondContact O-NH2 3.07Å; L120-R124 VanDerWaalsContact O-CB 3.24Å; L120-R124 WeakPolarHBondContact O-CB 3.4Å; L120-R124 PolarHBondContact O-N 3.49Å; N121-R124 PolarHBondContact O-N 3.15Å; E122-R124 VanDerWaalsContact C-N 3.29Å; E122-R124 PolarHBondContact O-N 3.44Å; R124-Q127 VanDerWaalsContact O-CG 3.31Å; R124-Q127 WeakPolarHBondContact O-CG 3.23Å; R124-A128 WeakPolarHBondContact O-CB 3.35Å
125	I	97.9	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-70.6	-52.3	173.4	-69	169.2	0	0	0	109.8	W61 N121 E122 K123 Q127 A128 I129 L193 F216 A219	W61-I125 HydrophobicContact CH2-CG1 4.13Å; W61-I125 HydrophobicContact CZ3-CB 4.46Å; W61-I125 HydrophobicContact CZ3-CG1 3.68Å; N121-I125 VanDerWaalsContact ND2-CD1 3.35Å; N121-I125 WeakPolarHBondContact ND2-CD1 3.45Å; N121-I125 WeakPolarHBondContact O-CB 3.41Å; N121-I125 VanDerWaalsContact O-CG1 3.26Å; N121-I125 WeakPolarHBondContact O-CG1 3.49Å; N121-I125 PolarHBondContact O-N 3.27Å; E122-I125 PolarHBondContact O-N 3.45Å; K123-I125 VanDerWaalsContact C-N 3.34Å; K123-I125 PolarHBondContact O-N 2.92Å; I125-Q127 VanDerWaalsContact C-N 3.3Å; I125-Q127 PolarHBondContact O-N 3.27Å; I125-A128 PolarHBondContact O-N 2.89Å; I125-I129 HydrophobicContact CG2-CD1 4.31Å; I125-I129 HydrophobicContact CG2-CG2 3.93Å; I125-I129 WeakPolarHBondContact O-CG1 3.15Å; I125-I129 PolarHBondContact O-N 3.4Å; I125-L193 HydrophobicContact CD1-CD2 3.86Å; I125-L193 HydrophobicContact CG1-CD2 3.84Å; I125-L193 HydrophobicContact CG2-CD1 4.04Å; I125-L193 HydrophobicContact CG2-CD2 4.42Å; I125-F216 HydrophobicContact CG2-CD1 3.74Å; I125-F216 HydrophobicContact CG2-CE1 4.27Å; I125-F216 HydrophobicContact CG2-CG 4.48Å; I125-A219 HydrophobicContact CD1-CB 3.6Å
126	L	97.9	Very high	96.9	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-35.9	-174.5	-78.7	173.4	0	0	0	113.9	E122 K123 A128 I129 V135 M137 M149 L151 F216	E122-L126 HydrophobicContact CG-CD1 3.77Å; E122-L126 HydrophobicContact CG-CG 4.41Å; E122-L126 WeakPolarHBondContact O-CB 3.34Å; E122-L126 WeakPolarHBondContact O-CG 3.15Å; E122-L126 PolarHBondContact O-N 3.49Å; K123-L126 PolarHBondContact O-N 3.21Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 2.85Å; L126-I129 HydrophobicContact CD2-CD1 4.29Å; L126-V135 HydrophobicContact CD2-CG1 4.03Å; L126-M137 HydrophobicContact CB-CB 3.98Å; L126-M137 HydrophobicContact CB-CE 4.23Å; L126-M137 HydrophobicContact CB-SD 4.03Å; L126-M149 HydrophobicContact CD1-SD 4.01Å; L126-L151 HydrophobicContact CD1-CD2 4.06Å; L126-L151 HydrophobicContact CD2-CD2 4.33Å; L126-F216 HydrophobicContact CD2-CB 4.35Å; L126-F216 HydrophobicContact CD2-CD2 3.56Å; L126-F216 HydrophobicContact CD2-CE2 4.01Å; L126-F216 HydrophobicContact CD2-CG 4.04Å; L126-F216 HydrophobicContact CG-CB 4.24Å; L126-F216 HydrophobicContact CG-CD2 4.36Å; L126-F216 HydrophobicContact CG-CG 4.43Å
127	Q	97.1	Very high	97	Very high	25 Å²	25	27.2 Å²	27.2	12%	0.117	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-19.5	175.8	68.3	-173	-0.6	0	0	113.6	A65 K123 R124 I125 M137	A65-Q127 PolarHBondContact O-OE1 3.33Å; K123-Q127 WeakPolarHBondContact O-CG 3.33Å; K123-Q127 PolarHBondContact O-N 3.34Å; K123-Q127 VanDerWaalsContact O-N 3.1Å; R124-Q127 VanDerWaalsContact O-CG 3.31Å; R124-Q127 WeakPolarHBondContact O-CG 3.23Å; I125-Q127 VanDerWaalsContact C-N 3.3Å; I125-Q127 PolarHBondContact O-N 3.27Å; Q127-M137 HydrophobicContact CB-CE 3.46Å; Q127-M137 VanDerWaalsContact CB-CE 3.46Å
128	A	97.6	Very high	97.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-25.8	-170.4	0	0	0	0	0	113	F57 R60 W61 R124 I125 L126	F57-A128 HydrophobicContact CD2-CB 3.63Å; F57-A128 WeakPolarHBondContact CD2-O 3.43Å; F57-A128 HydrophobicContact CE2-CB 3.54Å; F57-A128 HydrophobicContact CZ-CB 4.41Å; R60-A128 HydrophobicContact CB-CB 3.98Å; W61-A128 HydrophobicContact CB-CB 4.3Å; W61-A128 HydrophobicContact CE3-CB 4.16Å; R124-A128 WeakPolarHBondContact O-CB 3.35Å; I125-A128 PolarHBondContact O-N 2.89Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 2.85Å
129	I	98	Very high	97.4	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	12%	0.123	C	C	.	.			trans	-80.8	154.2	176.4	63.1	173.7	0	0	0	111.9	F57 I125 L126 L134 Y187 L188 L191 L193 F216	F57-I129 HydrophobicContact CD2-CG2 4.21Å; F57-I129 HydrophobicContact CE2-CG2 4.05Å; I125-I129 HydrophobicContact CG2-CD1 4.31Å; I125-I129 HydrophobicContact CG2-CG2 3.93Å; I125-I129 WeakPolarHBondContact O-CG1 3.15Å; I125-I129 PolarHBondContact O-N 3.4Å; L126-I129 HydrophobicContact CD2-CD1 4.29Å; I129-L134 HydrophobicContact CB-CD1 4.44Å; I129-L134 HydrophobicContact CD1-CB 4.26Å; I129-L134 HydrophobicContact CD1-CD1 3.9Å; I129-Y187 WeakPolarHBondContact CA-OH 3.38Å; I129-Y187 HydrophobicContact CB-CE1 4.12Å; I129-Y187 HydrophobicContact CG2-CE1 4.23Å; I129-L188 HydrophobicContact CG2-CD2 4.16Å; I129-L191 HydrophobicContact CG2-CD1 4.38Å; I129-L193 HydrophobicContact CG2-CD1 3.69Å; I129-F216 HydrophobicContact CD1-CD1 4.31Å; I129-F216 HydrophobicContact CD1-CE1 3.66Å; I129-F216 HydrophobicContact CD1-CE2 4.08Å; I129-F216 HydrophobicContact CD1-CZ 3.51Å
130	D	96.5	Very high	97.5	Very high	79 Å²	79	24 Å²	24	42%	0.422	12%	0.122	S	C	.	.			trans	-159.9	100.6	-179.9	-166.4	-7.8	0	0	0	108.8	R60 Y187	R60-D130 IonicContact CZ-OD2 3.55Å; R60-D130 IonicContact NH1-OD2 2.8Å; R60-D130 PolarHBondContact NH1-OD2 3.07Å; R60-D130 IonicContact NH2-OD2 3.57Å; R60-D130 PolarHBondContact NH2-OD2 3.42Å; D130-Y187 PolarHBondContact N-OH 3.2Å; D130-Y187 WeakPolarHBondContact O-CE2 3.26Å; D130-Y187 PolarHBondContact O-OH 3.19Å
131	F	97.5	Very high	97.6	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.035	11%	0.114	C	C	.	.			trans	-154.4	143.5	-177.4	-164.3	-107	0	0	0	111.4	F49 F133 L134 L183 A184 Y187 Y337	F49-F131 HydrophobicContact CE1-CD2 4.21Å; F49-F131 AromaticContact CE1-CE2 3.77Å; F49-F131 HydrophobicContact CE1-CE2 3.77Å; F49-F131 HydrophobicContact CZ-CD2 4.06Å; F49-F131 AromaticContact CZ-CE2 3.94Å; F49-F131 HydrophobicContact CZ-CE2 3.94Å; F131-F133 HydrophobicContact CD1-CB 4.41Å; F131-F133 HydrophobicContact CD1-CD2 4.32Å; F131-F133 AromaticContact CE1-CD2 3.69Å; F131-F133 HydrophobicContact CE1-CD2 3.69Å; F131-F133 HydrophobicContact CE1-CE2 4.24Å; F131-F133 HydrophobicContact CE1-CG 4.43Å; F131-F133 PolarHBondContact O-N 3.04Å; F131-L134 HydrophobicContact CB-CB 4.35Å; F131-L134 HydrophobicContact CB-CD1 3.73Å; F131-L134 HydrophobicContact CB-CG 3.84Å; F131-L134 HydrophobicContact CD1-CG 4.24Å; F131-L134 PolarHBondContact O-N 3.12Å; F131-L183 HydrophobicContact CE1-CB 4.15Å; F131-L183 HydrophobicContact CZ-CB 4.03Å; F131-A184 HydrophobicContact CD1-CB 4.38Å; F131-A184 HydrophobicContact CE1-CB 4.3Å; F131-Y187 HydrophobicContact CB-CD1 3.83Å; F131-Y187 HydrophobicContact CB-CD2 4.22Å; F131-Y187 HydrophobicContact CB-CE1 3.86Å; F131-Y187 HydrophobicContact CB-CE2 4.19Å; F131-Y187 HydrophobicContact CB-CG 4.03Å; F131-Y187 HydrophobicContact CD1-CG 4.4Å; F131-Y187 HydrophobicContact CD2-CD1 4.2Å; F131-Y187 AromaticContact CD2-CD2 3.37Å; F131-Y187 HydrophobicContact CD2-CD2 3.37Å; F131-Y187 AromaticContact CD2-CE2 3.94Å; F131-Y187 HydrophobicContact CD2-CE2 3.94Å; F131-Y187 AromaticContact CD2-CG 3.51Å; F131-Y187 HydrophobicContact CD2-CG 3.51Å; F131-Y187 AromaticContact CE2-CD2 3.96Å; F131-Y187 HydrophobicContact CE2-CD2 3.96Å; F131-Y187 HydrophobicContact CE2-CG 4.04Å; F131-Y187 AromaticContact CG-CD1 3.97Å; F131-Y187 HydrophobicContact CG-CD1 3.97Å; F131-Y187 AromaticContact CG-CD2 3.99Å; F131-Y187 HydrophobicContact CG-CD2 3.99Å; F131-Y187 HydrophobicContact CG-CE1 4.46Å; F131-Y187 HydrophobicContact CG-CE2 4.42Å; F131-Y187 AromaticContact CG-CG 3.72Å; F131-Y187 HydrophobicContact CG-CG 3.72Å; F131-Y337 HydrophobicContact CD2-CE2 4.27Å; F131-Y337 AromaticContact CE2-CD2 3.99Å; F131-Y337 HydrophobicContact CE2-CD2 3.99Å; F131-Y337 AromaticContact CE2-CE2 3.59Å; F131-Y337 HydrophobicContact CE2-CE2 3.59Å; F131-Y337 AromaticContact CZ-CD2 3.92Å; F131-Y337 HydrophobicContact CZ-CD2 3.92Å; F131-Y337 HydrophobicContact CZ-CE2 4Å
132	P	96.9	Very high	97.7	Very high	35 Å²	35	23.5 Å²	23.5	23%	0.227	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.5	-170.3	-29.2	36.3	0	0	0	115.6	K212 Y337	P132-K212 WeakPolarHBondContact O-CE 3.33Å; P132-K212 PolarHBondContact O-NZ 2.85Å; P132-K212 VanDerWaalsContact O-NZ 3.14Å; P132-Y337 HydrophobicContact CG-CD2 4.03Å; P132-Y337 HydrophobicContact CG-CE2 3.55Å
133	F	98.5	Very high	97.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	9.8	-177.3	-45.8	-45.7	0	0	0	113.8	F131 Q180 L183 Y210 L211 K212 I213 I336 K339	F131-F133 HydrophobicContact CD1-CB 4.41Å; F131-F133 HydrophobicContact CD1-CD2 4.32Å; F131-F133 AromaticContact CE1-CD2 3.69Å; F131-F133 HydrophobicContact CE1-CD2 3.69Å; F131-F133 HydrophobicContact CE1-CE2 4.24Å; F131-F133 HydrophobicContact CE1-CG 4.43Å; F131-F133 PolarHBondContact O-N 3.04Å; F133-Q180 HydrophobicContact CD1-CB 4.32Å; F133-Q180 HydrophobicContact CD1-CG 4.17Å; F133-Q180 HydrophobicContact CD2-CB 3.78Å; F133-Q180 HydrophobicContact CD2-CG 4.16Å; F133-Q180 WeakPolarHBondContact CD2-O 3.29Å; F133-Q180 HydrophobicContact CE1-CG 4Å; F133-Q180 HydrophobicContact CE2-CB 4.05Å; F133-Q180 HydrophobicContact CE2-CG 3.98Å; F133-Q180 HydrophobicContact CG-CB 3.95Å; F133-Q180 HydrophobicContact CG-CG 4.27Å; F133-Q180 HydrophobicContact CZ-CB 4.43Å; F133-Q180 HydrophobicContact CZ-CG 3.91Å; F133-L183 HydrophobicContact CD2-CB 4.31Å; F133-L183 HydrophobicContact CE2-CB 4.09Å; F133-L183 HydrophobicContact CE2-CD1 3.82Å; F133-Y210 HydrophobicContact CD1-CD1 4.34Å; F133-Y210 AromaticContact CE1-CD1 3.62Å; F133-Y210 HydrophobicContact CE1-CD1 3.62Å; F133-Y210 HydrophobicContact CE1-CE1 4.15Å; F133-Y210 HydrophobicContact CZ-CD1 4.39Å; F133-L211 WeakPolarHBondContact CA-O 3.3Å; F133-K212 CarbonylContact O-C 3.59Å; F133-K212 WeakPolarHBondContact O-CA 3.35Å; F133-I213 PolarHBondContact O-N 3Å; F133-I336 HydrophobicContact CE2-CG2 4.14Å; F133-I336 HydrophobicContact CZ-CG2 3.88Å; F133-I336 WeakPolarHBondContact CZ-O 3.34Å; F133-K339 HydrophobicContact CE1-CG 4.22Å
134	L	98.6	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-108.6	147.6	173	-54	-178.4	0	0	0	108.7	I129 F131 A184 Y187 L188 K212 I213 F216	I129-L134 HydrophobicContact CB-CD1 4.44Å; I129-L134 HydrophobicContact CD1-CB 4.26Å; I129-L134 HydrophobicContact CD1-CD1 3.9Å; F131-L134 HydrophobicContact CB-CB 4.35Å; F131-L134 HydrophobicContact CB-CD1 3.73Å; F131-L134 HydrophobicContact CB-CG 3.84Å; F131-L134 HydrophobicContact CD1-CG 4.24Å; F131-L134 PolarHBondContact O-N 3.12Å; L134-A184 HydrophobicContact CD2-CB 3.9Å; L134-Y187 HydrophobicContact CD1-CD1 3.73Å; L134-Y187 HydrophobicContact CD1-CE1 3.73Å; L134-L188 HydrophobicContact CD1-CD1 4.5Å; L134-L188 HydrophobicContact CD1-CD2 3.79Å; L134-L188 HydrophobicContact CD1-CG 4.09Å; L134-L188 HydrophobicContact CD2-CD1 4.39Å; L134-K212 VanDerWaalsContact O-CD 3.29Å; L134-K212 WeakPolarHBondContact O-CD 3.17Å; L134-K212 PolarHBondContact O-NZ 3.45Å; L134-I213 HydrophobicContact CD2-CB 3.76Å; L134-I213 HydrophobicContact CD2-CD1 3.75Å; L134-I213 HydrophobicContact CD2-CG1 3.97Å; L134-I213 HydrophobicContact CD2-CG2 4.49Å; L134-F216 HydrophobicContact CB-CZ 4.45Å; L134-F216 HydrophobicContact CD1-CZ 4.38Å; L134-F216 HydrophobicContact CD2-CZ 4.07Å
135	V	98	Very high	97.8	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.018	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-68.8	131.5	173.9	73.4	0	0	0	0	110	L126 L151 E152 I213 F216	L126-V135 HydrophobicContact CD2-CG1 4.03Å; V135-L151 HydrophobicContact CB-CD2 4.48Å; V135-L151 HydrophobicContact CG1-CD2 3.64Å; V135-L151 HydrophobicContact CG2-CB 3.95Å; V135-L151 HydrophobicContact CG2-CD2 4Å; V135-E152 WeakPolarHBondContact CA-OE1 3.42Å; V135-E152 HydrophobicContact CG2-CG 3.62Å; V135-I213 WeakPolarHBondContact CB-O 3.36Å; V135-I213 WeakPolarHBondContact CG1-O 3.49Å; V135-I213 PolarHBondContact N-O 3.49Å; V135-F216 HydrophobicContact CG1-CE2 4.38Å
136	N	97	Very high	97.8	Very high	51 Å²	51	24 Å²	24	27%	0.273	13%	0.128	S	C	.	.	P	Polyproline II helix	trans	-90.1	129.6	178.3	-70.8	-20.9	0	0	0	110.6	L151 E152	N136-L151 CarbonylContact O-C 3.44Å; N136-L151 WeakPolarHBondContact O-CA 3.24Å; N136-E152 HydrophobicContact CB-CG 4.36Å; N136-E152 PolarHBondContact N-OE1 3.17Å; N136-E152 PolarHBondContact O-N 3.47Å
137	M	97.9	Very high	97.8	Very high	26 Å²	26	23.8 Å²	23.8	13%	0.128	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.9	168	-172.8	176.1	74	0	0	109.5	K123 L126 Q127 M149	K123-M137 HydrophobicContact CG-CE 4.15Å; K123-M137 HydrophobicContact CG-SD 4.44Å; L126-M137 HydrophobicContact CB-CB 3.98Å; L126-M137 HydrophobicContact CB-CE 4.23Å; L126-M137 HydrophobicContact CB-SD 4.03Å; Q127-M137 HydrophobicContact CB-CE 3.46Å; Q127-M137 VanDerWaalsContact CB-CE 3.46Å; M137-M149 HydrophobicContact SD-CB 3.86Å; M137-M149 HydrophobicContact SD-CG 3.81Å; M137-M149 HydrophobicContact SD-SD 4.29Å
138	T	97.4	Very high	97.9	Very high	64 Å²	64	22.6 Å²	22.6	39%	0.393	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-41.9	-178.3	-51.8	0	0	0	0	111.6	Y100 V150	Y100-T138 HydrophobicContact CE1-CG2 4.1Å; Y100-T138 WeakPolarHBondContact CE1-OG1 3.28Å; T138-V150 PolarHBondContact N-O 3.18Å
139	F	98.2	Very high	97.9	Very high	36 Å²	36	22.6 Å²	22.6	16%	0.158	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.9	179.6	-45.8	-85.1	0	0	0	111.6	T68 A69 F74 Y100 V150	T68-F139 WeakPolarHBondContact OG1-CA 3.13Å; A69-F139 HydrophobicContact CB-CB 3.92Å; A69-F139 HydrophobicContact CB-CD1 3.87Å; A69-F139 HydrophobicContact CB-CG 4.01Å; F74-F139 HydrophobicContact CE1-CD2 4.21Å; F74-F139 HydrophobicContact CE1-CE2 4.31Å; F74-F139 AromaticContact CZ-CD2 3.76Å; F74-F139 HydrophobicContact CZ-CD2 3.76Å; F74-F139 HydrophobicContact CZ-CE2 4.12Å; F74-F139 HydrophobicContact CZ-CG 4.23Å; Y100-F139 HydrophobicContact CE1-CE2 4.39Å; Y100-F139 HydrophobicContact CE2-CE2 4.08Å; Y100-F139 AromaticContact CZ-CE2 3.92Å; F139-V150 HydrophobicContact CB-CB 3.87Å; F139-V150 HydrophobicContact CB-CG2 4Å; F139-V150 HydrophobicContact CD2-CB 4.01Å; F139-V150 HydrophobicContact CD2-CG1 3.88Å; F139-V150 HydrophobicContact CG-CB 4.46Å; F139-V150 PolarHBondContact N-O 3.05Å; F139-V150 PolarHBondContact O-N 2.77Å
140	S	98.3	Very high	97.9	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	136.7	168.9	62.4	0	0	0	0	110.5	N67 T68 K123 Y148	N67-S140 WeakPolarHBondContact CA-O 3.35Å; N67-S140 PolarHBondContact N-O 3.5Å; T68-S140 PolarHBondContact N-O 3.12Å; T68-S140 PolarHBondContact OG1-N 3.35Å; T68-S140 PolarHBondContact OG1-O 3.17Å; K123-S140 WeakPolarHBondContact CE-OG 3.37Å; S140-Y148 VanDerWaalsContact CA-O 3.25Å; S140-Y148 WeakPolarHBondContact CA-O 3.41Å
141	F	98.5	Very high	98	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.022	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	173.4	-178.5	57.7	-89.1	0	0	0	111	N67 A69 L71 F74 M102 Y148 V150 F381	N67-F141 WeakPolarHBondContact OD1-CA 3.27Å; N67-F141 VanDerWaalsContact OD1-CB 3.22Å; N67-F141 WeakPolarHBondContact OD1-CB 3.35Å; A69-F141 HydrophobicContact CB-CD1 3.88Å; A69-F141 HydrophobicContact CB-CE1 4.09Å; A69-F141 WeakPolarHBondContact O-CB 3.28Å; A69-F141 VanDerWaalsContact O-CG 3.27Å; A69-F141 WeakPolarHBondContact O-CG 3.19Å; L71-F141 HydrophobicContact CB-CE2 3.95Å; L71-F141 HydrophobicContact CB-CZ 4.4Å; L71-F141 VanDerWaalsContact N-CE2 3.27Å; F74-F141 HydrophobicContact CD2-CE1 4.46Å; F74-F141 HydrophobicContact CD2-CZ 4.4Å; F74-F141 AromaticContact CE2-CE1 3.86Å; F74-F141 HydrophobicContact CE2-CE1 3.86Å; F74-F141 HydrophobicContact CE2-CZ 4.24Å; M102-F141 HydrophobicContact CE-CE1 4.38Å; M102-F141 HydrophobicContact CE-CZ 3.92Å; F141-Y148 AromaticContact CD2-CD2 3.36Å; F141-Y148 HydrophobicContact CD2-CD2 3.36Å; F141-Y148 HydrophobicContact CD2-CE2 4.1Å; F141-Y148 AromaticContact CD2-CG 3.73Å; F141-Y148 HydrophobicContact CD2-CG 3.73Å; F141-Y148 HydrophobicContact CE1-CG 4.41Å; F141-Y148 AromaticContact CE2-CD1 3.88Å; F141-Y148 HydrophobicContact CE2-CD1 3.88Å; F141-Y148 AromaticContact CE2-CD2 3.22Å; F141-Y148 HydrophobicContact CE2-CD2 3.22Å; F141-Y148 HydrophobicContact CE2-CE1 4.39Å; F141-Y148 AromaticContact CE2-CE2 3.8Å; F141-Y148 HydrophobicContact CE2-CE2 3.8Å; F141-Y148 AromaticContact CE2-CG 3.26Å; F141-Y148 HydrophobicContact CE2-CG 3.26Å; F141-Y148 HydrophobicContact CG-CD2 4.31Å; F141-Y148 HydrophobicContact CG-CG 4.46Å; F141-Y148 HydrophobicContact CZ-CD1 4.06Å; F141-Y148 HydrophobicContact CZ-CD2 4.1Å; F141-Y148 AromaticContact CZ-CG 3.65Å; F141-Y148 HydrophobicContact CZ-CG 3.65Å; F141-Y148 PolarHBondContact N-O 3.5Å; F141-Y148 VanDerWaalsContact N-O 3.09Å; F141-Y148 WeakPolarHBondContact O-CB 3.31Å; F141-Y148 PolarHBondContact O-N 3.25Å; F141-V150 HydrophobicContact CE1-CG2 3.79Å; F141-F381 WeakPolarHBondContact O-CE1 3.41Å
142	K	98.1	Very high	98	Very high	53 Å²	53	20.8 Å²	20.8	23%	0.23	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.6	177.3	66	-162.6	174	-148.9	0	110.8	N67 N146 L147 F378 A379 F381	N67-K142 PolarHBondContact OD1-N 3.3Å; K142-N146 WeakPolarHBondContact CA-O 3.49Å; K142-L147 HydrophobicContact CB-CD2 3.83Å; K142-L147 HydrophobicContact CD-CD2 4.45Å; K142-F378 PolarHBondContact NZ-O 2.86Å; K142-A379 PolarHBondContact NZ-O 2.83Å; K142-F381 HydrophobicContact CB-CD1 4.35Å; K142-F381 HydrophobicContact CD-CB 4.23Å; K142-F381 HydrophobicContact CD-CD1 4.48Å; K142-F381 PolarHBondContact NZ-O 3.49Å
143	D	97.6	Very high	98	Very high	31 Å²	31	20.3 Å²	20.3	17%	0.166	11%	0.105	C	C	.	.			trans	-121.5	-164.9	168.9	68.5	27	0	0	0	110.3	K107 S145 N146 Y148 I368	K107-D143 WeakPolarHBondContact CE-O 3.48Å; K107-D143 PolarHBondContact NZ-O 2.94Å; D143-S145 PolarHBondContact O-N 3.44Å; D143-S145 WeakPolarHBondContact OD1-CA 3.43Å; D143-S145 PolarHBondContact OD1-N 3.31Å; D143-N146 PolarHBondContact N-O 2.97Å; D143-N146 PolarHBondContact OD1-N 3.5Å; D143-Y148 HydrophobicContact CB-CE2 4.19Å; D143-Y148 VanDerWaalsContact OD2-CE2 3.24Å; D143-Y148 WeakPolarHBondContact OD2-CE2 3.25Å; D143-Y148 VanDerWaalsContact OD2-CZ 3.26Å; D143-Y148 PolarHBondContact OD2-OH 2.98Å; D143-I368 HydrophobicContact CB-CG2 4.27Å; D143-I368 VanDerWaalsContact OD2-CD1 3.25Å; D143-I368 WeakPolarHBondContact OD2-CD1 3.17Å; D143-I368 WeakPolarHBondContact OD2-CG1 3.1Å
144	N	98	Very high	98	Very high	52 Å²	52	20.8 Å²	20.8	28%	0.278	11%	0.107	S	C	.	.	S	Bend	trans	-60.7	-26.7	179.9	-76.7	-13.8	0	0	0	114.5	I368 S369 K373	N144-I368 HydrophobicContact CB-CG2 4.1Å; N144-S369 WeakPolarHBondContact CB-O 3.44Å; N144-S369 PolarHBondContact ND2-O 3.01Å; N144-K373 VanDerWaalsContact O-CB 3.29Å; N144-K373 WeakPolarHBondContact O-CB 3.33Å; N144-K373 WeakPolarHBondContact O-CG 3.47Å; N144-K373 PolarHBondContact O-N 2.85Å
145	S	97.8	Very high	97.9	Very high	15 Å²	15	21.3 Å²	21.3	11%	0.105	11%	0.111	C	C	.	.	S	Bend	trans	-117	-33	-171.8	-78	0	0	0	0	113.8	K107 D143 S369	K107-S145 WeakPolarHBondContact CB-O 3.46Å; K107-S145 WeakPolarHBondContact CG-O 3.28Å; K107-S145 PolarHBondContact N-O 3.13Å; D143-S145 PolarHBondContact O-N 3.44Å; D143-S145 WeakPolarHBondContact OD1-CA 3.43Å; D143-S145 PolarHBondContact OD1-N 3.31Å; S145-S369 VanDerWaalsContact OG-CB 3.27Å; S145-S369 WeakPolarHBondContact OG-CB 3.16Å; S145-S369 PolarHBondContact OG-N 2.71Å
146	N	98.1	Very high	97.8	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.043	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.8	-163.2	-54.9	-63.9	0	0	0	112.5	I104 L105 K107 K142 D143 Y148	I104-N146 HydrophobicContact CG2-CB 4.05Å; L105-N146 CarbonylContact O-C 3.48Å; L105-N146 WeakPolarHBondContact O-CA 3.25Å; K107-N146 WeakPolarHBondContact CE-O 3.35Å; K142-N146 WeakPolarHBondContact CA-O 3.49Å; D143-N146 PolarHBondContact N-O 2.97Å; D143-N146 PolarHBondContact OD1-N 3.5Å; N146-Y148 HydrophobicContact CB-CD2 4.43Å; N146-Y148 HydrophobicContact CB-CE1 4.2Å; N146-Y148 HydrophobicContact CB-CE2 3.66Å; N146-Y148 WeakPolarHBondContact CB-OH 3.49Å; N146-Y148 PolarHBondContact ND2-OH 3.33Å
147	L	98.3	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.4	166.7	-50.3	171.5	0	0	0	108.3	L105 K107 T119 K142 F378 F381	L105-L147 HydrophobicContact CB-CB 4.25Å; L105-L147 PolarHBondContact N-O 3.23Å; L105-L147 PolarHBondContact O-N 3.07Å; K107-L147 HydrophobicContact CD-CD2 4.2Å; K107-L147 HydrophobicContact CG-CD1 4.47Å; K107-L147 HydrophobicContact CG-CD2 3.87Å; K107-L147 HydrophobicContact CG-CG 3.81Å; T119-L147 HydrophobicContact CG2-CD1 3.69Å; K142-L147 HydrophobicContact CB-CD2 3.83Å; K142-L147 HydrophobicContact CD-CD2 4.45Å; L147-F378 HydrophobicContact CD1-CD1 3.54Å; L147-F378 HydrophobicContact CD1-CD2 4.4Å; L147-F378 HydrophobicContact CD1-CE1 3.58Å; L147-F378 HydrophobicContact CD1-CE2 4.43Å; L147-F378 HydrophobicContact CD1-CG 3.97Å; L147-F378 HydrophobicContact CD1-CZ 4.04Å; L147-F378 HydrophobicContact CD2-CB 3.94Å; L147-F378 HydrophobicContact CD2-CD1 4.27Å; L147-F378 HydrophobicContact CD2-CD2 4.43Å; L147-F378 HydrophobicContact CD2-CG 3.96Å; L147-F378 HydrophobicContact CG-CD1 4.5Å; L147-F381 HydrophobicContact CB-CD1 4.36Å; L147-F381 HydrophobicContact CB-CD2 4.25Å; L147-F381 HydrophobicContact CB-CE1 3.92Å; L147-F381 HydrophobicContact CB-CE2 3.79Å; L147-F381 HydrophobicContact CB-CZ 3.61Å; L147-F381 HydrophobicContact CD1-CD2 3.79Å; L147-F381 HydrophobicContact CD1-CE2 3.87Å; L147-F381 HydrophobicContact CD1-CG 4.4Å; L147-F381 HydrophobicContact CD2-CB 4.15Å; L147-F381 HydrophobicContact CD2-CD1 3.89Å; L147-F381 HydrophobicContact CD2-CD2 3.98Å; L147-F381 HydrophobicContact CD2-CE1 4.3Å; L147-F381 HydrophobicContact CD2-CE2 4.38Å; L147-F381 HydrophobicContact CD2-CG 3.72Å; L147-F381 HydrophobicContact CG-CD2 4.22Å; L147-F381 HydrophobicContact CG-CE2 4.22Å; L147-F381 HydrophobicContact CG-CG 4.43Å; L147-F381 HydrophobicContact CG-CZ 4.44Å
148	Y	98.5	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.6	-176	-57.3	-89.8	0	0	0	109.9	L71 M102 K103 I104 S140 F141 D143 N146 L366	L71-Y148 HydrophobicContact CD1-CD1 4.27Å; L71-Y148 HydrophobicContact CD1-CE1 3.74Å; M102-Y148 HydrophobicContact CG-CD1 4.18Å; M102-Y148 HydrophobicContact SD-CD1 3.73Å; M102-Y148 HydrophobicContact SD-CE1 4.27Å; K103-Y148 WeakPolarHBondContact O-CA 3.4Å; I104-Y148 HydrophobicContact CB-CD1 4.43Å; I104-Y148 HydrophobicContact CB-CE1 4.4Å; I104-Y148 HydrophobicContact CD1-CE1 4.4Å; I104-Y148 HydrophobicContact CG1-CD1 3.96Å; I104-Y148 HydrophobicContact CG1-CE1 4.04Å; I104-Y148 HydrophobicContact CG2-CD1 4.13Å; I104-Y148 HydrophobicContact CG2-CE1 3.7Å; S140-Y148 VanDerWaalsContact CA-O 3.25Å; S140-Y148 WeakPolarHBondContact CA-O 3.41Å; F141-Y148 AromaticContact CD2-CD2 3.36Å; F141-Y148 HydrophobicContact CD2-CD2 3.36Å; F141-Y148 HydrophobicContact CD2-CE2 4.1Å; F141-Y148 AromaticContact CD2-CG 3.73Å; F141-Y148 HydrophobicContact CD2-CG 3.73Å; F141-Y148 HydrophobicContact CE1-CG 4.41Å; F141-Y148 AromaticContact CE2-CD1 3.88Å; F141-Y148 HydrophobicContact CE2-CD1 3.88Å; F141-Y148 AromaticContact CE2-CD2 3.22Å; F141-Y148 HydrophobicContact CE2-CD2 3.22Å; F141-Y148 HydrophobicContact CE2-CE1 4.39Å; F141-Y148 AromaticContact CE2-CE2 3.8Å; F141-Y148 HydrophobicContact CE2-CE2 3.8Å; F141-Y148 AromaticContact CE2-CG 3.26Å; F141-Y148 HydrophobicContact CE2-CG 3.26Å; F141-Y148 HydrophobicContact CG-CD2 4.31Å; F141-Y148 HydrophobicContact CG-CG 4.46Å; F141-Y148 HydrophobicContact CZ-CD1 4.06Å; F141-Y148 HydrophobicContact CZ-CD2 4.1Å; F141-Y148 AromaticContact CZ-CG 3.65Å; F141-Y148 HydrophobicContact CZ-CG 3.65Å; F141-Y148 PolarHBondContact N-O 3.5Å; F141-Y148 VanDerWaalsContact N-O 3.09Å; F141-Y148 WeakPolarHBondContact O-CB 3.31Å; F141-Y148 PolarHBondContact O-N 3.25Å; D143-Y148 HydrophobicContact CB-CE2 4.19Å; D143-Y148 VanDerWaalsContact OD2-CE2 3.24Å; D143-Y148 WeakPolarHBondContact OD2-CE2 3.25Å; D143-Y148 VanDerWaalsContact OD2-CZ 3.26Å; D143-Y148 PolarHBondContact OD2-OH 2.98Å; N146-Y148 HydrophobicContact CB-CD2 4.43Å; N146-Y148 HydrophobicContact CB-CE1 4.2Å; N146-Y148 HydrophobicContact CB-CE2 3.66Å; N146-Y148 WeakPolarHBondContact CB-OH 3.49Å; N146-Y148 PolarHBondContact ND2-OH 3.33Å; Y148-L366 HydrophobicContact CE1-CD2 4.01Å; Y148-L366 WeakPolarHBondContact OH-CD2 3.42Å
149	M	98.3	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.5	166.7	-65.1	178.8	-85.1	0	0	107.8	M102 K103 L105 E122 K123 L126 M137 L151 F381	M102-M149 CarbonylContact C-O 3.59Å; M102-M149 WeakPolarHBondContact CA-O 3.42Å; K103-M149 HydrophobicContact CB-CB 4.35Å; K103-M149 HydrophobicContact CD-CE 3.86Å; K103-M149 HydrophobicContact CG-CE 4.3Å; K103-M149 PolarHBondContact N-O 3.44Å; K103-M149 PolarHBondContact O-N 3.29Å; L105-M149 HydrophobicContact CD1-CE 3.53Å; E122-M149 HydrophobicContact CG-CE 4.5Å; E122-M149 HydrophobicContact CG-SD 4.34Å; K123-M149 HydrophobicContact CB-SD 3.95Å; K123-M149 HydrophobicContact CG-CG 4.45Å; K123-M149 HydrophobicContact CG-SD 4.39Å; L126-M149 HydrophobicContact CD1-SD 4.01Å; M137-M149 HydrophobicContact SD-CB 3.86Å; M137-M149 HydrophobicContact SD-CG 3.81Å; M137-M149 HydrophobicContact SD-SD 4.29Å; M149-L151 HydrophobicContact CB-CD1 4.21Å; M149-L151 WeakPolarHBondContact O-CD1 3.28Å; M149-F381 HydrophobicContact CG-CZ 3.86Å
150	V	98.5	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	104.5	-178.7	-172.9	0	0	0	0	108.2	F74 Y100 M102 T138 F139 F141	F74-V150 HydrophobicContact CE1-CG1 3.92Å; F74-V150 HydrophobicContact CE2-CG2 4.36Å; F74-V150 HydrophobicContact CZ-CG1 4.16Å; F74-V150 HydrophobicContact CZ-CG2 4.07Å; Y100-V150 HydrophobicContact CD1-CG1 3.98Å; Y100-V150 HydrophobicContact CD2-CG1 4.22Å; Y100-V150 HydrophobicContact CG-CG1 3.61Å; M102-V150 HydrophobicContact CE-CG2 3.91Å; M102-V150 HydrophobicContact CG-CG2 4.21Å; T138-V150 PolarHBondContact N-O 3.18Å; F139-V150 HydrophobicContact CB-CB 3.87Å; F139-V150 HydrophobicContact CB-CG2 4Å; F139-V150 HydrophobicContact CD2-CB 4.01Å; F139-V150 HydrophobicContact CD2-CG1 3.88Å; F139-V150 HydrophobicContact CG-CB 4.46Å; F139-V150 PolarHBondContact N-O 3.05Å; F139-V150 PolarHBondContact O-N 2.77Å; F141-V150 HydrophobicContact CE1-CG2 3.79Å
151	L	98.3	Very high	97.4	Very high	11 Å²	11	20.2 Å²	20.2	6%	0.058	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	156.6	-176.7	-53.9	105.8	0	0	0	110.8	Y100 A101 K103 L126 V135 N136 M149 F153	Y100-L151 CarbonylContact C-O 3.54Å; Y100-L151 WeakPolarHBondContact CA-O 3.34Å; Y100-L151 WeakPolarHBondContact CB-O 3.48Å; Y100-L151 WeakPolarHBondContact CD1-O 2.84Å; A101-L151 PolarHBondContact N-O 2.89Å; A101-L151 WeakPolarHBondContact O-CD1 3.26Å; A101-L151 PolarHBondContact O-N 3.33Å; K103-L151 HydrophobicContact CB-CD1 3.9Å; L126-L151 HydrophobicContact CD1-CD2 4.06Å; L126-L151 HydrophobicContact CD2-CD2 4.33Å; V135-L151 HydrophobicContact CB-CD2 4.48Å; V135-L151 HydrophobicContact CG1-CD2 3.64Å; V135-L151 HydrophobicContact CG2-CB 3.95Å; V135-L151 HydrophobicContact CG2-CD2 4Å; N136-L151 CarbonylContact O-C 3.44Å; N136-L151 WeakPolarHBondContact O-CA 3.24Å; M149-L151 HydrophobicContact CB-CD1 4.21Å; M149-L151 WeakPolarHBondContact O-CD1 3.28Å; L151-F153 PolarHBondContact O-N 3.17Å
152	E	97.3	Very high	97.2	Very high	44 Å²	44	20.2 Å²	20.2	21%	0.206	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	138.1	169.4	64.3	179.5	139.2	0	0	111	V135 N136 I154 K212	V135-E152 WeakPolarHBondContact CA-OE1 3.42Å; V135-E152 HydrophobicContact CG2-CG 3.62Å; N136-E152 HydrophobicContact CB-CG 4.36Å; N136-E152 PolarHBondContact N-OE1 3.17Å; N136-E152 PolarHBondContact O-N 3.47Å; E152-I154 HydrophobicContact CG-CD1 3.73Å; E152-I154 HydrophobicContact CG-CG1 4.38Å; E152-K212 WeakPolarHBondContact OE1-CE 3.29Å; E152-K212 IonicContact OE1-NZ 2.87Å; E152-K212 PolarHBondContact OE1-NZ 2.93Å; E152-K212 WeakPolarHBondContact OE2-CE 3.33Å; E152-K212 IonicContact OE2-NZ 2.76Å; E152-K212 PolarHBondContact OE2-NZ 3Å
153	F	98	Very high	97.2	Very high	25 Å²	25	17.8 Å²	17.8	11%	0.11	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-84.5	123.5	177.5	175.3	-121.9	0	0	0	110.8	L80 L90 L151 P352 D354 A355 F358	L80-F153 HydrophobicContact CD1-CD2 3.83Å; L80-F153 HydrophobicContact CD1-CE2 3.65Å; L80-F153 HydrophobicContact CD2-CE2 4.09Å; L90-F153 HydrophobicContact CD1-CB 4.33Å; L90-F153 HydrophobicContact CD1-CD1 3.72Å; L90-F153 HydrophobicContact CD1-CD2 3.8Å; L90-F153 HydrophobicContact CD1-CE1 3.89Å; L90-F153 HydrophobicContact CD1-CE2 3.98Å; L90-F153 HydrophobicContact CD1-CG 3.67Å; L90-F153 HydrophobicContact CD1-CZ 4.02Å; L151-F153 PolarHBondContact O-N 3.17Å; F153-P352 WeakPolarHBondContact CD1-O 3.42Å; F153-D354 WeakPolarHBondContact CZ-O 3.34Å; F153-A355 HydrophobicContact CZ-CB 4.39Å; F153-F358 HydrophobicContact CE2-CD2 4.37Å; F153-F358 AromaticContact CE2-CE2 3.64Å; F153-F358 HydrophobicContact CE2-CE2 3.64Å; F153-F358 HydrophobicContact CE2-CZ 4.06Å; F153-F358 AromaticContact CZ-CE2 3.94Å; F153-F358 HydrophobicContact CZ-CE2 3.94Å
154	I	97.6	Very high	97.2	Very high	9 Å²	9	21.6 Å²	21.6	5%	0.046	10%	0.104	C	C	.	.			trans	-107.9	99.4	-179.8	-51.7	-52.9	0	0	0	109.4	E152 G156 L204 I205 D206 K212 F358	E152-I154 HydrophobicContact CG-CD1 3.73Å; E152-I154 HydrophobicContact CG-CG1 4.38Å; I154-G156 VanDerWaalsContact C-N 3.34Å; I154-G156 PolarHBondContact O-N 3.46Å; I154-L204 HydrophobicContact CB-CB 3.92Å; I154-L204 HydrophobicContact CB-CD1 3.87Å; I154-L204 HydrophobicContact CG1-CB 4.45Å; I154-L204 HydrophobicContact CG1-CD1 4.15Å; I154-L204 HydrophobicContact CG2-CB 3.58Å; I154-L204 HydrophobicContact CG2-CD1 4.48Å; I154-I205 VanDerWaalsContact CG2-O 3.29Å; I154-I205 WeakPolarHBondContact CG2-O 3.37Å; I154-D206 HydrophobicContact CG2-CB 4Å; I154-K212 HydrophobicContact CD1-CB 4.25Å; I154-K212 HydrophobicContact CD1-CD 4.37Å; I154-K212 HydrophobicContact CD1-CG 3.68Å; I154-K212 HydrophobicContact CG1-CB 3.94Å; I154-K212 HydrophobicContact CG1-CG 3.95Å; I154-K212 HydrophobicContact CG2-CB 4.42Å; I154-K212 HydrophobicContact CG2-CG 4.45Å; I154-F358 VanDerWaalsContact O-CZ 3.26Å; I154-F358 WeakPolarHBondContact O-CZ 3.13Å
155	S	95.5	Very high	97	Very high	12 Å²	12	27.4 Å²	27.4	8%	0.084	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.8	-166.3	56	0	0	0	0	115.9	G157 C349 N357	S155-G157 VanDerWaalsContact C-N 3.26Å; S155-G157 PolarHBondContact O-N 3.37Å; S155-C349 PolarHBondContact OG-SG 3.49Å; S155-C349 VanDerWaalsContact OG-SG 3.32Å; S155-N357 PolarHBondContact O-ND2 3.43Å
156	G	96.3	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.9	-176.8	0	0	0	0	0	114.7	I154 H162 I205	I154-G156 VanDerWaalsContact C-N 3.34Å; I154-G156 PolarHBondContact O-N 3.46Å; G156-H162 PolarHBondContact O-NE2 2.73Å; G156-I205 CarbonylContact C-O 3.59Å; G156-I205 WeakPolarHBondContact CA-O 3.43Å; G156-I205 PolarHBondContact N-O 2.88Å; G156-I205 VanDerWaalsContact N-O 3.1Å
157	G	95.5	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.			trans	74.8	-170.3	177.4	0	0	0	0	0	113.9	S155 L204 I205	S155-G157 VanDerWaalsContact C-N 3.26Å; S155-G157 PolarHBondContact O-N 3.37Å; G157-L204 WeakPolarHBondContact O-CA 3.49Å; G157-I205 PolarHBondContact O-N 3.49Å
158	E	96.1	Very high	96.9	Very high	63 Å²	63	37.8 Å²	37.8	29%	0.294	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-78.6	139.2	-172.6	-62.6	170	-170.1	0	0	112.9	F160 S161 H162 L204	E158-F160 HydrophobicContact CB-CB 4.38Å; E158-F160 PolarHBondContact O-N 2.67Å; E158-S161 PolarHBondContact O-N 3.39Å; E158-H162 PolarHBondContact O-CD2 3.08Å; E158-H162 PolarHBondContact O-N 3.21Å; E158-L204 HydrophobicContact CB-CD2 4.43Å; E158-L204 HydrophobicContact CG-CD2 3.73Å
159	M	97.8	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.2	-36.6	170.7	173.1	-177.6	-74	0	0	110.9	S161 H162 L163 F169 Y177 P200 L203 I205 L211 L258 M262	M159-S161 PolarHBondContact O-N 3.01Å; M159-H162 PolarHBondContact O-N 3.23Å; M159-L163 VanDerWaalsContact O-CB 3.31Å; M159-L163 WeakPolarHBondContact O-CB 3.12Å; M159-L163 PolarHBondContact O-N 2.89Å; M159-F169 HydrophobicContact CE-CE2 4.5Å; M159-F169 HydrophobicContact CG-CE2 4.05Å; M159-F169 HydrophobicContact CG-CZ 4.37Å; M159-F169 HydrophobicContact SD-CE2 4.32Å; M159-Y177 HydrophobicContact CE-CD1 4.06Å; M159-Y177 HydrophobicContact CE-CD2 3.52Å; M159-Y177 HydrophobicContact CE-CE2 3.97Å; M159-Y177 HydrophobicContact CE-CG 3.57Å; M159-P200 HydrophobicContact CB-CB 4.42Å; M159-P200 HydrophobicContact CG-CB 4.21Å; M159-P200 HydrophobicContact SD-CB 4.42Å; M159-L203 HydrophobicContact CB-CB 3.99Å; M159-L203 WeakPolarHBondContact CB-O 3.11Å; M159-L203 HydrophobicContact CE-CB 4.5Å; M159-L203 HydrophobicContact CE-CD1 4.07Å; M159-L203 PolarHBondContact N-O 3Å; M159-L203 HydrophobicContact SD-CB 4.45Å; M159-L203 HydrophobicContact SD-CD1 3.79Å; M159-I205 HydrophobicContact CB-CD1 4.49Å; M159-L211 HydrophobicContact CE-CD1 3.9Å; M159-L211 HydrophobicContact CE-CD2 3.43Å; M159-L211 VanDerWaalsContact CE-CD2 3.43Å; M159-L211 HydrophobicContact CE-CG 4.29Å; M159-L258 HydrophobicContact SD-CD1 4.42Å; M159-M262 HydrophobicContact CE-SD 4Å; M159-M262 HydrophobicContact SD-CG 4.17Å; M159-M262 HydrophobicContact SD-SD 3.79Å
160	F	96.2	Very high	96.9	Very high	61 Å²	61	41.3 Å²	41.3	27%	0.268	20%	0.201	S	C	.	.	H	α-helix	trans	-50.8	-54.3	177.1	-178.8	-95.8	0	0	0	112.1	E158 H162 L163 R164 P200 E201	E158-F160 HydrophobicContact CB-CB 4.38Å; E158-F160 PolarHBondContact O-N 2.67Å; F160-H162 VanDerWaalsContact C-N 3.32Å; F160-H162 PolarHBondContact O-N 2.87Å; F160-L163 PolarHBondContact O-N 3.32Å; F160-R164 HydrophobicContact CD1-CG 4.24Å; F160-R164 HydrophobicContact CD2-CG 4.42Å; F160-R164 HydrophobicContact CE1-CG 3.91Å; F160-R164 HydrophobicContact CE2-CG 4.12Å; F160-R164 HydrophobicContact CG-CG 4.48Å; F160-R164 HydrophobicContact CZ-CG 3.85Å; F160-R164 WeakPolarHBondContact O-CB 3.5Å; F160-R164 VanDerWaalsContact O-CG 3.31Å; F160-R164 WeakPolarHBondContact O-CG 3.4Å; F160-R164 PolarHBondContact O-N 3.02Å; F160-P200 HydrophobicContact CB-CB 3.87Å; F160-P200 HydrophobicContact CD2-CB 4.28Å; F160-P200 PolarHBondContact N-O 2.87Å; F160-E201 HydrophobicContact CB-CG 3.97Å; F160-E201 HydrophobicContact CD2-CG 3.86Å; F160-E201 WeakPolarHBondContact CD2-OE1 3.46Å; F160-E201 HydrophobicContact CG-CG 3.9Å
161	S	95	Very high	96.9	Very high	36 Å²	36	42.9 Å²	42.9	25%	0.252	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-39.5	-179.1	-65.9	0	0	0	0	112.5	E158 M159 R165	E158-S161 PolarHBondContact O-N 3.39Å; M159-S161 PolarHBondContact O-N 3.01Å; S161-R165 VanDerWaalsContact O-CB 3.29Å; S161-R165 WeakPolarHBondContact O-CB 3.08Å; S161-R165 PolarHBondContact O-N 3.1Å; S161-R165 VanDerWaalsContact O-N 3.1Å
162	H	95.7	Very high	96.9	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-70.5	-43.3	176.4	-65.4	-63.9	0	0	0	112.5	G156 E158 M159 F160 R165 I166 F345	G156-H162 PolarHBondContact O-NE2 2.73Å; E158-H162 PolarHBondContact O-CD2 3.08Å; E158-H162 PolarHBondContact O-N 3.21Å; M159-H162 PolarHBondContact O-N 3.23Å; F160-H162 VanDerWaalsContact C-N 3.32Å; F160-H162 PolarHBondContact O-N 2.87Å; H162-R165 PolarHBondContact ND1-NH1 2.79Å; H162-R165 PolarHBondContact O-N 2.84Å; H162-I166 WeakPolarHBondContact O-CB 3.46Å; H162-I166 WeakPolarHBondContact O-CG1 3.48Å; H162-I166 PolarHBondContact O-N 3.02Å; H162-F345 HydrophobicContact CB-CE1 4.49Å; H162-F345 AromaticContact CE1-CE1 3.74Å; H162-F345 AromaticContact CE1-CZ 3.56Å; H162-F345 AromaticContact CG-CE1 3.81Å; H162-F345 AromaticContact CG-CZ 3.94Å; H162-F345 AromaticContact ND1-CE1 3.66Å; H162-F345 AromaticContact ND1-CZ 3.34Å; H162-F345 VanDerWaalsContact ND1-CZ 3.34Å; H162-F345 WeakPolarHBondContact ND1-CZ 3.43Å; H162-F345 AromaticContact NE2-CE1 3.96Å
163	L	97.1	Very high	96.9	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-45.8	178.2	179.3	60.3	0	0	0	110.8	M159 F160 R165 I166 G167 F169 P200 E261	M159-L163 VanDerWaalsContact O-CB 3.31Å; M159-L163 WeakPolarHBondContact O-CB 3.12Å; M159-L163 PolarHBondContact O-N 2.89Å; F160-L163 PolarHBondContact O-N 3.32Å; L163-R165 PolarHBondContact O-N 2.94Å; L163-I166 PolarHBondContact O-N 3.11Å; L163-G167 CarbonylContact O-C 3.56Å; L163-G167 WeakPolarHBondContact O-CA 3.34Å; L163-G167 PolarHBondContact O-N 3.27Å; L163-F169 HydrophobicContact CB-CE1 4.39Å; L163-F169 HydrophobicContact CB-CE2 4.27Å; L163-F169 HydrophobicContact CB-CZ 3.89Å; L163-F169 HydrophobicContact CD1-CD1 4.12Å; L163-F169 HydrophobicContact CD1-CD2 4.02Å; L163-F169 HydrophobicContact CD1-CE1 4.11Å; L163-F169 HydrophobicContact CD1-CE2 4.02Å; L163-F169 HydrophobicContact CD1-CG 4.06Å; L163-F169 HydrophobicContact CD1-CZ 4.06Å; L163-P200 HydrophobicContact CD2-CG 4.33Å; L163-E261 HydrophobicContact CD2-CG 4.06Å
164	R	96.8	Very high	96.9	Very high	112 Å²	112	43.8 Å²	43.8	42%	0.423	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-39.8	177.7	-67.2	-66.4	170.3	-155.3	-7.1	112.4	F160 G167 E261 G265	F160-R164 HydrophobicContact CD1-CG 4.24Å; F160-R164 HydrophobicContact CD2-CG 4.42Å; F160-R164 HydrophobicContact CE1-CG 3.91Å; F160-R164 HydrophobicContact CE2-CG 4.12Å; F160-R164 HydrophobicContact CG-CG 4.48Å; F160-R164 HydrophobicContact CZ-CG 3.85Å; F160-R164 WeakPolarHBondContact O-CB 3.5Å; F160-R164 VanDerWaalsContact O-CG 3.31Å; F160-R164 WeakPolarHBondContact O-CG 3.4Å; F160-R164 PolarHBondContact O-N 3.02Å; R164-G167 PolarHBondContact O-N 3.32Å; R164-E261 IonicContact CZ-OE1 3.82Å; R164-E261 IonicContact NH2-OE1 2.77Å; R164-E261 PolarHBondContact NH2-OE1 3.36Å; R164-G265 PolarHBondContact NH1-O 3.1Å
165	R	95.3	Very high	97	Very high	173 Å²	173	45.2 Å²	45.2	65%	0.653	22%	0.224	S	C	*	.	H	α-helix	trans	-66.5	-41.8	177.2	-172.9	-173.9	-61.5	139.9	-1.1	112.7	S161 H162 L163 G167	S161-R165 VanDerWaalsContact O-CB 3.29Å; S161-R165 WeakPolarHBondContact O-CB 3.08Å; S161-R165 PolarHBondContact O-N 3.1Å; S161-R165 VanDerWaalsContact O-N 3.1Å; H162-R165 PolarHBondContact ND1-NH1 2.79Å; H162-R165 PolarHBondContact O-N 2.84Å; L163-R165 PolarHBondContact O-N 2.94Å; R165-G167 VanDerWaalsContact C-N 3.34Å
166	I	95.7	Very high	97.2	Very high	84 Å²	84	45.3 Å²	45.3	43%	0.431	22%	0.223	S	C	.	.	H	α-helix	trans	-80.1	-22.3	-179.4	-66.7	165.1	0	0	0	111.1	H162 L163 R168 F169	H162-I166 WeakPolarHBondContact O-CB 3.46Å; H162-I166 WeakPolarHBondContact O-CG1 3.48Å; H162-I166 PolarHBondContact O-N 3.02Å; L163-I166 PolarHBondContact O-N 3.11Å; I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 WeakPolarHBondContact CG2-O 3.46Å; I166-R168 PolarHBondContact O-N 2.88Å; I166-F169 HydrophobicContact CB-CE1 4.43Å; I166-F169 HydrophobicContact CD1-CD1 4.45Å; I166-F169 HydrophobicContact CD1-CE1 3.83Å; I166-F169 HydrophobicContact CG2-CD1 4.37Å
167	G	97.6	Very high	97.3	Very high	40 Å²	40	45.3 Å²	45.3	41%	0.412	22%	0.223	S	C	.	.	S	Bend	trans	90.6	-54.9	-176.3	0	0	0	0	0	111.6	L163 R164 R165 G265	L163-G167 CarbonylContact O-C 3.56Å; L163-G167 WeakPolarHBondContact O-CA 3.34Å; L163-G167 PolarHBondContact O-N 3.27Å; R164-G167 PolarHBondContact O-N 3.32Å; R165-G167 VanDerWaalsContact C-N 3.34Å; G167-G265 WeakPolarHBondContact O-CA 3.32Å
168	R	97.7	Very high	97.4	Very high	117 Å²	117	45.3 Å²	45.3	44%	0.442	22%	0.223	S	C	.	.			trans	-158.3	154.1	173.5	69.1	-175.2	-178.2	-178.6	2.6	111.5	I166 A263 H291	I166-R168 VanDerWaalsContact C-N 3.3Å; I166-R168 WeakPolarHBondContact CG2-O 3.46Å; I166-R168 PolarHBondContact O-N 2.88Å; R168-A263 WeakPolarHBondContact CD-O 3.35Å; R168-H291 PolarHBondContact NH1-CD2 3.49Å; R168-H291 VanDerWaalsContact NH1-CD2 3.34Å; R168-H291 PolarHBondContact NH1-CE1 3.46Å; R168-H291 PolarHBondContact NH1-ND1 3.07Å; R168-H291 VanDerWaalsContact NH1-ND1 3.17Å; R168-H291 PolarHBondContact NH1-NE2 2.73Å
169	F	98.3	Very high	97.6	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.018	21%	0.209	C	C	.	.			trans	-85.5	151.6	171.2	-60.9	-26.9	0	0	0	111.6	M159 L163 I166 H173 S174 Y177 M262	M159-F169 HydrophobicContact CE-CE2 4.5Å; M159-F169 HydrophobicContact CG-CE2 4.05Å; M159-F169 HydrophobicContact CG-CZ 4.37Å; M159-F169 HydrophobicContact SD-CE2 4.32Å; L163-F169 HydrophobicContact CB-CE1 4.39Å; L163-F169 HydrophobicContact CB-CE2 4.27Å; L163-F169 HydrophobicContact CB-CZ 3.89Å; L163-F169 HydrophobicContact CD1-CD1 4.12Å; L163-F169 HydrophobicContact CD1-CD2 4.02Å; L163-F169 HydrophobicContact CD1-CE1 4.11Å; L163-F169 HydrophobicContact CD1-CE2 4.02Å; L163-F169 HydrophobicContact CD1-CG 4.06Å; L163-F169 HydrophobicContact CD1-CZ 4.06Å; I166-F169 HydrophobicContact CB-CE1 4.43Å; I166-F169 HydrophobicContact CD1-CD1 4.45Å; I166-F169 HydrophobicContact CD1-CE1 3.83Å; I166-F169 HydrophobicContact CG2-CD1 4.37Å; F169-H173 HydrophobicContact CB-CB 4.01Å; F169-H173 AromaticContact CD1-CE1 3.61Å; F169-H173 AromaticContact CD1-ND1 3.62Å; F169-H173 AromaticContact CE1-CE1 3.87Å; F169-H173 AromaticContact CG-CG 3.97Å; F169-H173 AromaticContact CG-ND1 3.8Å; F169-S174 WeakPolarHBondContact CB-OG 3.33Å; F169-Y177 AromaticContact CD2-CD2 3.97Å; F169-Y177 HydrophobicContact CD2-CD2 3.97Å; F169-Y177 AromaticContact CD2-CE2 3.99Å; F169-Y177 HydrophobicContact CD2-CE2 3.99Å; F169-Y177 AromaticContact CE2-CD2 3.88Å; F169-Y177 HydrophobicContact CE2-CD2 3.88Å; F169-Y177 AromaticContact CE2-CE2 3.66Å; F169-Y177 HydrophobicContact CE2-CE2 3.66Å; F169-Y177 HydrophobicContact CZ-CE2 4.19Å; F169-M262 HydrophobicContact CD2-CB 3.95Å; F169-M262 HydrophobicContact CD2-CG 3.95Å; F169-M262 HydrophobicContact CD2-SD 4.13Å; F169-M262 HydrophobicContact CE2-CG 4.29Å; F169-M262 HydrophobicContact CE2-SD 4.4Å; F169-M262 PolarHBondContact N-O 3.48Å
170	S	98.3	Very high	97.6	Very high	70 Å²	70	42.3 Å²	42.3	49%	0.49	21%	0.209	S	C	.	.			trans	-69.1	156.9	168.9	69.2	0	0	0	0	110.2	H173 S174	S170-H173 WeakPolarHBondContact O-CA 3.29Å; S170-H173 WeakPolarHBondContact O-CB 3.24Å; S170-H173 PolarHBondContact O-N 3.46Å; S170-H173 WeakPolarHBondContact OG-CB 3.36Å; S170-H173 PolarHBondContact OG-N 2.91Å; S170-S174 PolarHBondContact O-N 3.29Å; S170-S174 PolarHBondContact O-OG 2.77Å
171	E	98.6	Very high	97.7	Very high	34 Å²	34	39.4 Å²	39.4	16%	0.159	20%	0.196	C	C	.	.	H	α-helix	trans	-56.7	-40.6	178.2	-67.2	-165.8	-152.4	0	0	114.1	H173 S174 R175 S293 L296 W327	E171-H173 VanDerWaalsContact C-N 3.31Å; E171-H173 PolarHBondContact O-N 3.41Å; E171-S174 PolarHBondContact O-N 2.84Å; E171-R175 VanDerWaalsContact O-CB 3.26Å; E171-R175 WeakPolarHBondContact O-CB 3.35Å; E171-R175 PolarHBondContact O-N 2.82Å; E171-S293 WeakPolarHBondContact OE1-CB 2.99Å; E171-S293 PolarHBondContact OE1-N 3.46Å; E171-S293 PolarHBondContact OE1-OG 2.9Å; E171-S293 WeakPolarHBondContact OE2-CB 3.25Å; E171-S293 PolarHBondContact OE2-OG 3Å; E171-L296 HydrophobicContact CG-CD2 3.85Å; E171-W327 HydrophobicContact CB-CZ2 4.36Å; E171-W327 PolarHBondContact OE2-NE1 2.96Å
172	P	98.4	Very high	97.9	Very high	79 Å²	79	37.7 Å²	37.7	51%	0.513	18%	0.184	S	C	.	.	H	α-helix	trans	-59.2	-39.5	172	-25.2	35.6	0	0	0	113.9	R175 F176	P172-R175 PolarHBondContact O-N 3.4Å; P172-F176 PolarHBondContact O-N 3.4Å; P172-F176 VanDerWaalsContact O-N 3.07Å
173	H	97.9	Very high	98	Very high	20 Å²	20	38 Å²	38	9%	0.093	19%	0.186	C	C	.	.	H	α-helix	trans	-68.1	-47.4	177.7	-171.4	171.5	0	0	0	111.1	F169 S170 E171 R175 F176 Y177 P344	F169-H173 HydrophobicContact CB-CB 4.01Å; F169-H173 AromaticContact CD1-CE1 3.61Å; F169-H173 AromaticContact CD1-ND1 3.62Å; F169-H173 AromaticContact CE1-CE1 3.87Å; F169-H173 AromaticContact CG-CG 3.97Å; F169-H173 AromaticContact CG-ND1 3.8Å; S170-H173 WeakPolarHBondContact O-CA 3.29Å; S170-H173 WeakPolarHBondContact O-CB 3.24Å; S170-H173 PolarHBondContact O-N 3.46Å; S170-H173 WeakPolarHBondContact OG-CB 3.36Å; S170-H173 PolarHBondContact OG-N 2.91Å; E171-H173 VanDerWaalsContact C-N 3.31Å; E171-H173 PolarHBondContact O-N 3.41Å; H173-R175 VanDerWaalsContact C-N 3.27Å; H173-R175 PolarHBondContact O-N 3Å; H173-F176 WeakPolarHBondContact O-CB 3.49Å; H173-F176 PolarHBondContact O-N 3.37Å; H173-Y177 AromaticContact CD2-CD2 3.67Å; H173-Y177 AromaticContact CD2-CE2 3.14Å; H173-Y177 WeakPolarHBondContact CD2-CE2 3.28Å; H173-Y177 AromaticContact CD2-CZ 3.71Å; H173-Y177 AromaticContact NE2-CD2 3.96Å; H173-Y177 AromaticContact NE2-CE2 2.97Å; H173-Y177 WeakPolarHBondContact NE2-CE2 3.27Å; H173-Y177 AromaticContact NE2-CZ 3.32Å; H173-Y177 VanDerWaalsContact NE2-CZ 3.32Å; H173-Y177 PolarHBondContact NE2-OH 3.19Å; H173-Y177 VanDerWaalsContact NE2-OH 3.09Å; H173-Y177 PolarHBondContact O-N 3.46Å; H173-P344 HydrophobicContact CB-CB 4.14Å; H173-P344 HydrophobicContact CB-CG 4.24Å; H173-P344 WeakPolarHBondContact CD2-CG 3.49Å
174	S	98.6	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.2	-38.9	173.2	-58.3	0	0	0	0	112	F169 S170 E171 Y177 A178 M262	F169-S174 WeakPolarHBondContact CB-OG 3.33Å; S170-S174 PolarHBondContact O-N 3.29Å; S170-S174 PolarHBondContact O-OG 2.77Å; E171-S174 PolarHBondContact O-N 2.84Å; S174-Y177 PolarHBondContact O-N 3.47Å; S174-A178 WeakPolarHBondContact O-CB 3.3Å; S174-A178 PolarHBondContact O-N 3.33Å; S174-M262 WeakPolarHBondContact O-CE 3.49Å; S174-M262 WeakPolarHBondContact OG-CB 3.35Å
175	R	98.8	Very high	98.2	Very high	39 Å²	39	32.6 Å²	32.6	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-41.5	178.2	-173.2	-172.4	-57.7	114.7	6.4	112.4	E171 P172 H173 Y177 A178 A179 W327 F328 T331	E171-R175 VanDerWaalsContact O-CB 3.26Å; E171-R175 WeakPolarHBondContact O-CB 3.35Å; E171-R175 PolarHBondContact O-N 2.82Å; P172-R175 PolarHBondContact O-N 3.4Å; H173-R175 VanDerWaalsContact C-N 3.27Å; H173-R175 PolarHBondContact O-N 3Å; R175-Y177 VanDerWaalsContact C-N 3.32Å; R175-Y177 PolarHBondContact O-N 2.98Å; R175-A178 PolarHBondContact O-N 3.38Å; R175-A179 WeakPolarHBondContact O-CB 3.26Å; R175-A179 PolarHBondContact O-N 3.46Å; R175-W327 HydrophobicContact CB-CE3 4.43Å; R175-W327 HydrophobicContact CB-CH2 3.59Å; R175-W327 HydrophobicContact CB-CZ2 3.95Å; R175-W327 HydrophobicContact CB-CZ3 3.84Å; R175-W327 WeakPolarHBondContact CD-O 3.36Å; R175-W327 HydrophobicContact CG-CE3 4.15Å; R175-W327 HydrophobicContact CG-CH2 4.18Å; R175-W327 HydrophobicContact CG-CZ3 3.9Å; R175-W327 PolarHBondContact NE-O 3.43Å; R175-F328 HydrophobicContact CG-CD1 3.71Å; R175-F328 HydrophobicContact CG-CE1 3.9Å; R175-T331 WeakPolarHBondContact CD-OG1 3.29Å
176	F	98.8	Very high	98.3	Very high	14 Å²	14	25.7 Å²	25.7	6%	0.061	14%	0.141	C	C	.	.	H	α-helix	trans	-57.6	-45.9	176.7	172	-98.8	0	0	0	111.6	P172 H173 Q180 Y210 I336 I341 A343 P344	P172-F176 PolarHBondContact O-N 3.4Å; P172-F176 VanDerWaalsContact O-N 3.07Å; H173-F176 WeakPolarHBondContact O-CB 3.49Å; H173-F176 PolarHBondContact O-N 3.37Å; F176-Q180 VanDerWaalsContact CD1-NE2 3.26Å; F176-Q180 PolarHBondContact O-NE2 2.92Å; F176-Y210 HydrophobicContact CE2-CD1 4.49Å; F176-Y210 AromaticContact CE2-CE1 3.85Å; F176-Y210 HydrophobicContact CE2-CE1 3.85Å; F176-Y210 HydrophobicContact CE2-CE2 4.31Å; F176-Y210 AromaticContact CE2-CZ 3.73Å; F176-Y210 AromaticContact CZ-CD1 3.88Å; F176-Y210 HydrophobicContact CZ-CD1 3.88Å; F176-Y210 HydrophobicContact CZ-CD2 4.08Å; F176-Y210 AromaticContact CZ-CE1 3.65Å; F176-Y210 HydrophobicContact CZ-CE1 3.65Å; F176-Y210 AromaticContact CZ-CE2 3.87Å; F176-Y210 HydrophobicContact CZ-CE2 3.87Å; F176-Y210 HydrophobicContact CZ-CG 4.09Å; F176-Y210 AromaticContact CZ-CZ 3.64Å; F176-I336 HydrophobicContact CD2-CD1 3.63Å; F176-I336 HydrophobicContact CE2-CD1 3.83Å; F176-I341 HydrophobicContact CD2-CG2 3.99Å; F176-I341 HydrophobicContact CE2-CB 4.17Å; F176-I341 HydrophobicContact CE2-CG2 4.01Å; F176-A343 HydrophobicContact CE1-CB 4.09Å; F176-A343 HydrophobicContact CZ-CB 3.86Å; F176-P344 HydrophobicContact CB-CG 4.15Å; F176-P344 HydrophobicContact CD1-CG 3.76Å; F176-P344 HydrophobicContact CE1-CG 4.39Å; F176-P344 HydrophobicContact CG-CG 4.05Å
177	Y	98.8	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-71.5	-44.3	176.8	-69	-38.5	0	0	0	113	M159 F169 H173 S174 R175 A179 Q180 I181 G209 L211 M262	M159-Y177 HydrophobicContact CE-CD1 4.06Å; M159-Y177 HydrophobicContact CE-CD2 3.52Å; M159-Y177 HydrophobicContact CE-CE2 3.97Å; M159-Y177 HydrophobicContact CE-CG 3.57Å; F169-Y177 AromaticContact CD2-CD2 3.97Å; F169-Y177 HydrophobicContact CD2-CD2 3.97Å; F169-Y177 AromaticContact CD2-CE2 3.99Å; F169-Y177 HydrophobicContact CD2-CE2 3.99Å; F169-Y177 AromaticContact CE2-CD2 3.88Å; F169-Y177 HydrophobicContact CE2-CD2 3.88Å; F169-Y177 AromaticContact CE2-CE2 3.66Å; F169-Y177 HydrophobicContact CE2-CE2 3.66Å; F169-Y177 HydrophobicContact CZ-CE2 4.19Å; H173-Y177 AromaticContact CD2-CD2 3.67Å; H173-Y177 AromaticContact CD2-CE2 3.14Å; H173-Y177 WeakPolarHBondContact CD2-CE2 3.28Å; H173-Y177 AromaticContact CD2-CZ 3.71Å; H173-Y177 AromaticContact NE2-CD2 3.96Å; H173-Y177 AromaticContact NE2-CE2 2.97Å; H173-Y177 WeakPolarHBondContact NE2-CE2 3.27Å; H173-Y177 AromaticContact NE2-CZ 3.32Å; H173-Y177 VanDerWaalsContact NE2-CZ 3.32Å; H173-Y177 PolarHBondContact NE2-OH 3.19Å; H173-Y177 VanDerWaalsContact NE2-OH 3.09Å; H173-Y177 PolarHBondContact O-N 3.46Å; S174-Y177 PolarHBondContact O-N 3.47Å; R175-Y177 VanDerWaalsContact C-N 3.32Å; R175-Y177 PolarHBondContact O-N 2.98Å; Y177-A179 PolarHBondContact O-N 2.91Å; Y177-Q180 WeakPolarHBondContact O-CB 3.43Å; Y177-Q180 PolarHBondContact O-N 3.25Å; Y177-I181 PolarHBondContact O-N 2.9Å; Y177-G209 WeakPolarHBondContact CE1-O 3.49Å; Y177-L211 HydrophobicContact CD1-CD1 3.79Å; Y177-L211 HydrophobicContact CD1-CD2 3.63Å; Y177-L211 HydrophobicContact CD1-CG 3.58Å; Y177-L211 HydrophobicContact CE1-CD2 3.84Å; Y177-L211 HydrophobicContact CE1-CG 4.15Å; Y177-L211 HydrophobicContact CG-CD1 4.1Å; Y177-L211 HydrophobicContact CG-CD2 4.33Å; Y177-L211 HydrophobicContact CG-CG 4.36Å; Y177-M262 HydrophobicContact CD2-SD 4.05Å; Y177-M262 HydrophobicContact CG-SD 4.43Å
178	A	98.9	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-38	177.3	0	0	0	0	0	112.1	S174 R175 Q180 I181 V182 I259 M262 W327 F328	S174-A178 WeakPolarHBondContact O-CB 3.3Å; S174-A178 PolarHBondContact O-N 3.33Å; R175-A178 PolarHBondContact O-N 3.38Å; A178-Q180 VanDerWaalsContact C-N 3.28Å; A178-Q180 PolarHBondContact O-N 2.83Å; A178-I181 PolarHBondContact O-N 3.43Å; A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.29Å; A178-V182 PolarHBondContact O-N 3.12Å; A178-I259 HydrophobicContact CB-CD1 3.83Å; A178-I259 HydrophobicContact CB-CG1 3.67Å; A178-M262 HydrophobicContact CB-CE 4.36Å; A178-W327 HydrophobicContact CB-CH2 4.38Å; A178-W327 HydrophobicContact CB-CZ3 4.08Å; A178-F328 HydrophobicContact CB-CE1 4.05Å; A178-F328 HydrophobicContact CB-CZ 3.85Å
179	A	98.8	Very high	98.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-38.1	177.1	0	0	0	0	0	112.2	R175 Y177 V182 L183 F328 T331 W333 I336	R175-A179 WeakPolarHBondContact O-CB 3.26Å; R175-A179 PolarHBondContact O-N 3.46Å; Y177-A179 PolarHBondContact O-N 2.91Å; A179-V182 PolarHBondContact O-N 3.26Å; A179-L183 WeakPolarHBondContact O-CG 3.5Å; A179-L183 PolarHBondContact O-N 3.01Å; A179-L183 VanDerWaalsContact O-N 3.12Å; A179-F328 HydrophobicContact CB-CE1 4.19Å; A179-T331 HydrophobicContact CB-CG2 3.79Å; A179-W333 HydrophobicContact CB-CE3 4.41Å; A179-W333 HydrophobicContact CB-CH2 4.25Å; A179-W333 HydrophobicContact CB-CZ3 3.8Å; A179-I336 HydrophobicContact CB-CG1 4.3Å; A179-I336 HydrophobicContact CB-CG2 4.35Å
180	Q	98.8	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.1	-41.6	177.3	-65.3	165.3	68.9	0	0	111.4	F133 F176 Y177 A178 L183 A184 Y210 L211 I336	F133-Q180 HydrophobicContact CD1-CB 4.32Å; F133-Q180 HydrophobicContact CD1-CG 4.17Å; F133-Q180 HydrophobicContact CD2-CB 3.78Å; F133-Q180 HydrophobicContact CD2-CG 4.16Å; F133-Q180 WeakPolarHBondContact CD2-O 3.29Å; F133-Q180 HydrophobicContact CE1-CG 4Å; F133-Q180 HydrophobicContact CE2-CB 4.05Å; F133-Q180 HydrophobicContact CE2-CG 3.98Å; F133-Q180 HydrophobicContact CG-CB 3.95Å; F133-Q180 HydrophobicContact CG-CG 4.27Å; F133-Q180 HydrophobicContact CZ-CB 4.43Å; F133-Q180 HydrophobicContact CZ-CG 3.91Å; F176-Q180 VanDerWaalsContact CD1-NE2 3.26Å; F176-Q180 PolarHBondContact O-NE2 2.92Å; Y177-Q180 WeakPolarHBondContact O-CB 3.43Å; Y177-Q180 PolarHBondContact O-N 3.25Å; A178-Q180 VanDerWaalsContact C-N 3.28Å; A178-Q180 PolarHBondContact O-N 2.83Å; Q180-L183 PolarHBondContact O-N 2.99Å; Q180-A184 WeakPolarHBondContact O-CB 3.34Å; Q180-A184 PolarHBondContact O-N 2.82Å; Q180-Y210 HydrophobicContact CG-CD1 4.28Å; Q180-Y210 VanDerWaalsContact OE1-CD1 3.28Å; Q180-L211 HydrophobicContact CB-CD1 4.33Å; Q180-I336 HydrophobicContact CG-CG2 3.73Å
181	I	98.9	Very high	98.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.8	-40.8	175.8	-56.1	-54.9	0	0	0	111.4	Y177 A178 L183 A184 F185 L198 L203 L211 I213 L255 L258	Y177-I181 PolarHBondContact O-N 2.9Å; A178-I181 PolarHBondContact O-N 3.43Å; I181-L183 VanDerWaalsContact C-N 3.33Å; I181-L183 PolarHBondContact O-N 3.43Å; I181-A184 PolarHBondContact O-N 2.62Å; I181-F185 HydrophobicContact CG2-CD1 4.46Å; I181-F185 HydrophobicContact CG2-CD2 3.95Å; I181-F185 HydrophobicContact CG2-CE1 4.27Å; I181-F185 HydrophobicContact CG2-CE2 3.7Å; I181-F185 HydrophobicContact CG2-CG 4.33Å; I181-F185 HydrophobicContact CG2-CZ 3.91Å; I181-F185 WeakPolarHBondContact O-CB 3.43Å; I181-F185 PolarHBondContact O-N 3.2Å; I181-L198 HydrophobicContact CD1-CD1 4.16Å; I181-L198 HydrophobicContact CG2-CD1 3.96Å; I181-L198 HydrophobicContact CG2-CD2 3.93Å; I181-L203 HydrophobicContact CD1-CD1 4.08Å; I181-L203 HydrophobicContact CD1-CD2 3.58Å; I181-L203 HydrophobicContact CD1-CG 4.5Å; I181-L211 HydrophobicContact CD1-CD1 3.86Å; I181-L211 HydrophobicContact CG1-CD1 4.22Å; I181-I213 HydrophobicContact CD1-CD1 3.8Å; I181-I213 HydrophobicContact CD1-CG1 3.98Å; I181-L255 HydrophobicContact CB-CD1 4.01Å; I181-L255 HydrophobicContact CG2-CD1 3.83Å; I181-L258 HydrophobicContact CG1-CD2 3.95Å
182	V	98.8	Very high	98.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.3	-46.2	175.6	168.6	0	0	0	0	111	A178 A179 F185 E186 W252 L255 V319 I322 K323 F328 W333	A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.29Å; A178-V182 PolarHBondContact O-N 3.12Å; A179-V182 PolarHBondContact O-N 3.26Å; V182-F185 PolarHBondContact O-N 3.26Å; V182-E186 WeakPolarHBondContact O-CB 3.49Å; V182-E186 PolarHBondContact O-N 3.4Å; V182-W252 HydrophobicContact CG1-CZ3 4.49Å; V182-W252 HydrophobicContact CG2-CZ3 4.29Å; V182-L255 HydrophobicContact CG2-CD2 3.55Å; V182-V319 HydrophobicContact CG1-CG2 3.79Å; V182-I322 HydrophobicContact CG1-CG2 4.49Å; V182-I322 HydrophobicContact CG2-CG2 3.83Å; V182-K323 HydrophobicContact CG1-CD 4.25Å; V182-K323 HydrophobicContact CG1-CG 3.74Å; V182-F328 HydrophobicContact CG2-CZ 4.18Å; V182-W333 HydrophobicContact CB-CH2 4.12Å; V182-W333 HydrophobicContact CB-CZ3 3.83Å; V182-W333 HydrophobicContact CG1-CH2 3.85Å; V182-W333 HydrophobicContact CG1-CZ3 3.67Å; V182-W333 HydrophobicContact CG2-CH2 4.41Å
183	L	98.1	Very high	98.3	Very high	10 Å²	10	9.7 Å²	9.7	5%	0.052	5%	0.048	C	C	.	.	H	α-helix	trans	-66.1	-40.4	177.7	-70.3	172	0	0	0	112.1	F131 F133 A179 Q180 I181 E186 Y187 W333 I336	F131-L183 HydrophobicContact CE1-CB 4.15Å; F131-L183 HydrophobicContact CZ-CB 4.03Å; F133-L183 HydrophobicContact CD2-CB 4.31Å; F133-L183 HydrophobicContact CE2-CB 4.09Å; F133-L183 HydrophobicContact CE2-CD1 3.82Å; A179-L183 WeakPolarHBondContact O-CG 3.5Å; A179-L183 PolarHBondContact O-N 3.01Å; A179-L183 VanDerWaalsContact O-N 3.12Å; Q180-L183 PolarHBondContact O-N 2.99Å; I181-L183 VanDerWaalsContact C-N 3.33Å; I181-L183 PolarHBondContact O-N 3.43Å; L183-E186 PolarHBondContact O-N 2.94Å; L183-Y187 WeakPolarHBondContact O-CB 3.48Å; L183-Y187 PolarHBondContact O-N 3.15Å; L183-W333 HydrophobicContact CD1-CE3 4.21Å; L183-W333 HydrophobicContact CD2-CE3 3.94Å; L183-W333 HydrophobicContact CG-CE3 3.88Å; L183-W333 HydrophobicContact CG-CZ3 4.31Å; L183-I336 HydrophobicContact CD1-CB 4.21Å; L183-I336 HydrophobicContact CD1-CG2 3.73Å
184	A	98.5	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64	-42.3	176.8	0	0	0	0	0	112.2	F131 L134 Q180 I181 Y187 L188 I213	F131-A184 HydrophobicContact CD1-CB 4.38Å; F131-A184 HydrophobicContact CE1-CB 4.3Å; L134-A184 HydrophobicContact CD2-CB 3.9Å; Q180-A184 WeakPolarHBondContact O-CB 3.34Å; Q180-A184 PolarHBondContact O-N 2.82Å; I181-A184 PolarHBondContact O-N 2.62Å; A184-Y187 WeakPolarHBondContact O-CB 3.45Å; A184-Y187 PolarHBondContact O-N 3.25Å; A184-L188 WeakPolarHBondContact O-CB 3.36Å; A184-L188 WeakPolarHBondContact O-CG 3.37Å; A184-L188 PolarHBondContact O-N 2.85Å; A184-I213 HydrophobicContact CB-CD1 3.61Å
185	F	98.7	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69.9	-39.9	175	-74.7	-8.3	0	0	0	112.6	I181 V182 Y187 L188 H189 Y195 L198 D251 W252 L255	I181-F185 HydrophobicContact CG2-CD1 4.46Å; I181-F185 HydrophobicContact CG2-CD2 3.95Å; I181-F185 HydrophobicContact CG2-CE1 4.27Å; I181-F185 HydrophobicContact CG2-CE2 3.7Å; I181-F185 HydrophobicContact CG2-CG 4.33Å; I181-F185 HydrophobicContact CG2-CZ 3.91Å; I181-F185 WeakPolarHBondContact O-CB 3.43Å; I181-F185 PolarHBondContact O-N 3.2Å; V182-F185 PolarHBondContact O-N 3.26Å; F185-Y187 VanDerWaalsContact C-N 3.26Å; F185-Y187 PolarHBondContact O-N 3.48Å; F185-L188 HydrophobicContact CD1-CD1 4.38Å; F185-L188 PolarHBondContact O-N 2.96Å; F185-H189 WeakPolarHBondContact O-CB 3.41Å; F185-H189 PolarHBondContact O-CD2 3.43Å; F185-H189 PolarHBondContact O-N 2.91Å; F185-Y195 HydrophobicContact CE1-CD1 4.04Å; F185-Y195 HydrophobicContact CE1-CG 4.24Å; F185-Y195 HydrophobicContact CZ-CD1 4.37Å; F185-L198 HydrophobicContact CE2-CD2 3.9Å; F185-L198 HydrophobicContact CZ-CB 4.04Å; F185-L198 HydrophobicContact CZ-CD1 4.04Å; F185-L198 HydrophobicContact CZ-CD2 3.77Å; F185-L198 HydrophobicContact CZ-CG 4.17Å; F185-D251 HydrophobicContact CD2-CB 3.93Å; F185-D251 HydrophobicContact CE1-CB 4.34Å; F185-D251 HydrophobicContact CE2-CB 3.63Å; F185-D251 VanDerWaalsContact CE2-O 3.26Å; F185-D251 WeakPolarHBondContact CE2-O 3.46Å; F185-D251 HydrophobicContact CG-CB 4.41Å; F185-D251 HydrophobicContact CZ-CB 3.83Å; F185-W252 HydrophobicContact CB-CH2 3.53Å; F185-W252 HydrophobicContact CB-CZ2 3.99Å; F185-W252 HydrophobicContact CB-CZ3 3.9Å; F185-W252 HydrophobicContact CD2-CE3 4.03Å; F185-W252 HydrophobicContact CD2-CH2 4.37Å; F185-W252 AromaticContact CD2-CZ3 3.91Å; F185-W252 HydrophobicContact CD2-CZ3 3.91Å; F185-W252 HydrophobicContact CG-CH2 4.5Å; F185-W252 HydrophobicContact CG-CZ3 4.45Å; F185-L255 HydrophobicContact CE2-CB 4.33Å
186	E	97.8	Very high	98.3	Very high	29 Å²	29	7.9 Å²	7.9	14%	0.136	4%	0.04	C	C	.	.	H	α-helix	trans	-55.3	-45.6	172.4	-177	171.6	-144.3	0	0	110.8	L50 V182 L183 S190 V319 K323	L50-E186 HydrophobicContact CD1-CG 4.09Å; V182-E186 WeakPolarHBondContact O-CB 3.49Å; V182-E186 PolarHBondContact O-N 3.4Å; L183-E186 PolarHBondContact O-N 2.94Å; E186-S190 WeakPolarHBondContact O-CB 3.25Å; E186-S190 PolarHBondContact O-N 3.39Å; E186-S190 VanDerWaalsContact O-N 3.16Å; E186-V319 HydrophobicContact CB-CG2 4.35Å; E186-V319 HydrophobicContact CG-CG1 4.01Å; E186-V319 VanDerWaalsContact OE1-CG1 3.26Å; E186-V319 WeakPolarHBondContact OE1-CG1 3.31Å; E186-K323 IonicContact OE1-NZ 3.76Å; E186-K323 PolarHBondContact OE1-NZ 2.89Å; E186-K323 IonicContact OE2-NZ 3.57Å; E186-K323 PolarHBondContact OE2-NZ 3.33Å
187	Y	98	Very high	98.2	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.016	4%	0.039	C	C	.	.	H	α-helix	trans	-60.1	-58.7	172.9	171.8	-93.6	0	0	0	112.2	F49 A53 I129 D130 F131 L134 L183 A184 F185 H189 S190 L191	F49-Y187 HydrophobicContact CE1-CD2 4.39Å; A53-Y187 HydrophobicContact CB-CD2 4.31Å; A53-Y187 HydrophobicContact CB-CE2 3.82Å; I129-Y187 WeakPolarHBondContact CA-OH 3.38Å; I129-Y187 HydrophobicContact CB-CE1 4.12Å; I129-Y187 HydrophobicContact CG2-CE1 4.23Å; D130-Y187 PolarHBondContact N-OH 3.2Å; D130-Y187 WeakPolarHBondContact O-CE2 3.26Å; D130-Y187 PolarHBondContact O-OH 3.19Å; F131-Y187 HydrophobicContact CB-CD1 3.83Å; F131-Y187 HydrophobicContact CB-CD2 4.22Å; F131-Y187 HydrophobicContact CB-CE1 3.86Å; F131-Y187 HydrophobicContact CB-CE2 4.19Å; F131-Y187 HydrophobicContact CB-CG 4.03Å; F131-Y187 HydrophobicContact CD1-CG 4.4Å; F131-Y187 HydrophobicContact CD2-CD1 4.2Å; F131-Y187 AromaticContact CD2-CD2 3.37Å; F131-Y187 HydrophobicContact CD2-CD2 3.37Å; F131-Y187 AromaticContact CD2-CE2 3.94Å; F131-Y187 HydrophobicContact CD2-CE2 3.94Å; F131-Y187 AromaticContact CD2-CG 3.51Å; F131-Y187 HydrophobicContact CD2-CG 3.51Å; F131-Y187 AromaticContact CE2-CD2 3.96Å; F131-Y187 HydrophobicContact CE2-CD2 3.96Å; F131-Y187 HydrophobicContact CE2-CG 4.04Å; F131-Y187 AromaticContact CG-CD1 3.97Å; F131-Y187 HydrophobicContact CG-CD1 3.97Å; F131-Y187 AromaticContact CG-CD2 3.99Å; F131-Y187 HydrophobicContact CG-CD2 3.99Å; F131-Y187 HydrophobicContact CG-CE1 4.46Å; F131-Y187 HydrophobicContact CG-CE2 4.42Å; F131-Y187 AromaticContact CG-CG 3.72Å; F131-Y187 HydrophobicContact CG-CG 3.72Å; L134-Y187 HydrophobicContact CD1-CD1 3.73Å; L134-Y187 HydrophobicContact CD1-CE1 3.73Å; L183-Y187 WeakPolarHBondContact O-CB 3.48Å; L183-Y187 PolarHBondContact O-N 3.15Å; A184-Y187 WeakPolarHBondContact O-CB 3.45Å; A184-Y187 PolarHBondContact O-N 3.25Å; F185-Y187 VanDerWaalsContact C-N 3.26Å; F185-Y187 PolarHBondContact O-N 3.48Å; Y187-H189 VanDerWaalsContact C-N 3.34Å; Y187-H189 PolarHBondContact O-N 2.83Å; Y187-S190 WeakPolarHBondContact O-CB 3.48Å; Y187-S190 PolarHBondContact O-N 3.29Å; Y187-S190 VanDerWaalsContact O-N 3.09Å; Y187-S190 PolarHBondContact O-OG 3.16Å; Y187-L191 HydrophobicContact CD1-CD1 4.21Å; Y187-L191 HydrophobicContact CE1-CD1 3.55Å; Y187-L191 HydrophobicContact CE2-CD1 4.18Å
188	L	98.3	Very high	98.2	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-59.1	-44.5	-176.2	-72.4	174.9	0	0	0	112.1	I129 L134 A184 F185 S190 L191 L193 F216	I129-L188 HydrophobicContact CG2-CD2 4.16Å; L134-L188 HydrophobicContact CD1-CD1 4.5Å; L134-L188 HydrophobicContact CD1-CD2 3.79Å; L134-L188 HydrophobicContact CD1-CG 4.09Å; L134-L188 HydrophobicContact CD2-CD1 4.39Å; A184-L188 WeakPolarHBondContact O-CB 3.36Å; A184-L188 WeakPolarHBondContact O-CG 3.37Å; A184-L188 PolarHBondContact O-N 2.85Å; F185-L188 HydrophobicContact CD1-CD1 4.38Å; F185-L188 PolarHBondContact O-N 2.96Å; L188-S190 PolarHBondContact O-N 3.45Å; L188-L191 WeakPolarHBondContact O-CA 3.28Å; L188-L191 WeakPolarHBondContact O-CB 3.49Å; L188-L191 PolarHBondContact O-N 3.38Å; L188-L193 CarbonylContact C-O 3.59Å; L188-L193 HydrophobicContact CB-CB 4.15Å; L188-L193 HydrophobicContact CD2-CB 4.22Å; L188-L193 HydrophobicContact CD2-CD1 3.75Å; L188-L193 WeakPolarHBondContact O-CB 3.33Å; L188-L193 PolarHBondContact O-N 2.85Å; L188-F216 HydrophobicContact CD1-CE1 4.21Å; L188-F216 HydrophobicContact CD2-CE1 4.1Å
189	H	97.6	Very high	98.2	Very high	11 Å²	11	9 Å²	9	5%	0.051	5%	0.045	C	C	.	.	H	α-helix	trans	-67.8	-24.6	-179.1	-67.6	-174.4	0	0	0	112.4	F185 Y187 L191 D192 L193 K248 D251 W252	F185-H189 WeakPolarHBondContact O-CB 3.41Å; F185-H189 PolarHBondContact O-CD2 3.43Å; F185-H189 PolarHBondContact O-N 2.91Å; Y187-H189 VanDerWaalsContact C-N 3.34Å; Y187-H189 PolarHBondContact O-N 2.83Å; H189-L191 PolarHBondContact O-N 3.38Å; H189-D192 PolarHBondContact O-N 2.91Å; H189-L193 PolarHBondContact CD2-O 3.46Å; H189-K248 HydrophobicContact CB-CD 3.85Å; H189-K248 PolarHBondContact CE1-O 3.46Å; H189-D251 IonicContact CD2-OD2 3.29Å; H189-D251 IonicContact CE1-OD2 2.67Å; H189-D251 IonicContact NE2-OD2 3.3Å; H189-D251 PolarHBondContact NE2-OD2 3.21Å; H189-W252 AromaticContact CE1-CE2 3.64Å; H189-W252 AromaticContact CE1-CZ2 3.88Å; H189-W252 AromaticContact CE1-NE1 3.46Å; H189-W252 PolarHBondContact CE1-NE1 2.69Å; H189-W252 AromaticContact ND1-CE2 3.64Å; H189-W252 AromaticContact ND1-CZ2 3.62Å; H189-W252 AromaticContact ND1-NE1 3.39Å; H189-W252 PolarHBondContact ND1-NE1 2.65Å
190	S	96.6	Very high	98.1	Very high	19 Å²	19	9 Å²	9	13%	0.133	5%	0.045	C	C	.	.	H	α-helix	trans	-71.1	-16.7	172.6	83.6	0	0	0	0	113.3	R54 E186 Y187 L188	R54-S190 PolarHBondContact NE-O 3.29Å; E186-S190 WeakPolarHBondContact O-CB 3.25Å; E186-S190 PolarHBondContact O-N 3.39Å; E186-S190 VanDerWaalsContact O-N 3.16Å; Y187-S190 WeakPolarHBondContact O-CB 3.48Å; Y187-S190 PolarHBondContact O-N 3.29Å; Y187-S190 VanDerWaalsContact O-N 3.09Å; Y187-S190 PolarHBondContact O-OG 3.16Å; L188-S190 PolarHBondContact O-N 3.45Å
191	L	97.5	Very high	98	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.01	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	8.4	178.1	-53.7	178.3	0	0	0	112.9	R54 F57 I129 Y187 L188 H189 L193 R221	R54-L191 HydrophobicContact CB-CD2 4.02Å; R54-L191 HydrophobicContact CG-CD2 4.15Å; F57-L191 HydrophobicContact CB-CD1 4.12Å; F57-L191 HydrophobicContact CB-CD2 3.73Å; F57-L191 HydrophobicContact CB-CG 4.5Å; F57-L191 HydrophobicContact CD1-CB 4.21Å; F57-L191 HydrophobicContact CD1-CD1 4.45Å; F57-L191 HydrophobicContact CD1-CD2 4.02Å; F57-L191 HydrophobicContact CD1-CG 4.45Å; F57-L191 HydrophobicContact CD2-CD1 3.67Å; F57-L191 HydrophobicContact CD2-CG 4.5Å; F57-L191 HydrophobicContact CE1-CB 4.24Å; F57-L191 HydrophobicContact CE2-CD1 4.19Å; F57-L191 HydrophobicContact CG-CB 4.4Å; F57-L191 HydrophobicContact CG-CD1 3.82Å; F57-L191 HydrophobicContact CG-CD2 3.85Å; F57-L191 HydrophobicContact CG-CG 4.23Å; F57-L191 HydrophobicContact CZ-CB 4.46Å; I129-L191 HydrophobicContact CG2-CD1 4.38Å; Y187-L191 HydrophobicContact CD1-CD1 4.21Å; Y187-L191 HydrophobicContact CE1-CD1 3.55Å; Y187-L191 HydrophobicContact CE2-CD1 4.18Å; L188-L191 WeakPolarHBondContact O-CA 3.28Å; L188-L191 WeakPolarHBondContact O-CB 3.49Å; L188-L191 PolarHBondContact O-N 3.38Å; H189-L191 PolarHBondContact O-N 3.38Å; L191-L193 HydrophobicContact CB-CD1 4.05Å; L191-L193 HydrophobicContact CB-CG 4.09Å; L191-L193 HydrophobicContact CD1-CD1 4.16Å; L191-L193 PolarHBondContact O-N 3.2Å; L191-R221 PolarHBondContact O-NE 2.94Å
192	D	97.5	Very high	98	Very high	52 Å²	52	12.7 Å²	12.7	28%	0.278	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	22.8	-170.4	-52	-52.2	0	0	0	113.7	H189 R221 V222 K223	H189-D192 PolarHBondContact O-N 2.91Å; D192-R221 HydrophobicContact CB-CG 4.1Å; D192-R221 CarbonylContact O-C 3.5Å; D192-R221 VanDerWaalsContact O-CA 3.25Å; D192-R221 WeakPolarHBondContact O-CA 3.38Å; D192-V222 PolarHBondContact O-N 3.2Å; D192-K223 HydrophobicContact CB-CG 4.16Å; D192-K223 WeakPolarHBondContact OD2-CE 3.27Å; D192-K223 WeakPolarHBondContact OD2-CG 3.46Å
193	L	98.4	Very high	98	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.2	177.7	-63.1	170.8	0	0	0	110.8	F57 I125 I129 L188 H189 L191 K220 R221	F57-L193 HydrophobicContact CE2-CD1 3.89Å; F57-L193 HydrophobicContact CZ-CD1 4.09Å; F57-L193 HydrophobicContact CZ-CD2 4.42Å; F57-L193 HydrophobicContact CZ-CG 4.41Å; I125-L193 HydrophobicContact CD1-CD2 3.86Å; I125-L193 HydrophobicContact CG1-CD2 3.84Å; I125-L193 HydrophobicContact CG2-CD1 4.04Å; I125-L193 HydrophobicContact CG2-CD2 4.42Å; I129-L193 HydrophobicContact CG2-CD1 3.69Å; L188-L193 CarbonylContact C-O 3.59Å; L188-L193 HydrophobicContact CB-CB 4.15Å; L188-L193 HydrophobicContact CD2-CB 4.22Å; L188-L193 HydrophobicContact CD2-CD1 3.75Å; L188-L193 WeakPolarHBondContact O-CB 3.33Å; L188-L193 PolarHBondContact O-N 2.85Å; H189-L193 PolarHBondContact CD2-O 3.46Å; L191-L193 HydrophobicContact CB-CD1 4.05Å; L191-L193 HydrophobicContact CB-CG 4.09Å; L191-L193 HydrophobicContact CD1-CD1 4.16Å; L191-L193 PolarHBondContact O-N 3.2Å; L193-K220 WeakPolarHBondContact CA-O 3.44Å; L193-R221 HydrophobicContact CD2-CB 3.72Å; L193-R221 HydrophobicContact CD2-CG 4.1Å
194	I	98.2	Very high	98	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.1	169	-47.4	174.9	0	0	0	107.3	R196 A219 K220 V222 K248 V250 D251	I194-R196 HydrophobicContact CB-CG 4.04Å; I194-R196 HydrophobicContact CG2-CG 3.41Å; I194-R196 VanDerWaalsContact CG2-CG 3.41Å; I194-A219 CarbonylContact O-C 3.58Å; I194-A219 WeakPolarHBondContact O-CA 3.4Å; I194-K220 PolarHBondContact N-O 3.33Å; I194-K220 PolarHBondContact O-N 3.01Å; I194-V222 HydrophobicContact CD1-CB 4.08Å; I194-V222 HydrophobicContact CD1-CG2 4.46Å; I194-K248 HydrophobicContact CG1-CB 4.18Å; I194-V250 HydrophobicContact CG2-CG2 3.94Å; I194-D251 WeakPolarHBondContact CG2-OD2 3.16Å
195	Y	98.5	Very high	97.9	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.008	7%	0.065	C	C	.	.			trans	-83.4	-46.7	-174.3	-179.7	-115.7	0	0	0	113.3	F185 D197 L198 N202 I213 T214 D215 F216 F218 A219 D251	F185-Y195 HydrophobicContact CE1-CD1 4.04Å; F185-Y195 HydrophobicContact CE1-CG 4.24Å; F185-Y195 HydrophobicContact CZ-CD1 4.37Å; Y195-D197 VanDerWaalsContact C-N 3.29Å; Y195-D197 WeakPolarHBondContact CE1-O 3.37Å; Y195-D197 PolarHBondContact O-N 3.19Å; Y195-L198 HydrophobicContact CD1-CB 4.14Å; Y195-L198 HydrophobicContact CE1-CB 4.2Å; Y195-L198 HydrophobicContact CE1-CD1 4.47Å; Y195-N202 VanDerWaalsContact OH-CB 3.28Å; Y195-N202 WeakPolarHBondContact OH-CB 3.35Å; Y195-N202 PolarHBondContact OH-ND2 3.25Å; Y195-I213 HydrophobicContact CD2-CG2 4.35Å; Y195-I213 HydrophobicContact CE1-CG2 3.95Å; Y195-I213 HydrophobicContact CE2-CG2 3.64Å; Y195-I213 VanDerWaalsContact CZ-CG2 3.43Å; Y195-I213 WeakPolarHBondContact OH-CG2 3.33Å; Y195-T214 PolarHBondContact OH-O 3Å; Y195-D215 VanDerWaalsContact CE2-O 3.27Å; Y195-D215 WeakPolarHBondContact CE2-O 3.22Å; Y195-D215 PolarHBondContact OH-O 2.91Å; Y195-F216 HydrophobicContact CD2-CD1 4.1Å; Y195-F216 HydrophobicContact CD2-CE1 4.04Å; Y195-F216 HydrophobicContact CD2-CZ 4.46Å; Y195-F216 HydrophobicContact CE2-CD1 4.25Å; Y195-F216 HydrophobicContact CE2-CD2 4.33Å; Y195-F216 HydrophobicContact CE2-CE1 4.29Å; Y195-F216 HydrophobicContact CE2-CE2 4.38Å; Y195-F216 HydrophobicContact CE2-CG 4.29Å; Y195-F216 HydrophobicContact CE2-CZ 4.36Å; Y195-F218 CarbonylContact O-C 3.51Å; Y195-A219 HydrophobicContact CD2-CB 4.49Å; Y195-A219 PolarHBondContact O-N 2.95Å; Y195-D251 PolarHBondContact N-OD1 2.94Å; Y195-D251 PolarHBondContact N-OD2 2.74Å
196	R	98.1	Very high	97.8	Very high	14 Å²	14	13.9 Å²	13.9	5%	0.053	7%	0.069	C	C	.	.			trans	67.8	0.4	170.2	-51.5	-170.6	-68.4	167.5	3.6	118.3	I194 F218 C230 G231 Y246 V250 D251	I194-R196 HydrophobicContact CB-CG 4.04Å; I194-R196 HydrophobicContact CG2-CG 3.41Å; I194-R196 VanDerWaalsContact CG2-CG 3.41Å; R196-F218 HydrophobicContact CB-CB 4.3Å; R196-F218 PolarHBondContact NE-O 2.81Å; R196-F218 PolarHBondContact NH2-O 2.91Å; R196-C230 PolarHBondContact NH1-SG 3.35Å; R196-G231 WeakPolarHBondContact O-CA 3.32Å; R196-Y246 WeakPolarHBondContact CD-OH 3.29Å; R196-Y246 HydrophobicContact CG-CE2 4.46Å; R196-Y246 PolarHBondContact NH1-OH 3.18Å; R196-V250 HydrophobicContact CG-CG2 4.46Å; R196-D251 PolarHBondContact N-OD1 3.24Å
197	D	97.6	Very high	97.7	Very high	6 Å²	6	16 Å²	16	3%	0.032	9%	0.087	C	C	.	.			trans	-140.5	44.4	175.8	-153.5	32.9	0	0	0	113.5	Y195 K199 N202 F218 T232	Y195-D197 VanDerWaalsContact C-N 3.29Å; Y195-D197 WeakPolarHBondContact CE1-O 3.37Å; Y195-D197 PolarHBondContact O-N 3.19Å; D197-K199 PolarHBondContact O-N 2.62Å; D197-K199 IonicContact OD1-NZ 2.66Å; D197-K199 PolarHBondContact OD1-NZ 2.95Å; D197-K199 VanDerWaalsContact OD2-CE 3.24Å; D197-K199 WeakPolarHBondContact OD2-CE 3.48Å; D197-K199 IonicContact OD2-NZ 3.49Å; D197-K199 PolarHBondContact OD2-NZ 3.49Å; D197-N202 PolarHBondContact O-ND2 3.36Å; D197-N202 PolarHBondContact OD2-ND2 2.59Å; D197-F218 HydrophobicContact CB-CD2 3.83Å; D197-T232 PolarHBondContact OD1-N 3.2Å; D197-T232 PolarHBondContact OD1-OG1 3.27Å
198	L	98.8	Very high	97.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.107	C	C	.	.			trans	-68.7	124.5	173.7	-173.7	73.7	0	0	0	110.1	I181 F185 Y195 L203 Y235 A254 L255 L258	I181-L198 HydrophobicContact CD1-CD1 4.16Å; I181-L198 HydrophobicContact CG2-CD1 3.96Å; I181-L198 HydrophobicContact CG2-CD2 3.93Å; F185-L198 HydrophobicContact CE2-CD2 3.9Å; F185-L198 HydrophobicContact CZ-CB 4.04Å; F185-L198 HydrophobicContact CZ-CD1 4.04Å; F185-L198 HydrophobicContact CZ-CD2 3.77Å; F185-L198 HydrophobicContact CZ-CG 4.17Å; Y195-L198 HydrophobicContact CD1-CB 4.14Å; Y195-L198 HydrophobicContact CE1-CB 4.2Å; Y195-L198 HydrophobicContact CE1-CD1 4.47Å; L198-L203 HydrophobicContact CD1-CD1 4.38Å; L198-L203 HydrophobicContact CD1-CD2 4.06Å; L198-Y235 WeakPolarHBondContact O-CD1 3.33Å; L198-Y235 WeakPolarHBondContact O-CE1 3.15Å; L198-A254 HydrophobicContact CB-CB 3.97Å; L198-A254 HydrophobicContact CD2-CB 4.23Å; L198-L255 HydrophobicContact CD2-CB 4.37Å; L198-L258 HydrophobicContact CD1-CD2 4.11Å; L198-L258 HydrophobicContact CD2-CB 4.04Å; L198-L258 HydrophobicContact CD2-CD2 3.83Å; L198-L258 HydrophobicContact CG-CD2 4.05Å
199	K	98	Very high	97.5	Very high	32 Å²	32	19 Å²	19	14%	0.139	11%	0.106	C	C	.	.	S	Bend	trans	-167	158.7	174.2	60.3	-176.3	162.9	-163.6	0	109.6	D197 E201 N202 L203 T232 Y235	D197-K199 PolarHBondContact O-N 2.62Å; D197-K199 IonicContact OD1-NZ 2.66Å; D197-K199 PolarHBondContact OD1-NZ 2.95Å; D197-K199 VanDerWaalsContact OD2-CE 3.24Å; D197-K199 WeakPolarHBondContact OD2-CE 3.48Å; D197-K199 IonicContact OD2-NZ 3.49Å; D197-K199 PolarHBondContact OD2-NZ 3.49Å; K199-E201 VanDerWaalsContact CB-OE2 3.25Å; K199-E201 WeakPolarHBondContact CB-OE2 3.4Å; K199-E201 HydrophobicContact CD-CB 4.14Å; K199-E201 WeakPolarHBondContact CD-OE2 3.47Å; K199-E201 HydrophobicContact CG-CB 4.13Å; K199-E201 VanDerWaalsContact CG-OE2 3.28Å; K199-E201 WeakPolarHBondContact CG-OE2 3.38Å; K199-E201 PolarHBondContact O-N 3.31Å; K199-E201 VanDerWaalsContact O-N 3.12Å; K199-N202 VanDerWaalsContact CE-CG 3.48Å; K199-N202 VanDerWaalsContact CE-ND2 3.25Å; K199-N202 WeakPolarHBondContact CE-ND2 3.27Å; K199-N202 WeakPolarHBondContact CE-OD1 3.21Å; K199-N202 HydrophobicContact CG-CB 4.22Å; K199-N202 PolarHBondContact O-N 3.15Å; K199-L203 WeakPolarHBondContact O-CG 3.35Å; K199-T232 HydrophobicContact CD-CG2 4.19Å; K199-T232 WeakPolarHBondContact CD-OG1 3.3Å; K199-T232 PolarHBondContact NZ-OG1 3.18Å; K199-Y235 HydrophobicContact CB-CD2 4.03Å; K199-Y235 HydrophobicContact CB-CE1 4.46Å; K199-Y235 HydrophobicContact CB-CE2 3.86Å; K199-Y235 HydrophobicContact CB-CG 4.46Å
200	P	98.1	Very high	97.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-55	-28.6	-179.3	-27.6	34.7	0	0	0	114.7	M159 F160 L163 N202 L203 Y235 L258	M159-P200 HydrophobicContact CB-CB 4.42Å; M159-P200 HydrophobicContact CG-CB 4.21Å; M159-P200 HydrophobicContact SD-CB 4.42Å; F160-P200 HydrophobicContact CB-CB 3.87Å; F160-P200 HydrophobicContact CD2-CB 4.28Å; F160-P200 PolarHBondContact N-O 2.87Å; L163-P200 HydrophobicContact CD2-CG 4.33Å; P200-N202 VanDerWaalsContact C-N 3.32Å; P200-L203 PolarHBondContact O-N 2.91Å; P200-Y235 WeakPolarHBondContact CD-OH 3.47Å; P200-L258 HydrophobicContact CG-CD1 3.82Å
201	E	96.4	Very high	97.7	Very high	64 Å²	64	17.8 Å²	17.8	30%	0.299	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-67.4	-32.2	178.7	-60.6	88.5	152.7	0	0	111.8	F160 K199 L203	F160-E201 HydrophobicContact CB-CG 3.97Å; F160-E201 HydrophobicContact CD2-CG 3.86Å; F160-E201 WeakPolarHBondContact CD2-OE1 3.46Å; F160-E201 HydrophobicContact CG-CG 3.9Å; K199-E201 VanDerWaalsContact CB-OE2 3.25Å; K199-E201 WeakPolarHBondContact CB-OE2 3.4Å; K199-E201 HydrophobicContact CD-CB 4.14Å; K199-E201 WeakPolarHBondContact CD-OE2 3.47Å; K199-E201 HydrophobicContact CG-CB 4.13Å; K199-E201 VanDerWaalsContact CG-OE2 3.28Å; K199-E201 WeakPolarHBondContact CG-OE2 3.38Å; K199-E201 PolarHBondContact O-N 3.31Å; K199-E201 VanDerWaalsContact O-N 3.12Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.86Å
202	N	97.9	Very high	97.7	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.064	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-91.6	9.9	179.2	-70.1	-6	0	0	0	113.1	Y195 D197 K199 P200 T214	Y195-N202 VanDerWaalsContact OH-CB 3.28Å; Y195-N202 WeakPolarHBondContact OH-CB 3.35Å; Y195-N202 PolarHBondContact OH-ND2 3.25Å; D197-N202 PolarHBondContact O-ND2 3.36Å; D197-N202 PolarHBondContact OD2-ND2 2.59Å; K199-N202 VanDerWaalsContact CE-CG 3.48Å; K199-N202 VanDerWaalsContact CE-ND2 3.25Å; K199-N202 WeakPolarHBondContact CE-ND2 3.27Å; K199-N202 WeakPolarHBondContact CE-OD1 3.21Å; K199-N202 HydrophobicContact CG-CB 4.22Å; K199-N202 PolarHBondContact O-N 3.15Å; P200-N202 VanDerWaalsContact C-N 3.32Å; N202-T214 WeakPolarHBondContact O-CG2 3.45Å; N202-T214 PolarHBondContact O-N 3.28Å
203	L	98.5	Very high	97.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	109.5	179	-59.8	-179.7	0	0	0	109.5	M159 I181 L198 K199 P200 E201 L211 I213 L258	M159-L203 HydrophobicContact CB-CB 3.99Å; M159-L203 WeakPolarHBondContact CB-O 3.11Å; M159-L203 HydrophobicContact CE-CB 4.5Å; M159-L203 HydrophobicContact CE-CD1 4.07Å; M159-L203 PolarHBondContact N-O 3Å; M159-L203 HydrophobicContact SD-CB 4.45Å; M159-L203 HydrophobicContact SD-CD1 3.79Å; I181-L203 HydrophobicContact CD1-CD1 4.08Å; I181-L203 HydrophobicContact CD1-CD2 3.58Å; I181-L203 HydrophobicContact CD1-CG 4.5Å; L198-L203 HydrophobicContact CD1-CD1 4.38Å; L198-L203 HydrophobicContact CD1-CD2 4.06Å; K199-L203 WeakPolarHBondContact O-CG 3.35Å; P200-L203 PolarHBondContact O-N 2.91Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.86Å; L203-L211 HydrophobicContact CD1-CD1 4.48Å; L203-I213 HydrophobicContact CD2-CB 4.33Å; L203-I213 HydrophobicContact CD2-CD1 4.49Å; L203-I213 HydrophobicContact CD2-CG1 3.7Å; L203-I213 HydrophobicContact CD2-CG2 4.49Å; L203-L258 HydrophobicContact CD1-CD1 4Å; L203-L258 HydrophobicContact CD1-CD2 3.64Å; L203-L258 HydrophobicContact CD1-CG 4.47Å
204	L	98.1	Very high	97.7	Very high	21 Å²	21	17.1 Å²	17.1	11%	0.11	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	147.7	173.7	-58.2	177.4	0	0	0	110.2	I154 G157 E158 L211 K212 T214	I154-L204 HydrophobicContact CB-CB 3.92Å; I154-L204 HydrophobicContact CB-CD1 3.87Å; I154-L204 HydrophobicContact CG1-CB 4.45Å; I154-L204 HydrophobicContact CG1-CD1 4.15Å; I154-L204 HydrophobicContact CG2-CB 3.58Å; I154-L204 HydrophobicContact CG2-CD1 4.48Å; G157-L204 WeakPolarHBondContact O-CA 3.49Å; E158-L204 HydrophobicContact CB-CD2 4.43Å; E158-L204 HydrophobicContact CG-CD2 3.73Å; L204-L211 CarbonylContact O-C 3.38Å; L204-L211 VanDerWaalsContact O-CA 3.3Å; L204-L211 WeakPolarHBondContact O-CA 3.28Å; L204-K212 HydrophobicContact CB-CB 4.41Å; L204-K212 PolarHBondContact N-O 3.26Å; L204-K212 PolarHBondContact O-N 2.88Å; L204-T214 HydrophobicContact CD1-CG2 4.09Å; L204-T214 HydrophobicContact CG-CG2 4.01Å
205	I	98	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.8	173.6	-58.9	177.5	0	0	0	108.3	I154 G156 G157 M159 Y210 L211 F345 P347	I154-I205 VanDerWaalsContact CG2-O 3.29Å; I154-I205 WeakPolarHBondContact CG2-O 3.37Å; G156-I205 CarbonylContact C-O 3.59Å; G156-I205 WeakPolarHBondContact CA-O 3.43Å; G156-I205 PolarHBondContact N-O 2.88Å; G156-I205 VanDerWaalsContact N-O 3.1Å; G157-I205 PolarHBondContact O-N 3.49Å; M159-I205 HydrophobicContact CB-CD1 4.49Å; I205-Y210 CarbonylContact C-O 3.45Å; I205-Y210 WeakPolarHBondContact CA-O 3.37Å; I205-L211 HydrophobicContact CG1-CD2 3.92Å; I205-F345 HydrophobicContact CD1-CD1 4.08Å; I205-F345 HydrophobicContact CD1-CE1 4.18Å; I205-P347 HydrophobicContact CG2-CG 4.03Å
206	D	96.3	Very high	97.5	Very high	15 Å²	15	19.6 Å²	19.6	8%	0.08	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-78.2	172.4	175.6	74.2	24.4	0	0	0	112.3	I154 T208 G209 Y210 K339 P347	I154-D206 HydrophobicContact CG2-CB 4Å; D206-T208 VanDerWaalsContact CG-OG1 3.31Å; D206-T208 PolarHBondContact O-N 3.22Å; D206-T208 VanDerWaalsContact O-N 3.1Å; D206-T208 VanDerWaalsContact OD1-CA 3.28Å; D206-T208 WeakPolarHBondContact OD1-CA 3.41Å; D206-T208 WeakPolarHBondContact OD1-CB 3.39Å; D206-T208 PolarHBondContact OD1-N 2.83Å; D206-T208 PolarHBondContact OD1-OG1 3.33Å; D206-T208 PolarHBondContact OD2-OG1 2.71Å; D206-G209 PolarHBondContact O-N 3.25Å; D206-G209 PolarHBondContact OD1-N 3.43Å; D206-G209 VanDerWaalsContact OD1-N 3.11Å; D206-Y210 PolarHBondContact N-O 2.76Å; D206-Y210 PolarHBondContact OD1-N 2.74Å; D206-K339 IonicContact OD2-NZ 3.88Å; D206-K339 PolarHBondContact OD2-NZ 2.95Å; D206-P347 WeakPolarHBondContact O-CD 3.35Å; D206-P347 VanDerWaalsContact O-CG 3.25Å; D206-P347 WeakPolarHBondContact O-CG 3.32Å
207	S	95	Very high	97.3	Very high	72 Å²	72	19.5 Å²	19.5	50%	0.503	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15	-179.6	55.3	0	0	0	0	114
208	T	95.9	Very high	97.2	Very high	70 Å²	70	22.2 Å²	22.2	43%	0.429	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	0.8	174.7	69.5	0	0	0	0	112.6	D206 Y210 A343 L346	D206-T208 VanDerWaalsContact CG-OG1 3.31Å; D206-T208 PolarHBondContact O-N 3.22Å; D206-T208 VanDerWaalsContact O-N 3.1Å; D206-T208 VanDerWaalsContact OD1-CA 3.28Å; D206-T208 WeakPolarHBondContact OD1-CA 3.41Å; D206-T208 WeakPolarHBondContact OD1-CB 3.39Å; D206-T208 PolarHBondContact OD1-N 2.83Å; D206-T208 PolarHBondContact OD1-OG1 3.33Å; D206-T208 PolarHBondContact OD2-OG1 2.71Å; T208-Y210 VanDerWaalsContact C-N 3.32Å; T208-A343 VanDerWaalsContact O-CB 3.24Å; T208-A343 WeakPolarHBondContact O-CB 3.15Å; T208-L346 VanDerWaalsContact C-CD2 3.45Å; T208-L346 WeakPolarHBondContact O-CD2 3.44Å
209	G	97.5	Very high	97.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	82.8	4.3	-179.7	0	0	0	0	0	114.5	Y177 D206 F345	Y177-G209 WeakPolarHBondContact CE1-O 3.49Å; D206-G209 PolarHBondContact O-N 3.25Å; D206-G209 PolarHBondContact OD1-N 3.43Å; D206-G209 VanDerWaalsContact OD1-N 3.11Å; G209-F345 VanDerWaalsContact CA-O 3.28Å; G209-F345 WeakPolarHBondContact CA-O 3.17Å
210	Y	98.5	Very high	97	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.02	13%	0.128	C	C	.	.			trans	-88.2	159.3	177.1	-82.3	-96.3	0	0	0	111.7	F133 F176 Q180 I205 D206 T208 K339 K340 I341	F133-Y210 HydrophobicContact CD1-CD1 4.34Å; F133-Y210 AromaticContact CE1-CD1 3.62Å; F133-Y210 HydrophobicContact CE1-CD1 3.62Å; F133-Y210 HydrophobicContact CE1-CE1 4.15Å; F133-Y210 HydrophobicContact CZ-CD1 4.39Å; F176-Y210 HydrophobicContact CE2-CD1 4.49Å; F176-Y210 AromaticContact CE2-CE1 3.85Å; F176-Y210 HydrophobicContact CE2-CE1 3.85Å; F176-Y210 HydrophobicContact CE2-CE2 4.31Å; F176-Y210 AromaticContact CE2-CZ 3.73Å; F176-Y210 AromaticContact CZ-CD1 3.88Å; F176-Y210 HydrophobicContact CZ-CD1 3.88Å; F176-Y210 HydrophobicContact CZ-CD2 4.08Å; F176-Y210 AromaticContact CZ-CE1 3.65Å; F176-Y210 HydrophobicContact CZ-CE1 3.65Å; F176-Y210 AromaticContact CZ-CE2 3.87Å; F176-Y210 HydrophobicContact CZ-CE2 3.87Å; F176-Y210 HydrophobicContact CZ-CG 4.09Å; F176-Y210 AromaticContact CZ-CZ 3.64Å; Q180-Y210 HydrophobicContact CG-CD1 4.28Å; Q180-Y210 VanDerWaalsContact OE1-CD1 3.28Å; I205-Y210 CarbonylContact C-O 3.45Å; I205-Y210 WeakPolarHBondContact CA-O 3.37Å; D206-Y210 PolarHBondContact N-O 2.76Å; D206-Y210 PolarHBondContact OD1-N 2.74Å; T208-Y210 VanDerWaalsContact C-N 3.32Å; Y210-K339 HydrophobicContact CD1-CD 4.27Å; Y210-K339 HydrophobicContact CD1-CG 3.88Å; Y210-K339 HydrophobicContact CD2-CB 4.25Å; Y210-K339 HydrophobicContact CD2-CD 4.16Å; Y210-K339 HydrophobicContact CD2-CG 4.2Å; Y210-K339 HydrophobicContact CE1-CB 4.16Å; Y210-K339 HydrophobicContact CE1-CG 3.91Å; Y210-K339 HydrophobicContact CE2-CB 3.87Å; Y210-K339 HydrophobicContact CE2-CG 4.23Å; Y210-K339 HydrophobicContact CG-CD 3.97Å; Y210-K339 HydrophobicContact CG-CG 4.03Å; Y210-K339 VanDerWaalsContact CZ-CA 3.45Å; Y210-K339 VanDerWaalsContact OH-C 3.27Å; Y210-K339 VanDerWaalsContact OH-CA 3.27Å; Y210-K339 WeakPolarHBondContact OH-CA 3.47Å; Y210-K340 PolarHBondContact OH-N 3.14Å; Y210-I341 PolarHBondContact OH-N 3.3Å; Y210-I341 PolarHBondContact OH-O 2.81Å
211	L	98.6	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	151.6	-178.4	-60.9	-179.7	0	0	0	113.1	F133 M159 Y177 Q180 I181 L203 L204 I205	F133-L211 WeakPolarHBondContact CA-O 3.3Å; M159-L211 HydrophobicContact CE-CD1 3.9Å; M159-L211 HydrophobicContact CE-CD2 3.43Å; M159-L211 VanDerWaalsContact CE-CD2 3.43Å; M159-L211 HydrophobicContact CE-CG 4.29Å; Y177-L211 HydrophobicContact CD1-CD1 3.79Å; Y177-L211 HydrophobicContact CD1-CD2 3.63Å; Y177-L211 HydrophobicContact CD1-CG 3.58Å; Y177-L211 HydrophobicContact CE1-CD2 3.84Å; Y177-L211 HydrophobicContact CE1-CG 4.15Å; Y177-L211 HydrophobicContact CG-CD1 4.1Å; Y177-L211 HydrophobicContact CG-CD2 4.33Å; Y177-L211 HydrophobicContact CG-CG 4.36Å; Q180-L211 HydrophobicContact CB-CD1 4.33Å; I181-L211 HydrophobicContact CD1-CD1 3.86Å; I181-L211 HydrophobicContact CG1-CD1 4.22Å; L203-L211 HydrophobicContact CD1-CD1 4.48Å; L204-L211 CarbonylContact O-C 3.38Å; L204-L211 VanDerWaalsContact O-CA 3.3Å; L204-L211 WeakPolarHBondContact O-CA 3.28Å; I205-L211 HydrophobicContact CG1-CD2 3.92Å
212	K	98.5	Very high	96.8	Very high	10 Å²	10	25 Å²	25	4%	0.043	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	111.3	164.7	-72.7	-72.6	-162.1	169.2	0	108.5	P132 F133 L134 E152 I154 L204 T214	P132-K212 WeakPolarHBondContact O-CE 3.33Å; P132-K212 PolarHBondContact O-NZ 2.85Å; P132-K212 VanDerWaalsContact O-NZ 3.14Å; F133-K212 CarbonylContact O-C 3.59Å; F133-K212 WeakPolarHBondContact O-CA 3.35Å; L134-K212 VanDerWaalsContact O-CD 3.29Å; L134-K212 WeakPolarHBondContact O-CD 3.17Å; L134-K212 PolarHBondContact O-NZ 3.45Å; E152-K212 WeakPolarHBondContact OE1-CE 3.29Å; E152-K212 IonicContact OE1-NZ 2.87Å; E152-K212 PolarHBondContact OE1-NZ 2.93Å; E152-K212 WeakPolarHBondContact OE2-CE 3.33Å; E152-K212 IonicContact OE2-NZ 2.76Å; E152-K212 PolarHBondContact OE2-NZ 3Å; I154-K212 HydrophobicContact CD1-CB 4.25Å; I154-K212 HydrophobicContact CD1-CD 4.37Å; I154-K212 HydrophobicContact CD1-CG 3.68Å; I154-K212 HydrophobicContact CG1-CB 3.94Å; I154-K212 HydrophobicContact CG1-CG 3.95Å; I154-K212 HydrophobicContact CG2-CB 4.42Å; I154-K212 HydrophobicContact CG2-CG 4.45Å; L204-K212 HydrophobicContact CB-CB 4.41Å; L204-K212 PolarHBondContact N-O 3.26Å; L204-K212 PolarHBondContact O-N 2.88Å; K212-T214 PolarHBondContact O-N 3.04Å
213	I	98.7	Very high	96.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.5	170.6	-54	-175.4	0	0	0	107.8	F133 L134 V135 I181 A184 Y195 L203 F216	F133-I213 PolarHBondContact O-N 3Å; L134-I213 HydrophobicContact CD2-CB 3.76Å; L134-I213 HydrophobicContact CD2-CD1 3.75Å; L134-I213 HydrophobicContact CD2-CG1 3.97Å; L134-I213 HydrophobicContact CD2-CG2 4.49Å; V135-I213 WeakPolarHBondContact CB-O 3.36Å; V135-I213 WeakPolarHBondContact CG1-O 3.49Å; V135-I213 PolarHBondContact N-O 3.49Å; I181-I213 HydrophobicContact CD1-CD1 3.8Å; I181-I213 HydrophobicContact CD1-CG1 3.98Å; A184-I213 HydrophobicContact CB-CD1 3.61Å; Y195-I213 HydrophobicContact CD2-CG2 4.35Å; Y195-I213 HydrophobicContact CE1-CG2 3.95Å; Y195-I213 HydrophobicContact CE2-CG2 3.64Å; Y195-I213 VanDerWaalsContact CZ-CG2 3.43Å; Y195-I213 WeakPolarHBondContact OH-CG2 3.33Å; L203-I213 HydrophobicContact CD2-CB 4.33Å; L203-I213 HydrophobicContact CD2-CD1 4.49Å; L203-I213 HydrophobicContact CD2-CG1 3.7Å; L203-I213 HydrophobicContact CD2-CG2 4.49Å; I213-F216 HydrophobicContact CG2-CE2 4.38Å; I213-F216 HydrophobicContact CG2-CZ 4.43Å
214	T	97.3	Very high	96.2	Very high	32 Å²	32	34.9 Å²	34.9	20%	0.196	19%	0.19	C	C	.	.			trans	-117.3	-176.9	176	-169	0	0	0	0	110.6	Y195 N202 L204 K212	Y195-T214 PolarHBondContact OH-O 3Å; N202-T214 WeakPolarHBondContact O-CG2 3.45Å; N202-T214 PolarHBondContact O-N 3.28Å; L204-T214 HydrophobicContact CD1-CG2 4.09Å; L204-T214 HydrophobicContact CG-CG2 4.01Å; K212-T214 PolarHBondContact O-N 3.04Å
215	D	94.6	Very high	96	Very high	56 Å²	56	41.5 Å²	41.5	30%	0.299	21%	0.213	S	C	.	.			trans	52.7	91.5	177.9	-160.2	-4.4	0	0	0	114.9	K103 Y195 G217	K103-D215 IonicContact NZ-OD1 2.83Å; Y195-D215 VanDerWaalsContact CE2-O 3.27Å; Y195-D215 WeakPolarHBondContact CE2-O 3.22Å; Y195-D215 PolarHBondContact OH-O 2.91Å; D215-G217 PolarHBondContact OD1-N 2.73Å
216	F	97	Very high	95.9	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.216	C	C	.	.			trans	-101.3	18.9	179.3	-77.1	-106.8	0	0	0	111.6	E122 I125 L126 I129 L134 V135 L188 Y195 I213 F218 A219	E122-F216 HydrophobicContact CG-CB 4.03Å; E122-F216 PolarHBondContact OE1-N 3.1Å; I125-F216 HydrophobicContact CG2-CD1 3.74Å; I125-F216 HydrophobicContact CG2-CE1 4.27Å; I125-F216 HydrophobicContact CG2-CG 4.48Å; L126-F216 HydrophobicContact CD2-CB 4.35Å; L126-F216 HydrophobicContact CD2-CD2 3.56Å; L126-F216 HydrophobicContact CD2-CE2 4.01Å; L126-F216 HydrophobicContact CD2-CG 4.04Å; L126-F216 HydrophobicContact CG-CB 4.24Å; L126-F216 HydrophobicContact CG-CD2 4.36Å; L126-F216 HydrophobicContact CG-CG 4.43Å; I129-F216 HydrophobicContact CD1-CD1 4.31Å; I129-F216 HydrophobicContact CD1-CE1 3.66Å; I129-F216 HydrophobicContact CD1-CE2 4.08Å; I129-F216 HydrophobicContact CD1-CZ 3.51Å; L134-F216 HydrophobicContact CB-CZ 4.45Å; L134-F216 HydrophobicContact CD1-CZ 4.38Å; L134-F216 HydrophobicContact CD2-CZ 4.07Å; V135-F216 HydrophobicContact CG1-CE2 4.38Å; L188-F216 HydrophobicContact CD1-CE1 4.21Å; L188-F216 HydrophobicContact CD2-CE1 4.1Å; Y195-F216 HydrophobicContact CD2-CD1 4.1Å; Y195-F216 HydrophobicContact CD2-CE1 4.04Å; Y195-F216 HydrophobicContact CD2-CZ 4.46Å; Y195-F216 HydrophobicContact CE2-CD1 4.25Å; Y195-F216 HydrophobicContact CE2-CD2 4.33Å; Y195-F216 HydrophobicContact CE2-CE1 4.29Å; Y195-F216 HydrophobicContact CE2-CE2 4.38Å; Y195-F216 HydrophobicContact CE2-CG 4.29Å; Y195-F216 HydrophobicContact CE2-CZ 4.36Å; I213-F216 HydrophobicContact CG2-CE2 4.38Å; I213-F216 HydrophobicContact CG2-CZ 4.43Å; F216-F218 PolarHBondContact O-N 2.86Å; F216-F218 VanDerWaalsContact O-N 3.16Å; F216-A219 HydrophobicContact CB-CB 3.96Å; F216-A219 HydrophobicContact CD1-CB 3.6Å; F216-A219 HydrophobicContact CG-CB 4.22Å; F216-A219 WeakPolarHBondContact O-CB 3.37Å; F216-A219 PolarHBondContact O-N 2.75Å
217	G	94.2	Very high	95.9	Very high	12 Å²	12	49.6 Å²	49.6	12%	0.124	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.6	-178.7	0	0	0	0	0	114	E122 D215	E122-G217 PolarHBondContact OE1-N 3.48Å; D215-G217 PolarHBondContact OD1-N 2.73Å
218	F	95.2	Very high	95.8	Very high	63 Å²	63	48.7 Å²	48.7	28%	0.276	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-0.2	174.3	-59.4	-41.6	0	0	0	114	Y195 R196 D197 F216 C230	Y195-F218 CarbonylContact O-C 3.51Å; R196-F218 HydrophobicContact CB-CB 4.3Å; R196-F218 PolarHBondContact NE-O 2.81Å; R196-F218 PolarHBondContact NH2-O 2.91Å; D197-F218 HydrophobicContact CB-CD2 3.83Å; F216-F218 PolarHBondContact O-N 2.86Å; F216-F218 VanDerWaalsContact O-N 3.16Å; F218-C230 HydrophobicContact CD1-CB 4.02Å; F218-C230 HydrophobicContact CE1-CB 4.27Å; F218-C230 HydrophobicContact CG-CB 4.17Å
219	A	97.4	Very high	95.7	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	24%	0.244	C	C	.	.			trans	-63.5	149.2	176.7	0	0	0	0	0	110.3	N121 I125 I194 Y195 F216	N121-A219 PolarHBondContact ND2-O 2.81Å; I125-A219 HydrophobicContact CD1-CB 3.6Å; I194-A219 CarbonylContact O-C 3.58Å; I194-A219 WeakPolarHBondContact O-CA 3.4Å; Y195-A219 HydrophobicContact CD2-CB 4.49Å; Y195-A219 PolarHBondContact O-N 2.95Å; F216-A219 HydrophobicContact CB-CB 3.96Å; F216-A219 HydrophobicContact CD1-CB 3.6Å; F216-A219 HydrophobicContact CG-CB 4.22Å; F216-A219 WeakPolarHBondContact O-CB 3.37Å; F216-A219 PolarHBondContact O-N 2.75Å
220	K	95.9	Very high	95.6	Very high	50 Å²	50	51.4 Å²	51.4	22%	0.217	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	139.6	177.7	-167.5	170.8	-179.8	141.9	0	111.9	E117 L193 I194 V222	E117-K220 IonicContact OE1-NZ 2.92Å; E117-K220 PolarHBondContact OE1-NZ 2.93Å; L193-K220 WeakPolarHBondContact CA-O 3.44Å; I194-K220 PolarHBondContact N-O 3.33Å; I194-K220 PolarHBondContact O-N 3.01Å; K220-V222 HydrophobicContact CB-CG2 4.06Å; K220-V222 HydrophobicContact CD-CG2 3.87Å; K220-V222 HydrophobicContact CG-CG2 3.63Å; K220-V222 PolarHBondContact O-N 3.02Å
221	R	96.3	Very high	95.3	Very high	79 Å²	79	52.3 Å²	52.3	30%	0.298	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	111.8	171.6	-161.7	176.1	178.5	-165.4	-3.4	110.7	W61 L191 D192 L193	W61-R221 HydrophobicContact CH2-CB 4.24Å; W61-R221 HydrophobicContact CZ2-CB 4.31Å; W61-R221 VanDerWaalsContact NE1-NH1 3.13Å; L191-R221 PolarHBondContact O-NE 2.94Å; D192-R221 HydrophobicContact CB-CG 4.1Å; D192-R221 CarbonylContact O-C 3.5Å; D192-R221 VanDerWaalsContact O-CA 3.25Å; D192-R221 WeakPolarHBondContact O-CA 3.38Å; L193-R221 HydrophobicContact CD2-CB 3.72Å; L193-R221 HydrophobicContact CD2-CG 4.1Å
222	V	94.1	Very high	95.1	Very high	24 Å²	24	53.6 Å²	53.6	15%	0.145	27%	0.266	C	S	.	.			trans	-144.6	119	-175.3	-174.5	0	0	0	0	110.4	D192 I194 K220	D192-V222 PolarHBondContact O-N 3.2Å; I194-V222 HydrophobicContact CD1-CB 4.08Å; I194-V222 HydrophobicContact CD1-CG2 4.46Å; K220-V222 HydrophobicContact CB-CG2 4.06Å; K220-V222 HydrophobicContact CD-CG2 3.87Å; K220-V222 HydrophobicContact CG-CG2 3.63Å; K220-V222 PolarHBondContact O-N 3.02Å
223	K	89.4	Confident	95.1	Very high	177 Å²	177	54.7 Å²	54.7	77%	0.77	28%	0.275	S	S	*	.	S	Bend	trans	-79.4	-27.5	172.2	-73	-176.9	175.8	-176.2	0	113.8	D192	D192-K223 HydrophobicContact CB-CG 4.16Å; D192-K223 WeakPolarHBondContact OD2-CE 3.27Å; D192-K223 WeakPolarHBondContact OD2-CG 3.46Å
224	G	93.2	Very high	95	Very high	44 Å²	44	57.3 Å²	57.3	45%	0.454	29%	0.287	S	S	.	.	S	Bend	trans	-112.5	-120.7	-174.9	0	0	0	0	0	112.6
225	R	95.2	Very high	95.1	Very high	159 Å²	159	56.5 Å²	56.5	60%	0.6	28%	0.28	S	S	*	.			trans	-112.8	156.3	178.4	-69.5	179.2	177	-167.6	2.9	111.7	W227 G245 Y246	R225-W227 HydrophobicContact CB-CH2 3.81Å; R225-W227 HydrophobicContact CB-CZ2 4.23Å; R225-W227 HydrophobicContact CB-CZ3 4.11Å; R225-W227 VanDerWaalsContact O-CZ3 3.26Å; R225-W227 WeakPolarHBondContact O-CZ3 3.29Å; R225-G245 WeakPolarHBondContact CD-O 3.27Å; R225-Y246 CarbonylContact C-O 3.47Å; R225-Y246 WeakPolarHBondContact CA-O 3.12Å
226	T	95.5	Very high	95.3	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.067	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-132.9	166	168.7	-165.7	0	0	0	0	110.3	G245 Y246	T226-G245 CarbonylContact O-C 3.57Å; T226-G245 VanDerWaalsContact O-CA 3.28Å; T226-G245 WeakPolarHBondContact O-CA 3.44Å; T226-Y246 HydrophobicContact CG2-CD2 3.9Å; T226-Y246 HydrophobicContact CG2-CE1 4.03Å; T226-Y246 HydrophobicContact CG2-CE2 3.31Å; T226-Y246 HydrophobicContact CG2-CG 4.47Å; T226-Y246 PolarHBondContact N-O 2.96Å; T226-Y246 VanDerWaalsContact O-CD1 3.27Å; T226-Y246 WeakPolarHBondContact O-CD1 3.46Å; T226-Y246 PolarHBondContact O-N 3.4Å
227	W	96.5	Very high	95.3	Very high	174 Å²	174	54.1 Å²	54.1	66%	0.659	27%	0.268	S	S	*	.			trans	-129.7	-5.6	-170.2	-72.2	-100.5	0	0	0	114.1	R225 L229	R225-W227 HydrophobicContact CB-CH2 3.81Å; R225-W227 HydrophobicContact CB-CZ2 4.23Å; R225-W227 HydrophobicContact CB-CZ3 4.11Å; R225-W227 VanDerWaalsContact O-CZ3 3.26Å; R225-W227 WeakPolarHBondContact O-CZ3 3.29Å; W227-L229 PolarHBondContact O-N 3.01Å
228	T	93.3	Very high	95.5	Very high	53 Å²	53	53.6 Å²	53.6	33%	0.325	26%	0.262	S	S	.	.			trans	-62.3	122.2	-176.9	-50.1	0	0	0	0	110.5	C230 Y246	T228-C230 HydrophobicContact CG2-CB 4.24Å; T228-C230 PolarHBondContact O-N 2.93Å; T228-Y246 WeakPolarHBondContact O-CE1 3.49Å; T228-Y246 PolarHBondContact O-OH 3.44Å
229	L	94	Very high	95.6	Very high	116 Å²	116	51 Å²	51	61%	0.607	25%	0.251	S	S	*	.			trans	-71.9	105.1	168.6	-175.7	73.7	0	0	0	108.3	W227 I240	W227-L229 PolarHBondContact O-N 3.01Å; L229-I240 HydrophobicContact CD1-CG2 3.7Å
230	C	93.5	Very high	95.7	Very high	12 Å²	12	51.4 Å²	51.4	8%	0.081	25%	0.253	C	S	.	.			trans	-153.7	163.1	-179.3	59.1	0	0	0	0	110.1	R196 F218 T228 L236	R196-C230 PolarHBondContact NH1-SG 3.35Å; F218-C230 HydrophobicContact CD1-CB 4.02Å; F218-C230 HydrophobicContact CE1-CB 4.27Å; F218-C230 HydrophobicContact CG-CB 4.17Å; T228-C230 HydrophobicContact CG2-CB 4.24Å; T228-C230 PolarHBondContact O-N 2.93Å; C230-L236 WeakPolarHBondContact O-CD2 3.32Å
231	G	93.4	Very high	95.7	Very high	24 Å²	24	50.6 Å²	50.6	25%	0.247	25%	0.25	C	S	.	.	S	Bend	trans	108.4	-178.4	-173.1	0	0	0	0	0	112.2	R196	R196-G231 WeakPolarHBondContact O-CA 3.32Å
232	T	94.8	Very high	95.7	Very high	26 Å²	26	50.6 Å²	50.6	16%	0.16	26%	0.256	C	S	.	.			trans	-97.2	134.9	-176.3	-57.3	0	0	0	0	110.5	D197 K199 E234 Y235 L236	D197-T232 PolarHBondContact OD1-N 3.2Å; D197-T232 PolarHBondContact OD1-OG1 3.27Å; K199-T232 HydrophobicContact CD-CG2 4.19Å; K199-T232 WeakPolarHBondContact CD-OG1 3.3Å; K199-T232 PolarHBondContact NZ-OG1 3.18Å; T232-E234 VanDerWaalsContact C-N 3.33Å; T232-E234 PolarHBondContact O-N 3.49Å; T232-E234 VanDerWaalsContact O-N 3.13Å; T232-Y235 PolarHBondContact O-N 2.91Å; T232-L236 WeakPolarHBondContact O-CG 3.44Å; T232-L236 PolarHBondContact O-N 3.42Å
233	P	97.2	Very high	95.8	Very high	34 Å²	34	53.8 Å²	53.8	22%	0.221	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-48.7	-45	-167.4	-32.2	37.3	0	0	0	116	Y235 L236 P274 I277 Y278 I281	P233-Y235 PolarHBondContact O-N 3.16Å; P233-L236 PolarHBondContact O-N 3.01Å; P233-P274 HydrophobicContact CB-CB 4.44Å; P233-P274 HydrophobicContact CG-CB 4.43Å; P233-I277 HydrophobicContact CB-CD1 4.27Å; P233-Y278 HydrophobicContact CB-CE1 3.85Å; P233-I281 WeakPolarHBondContact O-CD1 3.38Å
234	E	97.8	Very high	95.9	Very high	55 Å²	55	51.7 Å²	51.7	26%	0.257	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-66.1	-24.6	-178.4	-66.1	82.5	173	0	0	113	T232 V257 P267 I277	T232-E234 VanDerWaalsContact C-N 3.33Å; T232-E234 PolarHBondContact O-N 3.49Å; T232-E234 VanDerWaalsContact O-N 3.13Å; E234-V257 WeakPolarHBondContact O-CG1 3.47Å; E234-P267 HydrophobicContact CB-CB 4.32Å; E234-P267 HydrophobicContact CG-CB 4.48Å; E234-P267 HydrophobicContact CG-CG 4.16Å; E234-I277 HydrophobicContact CG-CD1 4.21Å
235	Y	98.5	Very high	95.9	Very high	14 Å²	14	50 Å²	50	6%	0.055	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-102.1	-7.5	-174.1	-76.7	-94.5	0	0	0	113.5	L198 K199 P200 T232 P233 A237 A254 V257 L258 E261	L198-Y235 WeakPolarHBondContact O-CD1 3.33Å; L198-Y235 WeakPolarHBondContact O-CE1 3.15Å; K199-Y235 HydrophobicContact CB-CD2 4.03Å; K199-Y235 HydrophobicContact CB-CE1 4.46Å; K199-Y235 HydrophobicContact CB-CE2 3.86Å; K199-Y235 HydrophobicContact CB-CG 4.46Å; P200-Y235 WeakPolarHBondContact CD-OH 3.47Å; T232-Y235 PolarHBondContact O-N 2.91Å; P233-Y235 PolarHBondContact O-N 3.16Å; Y235-A237 PolarHBondContact O-N 2.87Å; Y235-A254 HydrophobicContact CD1-CB 4.17Å; Y235-V257 HydrophobicContact CD1-CB 3.66Å; Y235-V257 HydrophobicContact CD1-CG1 3.54Å; Y235-V257 HydrophobicContact CD2-CG1 4.11Å; Y235-V257 HydrophobicContact CE1-CB 3.73Å; Y235-V257 HydrophobicContact CE1-CG1 3.46Å; Y235-V257 VanDerWaalsContact CE1-CG1 3.46Å; Y235-V257 HydrophobicContact CE2-CG1 3.99Å; Y235-V257 HydrophobicContact CG-CB 4.36Å; Y235-V257 HydrophobicContact CG-CG1 3.88Å; Y235-L258 HydrophobicContact CE1-CB 4.03Å; Y235-E261 PolarHBondContact OH-OE2 3.36Å
236	L	98.2	Very high	96.1	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	23%	0.226	C	C	.	.			trans	-64.2	133.7	-179.4	-65.8	-174.1	0	0	0	111.7	C230 T232 P233 I240 I241 W253 Y278	C230-L236 WeakPolarHBondContact O-CD2 3.32Å; T232-L236 WeakPolarHBondContact O-CG 3.44Å; T232-L236 PolarHBondContact O-N 3.42Å; P233-L236 PolarHBondContact O-N 3.01Å; L236-I240 HydrophobicContact CD2-CD1 4.35Å; L236-I240 HydrophobicContact CD2-CG2 4.1Å; L236-I241 HydrophobicContact CB-CD1 4.06Å; L236-I241 HydrophobicContact CB-CG1 3.97Å; L236-I241 HydrophobicContact CD1-CG1 4.18Å; L236-W253 PolarHBondContact O-NE1 3.31Å; L236-W253 VanDerWaalsContact O-NE1 3.16Å; L236-Y278 HydrophobicContact CD1-CE1 3.81Å
237	A	98.3	Very high	96.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	23%	0.233	C	C	.	.			trans	-73.8	150.1	171.3	0	0	0	0	0	111.1	Y235 E239 I240 I241 V250 W253	Y235-A237 PolarHBondContact O-N 2.87Å; A237-E239 HydrophobicContact CB-CG 4.35Å; A237-E239 PolarHBondContact O-N 2.73Å; A237-E239 VanDerWaalsContact O-N 3.16Å; A237-I240 HydrophobicContact CB-CD1 4.39Å; A237-I240 HydrophobicContact CB-CG1 4.45Å; A237-I240 WeakPolarHBondContact O-CB 3.49Å; A237-I240 PolarHBondContact O-N 3.43Å; A237-I241 PolarHBondContact O-N 2.99Å; A237-V250 HydrophobicContact CB-CB 3.98Å; A237-V250 HydrophobicContact CB-CG1 3.83Å; A237-W253 HydrophobicContact CB-CB 4.01Å; A237-W253 HydrophobicContact CB-CD2 4.35Å; A237-W253 HydrophobicContact CB-CG 3.85Å
238	P	98.3	Very high	96.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-54.4	-37.6	-178.9	-24.7	31.1	0	0	0	113.7	I240 I241 L242 W253 I281 V306	P238-I240 VanDerWaalsContact C-N 3.33Å; P238-I240 PolarHBondContact O-N 3.37Å; P238-I241 PolarHBondContact O-N 3.43Å; P238-L242 WeakPolarHBondContact O-CB 3.33Å; P238-L242 VanDerWaalsContact O-CG 3.23Å; P238-L242 WeakPolarHBondContact O-CG 3.26Å; P238-L242 PolarHBondContact O-N 3.47Å; P238-W253 HydrophobicContact CG-CE3 4.22Å; P238-W253 HydrophobicContact CG-CH2 3.55Å; P238-W253 HydrophobicContact CG-CZ2 3.99Å; P238-W253 HydrophobicContact CG-CZ3 3.66Å; P238-I281 HydrophobicContact CB-CG2 4.31Å; P238-I281 HydrophobicContact CG-CG2 3.78Å; P238-V306 HydrophobicContact CB-CG1 4.21Å; P238-V306 HydrophobicContact CG-CG1 4.32Å; P238-V306 HydrophobicContact CG-CG2 4.08Å
239	E	98	Very high	96.4	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-29.2	179	62.3	-88.2	-155.3	0	0	113.8	A237 S243 K244 V250 L308 R311	A237-E239 HydrophobicContact CB-CG 4.35Å; A237-E239 PolarHBondContact O-N 2.73Å; A237-E239 VanDerWaalsContact O-N 3.16Å; E239-S243 PolarHBondContact O-N 2.7Å; E239-K244 HydrophobicContact CB-CB 4.19Å; E239-K244 PolarHBondContact O-N 3Å; E239-K244 VanDerWaalsContact O-O 3.12Å; E239-V250 HydrophobicContact CG-CG1 4.14Å; E239-V250 WeakPolarHBondContact OE1-CG1 3.47Å; E239-L308 WeakPolarHBondContact OE1-CD2 3.47Å; E239-R311 IonicContact OE1-CZ 3.64Å; E239-R311 IonicContact OE1-NH1 3.49Å; E239-R311 PolarHBondContact OE1-NH1 2.75Å; E239-R311 IonicContact OE1-NH2 2.88Å; E239-R311 IonicContact OE2-CZ 2.94Å; E239-R311 IonicContact OE2-NH1 3.52Å; E239-R311 PolarHBondContact OE2-NH1 2.74Å; E239-R311 IonicContact OE2-NH2 3.52Å; E239-R311 PolarHBondContact OE2-NH2 2.84Å
240	I	97.7	Very high	96.6	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.046	18%	0.177	C	C	.	.	H	α-helix	trans	-68.4	-49.4	173.5	-65.1	175.4	0	0	0	109.3	L229 L236 A237 P238 L242 S243 Y246 V250	L229-I240 HydrophobicContact CD1-CG2 3.7Å; L236-I240 HydrophobicContact CD2-CD1 4.35Å; L236-I240 HydrophobicContact CD2-CG2 4.1Å; A237-I240 HydrophobicContact CB-CD1 4.39Å; A237-I240 HydrophobicContact CB-CG1 4.45Å; A237-I240 WeakPolarHBondContact O-CB 3.49Å; A237-I240 PolarHBondContact O-N 3.43Å; P238-I240 VanDerWaalsContact C-N 3.33Å; P238-I240 PolarHBondContact O-N 3.37Å; I240-L242 VanDerWaalsContact C-N 3.31Å; I240-L242 PolarHBondContact O-N 2.89Å; I240-S243 PolarHBondContact O-N 3.24Å; I240-Y246 HydrophobicContact CD1-CD2 4.44Å; I240-Y246 HydrophobicContact CD1-CE2 4.34Å; I240-Y246 HydrophobicContact CG1-CD1 3.7Å; I240-Y246 HydrophobicContact CG1-CD2 4.17Å; I240-Y246 HydrophobicContact CG1-CE1 3.89Å; I240-Y246 HydrophobicContact CG1-CE2 4.35Å; I240-Y246 HydrophobicContact CG1-CG 3.84Å; I240-V250 HydrophobicContact CD1-CB 3.86Å; I240-V250 HydrophobicContact CD1-CG1 3.73Å; I240-V250 HydrophobicContact CD1-CG2 4.26Å; I240-V250 HydrophobicContact CG1-CG1 3.83Å
241	I	97.3	Very high	96.9	Very high	33 Å²	33	31.7 Å²	31.7	17%	0.169	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-44.8	179.1	-65.8	162.4	0	0	0	110.7	L236 A237 P238 S243 Y278 I281 V282	L236-I241 HydrophobicContact CB-CD1 4.06Å; L236-I241 HydrophobicContact CB-CG1 3.97Å; L236-I241 HydrophobicContact CD1-CG1 4.18Å; A237-I241 PolarHBondContact O-N 2.99Å; P238-I241 PolarHBondContact O-N 3.43Å; I241-S243 PolarHBondContact O-N 2.89Å; I241-Y278 HydrophobicContact CD1-CD1 3.87Å; I241-Y278 HydrophobicContact CD1-CG 4.29Å; I241-Y278 HydrophobicContact CG1-CD1 4.02Å; I241-Y278 HydrophobicContact CG1-CG 4.3Å; I241-Y278 HydrophobicContact CG2-CG 4.18Å; I241-I281 HydrophobicContact CD1-CB 3.84Å; I241-I281 HydrophobicContact CD1-CD1 3.83Å; I241-I281 HydrophobicContact CD1-CG1 4.44Å; I241-I281 HydrophobicContact CD1-CG2 3.53Å; I241-V282 HydrophobicContact CB-CG2 4.35Å; I241-V282 HydrophobicContact CG2-CG2 3.85Å
242	L	96.4	Very high	97.2	Very high	80 Å²	80	30.8 Å²	30.8	42%	0.419	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	4.5	178.9	-64.2	174.4	0	0	0	113.4	P238 I240 K244 V282	P238-L242 WeakPolarHBondContact O-CB 3.33Å; P238-L242 VanDerWaalsContact O-CG 3.23Å; P238-L242 WeakPolarHBondContact O-CG 3.26Å; P238-L242 PolarHBondContact O-N 3.47Å; I240-L242 VanDerWaalsContact C-N 3.31Å; I240-L242 PolarHBondContact O-N 2.89Å; L242-K244 HydrophobicContact CB-CD 4.28Å; L242-K244 HydrophobicContact CB-CG 4.11Å; L242-K244 PolarHBondContact O-N 3.16Å; L242-K244 VanDerWaalsContact O-N 3.08Å; L242-V282 HydrophobicContact CD1-CG1 4.29Å; L242-V282 HydrophobicContact CD2-CG1 4.15Å; L242-V282 HydrophobicContact CD2-CG2 4.16Å; L242-V282 HydrophobicContact CG-CG2 4.15Å
243	S	94.7	Very high	97.3	Very high	91 Å²	91	29.5 Å²	29.5	64%	0.636	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	30.4	-180	-59.3	0	0	0	0	113.5	E239 I240 I241	E239-S243 PolarHBondContact O-N 2.7Å; I240-S243 PolarHBondContact O-N 3.24Å; I241-S243 PolarHBondContact O-N 2.89Å
244	K	92	Very high	97.4	Very high	132 Å²	132	28.2 Å²	28.2	57%	0.574	15%	0.146	S	C	*	.			trans	-87.2	109.7	172.6	-65.4	-179	-178.4	178.6	0	106.2	E239 L242 Y246	E239-K244 HydrophobicContact CB-CB 4.19Å; E239-K244 PolarHBondContact O-N 3Å; E239-K244 VanDerWaalsContact O-O 3.12Å; L242-K244 HydrophobicContact CB-CD 4.28Å; L242-K244 HydrophobicContact CB-CG 4.11Å; L242-K244 PolarHBondContact O-N 3.16Å; L242-K244 VanDerWaalsContact O-N 3.08Å; K244-Y246 PolarHBondContact O-N 3.21Å
245	G	94.4	Very high	97.5	Very high	9 Å²	9	25.6 Å²	25.6	9%	0.093	13%	0.134	C	C	.	.			trans	-41.3	129.2	-177.9	0	0	0	0	0	112.2	R225 T226	R225-G245 WeakPolarHBondContact CD-O 3.27Å; T226-G245 CarbonylContact O-C 3.57Å; T226-G245 VanDerWaalsContact O-CA 3.28Å; T226-G245 WeakPolarHBondContact O-CA 3.44Å
246	Y	97.6	Very high	97.5	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.027	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-120.9	165.8	-162	62.8	-93.6	0	0	0	111.9	R196 R225 T226 T228 I240 K244 V250	R196-Y246 WeakPolarHBondContact CD-OH 3.29Å; R196-Y246 HydrophobicContact CG-CE2 4.46Å; R196-Y246 PolarHBondContact NH1-OH 3.18Å; R225-Y246 CarbonylContact C-O 3.47Å; R225-Y246 WeakPolarHBondContact CA-O 3.12Å; T226-Y246 HydrophobicContact CG2-CD2 3.9Å; T226-Y246 HydrophobicContact CG2-CE1 4.03Å; T226-Y246 HydrophobicContact CG2-CE2 3.31Å; T226-Y246 HydrophobicContact CG2-CG 4.47Å; T226-Y246 PolarHBondContact N-O 2.96Å; T226-Y246 VanDerWaalsContact O-CD1 3.27Å; T226-Y246 WeakPolarHBondContact O-CD1 3.46Å; T226-Y246 PolarHBondContact O-N 3.4Å; T228-Y246 WeakPolarHBondContact O-CE1 3.49Å; T228-Y246 PolarHBondContact O-OH 3.44Å; I240-Y246 HydrophobicContact CD1-CD2 4.44Å; I240-Y246 HydrophobicContact CD1-CE2 4.34Å; I240-Y246 HydrophobicContact CG1-CD1 3.7Å; I240-Y246 HydrophobicContact CG1-CD2 4.17Å; I240-Y246 HydrophobicContact CG1-CE1 3.89Å; I240-Y246 HydrophobicContact CG1-CE2 4.35Å; I240-Y246 HydrophobicContact CG1-CG 3.84Å; K244-Y246 PolarHBondContact O-N 3.21Å; Y246-V250 HydrophobicContact CD2-CB 4.47Å; Y246-V250 HydrophobicContact CD2-CG1 3.63Å; Y246-V250 HydrophobicContact CD2-CG2 4.02Å; Y246-V250 HydrophobicContact CE2-CG1 4.5Å; Y246-V250 HydrophobicContact CE2-CG2 4.28Å; Y246-V250 HydrophobicContact CG-CG1 3.94Å
247	N	97	Very high	97.5	Very high	41 Å²	41	24.6 Å²	24.6	22%	0.219	13%	0.129	C	C	.	.			trans	-130.3	-164.6	-179	70.1	2	0	0	0	110.3	A249 V250 N314	N247-A249 PolarHBondContact O-N 3.37Å; N247-A249 WeakPolarHBondContact OD1-CB 3.17Å; N247-A249 PolarHBondContact OD1-N 3.21Å; N247-V250 WeakPolarHBondContact O-CG2 3.31Å; N247-V250 PolarHBondContact O-N 3.34Å; N247-N314 PolarHBondContact ND2-OD1 3.45Å
248	K	97.8	Very high	97.6	Very high	87 Å²	87	24.5 Å²	24.5	38%	0.378	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-12.2	178	65.6	-179.3	177	-178.9	0	116.4	H189 I194 V250 D251	H189-K248 HydrophobicContact CB-CD 3.85Å; H189-K248 PolarHBondContact CE1-O 3.46Å; I194-K248 HydrophobicContact CG1-CB 4.18Å; K248-V250 PolarHBondContact O-N 3.31Å; K248-D251 PolarHBondContact O-N 3Å
249	A	98.2	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.3	-17.6	176.7	0	0	0	0	0	114	N247 D251 W252 W253 L308 R311 N314	N247-A249 PolarHBondContact O-N 3.37Å; N247-A249 WeakPolarHBondContact OD1-CB 3.17Å; N247-A249 PolarHBondContact OD1-N 3.21Å; A249-D251 VanDerWaalsContact C-N 3.34Å; A249-W252 PolarHBondContact O-N 2.89Å; A249-W253 PolarHBondContact O-N 2.7Å; A249-L308 HydrophobicContact CB-CD2 4.13Å; A249-R311 PolarHBondContact O-NH1 2.8Å; A249-N314 HydrophobicContact CB-CB 3.81Å
250	V	98.5	Very high	97.6	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-69.3	-33.6	175.6	-56	0	0	0	0	111.8	I194 R196 A237 E239 I240 Y246 N247 K248 W252 W253 A254	I194-V250 HydrophobicContact CG2-CG2 3.94Å; R196-V250 HydrophobicContact CG-CG2 4.46Å; A237-V250 HydrophobicContact CB-CB 3.98Å; A237-V250 HydrophobicContact CB-CG1 3.83Å; E239-V250 HydrophobicContact CG-CG1 4.14Å; E239-V250 WeakPolarHBondContact OE1-CG1 3.47Å; I240-V250 HydrophobicContact CD1-CB 3.86Å; I240-V250 HydrophobicContact CD1-CG1 3.73Å; I240-V250 HydrophobicContact CD1-CG2 4.26Å; I240-V250 HydrophobicContact CG1-CG1 3.83Å; Y246-V250 HydrophobicContact CD2-CB 4.47Å; Y246-V250 HydrophobicContact CD2-CG1 3.63Å; Y246-V250 HydrophobicContact CD2-CG2 4.02Å; Y246-V250 HydrophobicContact CE2-CG1 4.5Å; Y246-V250 HydrophobicContact CE2-CG2 4.28Å; Y246-V250 HydrophobicContact CG-CG1 3.94Å; N247-V250 WeakPolarHBondContact O-CG2 3.31Å; N247-V250 PolarHBondContact O-N 3.34Å; K248-V250 PolarHBondContact O-N 3.31Å; V250-W252 VanDerWaalsContact C-N 3.35Å; V250-W253 WeakPolarHBondContact O-CB 3.26Å; V250-W253 PolarHBondContact O-N 3.48Å; V250-A254 PolarHBondContact O-N 3.01Å
251	D	98.8	Very high	97.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-67	-39.2	176.3	-72.2	-18.4	0	0	0	110.3	F185 H189 I194 Y195 R196 K248 A249 W253 A254 L255	F185-D251 HydrophobicContact CD2-CB 3.93Å; F185-D251 HydrophobicContact CE1-CB 4.34Å; F185-D251 HydrophobicContact CE2-CB 3.63Å; F185-D251 VanDerWaalsContact CE2-O 3.26Å; F185-D251 WeakPolarHBondContact CE2-O 3.46Å; F185-D251 HydrophobicContact CG-CB 4.41Å; F185-D251 HydrophobicContact CZ-CB 3.83Å; H189-D251 IonicContact CD2-OD2 3.29Å; H189-D251 IonicContact CE1-OD2 2.67Å; H189-D251 IonicContact NE2-OD2 3.3Å; H189-D251 PolarHBondContact NE2-OD2 3.21Å; I194-D251 WeakPolarHBondContact CG2-OD2 3.16Å; Y195-D251 PolarHBondContact N-OD1 2.94Å; Y195-D251 PolarHBondContact N-OD2 2.74Å; R196-D251 PolarHBondContact N-OD1 3.24Å; K248-D251 PolarHBondContact O-N 3Å; A249-D251 VanDerWaalsContact C-N 3.34Å; D251-W253 PolarHBondContact O-N 3.34Å; D251-A254 PolarHBondContact O-N 3.12Å; D251-L255 PolarHBondContact O-N 2.85Å
252	W	98.9	Very high	97.7	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-68.5	-33	176	-60.9	122.7	0	0	0	113.2	V182 F185 H189 A249 V250 L255 G256 L303 V319 I322	V182-W252 HydrophobicContact CG1-CZ3 4.49Å; V182-W252 HydrophobicContact CG2-CZ3 4.29Å; F185-W252 HydrophobicContact CB-CH2 3.53Å; F185-W252 HydrophobicContact CB-CZ2 3.99Å; F185-W252 HydrophobicContact CB-CZ3 3.9Å; F185-W252 HydrophobicContact CD2-CE3 4.03Å; F185-W252 HydrophobicContact CD2-CH2 4.37Å; F185-W252 AromaticContact CD2-CZ3 3.91Å; F185-W252 HydrophobicContact CD2-CZ3 3.91Å; F185-W252 HydrophobicContact CG-CH2 4.5Å; F185-W252 HydrophobicContact CG-CZ3 4.45Å; H189-W252 AromaticContact CE1-CE2 3.64Å; H189-W252 AromaticContact CE1-CZ2 3.88Å; H189-W252 AromaticContact CE1-NE1 3.46Å; H189-W252 PolarHBondContact CE1-NE1 2.69Å; H189-W252 AromaticContact ND1-CE2 3.64Å; H189-W252 AromaticContact ND1-CZ2 3.62Å; H189-W252 AromaticContact ND1-NE1 3.39Å; H189-W252 PolarHBondContact ND1-NE1 2.65Å; A249-W252 PolarHBondContact O-N 2.89Å; V250-W252 VanDerWaalsContact C-N 3.35Å; W252-L255 HydrophobicContact CE3-CD2 3.71Å; W252-L255 HydrophobicContact CZ3-CD2 3.86Å; W252-L255 PolarHBondContact O-N 2.88Å; W252-G256 PolarHBondContact O-N 2.88Å; W252-L303 HydrophobicContact CB-CD2 4.37Å; W252-V319 HydrophobicContact CH2-CB 4.25Å; W252-V319 HydrophobicContact CH2-CG2 3.51Å; W252-V319 HydrophobicContact CZ2-CB 4.11Å; W252-V319 HydrophobicContact CZ2-CG2 3.89Å; W252-V319 HydrophobicContact CZ3-CG2 4.3Å; W252-I322 HydrophobicContact CD2-CD1 3.62Å; W252-I322 HydrophobicContact CE3-CD1 3.25Å; W252-I322 HydrophobicContact CG-CD1 4.23Å; W252-I322 HydrophobicContact CH2-CD1 4.27Å; W252-I322 HydrophobicContact CZ3-CD1 3.61Å
253	W	98.8	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-50	168.2	172.2	-82	0	0	0	110.8	L236 A237 P238 A249 V250 D251 L255 G256 V257 F269 I281 L304 V306	L236-W253 PolarHBondContact O-NE1 3.31Å; L236-W253 VanDerWaalsContact O-NE1 3.16Å; A237-W253 HydrophobicContact CB-CB 4.01Å; A237-W253 HydrophobicContact CB-CD2 4.35Å; A237-W253 HydrophobicContact CB-CG 3.85Å; P238-W253 HydrophobicContact CG-CE3 4.22Å; P238-W253 HydrophobicContact CG-CH2 3.55Å; P238-W253 HydrophobicContact CG-CZ2 3.99Å; P238-W253 HydrophobicContact CG-CZ3 3.66Å; A249-W253 PolarHBondContact O-N 2.7Å; V250-W253 WeakPolarHBondContact O-CB 3.26Å; V250-W253 PolarHBondContact O-N 3.48Å; D251-W253 PolarHBondContact O-N 3.34Å; W253-L255 PolarHBondContact O-N 2.92Å; W253-G256 WeakPolarHBondContact O-CA 3.32Å; W253-G256 PolarHBondContact O-N 3.23Å; W253-V257 PolarHBondContact O-N 2.76Å; W253-F269 HydrophobicContact CH2-CE2 4.2Å; W253-F269 HydrophobicContact CH2-CZ 4.24Å; W253-F269 HydrophobicContact CZ2-CD2 4.49Å; W253-F269 AromaticContact CZ2-CE2 3.58Å; W253-F269 HydrophobicContact CZ2-CE2 3.58Å; W253-F269 HydrophobicContact CZ2-CZ 4.06Å; W253-I281 HydrophobicContact CH2-CG2 4.35Å; W253-I281 HydrophobicContact CZ2-CG2 3.79Å; W253-L304 HydrophobicContact CD2-CD2 4.05Å; W253-L304 HydrophobicContact CE3-CD2 4.41Å; W253-L304 HydrophobicContact CG-CD2 4.46Å; W253-L304 HydrophobicContact CH2-CB 4.37Å; W253-L304 HydrophobicContact CZ2-CD2 4.21Å; W253-L304 HydrophobicContact CZ3-CB 4.24Å; W253-L304 WeakPolarHBondContact CZ3-O 3.29Å; W253-V306 HydrophobicContact CZ3-CG2 4.42Å
254	A	98.9	Very high	98	Very high	6 Å²	6	15.1 Å²	15.1	5%	0.05	7%	0.073	C	C	.	.	H	α-helix	trans	-60.5	-34.5	179.4	0	0	0	0	0	112	L198 Y235 V250 D251 G256 V257 L258	L198-A254 HydrophobicContact CB-CB 3.97Å; L198-A254 HydrophobicContact CD2-CB 4.23Å; Y235-A254 HydrophobicContact CD1-CB 4.17Å; V250-A254 PolarHBondContact O-N 3.01Å; D251-A254 PolarHBondContact O-N 3.12Å; A254-G256 VanDerWaalsContact C-N 3.31Å; A254-G256 PolarHBondContact O-N 2.9Å; A254-V257 WeakPolarHBondContact O-CB 3.39Å; A254-V257 PolarHBondContact O-N 2.84Å; A254-L258 WeakPolarHBondContact O-CB 3.5Å; A254-L258 PolarHBondContact O-N 2.92Å
255	L	98.9	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.9	-42.2	170.1	175.2	65.5	0	0	0	111.6	I181 V182 F185 L198 D251 W252 W253 V257 L258 I259 L303 I322	I181-L255 HydrophobicContact CB-CD1 4.01Å; I181-L255 HydrophobicContact CG2-CD1 3.83Å; V182-L255 HydrophobicContact CG2-CD2 3.55Å; F185-L255 HydrophobicContact CE2-CB 4.33Å; L198-L255 HydrophobicContact CD2-CB 4.37Å; D251-L255 PolarHBondContact O-N 2.85Å; W252-L255 HydrophobicContact CE3-CD2 3.71Å; W252-L255 HydrophobicContact CZ3-CD2 3.86Å; W252-L255 PolarHBondContact O-N 2.88Å; W253-L255 PolarHBondContact O-N 2.92Å; L255-V257 VanDerWaalsContact C-N 3.33Å; L255-V257 PolarHBondContact O-N 3.45Å; L255-L258 PolarHBondContact O-N 3.3Å; L255-I259 HydrophobicContact CD1-CD1 3.85Å; L255-I259 HydrophobicContact CD1-CG1 4.02Å; L255-I259 HydrophobicContact CD2-CD1 4.41Å; L255-I259 HydrophobicContact CG-CD1 3.8Å; L255-I259 HydrophobicContact CG-CG1 4.36Å; L255-I259 WeakPolarHBondContact O-CB 3.33Å; L255-I259 VanDerWaalsContact O-CG1 3.25Å; L255-I259 WeakPolarHBondContact O-CG1 3.4Å; L255-I259 PolarHBondContact O-N 2.97Å; L255-L303 HydrophobicContact CD2-CD1 4.31Å; L255-L303 HydrophobicContact CG-CD1 4.27Å; L255-I322 HydrophobicContact CD2-CG2 4.48Å
256	G	98.9	Very high	98.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.5	-42.3	174	0	0	0	0	0	112.5	W252 W253 A254 Y260 L300	W252-G256 PolarHBondContact O-N 2.88Å; W253-G256 WeakPolarHBondContact O-CA 3.32Å; W253-G256 PolarHBondContact O-N 3.23Å; A254-G256 VanDerWaalsContact C-N 3.31Å; A254-G256 PolarHBondContact O-N 2.9Å; G256-Y260 WeakPolarHBondContact O-CB 3.44Å; G256-Y260 PolarHBondContact O-N 2.77Å; G256-L300 WeakPolarHBondContact O-CD2 3.28Å
257	V	98.9	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.8	-47	176.2	-179.1	0	0	0	0	110.2	E234 Y235 W253 A254 L255 Y260 E261 P268 L304	E234-V257 WeakPolarHBondContact O-CG1 3.47Å; Y235-V257 HydrophobicContact CD1-CB 3.66Å; Y235-V257 HydrophobicContact CD1-CG1 3.54Å; Y235-V257 HydrophobicContact CD2-CG1 4.11Å; Y235-V257 HydrophobicContact CE1-CB 3.73Å; Y235-V257 HydrophobicContact CE1-CG1 3.46Å; Y235-V257 VanDerWaalsContact CE1-CG1 3.46Å; Y235-V257 HydrophobicContact CE2-CG1 3.99Å; Y235-V257 HydrophobicContact CG-CB 4.36Å; Y235-V257 HydrophobicContact CG-CG1 3.88Å; W253-V257 PolarHBondContact O-N 2.76Å; A254-V257 WeakPolarHBondContact O-CB 3.39Å; A254-V257 PolarHBondContact O-N 2.84Å; L255-V257 VanDerWaalsContact C-N 3.33Å; L255-V257 PolarHBondContact O-N 3.45Å; V257-Y260 PolarHBondContact O-N 3.45Å; V257-E261 WeakPolarHBondContact O-CB 3.35Å; V257-E261 PolarHBondContact O-N 2.82Å; V257-P268 HydrophobicContact CB-CG 4.38Å; V257-P268 HydrophobicContact CG1-CG 4.07Å; V257-P268 HydrophobicContact CG2-CG 4.25Å; V257-L304 HydrophobicContact CG2-CD2 3.65Å
258	L	98.9	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.3	-47.6	179.5	-176.8	68.8	0	0	0	112.1	M159 I181 L198 P200 L203 Y235 A254 L255 Y260 E261 M262	M159-L258 HydrophobicContact SD-CD1 4.42Å; I181-L258 HydrophobicContact CG1-CD2 3.95Å; L198-L258 HydrophobicContact CD1-CD2 4.11Å; L198-L258 HydrophobicContact CD2-CB 4.04Å; L198-L258 HydrophobicContact CD2-CD2 3.83Å; L198-L258 HydrophobicContact CG-CD2 4.05Å; P200-L258 HydrophobicContact CG-CD1 3.82Å; L203-L258 HydrophobicContact CD1-CD1 4Å; L203-L258 HydrophobicContact CD1-CD2 3.64Å; L203-L258 HydrophobicContact CD1-CG 4.47Å; Y235-L258 HydrophobicContact CE1-CB 4.03Å; A254-L258 WeakPolarHBondContact O-CB 3.5Å; A254-L258 PolarHBondContact O-N 2.92Å; L255-L258 PolarHBondContact O-N 3.3Å; L258-Y260 VanDerWaalsContact C-N 3.32Å; L258-Y260 PolarHBondContact O-N 2.67Å; L258-E261 PolarHBondContact O-N 2.8Å; L258-M262 HydrophobicContact CD1-CG 4.43Å; L258-M262 HydrophobicContact CD2-CE 4.4Å; L258-M262 HydrophobicContact CG-CE 4.04Å; L258-M262 HydrophobicContact CG-CG 4.48Å; L258-M262 HydrophobicContact CG-SD 4.4Å; L258-M262 WeakPolarHBondContact O-CB 3.06Å; L258-M262 WeakPolarHBondContact O-CG 3.47Å; L258-M262 PolarHBondContact O-N 3.38Å
259	I	98.9	Very high	98.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.2	-43.9	178.8	-68.8	170.2	0	0	0	110.4	A178 L255 M262 A263 L296 L299 L300 L303 W327	A178-I259 HydrophobicContact CB-CD1 3.83Å; A178-I259 HydrophobicContact CB-CG1 3.67Å; L255-I259 HydrophobicContact CD1-CD1 3.85Å; L255-I259 HydrophobicContact CD1-CG1 4.02Å; L255-I259 HydrophobicContact CD2-CD1 4.41Å; L255-I259 HydrophobicContact CG-CD1 3.8Å; L255-I259 HydrophobicContact CG-CG1 4.36Å; L255-I259 WeakPolarHBondContact O-CB 3.33Å; L255-I259 VanDerWaalsContact O-CG1 3.25Å; L255-I259 WeakPolarHBondContact O-CG1 3.4Å; L255-I259 PolarHBondContact O-N 2.97Å; I259-M262 HydrophobicContact CG1-CE 4.32Å; I259-A263 WeakPolarHBondContact O-CB 3.43Å; I259-A263 PolarHBondContact O-N 3.13Å; I259-A263 VanDerWaalsContact O-N 3.12Å; I259-L296 HydrophobicContact CG2-CD1 3.54Å; I259-L299 HydrophobicContact CD1-CD2 4.15Å; I259-L300 HydrophobicContact CB-CD2 3.95Å; I259-L300 HydrophobicContact CG2-CD2 3.87Å; I259-L303 HydrophobicContact CD1-CD1 4.02Å; I259-W327 HydrophobicContact CD1-CZ3 4.35Å; I259-W327 HydrophobicContact CG2-CH2 3.9Å; I259-W327 HydrophobicContact CG2-CZ2 4.36Å; I259-W327 HydrophobicContact CG2-CZ3 4.31Å
260	Y	98.9	Very high	98.5	Very high	7 Å²	7	13.3 Å²	13.3	3%	0.027	7%	0.065	C	C	.	.	H	α-helix	trans	-59	-51.2	175.4	-176.1	-67.9	0	0	0	110.1	G256 V257 L258 M262 A263 A264 Y266 P268 V286 K287 F288 F292 L300	G256-Y260 WeakPolarHBondContact O-CB 3.44Å; G256-Y260 PolarHBondContact O-N 2.77Å; V257-Y260 PolarHBondContact O-N 3.45Å; L258-Y260 VanDerWaalsContact C-N 3.32Å; L258-Y260 PolarHBondContact O-N 2.67Å; Y260-M262 PolarHBondContact O-N 3Å; Y260-A263 PolarHBondContact O-N 3.38Å; Y260-A264 HydrophobicContact CD1-CB 3.83Å; Y260-A264 HydrophobicContact CE1-CB 3.55Å; Y260-A264 VanDerWaalsContact O-CB 3.23Å; Y260-A264 WeakPolarHBondContact O-CB 3.48Å; Y260-A264 PolarHBondContact O-N 2.68Å; Y260-Y266 VanDerWaalsContact CD1-O 3.26Å; Y260-Y266 WeakPolarHBondContact CD1-O 3.49Å; Y260-Y266 HydrophobicContact CE1-CD2 4.06Å; Y260-Y266 AromaticContact CE1-CE2 3.84Å; Y260-Y266 HydrophobicContact CE1-CE2 3.84Å; Y260-Y266 VanDerWaalsContact CE1-O 3.28Å; Y260-Y266 WeakPolarHBondContact CE1-O 3.45Å; Y260-P268 HydrophobicContact CD1-CB 3.9Å; Y260-P268 HydrophobicContact CD1-CG 4.23Å; Y260-P268 HydrophobicContact CD2-CB 3.75Å; Y260-P268 HydrophobicContact CD2-CG 4.44Å; Y260-P268 HydrophobicContact CE1-CB 4.07Å; Y260-P268 HydrophobicContact CE2-CB 3.89Å; Y260-P268 HydrophobicContact CG-CB 3.77Å; Y260-P268 HydrophobicContact CG-CG 4.06Å; Y260-V286 HydrophobicContact CD2-CG1 4.24Å; Y260-V286 HydrophobicContact CE2-CG1 3.88Å; Y260-K287 WeakPolarHBondContact CE2-O 3.38Å; Y260-K287 PolarHBondContact OH-O 3.39Å; Y260-F288 HydrophobicContact CD2-CD1 4.2Å; Y260-F288 HydrophobicContact CD2-CE1 4.25Å; Y260-F288 AromaticContact CE2-CD1 3.93Å; Y260-F288 HydrophobicContact CE2-CD1 3.93Å; Y260-F288 HydrophobicContact CE2-CE1 4.3Å; Y260-F292 AromaticContact CD2-CE2 3.95Å; Y260-F292 HydrophobicContact CD2-CE2 3.95Å; Y260-F292 HydrophobicContact CE2-CE2 4.18Å; Y260-F292 HydrophobicContact CG-CE2 4.33Å; Y260-L300 HydrophobicContact CD2-CD1 4.02Å
261	E	98.7	Very high	98.4	Very high	7 Å²	7	14.4 Å²	14.4	3%	0.033	8%	0.075	C	C	.	.	H	α-helix	trans	-62.9	-43.2	-175.8	-174.9	166.8	-177.3	0	0	112.2	L163 R164 Y235 V257 L258 A263 G265 Y266	L163-E261 HydrophobicContact CD2-CG 4.06Å; R164-E261 IonicContact CZ-OE1 3.82Å; R164-E261 IonicContact NH2-OE1 2.77Å; R164-E261 PolarHBondContact NH2-OE1 3.36Å; Y235-E261 PolarHBondContact OH-OE2 3.36Å; V257-E261 WeakPolarHBondContact O-CB 3.35Å; V257-E261 PolarHBondContact O-N 2.82Å; L258-E261 PolarHBondContact O-N 2.8Å; E261-A263 VanDerWaalsContact C-N 3.35Å; E261-A263 PolarHBondContact O-N 3.4Å; E261-G265 VanDerWaalsContact O-CA 3.3Å; E261-G265 WeakPolarHBondContact O-CA 3.45Å; E261-G265 PolarHBondContact O-N 2.96Å; E261-Y266 WeakPolarHBondContact CA-O 3.4Å
262	M	98.8	Very high	98.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-45.9	174.7	-72.6	-171.1	-62.5	0	0	111.8	M159 F169 S174 Y177 A178 L258 I259 Y260	M159-M262 HydrophobicContact CE-SD 4Å; M159-M262 HydrophobicContact SD-CG 4.17Å; M159-M262 HydrophobicContact SD-SD 3.79Å; F169-M262 HydrophobicContact CD2-CB 3.95Å; F169-M262 HydrophobicContact CD2-CG 3.95Å; F169-M262 HydrophobicContact CD2-SD 4.13Å; F169-M262 HydrophobicContact CE2-CG 4.29Å; F169-M262 HydrophobicContact CE2-SD 4.4Å; F169-M262 PolarHBondContact N-O 3.48Å; S174-M262 WeakPolarHBondContact O-CE 3.49Å; S174-M262 WeakPolarHBondContact OG-CB 3.35Å; Y177-M262 HydrophobicContact CD2-SD 4.05Å; Y177-M262 HydrophobicContact CG-SD 4.43Å; A178-M262 HydrophobicContact CB-CE 4.36Å; L258-M262 HydrophobicContact CD1-CG 4.43Å; L258-M262 HydrophobicContact CD2-CE 4.4Å; L258-M262 HydrophobicContact CG-CE 4.04Å; L258-M262 HydrophobicContact CG-CG 4.48Å; L258-M262 HydrophobicContact CG-SD 4.4Å; L258-M262 WeakPolarHBondContact O-CB 3.06Å; L258-M262 WeakPolarHBondContact O-CG 3.47Å; L258-M262 PolarHBondContact O-N 3.38Å; I259-M262 HydrophobicContact CG1-CE 4.32Å; Y260-M262 PolarHBondContact O-N 3Å
263	A	98.7	Very high	98.1	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-78.4	-30.2	-176.4	0	0	0	0	0	113.8	R168 I259 Y260 E261 F292 L296	R168-A263 WeakPolarHBondContact CD-O 3.35Å; I259-A263 WeakPolarHBondContact O-CB 3.43Å; I259-A263 PolarHBondContact O-N 3.13Å; I259-A263 VanDerWaalsContact O-N 3.12Å; Y260-A263 PolarHBondContact O-N 3.38Å; E261-A263 VanDerWaalsContact C-N 3.35Å; E261-A263 PolarHBondContact O-N 3.4Å; A263-F292 HydrophobicContact CB-CE1 3.63Å; A263-F292 HydrophobicContact CB-CZ 3.62Å; A263-L296 HydrophobicContact CB-CD2 3.87Å
264	A	98.4	Very high	98	Very high	8 Å²	8	29.4 Å²	29.4	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-91.8	-31.2	-178.8	0	0	0	0	0	113.3	Y260 Y266 P289 F292	Y260-A264 HydrophobicContact CD1-CB 3.83Å; Y260-A264 HydrophobicContact CE1-CB 3.55Å; Y260-A264 VanDerWaalsContact O-CB 3.23Å; Y260-A264 WeakPolarHBondContact O-CB 3.48Å; Y260-A264 PolarHBondContact O-N 2.68Å; A264-Y266 VanDerWaalsContact C-N 3.34Å; A264-Y266 HydrophobicContact CB-CD1 4.12Å; A264-Y266 HydrophobicContact CB-CD2 4.41Å; A264-Y266 HydrophobicContact CB-CE1 3.96Å; A264-Y266 HydrophobicContact CB-CE2 4.25Å; A264-Y266 HydrophobicContact CB-CG 4.35Å; A264-Y266 WeakPolarHBondContact O-CD1 3.35Å; A264-P289 HydrophobicContact CB-CG 4.06Å; A264-F292 HydrophobicContact CB-CE1 4.12Å; A264-F292 HydrophobicContact CB-CZ 3.79Å
265	G	97.9	Very high	97.9	Very high	10 Å²	10	34.1 Å²	34.1	10%	0.103	18%	0.178	C	C	.	.	S	Bend	trans	88.1	-0.8	-168.3	0	0	0	0	0	114.5	R164 G167 E261	R164-G265 PolarHBondContact NH1-O 3.1Å; G167-G265 WeakPolarHBondContact O-CA 3.32Å; E261-G265 VanDerWaalsContact O-CA 3.3Å; E261-G265 WeakPolarHBondContact O-CA 3.45Å; E261-G265 PolarHBondContact O-N 2.96Å
266	Y	97.7	Very high	97.8	Very high	90 Å²	90	37.9 Å²	37.9	35%	0.353	20%	0.196	S	C	.	.	S	Bend	trans	-151.6	150.7	179.6	57.4	-93.9	0	0	0	109.8	Y260 E261 A264 F270	Y260-Y266 VanDerWaalsContact CD1-O 3.26Å; Y260-Y266 WeakPolarHBondContact CD1-O 3.49Å; Y260-Y266 HydrophobicContact CE1-CD2 4.06Å; Y260-Y266 AromaticContact CE1-CE2 3.84Å; Y260-Y266 HydrophobicContact CE1-CE2 3.84Å; Y260-Y266 VanDerWaalsContact CE1-O 3.28Å; Y260-Y266 WeakPolarHBondContact CE1-O 3.45Å; E261-Y266 WeakPolarHBondContact CA-O 3.4Å; A264-Y266 VanDerWaalsContact C-N 3.34Å; A264-Y266 HydrophobicContact CB-CD1 4.12Å; A264-Y266 HydrophobicContact CB-CD2 4.41Å; A264-Y266 HydrophobicContact CB-CE1 3.96Å; A264-Y266 HydrophobicContact CB-CE2 4.25Å; A264-Y266 HydrophobicContact CB-CG 4.35Å; A264-Y266 WeakPolarHBondContact O-CD1 3.35Å; Y266-F270 HydrophobicContact CD2-CD1 4.37Å; Y266-F270 AromaticContact CD2-CE1 3.77Å; Y266-F270 HydrophobicContact CD2-CE1 3.77Å; Y266-F270 HydrophobicContact CE2-CE1 4.24Å
267	P	98.1	Very high	97.8	Very high	12 Å²	12	38.1 Å²	38.1	8%	0.078	20%	0.197	C	C	.	.			trans	-69.6	157.5	-177.9	28.8	-35.9	0	0	0	112.2	E234 F269 F270	E234-P267 HydrophobicContact CB-CB 4.32Å; E234-P267 HydrophobicContact CG-CB 4.48Å; E234-P267 HydrophobicContact CG-CG 4.16Å; P267-F269 PolarHBondContact O-N 3.45Å; P267-F270 HydrophobicContact CG-CB 4.09Å; P267-F270 VanDerWaalsContact O-CD1 3.31Å; P267-F270 WeakPolarHBondContact O-CD1 3.43Å
268	P	98.4	Very high	97.7	Very high	15 Å²	15	41 Å²	41	10%	0.097	21%	0.208	C	C	.	.	S	Bend	trans	-64.6	-26.5	-179.9	24	-32.2	0	0	0	113.6	V257 Y260 V286 L304	V257-P268 HydrophobicContact CB-CG 4.38Å; V257-P268 HydrophobicContact CG1-CG 4.07Å; V257-P268 HydrophobicContact CG2-CG 4.25Å; Y260-P268 HydrophobicContact CD1-CB 3.9Å; Y260-P268 HydrophobicContact CD1-CG 4.23Å; Y260-P268 HydrophobicContact CD2-CB 3.75Å; Y260-P268 HydrophobicContact CD2-CG 4.44Å; Y260-P268 HydrophobicContact CE1-CB 4.07Å; Y260-P268 HydrophobicContact CE2-CB 3.89Å; Y260-P268 HydrophobicContact CG-CB 3.77Å; Y260-P268 HydrophobicContact CG-CG 4.06Å; P268-V286 HydrophobicContact CB-CG1 4.2Å; P268-L304 HydrophobicContact CB-CD1 4.23Å; P268-L304 HydrophobicContact CG-CD1 4.15Å
269	F	98.1	Very high	97.6	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.013	24%	0.237	C	C	.	.	S	Bend	trans	-130.5	115.3	179.8	-44.8	-75.4	0	0	0	108.7	W253 P267 I277 K280 I281 V286	W253-F269 HydrophobicContact CH2-CE2 4.2Å; W253-F269 HydrophobicContact CH2-CZ 4.24Å; W253-F269 HydrophobicContact CZ2-CD2 4.49Å; W253-F269 AromaticContact CZ2-CE2 3.58Å; W253-F269 HydrophobicContact CZ2-CE2 3.58Å; W253-F269 HydrophobicContact CZ2-CZ 4.06Å; P267-F269 PolarHBondContact O-N 3.45Å; F269-I277 HydrophobicContact CB-CG2 4.28Å; F269-K280 HydrophobicContact CB-CB 4.37Å; F269-K280 HydrophobicContact CD1-CB 4.04Å; F269-I281 HydrophobicContact CB-CD1 4.48Å; F269-I281 HydrophobicContact CB-CG1 3.8Å; F269-I281 HydrophobicContact CD1-CG1 4.29Å; F269-I281 HydrophobicContact CD2-CD1 4.44Å; F269-I281 HydrophobicContact CD2-CG1 3.53Å; F269-I281 HydrophobicContact CE2-CG1 4.11Å; F269-I281 HydrophobicContact CG-CG1 3.61Å; F269-V286 HydrophobicContact CE1-CG2 3.83Å; F269-V286 HydrophobicContact CE2-CG2 4.39Å; F269-V286 HydrophobicContact CZ-CG2 3.45Å; F269-V286 VanDerWaalsContact CZ-CG2 3.45Å
270	F	96.2	Very high	97.6	Very high	109 Å²	109	51.7 Å²	51.7	48%	0.478	26%	0.256	S	S	.	.			trans	-144.5	151.4	175.7	59.1	-83.1	0	0	0	110.3	Y266 P267 K280	Y266-F270 HydrophobicContact CD2-CD1 4.37Å; Y266-F270 AromaticContact CD2-CE1 3.77Å; Y266-F270 HydrophobicContact CD2-CE1 3.77Å; Y266-F270 HydrophobicContact CE2-CE1 4.24Å; P267-F270 HydrophobicContact CG-CB 4.09Å; P267-F270 VanDerWaalsContact O-CD1 3.31Å; P267-F270 WeakPolarHBondContact O-CD1 3.43Å; F270-K280 PolarHBondContact O-NZ 3.45Å
271	A	96.9	Very high	97.6	Very high	27 Å²	27	51.3 Å²	51.3	22%	0.223	26%	0.255	C	S	.	.			trans	-165.7	171.8	174.9	0	0	0	0	0	108.6	Q273 Q276 I277	A271-Q273 VanDerWaalsContact C-N 3.33Å; A271-Q273 PolarHBondContact O-N 2.91Å; A271-Q276 HydrophobicContact CB-CB 3.47Å; A271-Q276 VanDerWaalsContact CB-CB 3.47Å; A271-I277 HydrophobicContact CB-CG1 3.86Å
272	D	95.7	Very high	97.5	Very high	150 Å²	150	53.6 Å²	53.6	80%	0.802	27%	0.269	S	S	*	.	S	Bend	trans	-73	-28.5	-177.7	-56.6	-37	0	0	0	112.5
273	Q	96.4	Very high	97.3	Very high	114 Å²	114	56.5 Å²	56.5	53%	0.533	29%	0.29	S	S	.	.	S	Bend	trans	-119.3	137.8	-178.6	-63.2	-61	-41.9	0	0	111.3	A271 I275 Q276 I277	A271-Q273 VanDerWaalsContact C-N 3.33Å; A271-Q273 PolarHBondContact O-N 2.91Å; Q273-I275 HydrophobicContact CB-CG2 4.17Å; Q273-I275 PolarHBondContact O-N 2.98Å; Q273-I275 VanDerWaalsContact O-N 3.1Å; Q273-Q276 HydrophobicContact CB-CG 4.36Å; Q273-Q276 WeakPolarHBondContact O-CB 3.48Å; Q273-Q276 PolarHBondContact O-N 2.9Å; Q273-I277 PolarHBondContact O-N 2.91Å
274	P	96	Very high	97	Very high	56 Å²	56	57.9 Å²	57.9	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-52.9	-36.7	-179.9	-29.5	35.3	0	0	0	114.2	P233 Q276 I277 Y278	P233-P274 HydrophobicContact CB-CB 4.44Å; P233-P274 HydrophobicContact CG-CB 4.43Å; P274-Q276 VanDerWaalsContact C-N 3.28Å; P274-Q276 PolarHBondContact O-N 3.34Å; P274-I277 WeakPolarHBondContact O-CB 3.29Å; P274-I277 PolarHBondContact O-N 3.39Å; P274-I277 VanDerWaalsContact O-N 3.1Å; P274-Y278 HydrophobicContact CB-CE1 4.47Å; P274-Y278 HydrophobicContact CB-CE2 4.15Å; P274-Y278 WeakPolarHBondContact O-CD1 3.31Å; P274-Y278 WeakPolarHBondContact O-CD2 3.39Å; P274-Y278 PolarHBondContact O-N 2.98Å
275	I	96.3	Very high	96.8	Very high	106 Å²	106	65.7 Å²	65.7	54%	0.544	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-37.4	179.3	-167.3	61.6	0	0	0	112.7	Q273 Y278 E279	Q273-I275 HydrophobicContact CB-CG2 4.17Å; Q273-I275 PolarHBondContact O-N 2.98Å; Q273-I275 VanDerWaalsContact O-N 3.1Å; I275-Y278 HydrophobicContact CD1-CD2 4.3Å; I275-Y278 WeakPolarHBondContact O-CB 3.39Å; I275-Y278 PolarHBondContact O-N 3.17Å; I275-E279 WeakPolarHBondContact O-CG 3.34Å; I275-E279 PolarHBondContact O-N 3.01Å
276	Q	97.7	Very high	96.8	Very high	79 Å²	79	66.6 Å²	66.6	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-72.6	-32.5	178.2	-63.2	171.2	-30.8	0	0	111.4	A271 Q273 P274 Y278 K280	A271-Q276 HydrophobicContact CB-CB 3.47Å; A271-Q276 VanDerWaalsContact CB-CB 3.47Å; Q273-Q276 HydrophobicContact CB-CG 4.36Å; Q273-Q276 WeakPolarHBondContact O-CB 3.48Å; Q273-Q276 PolarHBondContact O-N 2.9Å; P274-Q276 VanDerWaalsContact C-N 3.28Å; P274-Q276 PolarHBondContact O-N 3.34Å; Q276-Y278 VanDerWaalsContact C-N 3.34Å; Q276-K280 WeakPolarHBondContact O-CG 3.35Å; Q276-K280 PolarHBondContact O-N 3.27Å
277	I	97.9	Very high	96.7	Very high	4 Å²	4	70.9 Å²	70.9	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-63.1	-45.8	172.4	-56.8	177.6	0	0	0	109.1	P233 E234 F269 A271 Q273 P274 E279 K280 I281	P233-I277 HydrophobicContact CB-CD1 4.27Å; E234-I277 HydrophobicContact CG-CD1 4.21Å; F269-I277 HydrophobicContact CB-CG2 4.28Å; A271-I277 HydrophobicContact CB-CG1 3.86Å; Q273-I277 PolarHBondContact O-N 2.91Å; P274-I277 WeakPolarHBondContact O-CB 3.29Å; P274-I277 PolarHBondContact O-N 3.39Å; P274-I277 VanDerWaalsContact O-N 3.1Å; I277-E279 PolarHBondContact O-N 2.97Å; I277-K280 WeakPolarHBondContact O-CB 3.47Å; I277-K280 PolarHBondContact O-N 2.85Å; I277-I281 HydrophobicContact CG2-CD1 3.8Å; I277-I281 HydrophobicContact CG2-CG1 4.43Å; I277-I281 WeakPolarHBondContact O-CG1 3.4Å; I277-I281 PolarHBondContact O-N 2.95Å
278	Y	97.7	Very high	96.7	Very high	61 Å²	61	72.7 Å²	72.7	24%	0.239	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-43.6	179.2	-57.8	-20.2	0	0	0	112.6	P233 L236 I241 P274 I275 Q276 K280 I281 V282	P233-Y278 HydrophobicContact CB-CE1 3.85Å; L236-Y278 HydrophobicContact CD1-CE1 3.81Å; I241-Y278 HydrophobicContact CD1-CD1 3.87Å; I241-Y278 HydrophobicContact CD1-CG 4.29Å; I241-Y278 HydrophobicContact CG1-CD1 4.02Å; I241-Y278 HydrophobicContact CG1-CG 4.3Å; I241-Y278 HydrophobicContact CG2-CG 4.18Å; P274-Y278 HydrophobicContact CB-CE1 4.47Å; P274-Y278 HydrophobicContact CB-CE2 4.15Å; P274-Y278 WeakPolarHBondContact O-CD1 3.31Å; P274-Y278 WeakPolarHBondContact O-CD2 3.39Å; P274-Y278 PolarHBondContact O-N 2.98Å; I275-Y278 HydrophobicContact CD1-CD2 4.3Å; I275-Y278 WeakPolarHBondContact O-CB 3.39Å; I275-Y278 PolarHBondContact O-N 3.17Å; Q276-Y278 VanDerWaalsContact C-N 3.34Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 3.09Å; Y278-I281 PolarHBondContact O-N 2.91Å; Y278-V282 WeakPolarHBondContact O-CG2 3.26Å; Y278-V282 PolarHBondContact O-N 2.83Å
279	E	97.5	Very high	96.7	Very high	130 Å²	130	72.6 Å²	72.6	61%	0.607	37%	0.366	S	S	*	.	H	α-helix	trans	-57.8	-44.2	174.5	-72.6	172.8	177.9	0	0	112	I275 I277 S283	I275-E279 WeakPolarHBondContact O-CG 3.34Å; I275-E279 PolarHBondContact O-N 3.01Å; I277-E279 PolarHBondContact O-N 2.97Å; E279-S283 WeakPolarHBondContact O-CB 3.47Å; E279-S283 PolarHBondContact O-N 3.17Å
280	K	97.8	Very high	96.7	Very high	94 Å²	94	78 Å²	78	41%	0.409	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-45.1	177.5	-71.5	178	-176.8	-177.3	0	111.8	F269 F270 Q276 I277 Y278 S283	F269-K280 HydrophobicContact CB-CB 4.37Å; F269-K280 HydrophobicContact CD1-CB 4.04Å; F270-K280 PolarHBondContact O-NZ 3.45Å; Q276-K280 WeakPolarHBondContact O-CG 3.35Å; Q276-K280 PolarHBondContact O-N 3.27Å; I277-K280 WeakPolarHBondContact O-CB 3.47Å; I277-K280 PolarHBondContact O-N 2.85Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 3.09Å; K280-S283 PolarHBondContact O-N 3.24Å; K280-S283 PolarHBondContact O-OG 3.28Å
281	I	98	Very high	96.8	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-59.4	-51.5	178	-71.6	166.4	0	0	0	110.7	P233 P238 I241 W253 F269 I277 Y278 S283 G284	P233-I281 WeakPolarHBondContact O-CD1 3.38Å; P238-I281 HydrophobicContact CB-CG2 4.31Å; P238-I281 HydrophobicContact CG-CG2 3.78Å; I241-I281 HydrophobicContact CD1-CB 3.84Å; I241-I281 HydrophobicContact CD1-CD1 3.83Å; I241-I281 HydrophobicContact CD1-CG1 4.44Å; I241-I281 HydrophobicContact CD1-CG2 3.53Å; W253-I281 HydrophobicContact CH2-CG2 4.35Å; W253-I281 HydrophobicContact CZ2-CG2 3.79Å; F269-I281 HydrophobicContact CB-CD1 4.48Å; F269-I281 HydrophobicContact CB-CG1 3.8Å; F269-I281 HydrophobicContact CD1-CG1 4.29Å; F269-I281 HydrophobicContact CD2-CD1 4.44Å; F269-I281 HydrophobicContact CD2-CG1 3.53Å; F269-I281 HydrophobicContact CE2-CG1 4.11Å; F269-I281 HydrophobicContact CG-CG1 3.61Å; I277-I281 HydrophobicContact CG2-CD1 3.8Å; I277-I281 HydrophobicContact CG2-CG1 4.43Å; I277-I281 WeakPolarHBondContact O-CG1 3.4Å; I277-I281 PolarHBondContact O-N 2.95Å; Y278-I281 PolarHBondContact O-N 2.91Å; I281-S283 PolarHBondContact O-N 2.8Å; I281-G284 PolarHBondContact O-N 3.34Å; I281-G284 VanDerWaalsContact O-N 3.07Å
282	V	97.2	Very high	96.9	Very high	54 Å²	54	75.8 Å²	75.8	33%	0.327	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-28.7	-177.4	175	0	0	0	0	111.8	I241 L242 Y278 G284	I241-V282 HydrophobicContact CB-CG2 4.35Å; I241-V282 HydrophobicContact CG2-CG2 3.85Å; L242-V282 HydrophobicContact CD1-CG1 4.29Å; L242-V282 HydrophobicContact CD2-CG1 4.15Å; L242-V282 HydrophobicContact CD2-CG2 4.16Å; L242-V282 HydrophobicContact CG-CG2 4.15Å; Y278-V282 WeakPolarHBondContact O-CG2 3.26Å; Y278-V282 PolarHBondContact O-N 2.83Å; V282-G284 PolarHBondContact O-N 3Å
283	S	96	Very high	97	Very high	62 Å²	62	70.1 Å²	70.1	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-21.6	174.9	83.4	0	0	0	0	114	E279 K280 I281 K285	E279-S283 WeakPolarHBondContact O-CB 3.47Å; E279-S283 PolarHBondContact O-N 3.17Å; K280-S283 PolarHBondContact O-N 3.24Å; K280-S283 PolarHBondContact O-OG 3.28Å; I281-S283 PolarHBondContact O-N 2.8Å; S283-K285 PolarHBondContact O-N 3.44Å; S283-K285 PolarHBondContact OG-N 2.89Å
284	G	91.6	Very high	97.1	Very high	31 Å²	31	70.5 Å²	70.5	32%	0.32	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	9.6	-178.8	0	0	0	0	0	115.1	I281 V282 V286	I281-G284 PolarHBondContact O-N 3.34Å; I281-G284 VanDerWaalsContact O-N 3.07Å; V282-G284 PolarHBondContact O-N 3Å; G284-V286 PolarHBondContact O-N 2.65Å
285	K	94.4	Very high	97.3	Very high	172 Å²	172	71.9 Å²	71.9	75%	0.748	37%	0.37	S	S	*	.			trans	-92.5	96.1	-176.6	-65.9	-179	-175.8	176.2	0	111.4	S283	S283-K285 PolarHBondContact O-N 3.44Å; S283-K285 PolarHBondContact OG-N 2.89Å
286	V	96.5	Very high	97.4	Very high	30 Å²	30	66.8 Å²	66.8	18%	0.182	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-93.1	128.5	174.4	-174.9	0	0	0	0	110.6	Y260 P268 F269 G284 F288 L304	Y260-V286 HydrophobicContact CD2-CG1 4.24Å; Y260-V286 HydrophobicContact CE2-CG1 3.88Å; P268-V286 HydrophobicContact CB-CG1 4.2Å; F269-V286 HydrophobicContact CE1-CG2 3.83Å; F269-V286 HydrophobicContact CE2-CG2 4.39Å; F269-V286 HydrophobicContact CZ-CG2 3.45Å; F269-V286 VanDerWaalsContact CZ-CG2 3.45Å; G284-V286 PolarHBondContact O-N 2.65Å; V286-F288 HydrophobicContact CB-CE1 4.47Å; V286-F288 HydrophobicContact CB-CE2 4.39Å; V286-F288 HydrophobicContact CB-CZ 4.03Å; V286-F288 HydrophobicContact CG1-CD1 4.13Å; V286-F288 HydrophobicContact CG1-CE1 3.59Å; V286-F288 HydrophobicContact CG1-CE2 4.24Å; V286-F288 HydrophobicContact CG1-CZ 3.65Å; V286-L304 HydrophobicContact CG1-CD1 4.26Å; V286-L304 HydrophobicContact CG2-CB 4.28Å; V286-L304 HydrophobicContact CG2-CD1 4.02Å
287	K	96.7	Very high	97.4	Very high	179 Å²	179	65.2 Å²	65.2	78%	0.778	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-98.2	131.3	169	-68.8	-175.9	-179.7	179.7	0	109.5	Y260	Y260-K287 WeakPolarHBondContact CE2-O 3.38Å; Y260-K287 PolarHBondContact OH-O 3.39Å
288	F	98.3	Very high	97.5	Very high	51 Å²	51	68.7 Å²	68.7	22%	0.224	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-102.8	139.5	179.4	-60.3	-73.2	0	0	0	111.1	Y260 V286 F292 K297 L300 K301	Y260-F288 HydrophobicContact CD2-CD1 4.2Å; Y260-F288 HydrophobicContact CD2-CE1 4.25Å; Y260-F288 AromaticContact CE2-CD1 3.93Å; Y260-F288 HydrophobicContact CE2-CD1 3.93Å; Y260-F288 HydrophobicContact CE2-CE1 4.3Å; V286-F288 HydrophobicContact CB-CE1 4.47Å; V286-F288 HydrophobicContact CB-CE2 4.39Å; V286-F288 HydrophobicContact CB-CZ 4.03Å; V286-F288 HydrophobicContact CG1-CD1 4.13Å; V286-F288 HydrophobicContact CG1-CE1 3.59Å; V286-F288 HydrophobicContact CG1-CE2 4.24Å; V286-F288 HydrophobicContact CG1-CZ 3.65Å; F288-F292 HydrophobicContact CB-CD2 4.36Å; F288-F292 HydrophobicContact CD1-CD2 4Å; F288-F292 HydrophobicContact CD1-CE2 4.29Å; F288-K297 HydrophobicContact CB-CD 4.24Å; F288-K297 HydrophobicContact CB-CG 3.98Å; F288-K297 HydrophobicContact CD1-CG 4.22Å; F288-K297 HydrophobicContact CD2-CG 4.24Å; F288-K297 HydrophobicContact CG-CG 3.87Å; F288-L300 HydrophobicContact CD1-CD1 4.21Å; F288-L300 HydrophobicContact CE1-CB 3.73Å; F288-L300 HydrophobicContact CE1-CD1 3.9Å; F288-L300 HydrophobicContact CE1-CG 4.5Å; F288-L300 HydrophobicContact CZ-CB 4.24Å; F288-K301 HydrophobicContact CE2-CG 3.95Å; F288-K301 HydrophobicContact CZ-CG 3.9Å
289	P	98.4	Very high	97.5	Very high	12 Å²	12	65.8 Å²	65.8	8%	0.078	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-58.8	150.8	169.4	-22.1	32.7	0	0	0	112.5	A264 H291 F292	A264-P289 HydrophobicContact CB-CG 4.06Å; P289-H291 VanDerWaalsContact C-N 3.26Å; P289-H291 WeakPolarHBondContact CB-CE1 3.27Å; P289-H291 WeakPolarHBondContact CB-ND1 3.4Å; P289-H291 PolarHBondContact O-N 3.09Å; P289-F292 HydrophobicContact CB-CD1 3.98Å; P289-F292 HydrophobicContact CB-CE1 4.17Å; P289-F292 HydrophobicContact CB-CG 4.47Å; P289-F292 HydrophobicContact CG-CD1 3.95Å; P289-F292 HydrophobicContact CG-CE1 3.68Å; P289-F292 HydrophobicContact CG-CE2 4.38Å; P289-F292 HydrophobicContact CG-CG 4.41Å; P289-F292 HydrophobicContact CG-CZ 3.93Å; P289-F292 PolarHBondContact O-N 3.16Å
290	S	97.8	Very high	97.6	Very high	118 Å²	118	59.6 Å²	59.6	83%	0.825	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.4	-179.3	53.4	0	0	0	0	112.8	F292	S290-F292 VanDerWaalsContact C-N 3.27Å; S290-F292 PolarHBondContact O-N 3.3Å
291	H	98.3	Very high	97.6	Very high	83 Å²	83	60.7 Å²	60.7	38%	0.384	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7	-177.5	63.9	-89.2	0	0	0	114.6	R168 P289	R168-H291 PolarHBondContact NH1-CD2 3.49Å; R168-H291 VanDerWaalsContact NH1-CD2 3.34Å; R168-H291 PolarHBondContact NH1-CE1 3.46Å; R168-H291 PolarHBondContact NH1-ND1 3.07Å; R168-H291 VanDerWaalsContact NH1-ND1 3.17Å; R168-H291 PolarHBondContact NH1-NE2 2.73Å; P289-H291 VanDerWaalsContact C-N 3.26Å; P289-H291 WeakPolarHBondContact CB-CE1 3.27Å; P289-H291 WeakPolarHBondContact CB-ND1 3.4Å; P289-H291 PolarHBondContact O-N 3.09Å
292	F	98.7	Very high	97.7	Very high	5 Å²	5	62.2 Å²	62.2	2%	0.022	33%	0.327	C	S	.	.	S	Bend	trans	-70	133.8	174.1	-82.2	21.3	0	0	0	110.4	Y260 A263 A264 F288 P289 S290 L296 K297 L300	Y260-F292 AromaticContact CD2-CE2 3.95Å; Y260-F292 HydrophobicContact CD2-CE2 3.95Å; Y260-F292 HydrophobicContact CE2-CE2 4.18Å; Y260-F292 HydrophobicContact CG-CE2 4.33Å; A263-F292 HydrophobicContact CB-CE1 3.63Å; A263-F292 HydrophobicContact CB-CZ 3.62Å; A264-F292 HydrophobicContact CB-CE1 4.12Å; A264-F292 HydrophobicContact CB-CZ 3.79Å; F288-F292 HydrophobicContact CB-CD2 4.36Å; F288-F292 HydrophobicContact CD1-CD2 4Å; F288-F292 HydrophobicContact CD1-CE2 4.29Å; P289-F292 HydrophobicContact CB-CD1 3.98Å; P289-F292 HydrophobicContact CB-CE1 4.17Å; P289-F292 HydrophobicContact CB-CG 4.47Å; P289-F292 HydrophobicContact CG-CD1 3.95Å; P289-F292 HydrophobicContact CG-CE1 3.68Å; P289-F292 HydrophobicContact CG-CE2 4.38Å; P289-F292 HydrophobicContact CG-CG 4.41Å; P289-F292 HydrophobicContact CG-CZ 3.93Å; P289-F292 PolarHBondContact O-N 3.16Å; S290-F292 VanDerWaalsContact C-N 3.27Å; S290-F292 PolarHBondContact O-N 3.3Å; F292-L296 HydrophobicContact CB-CD2 4.17Å; F292-L296 HydrophobicContact CD1-CD2 3.95Å; F292-L296 HydrophobicContact CD2-CD2 3.58Å; F292-L296 HydrophobicContact CD2-CG 3.91Å; F292-L296 HydrophobicContact CE1-CD2 4.19Å; F292-L296 HydrophobicContact CE2-CD2 3.85Å; F292-L296 HydrophobicContact CE2-CG 4.31Å; F292-L296 HydrophobicContact CG-CD2 3.63Å; F292-L296 HydrophobicContact CG-CG 4.3Å; F292-L296 HydrophobicContact CZ-CD2 4.13Å; F292-K297 HydrophobicContact CB-CD 4.35Å; F292-K297 HydrophobicContact CB-CG 3.94Å; F292-K297 WeakPolarHBondContact O-CE 3.38Å; F292-K297 PolarHBondContact O-NZ 2.98Å; F292-L300 HydrophobicContact CD2-CD1 3.99Å; F292-L300 HydrophobicContact CE2-CD1 3.63Å
293	S	98.7	Very high	97.8	Very high	32 Å²	32	59.6 Å²	59.6	22%	0.224	31%	0.312	C	S	.	.			trans	-60.4	159.1	171.8	68.9	0	0	0	0	111.8	E171 E295 L296 K297	E171-S293 WeakPolarHBondContact OE1-CB 2.99Å; E171-S293 PolarHBondContact OE1-N 3.46Å; E171-S293 PolarHBondContact OE1-OG 2.9Å; E171-S293 WeakPolarHBondContact OE2-CB 3.25Å; E171-S293 PolarHBondContact OE2-OG 3Å; S293-E295 VanDerWaalsContact C-N 3.29Å; S293-L296 PolarHBondContact O-N 3.04Å; S293-L296 WeakPolarHBondContact OG-CB 3.35Å; S293-L296 PolarHBondContact OG-N 3.45Å; S293-K297 VanDerWaalsContact O-CG 3.32Å; S293-K297 WeakPolarHBondContact O-CG 3.13Å; S293-K297 PolarHBondContact O-N 3.43Å
294	N	98.6	Very high	97.9	Very high	121 Å²	121	57.1 Å²	57.1	65%	0.647	29%	0.294	S	S	*	.	H	α-helix	trans	-66.7	-36.9	177	-71.6	-30.6	0	0	0	110.9	K297 D298	N294-K297 PolarHBondContact O-N 3.42Å; N294-D298 WeakPolarHBondContact O-CB 3.3Å; N294-D298 PolarHBondContact O-N 3.45Å
295	E	98.7	Very high	98.2	Very high	85 Å²	85	58.2 Å²	58.2	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-43.1	175.9	-64.3	71.2	-158.9	0	0	111.1	S293 D298 L299 H325 K326 W327	S293-E295 VanDerWaalsContact C-N 3.29Å; E295-D298 PolarHBondContact O-N 2.89Å; E295-L299 PolarHBondContact O-N 2.78Å; E295-H325 PolarHBondContact O-CE1 3.28Å; E295-K326 HydrophobicContact CG-CB 4.02Å; E295-W327 HydrophobicContact CB-CB 4.03Å; E295-W327 HydrophobicContact CB-CG 4.47Å
296	L	98.9	Very high	98.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-47.4	175.9	177.7	55.2	0	0	0	111.3	E171 I259 A263 F292 S293 D298 L299 L300 W327	E171-L296 HydrophobicContact CG-CD2 3.85Å; I259-L296 HydrophobicContact CG2-CD1 3.54Å; A263-L296 HydrophobicContact CB-CD2 3.87Å; F292-L296 HydrophobicContact CB-CD2 4.17Å; F292-L296 HydrophobicContact CD1-CD2 3.95Å; F292-L296 HydrophobicContact CD2-CD2 3.58Å; F292-L296 HydrophobicContact CD2-CG 3.91Å; F292-L296 HydrophobicContact CE1-CD2 4.19Å; F292-L296 HydrophobicContact CE2-CD2 3.85Å; F292-L296 HydrophobicContact CE2-CG 4.31Å; F292-L296 HydrophobicContact CG-CD2 3.63Å; F292-L296 HydrophobicContact CG-CG 4.3Å; F292-L296 HydrophobicContact CZ-CD2 4.13Å; S293-L296 PolarHBondContact O-N 3.04Å; S293-L296 WeakPolarHBondContact OG-CB 3.35Å; S293-L296 PolarHBondContact OG-N 3.45Å; L296-D298 VanDerWaalsContact C-N 3.26Å; L296-D298 PolarHBondContact O-N 2.9Å; L296-L299 PolarHBondContact O-N 3.44Å; L296-L300 HydrophobicContact CD1-CD1 3.73Å; L296-L300 HydrophobicContact CD1-CD2 4.48Å; L296-L300 HydrophobicContact CD1-CG 3.84Å; L296-L300 HydrophobicContact CG-CD1 3.83Å; L296-L300 HydrophobicContact CG-CG 4.35Å; L296-L300 WeakPolarHBondContact O-CB 3.43Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.33Å; L296-L300 PolarHBondContact O-N 3.46Å; L296-W327 HydrophobicContact CD1-CD2 4.3Å; L296-W327 HydrophobicContact CD1-CZ2 3.89Å
297	K	98.8	Very high	98.4	Very high	45 Å²	45	53.9 Å²	53.9	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-41.4	177.5	-70.9	169.6	-175	156.6	0	111.3	F288 F292 S293 N294 K301	F288-K297 HydrophobicContact CB-CD 4.24Å; F288-K297 HydrophobicContact CB-CG 3.98Å; F288-K297 HydrophobicContact CD1-CG 4.22Å; F288-K297 HydrophobicContact CD2-CG 4.24Å; F288-K297 HydrophobicContact CG-CG 3.87Å; F292-K297 HydrophobicContact CB-CD 4.35Å; F292-K297 HydrophobicContact CB-CG 3.94Å; F292-K297 WeakPolarHBondContact O-CE 3.38Å; F292-K297 PolarHBondContact O-NZ 2.98Å; S293-K297 VanDerWaalsContact O-CG 3.32Å; S293-K297 WeakPolarHBondContact O-CG 3.13Å; S293-K297 PolarHBondContact O-N 3.43Å; N294-K297 PolarHBondContact O-N 3.42Å; K297-K301 WeakPolarHBondContact O-CB 2.94Å; K297-K301 WeakPolarHBondContact O-CG 3.36Å; K297-K301 PolarHBondContact O-N 2.76Å
298	D	98.7	Very high	98.4	Very high	77 Å²	77	48 Å²	48	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-66.3	-46.5	179	-165.3	54.1	0	0	0	112	N294 E295 L296 L300 K301 N302 H325	N294-D298 WeakPolarHBondContact O-CB 3.3Å; N294-D298 PolarHBondContact O-N 3.45Å; E295-D298 PolarHBondContact O-N 2.89Å; L296-D298 VanDerWaalsContact C-N 3.26Å; L296-D298 PolarHBondContact O-N 2.9Å; D298-L300 PolarHBondContact O-N 3.47Å; D298-K301 PolarHBondContact O-N 3.41Å; D298-N302 PolarHBondContact O-N 2.83Å; D298-N302 PolarHBondContact O-ND2 3.38Å; D298-H325 IonicContact OD2-NE2 3.19Å; D298-H325 PolarHBondContact OD2-NE2 3.43Å
299	L	98.9	Very high	98.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.6	-50.1	174.4	179.1	61.1	0	0	0	111.2	I259 E295 L296 K301 N302 L303 Y312 H325 W327 F328	I259-L299 HydrophobicContact CD1-CD2 4.15Å; E295-L299 PolarHBondContact O-N 2.78Å; L296-L299 PolarHBondContact O-N 3.44Å; L299-K301 VanDerWaalsContact C-N 3.34Å; L299-K301 PolarHBondContact O-N 3.29Å; L299-N302 PolarHBondContact O-N 2.85Å; L299-N302 VanDerWaalsContact O-N 3.07Å; L299-L303 HydrophobicContact CD1-CD1 3.98Å; L299-L303 HydrophobicContact CD1-CG 4.22Å; L299-L303 HydrophobicContact CD2-CD1 4.44Å; L299-L303 HydrophobicContact CG-CD1 3.9Å; L299-L303 HydrophobicContact CG-CG 4.47Å; L299-L303 PolarHBondContact O-N 3.4Å; L299-Y312 HydrophobicContact CD1-CD2 4.43Å; L299-H325 HydrophobicContact CD1-CB 4.14Å; L299-W327 HydrophobicContact CB-CB 4.35Å; L299-W327 HydrophobicContact CD2-CB 4.13Å; L299-W327 HydrophobicContact CD2-CD2 3.95Å; L299-W327 HydrophobicContact CD2-CE3 3.42Å; L299-W327 VanDerWaalsContact CD2-CE3 3.42Å; L299-W327 HydrophobicContact CD2-CG 4.27Å; L299-W327 HydrophobicContact CD2-CZ3 4.07Å; L299-F328 HydrophobicContact CD2-CD2 4.22Å; L299-F328 HydrophobicContact CD2-CE2 3.71Å; L299-F328 HydrophobicContact CD2-CZ 4.48Å
300	L	98.9	Very high	98.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-37	-177.4	-70.4	175.5	0	0	0	112.3	G256 I259 Y260 F288 F292 L296 D298 N302 L303 L304	G256-L300 WeakPolarHBondContact O-CD2 3.28Å; I259-L300 HydrophobicContact CB-CD2 3.95Å; I259-L300 HydrophobicContact CG2-CD2 3.87Å; Y260-L300 HydrophobicContact CD2-CD1 4.02Å; F288-L300 HydrophobicContact CD1-CD1 4.21Å; F288-L300 HydrophobicContact CE1-CB 3.73Å; F288-L300 HydrophobicContact CE1-CD1 3.9Å; F288-L300 HydrophobicContact CE1-CG 4.5Å; F288-L300 HydrophobicContact CZ-CB 4.24Å; F292-L300 HydrophobicContact CD2-CD1 3.99Å; F292-L300 HydrophobicContact CE2-CD1 3.63Å; L296-L300 HydrophobicContact CD1-CD1 3.73Å; L296-L300 HydrophobicContact CD1-CD2 4.48Å; L296-L300 HydrophobicContact CD1-CG 3.84Å; L296-L300 HydrophobicContact CG-CD1 3.83Å; L296-L300 HydrophobicContact CG-CG 4.35Å; L296-L300 WeakPolarHBondContact O-CB 3.43Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.33Å; L296-L300 PolarHBondContact O-N 3.46Å; D298-L300 PolarHBondContact O-N 3.47Å; L300-N302 PolarHBondContact O-N 3.36Å; L300-L303 PolarHBondContact O-N 3.43Å; L300-L304 WeakPolarHBondContact O-CA 3.25Å; L300-L304 VanDerWaalsContact O-CB 3.24Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3.39Å
301	K	98.6	Very high	98.4	Very high	117 Å²	117	49.9 Å²	49.9	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-32.1	173.4	-77.3	170.6	-177.3	178	0	112.8	F288 K297 D298 L299	F288-K301 HydrophobicContact CE2-CG 3.95Å; F288-K301 HydrophobicContact CZ-CG 3.9Å; K297-K301 WeakPolarHBondContact O-CB 2.94Å; K297-K301 WeakPolarHBondContact O-CG 3.36Å; K297-K301 PolarHBondContact O-N 2.76Å; D298-K301 PolarHBondContact O-N 3.41Å; L299-K301 VanDerWaalsContact C-N 3.34Å; L299-K301 PolarHBondContact O-N 3.29Å
302	N	98.7	Very high	98.4	Very high	32 Å²	32	48 Å²	48	17%	0.171	24%	0.244	C	C	.	.	H	α-helix	trans	-85.3	-25.6	179.9	-73.8	-68	0	0	0	113.3	D298 L299 L300 R311 Y312	D298-N302 PolarHBondContact O-N 2.83Å; D298-N302 PolarHBondContact O-ND2 3.38Å; L299-N302 PolarHBondContact O-N 2.85Å; L299-N302 VanDerWaalsContact O-N 3.07Å; L300-N302 PolarHBondContact O-N 3.36Å; N302-R311 WeakPolarHBondContact O-CA 3.42Å; N302-Y312 HydrophobicContact CB-CD1 3.6Å; N302-Y312 HydrophobicContact CB-CD2 3.71Å; N302-Y312 HydrophobicContact CB-CE1 3.64Å; N302-Y312 HydrophobicContact CB-CE2 3.76Å; N302-Y312 HydrophobicContact CB-CG 3.63Å; N302-Y312 PolarHBondContact O-N 2.85Å; N302-Y312 WeakPolarHBondContact OD1-CE1 3.24Å
303	L	98.8	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-83.7	-47.4	172.7	-68	173	0	0	0	112.3	W252 L255 I259 L299 L300 Q305 R311 I322	W252-L303 HydrophobicContact CB-CD2 4.37Å; L255-L303 HydrophobicContact CD2-CD1 4.31Å; L255-L303 HydrophobicContact CG-CD1 4.27Å; I259-L303 HydrophobicContact CD1-CD1 4.02Å; L299-L303 HydrophobicContact CD1-CD1 3.98Å; L299-L303 HydrophobicContact CD1-CG 4.22Å; L299-L303 HydrophobicContact CD2-CD1 4.44Å; L299-L303 HydrophobicContact CG-CD1 3.9Å; L299-L303 HydrophobicContact CG-CG 4.47Å; L299-L303 PolarHBondContact O-N 3.4Å; L300-L303 PolarHBondContact O-N 3.43Å; L303-Q305 PolarHBondContact O-N 3.21Å; L303-R311 WeakPolarHBondContact O-CD 3.4Å; L303-R311 WeakPolarHBondContact O-CG 3.49Å; L303-I322 HydrophobicContact CD2-CD1 3.77Å; L303-I322 HydrophobicContact CD2-CG1 4.07Å
304	L	98.7	Very high	98.4	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.052	25%	0.247	C	C	.	.	S	Bend	trans	-81.3	40.5	176.5	-57.4	178.1	0	0	0	111.6	W253 V257 P268 V286 L300	W253-L304 HydrophobicContact CD2-CD2 4.05Å; W253-L304 HydrophobicContact CE3-CD2 4.41Å; W253-L304 HydrophobicContact CG-CD2 4.46Å; W253-L304 HydrophobicContact CH2-CB 4.37Å; W253-L304 HydrophobicContact CZ2-CD2 4.21Å; W253-L304 HydrophobicContact CZ3-CB 4.24Å; W253-L304 WeakPolarHBondContact CZ3-O 3.29Å; V257-L304 HydrophobicContact CG2-CD2 3.65Å; P268-L304 HydrophobicContact CB-CD1 4.23Å; P268-L304 HydrophobicContact CG-CD1 4.15Å; V286-L304 HydrophobicContact CG1-CD1 4.26Å; V286-L304 HydrophobicContact CG2-CB 4.28Å; V286-L304 HydrophobicContact CG2-CD1 4.02Å; L300-L304 WeakPolarHBondContact O-CA 3.25Å; L300-L304 VanDerWaalsContact O-CB 3.24Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3.39Å
305	Q	98.2	Very high	98.3	Very high	54 Å²	54	45.6 Å²	45.6	25%	0.252	23%	0.23	S	C	.	.			trans	-93.8	120.5	-177.8	177.2	53	-99.9	0	0	110.3	L303 D307 K310 R311	L303-Q305 PolarHBondContact O-N 3.21Å; Q305-D307 VanDerWaalsContact C-N 3.34Å; Q305-D307 HydrophobicContact CG-CB 4.26Å; Q305-D307 WeakPolarHBondContact CG-O 3.25Å; Q305-K310 HydrophobicContact CG-CB 3.78Å; Q305-R311 HydrophobicContact CB-CB 4.04Å; Q305-R311 HydrophobicContact CB-CG 4.21Å; Q305-R311 HydrophobicContact CG-CB 4.35Å; Q305-R311 VanDerWaalsContact O-CZ 3.25Å; Q305-R311 PolarHBondContact O-NE 3.05Å; Q305-R311 PolarHBondContact O-NH2 3.18Å
306	V	97.9	Very high	98.2	Very high	58 Å²	58	51.6 Å²	51.6	35%	0.352	26%	0.255	S	S	.	.	S	Bend	trans	-67.6	-37.2	178.4	-178.8	0	0	0	0	111.2	P238 W253 L308	P238-V306 HydrophobicContact CB-CG1 4.21Å; P238-V306 HydrophobicContact CG-CG1 4.32Å; P238-V306 HydrophobicContact CG-CG2 4.08Å; W253-V306 HydrophobicContact CZ3-CG2 4.42Å; V306-L308 PolarHBondContact O-N 3.3Å
307	D	97.3	Very high	98	Very high	52 Å²	52	56.7 Å²	56.7	28%	0.278	28%	0.282	S	S	.	.			trans	-74.6	105	178	-174.9	-10.6	0	0	0	111.4	Q305 T309 K310 R311	Q305-D307 VanDerWaalsContact C-N 3.34Å; Q305-D307 HydrophobicContact CG-CB 4.26Å; Q305-D307 WeakPolarHBondContact CG-O 3.25Å; D307-T309 VanDerWaalsContact CG-OG1 3.29Å; D307-T309 PolarHBondContact O-N 2.82Å; D307-T309 WeakPolarHBondContact OD1-CB 3.47Å; D307-T309 PolarHBondContact OD1-N 3.02Å; D307-T309 PolarHBondContact OD1-OG1 2.83Å; D307-T309 PolarHBondContact OD2-OG1 2.92Å; D307-K310 HydrophobicContact CB-CB 4.39Å; D307-K310 HydrophobicContact CB-CD 4.23Å; D307-K310 HydrophobicContact CB-CG 4.46Å; D307-K310 PolarHBondContact O-N 3.28Å; D307-K310 WeakPolarHBondContact OD2-CD 3.37Å; D307-K310 WeakPolarHBondContact OD2-CE 3.38Å; D307-K310 IonicContact OD2-NZ 2.93Å; D307-K310 PolarHBondContact OD2-NZ 2.88Å; D307-R311 PolarHBondContact O-N 3.27Å; D307-R311 VanDerWaalsContact O-N 3.17Å
308	L	97.4	Very high	97.9	Very high	56 Å²	56	55.4 Å²	55.4	29%	0.293	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24	179.8	-69.3	177.1	0	0	0	114	E239 A249 V306 K310 N314	E239-L308 WeakPolarHBondContact OE1-CD2 3.47Å; A249-L308 HydrophobicContact CB-CD2 4.13Å; V306-L308 PolarHBondContact O-N 3.3Å; L308-K310 PolarHBondContact O-N 3.24Å; L308-N314 PolarHBondContact O-ND2 3.26Å
309	T	97.4	Very high	97.8	Very high	106 Å²	106	53 Å²	53	65%	0.65	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-6.6	178.4	70.7	0	0	0	0	113.2	D307 L315	D307-T309 VanDerWaalsContact CG-OG1 3.29Å; D307-T309 PolarHBondContact O-N 2.82Å; D307-T309 WeakPolarHBondContact OD1-CB 3.47Å; D307-T309 PolarHBondContact OD1-N 3.02Å; D307-T309 PolarHBondContact OD1-OG1 2.83Å; D307-T309 PolarHBondContact OD2-OG1 2.92Å; T309-L315 WeakPolarHBondContact O-CD2 3.48Å
310	K	98.2	Very high	97.7	Very high	114 Å²	114	54.7 Å²	54.7	50%	0.496	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-11	-178.8	-63.7	175.8	-171.6	150.1	0	113.3	Q305 D307 L308 Y312	Q305-K310 HydrophobicContact CG-CB 3.78Å; D307-K310 HydrophobicContact CB-CB 4.39Å; D307-K310 HydrophobicContact CB-CD 4.23Å; D307-K310 HydrophobicContact CB-CG 4.46Å; D307-K310 PolarHBondContact O-N 3.28Å; D307-K310 WeakPolarHBondContact OD2-CD 3.37Å; D307-K310 WeakPolarHBondContact OD2-CE 3.38Å; D307-K310 IonicContact OD2-NZ 2.93Å; D307-K310 PolarHBondContact OD2-NZ 2.88Å; L308-K310 PolarHBondContact O-N 3.24Å; K310-Y312 PolarHBondContact O-N 3.09Å
311	R	98.7	Very high	97.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-71.3	126.5	-178.6	-166.9	-177.1	-59.9	160.9	4.6	111.3	E239 A249 N302 L303 Q305 D307 N314 L315	E239-R311 IonicContact OE1-CZ 3.64Å; E239-R311 IonicContact OE1-NH1 3.49Å; E239-R311 PolarHBondContact OE1-NH1 2.75Å; E239-R311 IonicContact OE1-NH2 2.88Å; E239-R311 IonicContact OE2-CZ 2.94Å; E239-R311 IonicContact OE2-NH1 3.52Å; E239-R311 PolarHBondContact OE2-NH1 2.74Å; E239-R311 IonicContact OE2-NH2 3.52Å; E239-R311 PolarHBondContact OE2-NH2 2.84Å; A249-R311 PolarHBondContact O-NH1 2.8Å; N302-R311 WeakPolarHBondContact O-CA 3.42Å; L303-R311 WeakPolarHBondContact O-CD 3.4Å; L303-R311 WeakPolarHBondContact O-CG 3.49Å; Q305-R311 HydrophobicContact CB-CB 4.04Å; Q305-R311 HydrophobicContact CB-CG 4.21Å; Q305-R311 HydrophobicContact CG-CB 4.35Å; Q305-R311 VanDerWaalsContact O-CZ 3.25Å; Q305-R311 PolarHBondContact O-NE 3.05Å; Q305-R311 PolarHBondContact O-NH2 3.18Å; D307-R311 PolarHBondContact O-N 3.27Å; D307-R311 VanDerWaalsContact O-N 3.17Å; R311-N314 PolarHBondContact O-N 2.49Å; R311-L315 WeakPolarHBondContact O-CG 3.48Å
312	Y	98.7	Very high	97.7	Very high	44 Å²	44	50.5 Å²	50.5	17%	0.173	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	147.1	174.8	-80.7	15.7	0	0	0	111.8	L299 N302 K310 N314 L315 D321 I322 H325	L299-Y312 HydrophobicContact CD1-CD2 4.43Å; N302-Y312 HydrophobicContact CB-CD1 3.6Å; N302-Y312 HydrophobicContact CB-CD2 3.71Å; N302-Y312 HydrophobicContact CB-CE1 3.64Å; N302-Y312 HydrophobicContact CB-CE2 3.76Å; N302-Y312 HydrophobicContact CB-CG 3.63Å; N302-Y312 PolarHBondContact O-N 2.85Å; N302-Y312 WeakPolarHBondContact OD1-CE1 3.24Å; K310-Y312 PolarHBondContact O-N 3.09Å; Y312-N314 PolarHBondContact O-N 3.02Å; Y312-L315 HydrophobicContact CD1-CD1 4.01Å; Y312-L315 HydrophobicContact CE1-CD1 4.3Å; Y312-D321 HydrophobicContact CD1-CB 4.08Å; Y312-D321 HydrophobicContact CD2-CB 4.02Å; Y312-D321 WeakPolarHBondContact CD2-O 3.39Å; Y312-D321 HydrophobicContact CE1-CB 4.33Å; Y312-D321 HydrophobicContact CE2-CB 4.25Å; Y312-D321 VanDerWaalsContact CE2-O 3.28Å; Y312-D321 WeakPolarHBondContact CE2-O 3.25Å; Y312-D321 HydrophobicContact CG-CB 3.93Å; Y312-I322 HydrophobicContact CD2-CG1 4.33Å; Y312-H325 AromaticContact CE2-CD2 3.84Å
313	G	98.2	Very high	97.7	Very high	6 Å²	6	50 Å²	50	6%	0.062	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-18.4	-171.9	0	0	0	0	0	114.4	G318	G313-G318 WeakPolarHBondContact CA-O 3.19Å; G313-G318 PolarHBondContact N-O 3.26Å
314	N	97.8	Very high	97.6	Very high	48 Å²	48	55 Å²	55	26%	0.257	29%	0.29	S	S	.	.	S	Bend	trans	-109.9	-1.5	177	-165.1	58.5	0	0	0	113.8	N247 A249 L308 R311 Y312	N247-N314 PolarHBondContact ND2-OD1 3.45Å; A249-N314 HydrophobicContact CB-CB 3.81Å; L308-N314 PolarHBondContact O-ND2 3.26Å; R311-N314 PolarHBondContact O-N 2.49Å; Y312-N314 PolarHBondContact O-N 3.02Å
315	L	97.3	Very high	97.6	Very high	53 Å²	53	55.2 Å²	55.2	28%	0.277	29%	0.291	S	S	.	.	S	Bend	trans	-82.5	177.4	177.1	-50.4	-172.8	0	0	0	111.5	T309 R311 Y312 N317 G318 D321	T309-L315 WeakPolarHBondContact O-CD2 3.48Å; R311-L315 WeakPolarHBondContact O-CG 3.48Å; Y312-L315 HydrophobicContact CD1-CD1 4.01Å; Y312-L315 HydrophobicContact CE1-CD1 4.3Å; L315-N317 VanDerWaalsContact C-N 3.25Å; L315-N317 PolarHBondContact O-N 3.46Å; L315-G318 WeakPolarHBondContact O-CA 3.38Å; L315-G318 PolarHBondContact O-N 2.92Å; L315-D321 WeakPolarHBondContact CB-OD2 3.35Å
316	K	96	Very high	97.6	Very high	212 Å²	212	60.5 Å²	60.5	92%	0.922	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.4	179.9	-172.5	179.8	177.4	-175.5	0	113.4	G318	K316-G318 VanDerWaalsContact C-N 3.27Å
317	N	95.3	Very high	97.7	Very high	106 Å²	106	58 Å²	58	57%	0.567	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.1	177.8	-56.7	-28.8	0	0	0	112.7	L315 V319 A320 D321	L315-N317 VanDerWaalsContact C-N 3.25Å; L315-N317 PolarHBondContact O-N 3.46Å; N317-V319 PolarHBondContact O-N 3.1Å; N317-A320 HydrophobicContact CB-CB 4.36Å; N317-A320 VanDerWaalsContact O-CB 3.29Å; N317-A320 WeakPolarHBondContact O-CB 3.48Å; N317-A320 PolarHBondContact O-N 3.4Å; N317-A320 VanDerWaalsContact O-N 3.16Å; N317-D321 VanDerWaalsContact CB-OD1 3.3Å; N317-D321 WeakPolarHBondContact CB-OD1 3.46Å; N317-D321 PolarHBondContact ND2-OD1 2.91Å
318	G	96.1	Very high	97.8	Very high	19 Å²	19	55.6 Å²	55.6	20%	0.196	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	-129	178.2	0	0	0	0	0	112.9	G313 L315 K316 A320 D321	G313-G318 WeakPolarHBondContact CA-O 3.19Å; G313-G318 PolarHBondContact N-O 3.26Å; L315-G318 WeakPolarHBondContact O-CA 3.38Å; L315-G318 PolarHBondContact O-N 2.92Å; K316-G318 VanDerWaalsContact C-N 3.27Å; G318-A320 PolarHBondContact O-N 2.91Å; G318-D321 PolarHBondContact O-N 3.35Å
319	V	97.1	Very high	97.7	Very high	26 Å²	26	56 Å²	56	16%	0.158	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19	-178.7	68.5	0	0	0	0	113.2	V182 E186 W252 N317 D321 I322 K323	V182-V319 HydrophobicContact CG1-CG2 3.79Å; E186-V319 HydrophobicContact CB-CG2 4.35Å; E186-V319 HydrophobicContact CG-CG1 4.01Å; E186-V319 VanDerWaalsContact OE1-CG1 3.26Å; E186-V319 WeakPolarHBondContact OE1-CG1 3.31Å; W252-V319 HydrophobicContact CH2-CB 4.25Å; W252-V319 HydrophobicContact CH2-CG2 3.51Å; W252-V319 HydrophobicContact CZ2-CB 4.11Å; W252-V319 HydrophobicContact CZ2-CG2 3.89Å; W252-V319 HydrophobicContact CZ3-CG2 4.3Å; N317-V319 PolarHBondContact O-N 3.1Å; V319-D321 PolarHBondContact O-N 2.94Å; V319-I322 WeakPolarHBondContact O-CA 3.17Å; V319-I322 WeakPolarHBondContact O-CB 3.3Å; V319-I322 PolarHBondContact O-N 3.48Å; V319-K323 HydrophobicContact CG1-CD 4.29Å; V319-K323 HydrophobicContact CG2-CD 4.01Å; V319-K323 HydrophobicContact CG2-CG 4.14Å; V319-K323 PolarHBondContact O-N 3.48Å
320	A	96.9	Very high	97.7	Very high	35 Å²	35	55.5 Å²	55.5	29%	0.289	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-29.7	179.7	0	0	0	0	0	112.5	N317 G318 I322 K323 N324	N317-A320 HydrophobicContact CB-CB 4.36Å; N317-A320 VanDerWaalsContact O-CB 3.29Å; N317-A320 WeakPolarHBondContact O-CB 3.48Å; N317-A320 PolarHBondContact O-N 3.4Å; N317-A320 VanDerWaalsContact O-N 3.16Å; G318-A320 PolarHBondContact O-N 2.91Å; A320-I322 PolarHBondContact O-N 2.86Å; A320-K323 PolarHBondContact O-N 3.38Å; A320-N324 VanDerWaalsContact O-CB 3.27Å; A320-N324 WeakPolarHBondContact O-CB 3.49Å; A320-N324 PolarHBondContact O-N 3.19Å; A320-N324 PolarHBondContact O-ND2 3.25Å; A320-N324 VanDerWaalsContact O-ND2 3.15Å
321	D	98.3	Very high	97.7	Very high	30 Å²	30	51.2 Å²	51.2	16%	0.16	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-28.1	174	-67.4	-33.4	0	0	0	111.8	Y312 L315 N317 G318 V319	Y312-D321 HydrophobicContact CD1-CB 4.08Å; Y312-D321 HydrophobicContact CD2-CB 4.02Å; Y312-D321 WeakPolarHBondContact CD2-O 3.39Å; Y312-D321 HydrophobicContact CE1-CB 4.33Å; Y312-D321 HydrophobicContact CE2-CB 4.25Å; Y312-D321 VanDerWaalsContact CE2-O 3.28Å; Y312-D321 WeakPolarHBondContact CE2-O 3.25Å; Y312-D321 HydrophobicContact CG-CB 3.93Å; L315-D321 WeakPolarHBondContact CB-OD2 3.35Å; N317-D321 VanDerWaalsContact CB-OD1 3.3Å; N317-D321 WeakPolarHBondContact CB-OD1 3.46Å; N317-D321 PolarHBondContact ND2-OD1 2.91Å; G318-D321 PolarHBondContact O-N 3.35Å; V319-D321 PolarHBondContact O-N 2.94Å
322	I	98.7	Very high	97.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-82.3	-51.3	174.7	-55.6	172.7	0	0	0	109.6	V182 W252 L255 L303 Y312 V319 A320 N324 H325 F328	V182-I322 HydrophobicContact CG1-CG2 4.49Å; V182-I322 HydrophobicContact CG2-CG2 3.83Å; W252-I322 HydrophobicContact CD2-CD1 3.62Å; W252-I322 HydrophobicContact CE3-CD1 3.25Å; W252-I322 HydrophobicContact CG-CD1 4.23Å; W252-I322 HydrophobicContact CH2-CD1 4.27Å; W252-I322 HydrophobicContact CZ3-CD1 3.61Å; L255-I322 HydrophobicContact CD2-CG2 4.48Å; L303-I322 HydrophobicContact CD2-CD1 3.77Å; L303-I322 HydrophobicContact CD2-CG1 4.07Å; Y312-I322 HydrophobicContact CD2-CG1 4.33Å; V319-I322 WeakPolarHBondContact O-CA 3.17Å; V319-I322 WeakPolarHBondContact O-CB 3.3Å; V319-I322 PolarHBondContact O-N 3.48Å; A320-I322 PolarHBondContact O-N 2.86Å; I322-N324 VanDerWaalsContact C-N 3.29Å; I322-N324 PolarHBondContact O-N 2.87Å; I322-H325 VanDerWaalsContact O-CB 3.25Å; I322-H325 WeakPolarHBondContact O-CB 3.39Å; I322-H325 PolarHBondContact O-N 3.39Å; I322-H325 VanDerWaalsContact O-N 3.12Å; I322-F328 HydrophobicContact CG2-CD2 4.3Å; I322-F328 HydrophobicContact CG2-CE2 3.76Å; I322-F328 VanDerWaalsContact O-CD2 3.31Å; I322-F328 WeakPolarHBondContact O-CD2 3.27Å
323	K	98.2	Very high	97.4	Very high	20 Å²	20	54.9 Å²	54.9	9%	0.087	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-32.7	-173.8	-70.6	174.3	75.5	169.1	0	113.7	V182 E186 V319 A320 W333	V182-K323 HydrophobicContact CG1-CD 4.25Å; V182-K323 HydrophobicContact CG1-CG 3.74Å; E186-K323 IonicContact OE1-NZ 3.76Å; E186-K323 PolarHBondContact OE1-NZ 2.89Å; E186-K323 IonicContact OE2-NZ 3.57Å; E186-K323 PolarHBondContact OE2-NZ 3.33Å; V319-K323 HydrophobicContact CG1-CD 4.29Å; V319-K323 HydrophobicContact CG2-CD 4.01Å; V319-K323 HydrophobicContact CG2-CG 4.14Å; V319-K323 PolarHBondContact O-N 3.48Å; A320-K323 PolarHBondContact O-N 3.38Å; K323-W333 VanDerWaalsContact CA-CZ2 3.42Å; K323-W333 HydrophobicContact CB-CD2 4.44Å; K323-W333 HydrophobicContact CB-CH2 4.39Å; K323-W333 HydrophobicContact CB-CZ2 3.72Å; K323-W333 HydrophobicContact CD-CD2 4.44Å; K323-W333 HydrophobicContact CG-CD2 4.11Å; K323-W333 HydrophobicContact CG-CE3 4.29Å; K323-W333 HydrophobicContact CG-CH2 3.88Å; K323-W333 HydrophobicContact CG-CZ2 3.69Å; K323-W333 HydrophobicContact CG-CZ3 4.16Å; K323-W333 WeakPolarHBondContact O-CZ2 3.35Å; K323-W333 PolarHBondContact O-NE1 3.37Å
324	N	97.8	Very high	97.3	Very high	107 Å²	107	57.5 Å²	57.5	57%	0.572	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	0.4	179.6	-62.8	-41.7	0	0	0	113.4	A320 I322	A320-N324 VanDerWaalsContact O-CB 3.27Å; A320-N324 WeakPolarHBondContact O-CB 3.49Å; A320-N324 PolarHBondContact O-N 3.19Å; A320-N324 PolarHBondContact O-ND2 3.25Å; A320-N324 VanDerWaalsContact O-ND2 3.15Å; I322-N324 VanDerWaalsContact C-N 3.29Å; I322-N324 PolarHBondContact O-N 2.87Å
325	H	98.7	Very high	97.2	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.06	31%	0.309	C	S	.	.	S	Bend	trans	-63.2	143	178.5	-171.8	-91.8	0	0	0	111	E295 D298 L299 Y312 I322 W327 F328 G329	E295-H325 PolarHBondContact O-CE1 3.28Å; D298-H325 IonicContact OD2-NE2 3.19Å; D298-H325 PolarHBondContact OD2-NE2 3.43Å; L299-H325 HydrophobicContact CD1-CB 4.14Å; Y312-H325 AromaticContact CE2-CD2 3.84Å; I322-H325 VanDerWaalsContact O-CB 3.25Å; I322-H325 WeakPolarHBondContact O-CB 3.39Å; I322-H325 PolarHBondContact O-N 3.39Å; I322-H325 VanDerWaalsContact O-N 3.12Å; H325-W327 WeakPolarHBondContact ND1-CB 3.38Å; H325-W327 PolarHBondContact ND1-N 3.11Å; H325-W327 VanDerWaalsContact ND1-N 3.1Å; H325-W327 PolarHBondContact O-N 3.03Å; H325-W327 VanDerWaalsContact O-N 3.08Å; H325-F328 CarbonylContact O-C 3.57Å; H325-F328 WeakPolarHBondContact O-CA 3.34Å; H325-F328 PolarHBondContact O-N 2.7Å; H325-G329 PolarHBondContact O-N 3.23Å
326	K	98.5	Very high	97.2	Very high	166 Å²	166	53.4 Å²	53.4	72%	0.722	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-55	-33.3	-176.5	-69	-177.3	-179.5	178.2	0	113.6	E295 F328 G329	E295-K326 HydrophobicContact CG-CB 4.02Å; K326-F328 PolarHBondContact O-N 3Å; K326-G329 WeakPolarHBondContact O-CA 3.44Å; K326-G329 PolarHBondContact O-N 2.95Å
327	W	98.8	Very high	97.2	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-61.7	-29.8	176.2	-167.7	75.7	0	0	0	112.9	E171 R175 A178 I259 E295 L296 L299 H325	E171-W327 HydrophobicContact CB-CZ2 4.36Å; E171-W327 PolarHBondContact OE2-NE1 2.96Å; R175-W327 HydrophobicContact CB-CE3 4.43Å; R175-W327 HydrophobicContact CB-CH2 3.59Å; R175-W327 HydrophobicContact CB-CZ2 3.95Å; R175-W327 HydrophobicContact CB-CZ3 3.84Å; R175-W327 WeakPolarHBondContact CD-O 3.36Å; R175-W327 HydrophobicContact CG-CE3 4.15Å; R175-W327 HydrophobicContact CG-CH2 4.18Å; R175-W327 HydrophobicContact CG-CZ3 3.9Å; R175-W327 PolarHBondContact NE-O 3.43Å; A178-W327 HydrophobicContact CB-CH2 4.38Å; A178-W327 HydrophobicContact CB-CZ3 4.08Å; I259-W327 HydrophobicContact CD1-CZ3 4.35Å; I259-W327 HydrophobicContact CG2-CH2 3.9Å; I259-W327 HydrophobicContact CG2-CZ2 4.36Å; I259-W327 HydrophobicContact CG2-CZ3 4.31Å; E295-W327 HydrophobicContact CB-CB 4.03Å; E295-W327 HydrophobicContact CB-CG 4.47Å; L296-W327 HydrophobicContact CD1-CD2 4.3Å; L296-W327 HydrophobicContact CD1-CZ2 3.89Å; L299-W327 HydrophobicContact CB-CB 4.35Å; L299-W327 HydrophobicContact CD2-CB 4.13Å; L299-W327 HydrophobicContact CD2-CD2 3.95Å; L299-W327 HydrophobicContact CD2-CE3 3.42Å; L299-W327 VanDerWaalsContact CD2-CE3 3.42Å; L299-W327 HydrophobicContact CD2-CG 4.27Å; L299-W327 HydrophobicContact CD2-CZ3 4.07Å; H325-W327 WeakPolarHBondContact ND1-CB 3.38Å; H325-W327 PolarHBondContact ND1-N 3.11Å; H325-W327 VanDerWaalsContact ND1-N 3.1Å; H325-W327 PolarHBondContact O-N 3.03Å; H325-W327 VanDerWaalsContact O-N 3.08Å
328	F	98.7	Very high	97.2	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-93.6	13.4	171.1	-72.1	-73.4	0	0	0	112.8	R175 A178 A179 V182 L299 I322 H325 K326 S330 T331 W333	R175-F328 HydrophobicContact CG-CD1 3.71Å; R175-F328 HydrophobicContact CG-CE1 3.9Å; A178-F328 HydrophobicContact CB-CE1 4.05Å; A178-F328 HydrophobicContact CB-CZ 3.85Å; A179-F328 HydrophobicContact CB-CE1 4.19Å; V182-F328 HydrophobicContact CG2-CZ 4.18Å; L299-F328 HydrophobicContact CD2-CD2 4.22Å; L299-F328 HydrophobicContact CD2-CE2 3.71Å; L299-F328 HydrophobicContact CD2-CZ 4.48Å; I322-F328 HydrophobicContact CG2-CD2 4.3Å; I322-F328 HydrophobicContact CG2-CE2 3.76Å; I322-F328 VanDerWaalsContact O-CD2 3.31Å; I322-F328 WeakPolarHBondContact O-CD2 3.27Å; H325-F328 CarbonylContact O-C 3.57Å; H325-F328 WeakPolarHBondContact O-CA 3.34Å; H325-F328 PolarHBondContact O-N 2.7Å; K326-F328 PolarHBondContact O-N 3Å; F328-S330 PolarHBondContact O-N 2.79Å; F328-S330 VanDerWaalsContact O-N 3.07Å; F328-T331 HydrophobicContact CD1-CG2 4.38Å; F328-T331 VanDerWaalsContact O-CB 3.27Å; F328-T331 WeakPolarHBondContact O-CB 3.46Å; F328-T331 PolarHBondContact O-N 2.9Å; F328-T331 PolarHBondContact O-OG1 3.47Å; F328-W333 HydrophobicContact CB-CH2 4.42Å; F328-W333 HydrophobicContact CB-CZ2 3.76Å; F328-W333 AromaticContact CD1-CH2 3.68Å; F328-W333 HydrophobicContact CD1-CH2 3.68Å; F328-W333 AromaticContact CD1-CZ2 3.86Å; F328-W333 HydrophobicContact CD1-CZ2 3.86Å; F328-W333 HydrophobicContact CD2-CH2 4.34Å; F328-W333 HydrophobicContact CD2-CZ2 4.34Å; F328-W333 AromaticContact CE1-CH2 3.91Å; F328-W333 HydrophobicContact CE1-CH2 3.91Å; F328-W333 AromaticContact CG-CH2 3.92Å; F328-W333 HydrophobicContact CG-CH2 3.92Å; F328-W333 AromaticContact CG-CZ2 3.75Å; F328-W333 HydrophobicContact CG-CZ2 3.75Å; F328-W333 HydrophobicContact CZ-CH2 4.32Å
329	G	97.2	Very high	97.2	Very high	63 Å²	63	49 Å²	49	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.7	-172.4	0	0	0	0	0	114.9	H325 K326	H325-G329 PolarHBondContact O-N 3.23Å; K326-G329 WeakPolarHBondContact O-CA 3.44Å; K326-G329 PolarHBondContact O-N 2.95Å
330	S	95.8	Very high	97.2	Very high	97 Å²	97	54.8 Å²	54.8	68%	0.678	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	4	174.9	58.9	0	0	0	0	114.3	F328	F328-S330 PolarHBondContact O-N 2.79Å; F328-S330 VanDerWaalsContact O-N 3.07Å
331	T	98	Very high	97.3	Very high	23 Å²	23	56.1 Å²	56.1	14%	0.141	29%	0.293	C	S	.	.			trans	-86.2	117.7	-176.5	-62.2	0	0	0	0	111.2	R175 A179 F328 W333 I336	R175-T331 WeakPolarHBondContact CD-OG1 3.29Å; A179-T331 HydrophobicContact CB-CG2 3.79Å; F328-T331 HydrophobicContact CD1-CG2 4.38Å; F328-T331 VanDerWaalsContact O-CB 3.27Å; F328-T331 WeakPolarHBondContact O-CB 3.46Å; F328-T331 PolarHBondContact O-N 2.9Å; F328-T331 PolarHBondContact O-OG1 3.47Å; T331-W333 HydrophobicContact CG2-CD2 3.99Å; T331-W333 HydrophobicContact CG2-CE3 4.17Å; T331-W333 HydrophobicContact CG2-CH2 4.24Å; T331-W333 HydrophobicContact CG2-CZ2 4.02Å; T331-W333 HydrophobicContact CG2-CZ3 4.31Å; T331-W333 PolarHBondContact O-N 3.39Å; T331-I336 HydrophobicContact CG2-CG1 4.3Å
332	D	96.6	Very high	97.2	Very high	88 Å²	88	63.4 Å²	63.4	47%	0.471	33%	0.326	S	S	.	.			trans	-86.4	101.9	165.6	-175.7	-23	0	0	0	109.8	I334 A335 I336	D332-I334 VanDerWaalsContact C-N 3.32Å; D332-I334 PolarHBondContact O-N 3.02Å; D332-I334 PolarHBondContact OD1-N 3.21Å; D332-A335 HydrophobicContact CB-CB 3.82Å; D332-A335 VanDerWaalsContact CG-CB 3.42Å; D332-A335 PolarHBondContact O-N 2.8Å; D332-A335 PolarHBondContact OD1-N 3.18Å; D332-I336 VanDerWaalsContact O-CG1 3.29Å; D332-I336 WeakPolarHBondContact O-CG1 3.13Å; D332-I336 PolarHBondContact O-N 2.85Å
333	W	96.2	Very high	97.2	Very high	33 Å²	33	64 Å²	64	13%	0.125	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-35.7	-178	-61.9	100.8	0	0	0	113.4	A179 V182 L183 K323 F328 T331 Y337	A179-W333 HydrophobicContact CB-CE3 4.41Å; A179-W333 HydrophobicContact CB-CH2 4.25Å; A179-W333 HydrophobicContact CB-CZ3 3.8Å; V182-W333 HydrophobicContact CB-CH2 4.12Å; V182-W333 HydrophobicContact CB-CZ3 3.83Å; V182-W333 HydrophobicContact CG1-CH2 3.85Å; V182-W333 HydrophobicContact CG1-CZ3 3.67Å; V182-W333 HydrophobicContact CG2-CH2 4.41Å; L183-W333 HydrophobicContact CD1-CE3 4.21Å; L183-W333 HydrophobicContact CD2-CE3 3.94Å; L183-W333 HydrophobicContact CG-CE3 3.88Å; L183-W333 HydrophobicContact CG-CZ3 4.31Å; K323-W333 VanDerWaalsContact CA-CZ2 3.42Å; K323-W333 HydrophobicContact CB-CD2 4.44Å; K323-W333 HydrophobicContact CB-CH2 4.39Å; K323-W333 HydrophobicContact CB-CZ2 3.72Å; K323-W333 HydrophobicContact CD-CD2 4.44Å; K323-W333 HydrophobicContact CG-CD2 4.11Å; K323-W333 HydrophobicContact CG-CE3 4.29Å; K323-W333 HydrophobicContact CG-CH2 3.88Å; K323-W333 HydrophobicContact CG-CZ2 3.69Å; K323-W333 HydrophobicContact CG-CZ3 4.16Å; K323-W333 WeakPolarHBondContact O-CZ2 3.35Å; K323-W333 PolarHBondContact O-NE1 3.37Å; F328-W333 HydrophobicContact CB-CH2 4.42Å; F328-W333 HydrophobicContact CB-CZ2 3.76Å; F328-W333 AromaticContact CD1-CH2 3.68Å; F328-W333 HydrophobicContact CD1-CH2 3.68Å; F328-W333 AromaticContact CD1-CZ2 3.86Å; F328-W333 HydrophobicContact CD1-CZ2 3.86Å; F328-W333 HydrophobicContact CD2-CH2 4.34Å; F328-W333 HydrophobicContact CD2-CZ2 4.34Å; F328-W333 AromaticContact CE1-CH2 3.91Å; F328-W333 HydrophobicContact CE1-CH2 3.91Å; F328-W333 AromaticContact CG-CH2 3.92Å; F328-W333 HydrophobicContact CG-CH2 3.92Å; F328-W333 AromaticContact CG-CZ2 3.75Å; F328-W333 HydrophobicContact CG-CZ2 3.75Å; F328-W333 HydrophobicContact CZ-CH2 4.32Å; T331-W333 HydrophobicContact CG2-CD2 3.99Å; T331-W333 HydrophobicContact CG2-CE3 4.17Å; T331-W333 HydrophobicContact CG2-CH2 4.24Å; T331-W333 HydrophobicContact CG2-CZ2 4.02Å; T331-W333 HydrophobicContact CG2-CZ3 4.31Å; T331-W333 PolarHBondContact O-N 3.39Å; W333-Y337 WeakPolarHBondContact O-CB 3.1Å; W333-Y337 PolarHBondContact O-N 3.3Å
334	I	94.8	Very high	97.1	Very high	61 Å²	61	66.2 Å²	66.2	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-74.1	-43.6	-179.6	-63.4	-178.2	0	0	0	109.4	A42 D332 I336 Y337 Q338	A42-I334 HydrophobicContact CB-CD1 3.84Å; D332-I334 VanDerWaalsContact C-N 3.32Å; D332-I334 PolarHBondContact O-N 3.02Å; D332-I334 PolarHBondContact OD1-N 3.21Å; I334-I336 VanDerWaalsContact C-N 3.32Å; I334-I336 PolarHBondContact O-N 3.46Å; I334-Y337 PolarHBondContact O-N 2.73Å; I334-Q338 HydrophobicContact CG2-CG 4.25Å; I334-Q338 WeakPolarHBondContact O-CB 3.5Å; I334-Q338 WeakPolarHBondContact O-CG 3.48Å; I334-Q338 PolarHBondContact O-N 2.85Å
335	A	96.2	Very high	97	Very high	10 Å²	10	63.3 Å²	63.3	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-37.2	176.7	0	0	0	0	0	112.1	D332 K339 K340 I341	D332-A335 HydrophobicContact CB-CB 3.82Å; D332-A335 VanDerWaalsContact CG-CB 3.42Å; D332-A335 PolarHBondContact O-N 2.8Å; D332-A335 PolarHBondContact OD1-N 3.18Å; A335-K339 PolarHBondContact O-N 3.42Å; A335-K340 HydrophobicContact CB-CB 4.23Å; A335-K340 PolarHBondContact O-N 3.23Å; A335-I341 HydrophobicContact CB-CD1 3.55Å; A335-I341 HydrophobicContact CB-CG1 3.81Å
336	I	97.3	Very high	96.9	Very high	6 Å²	6	68 Å²	68	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-53.9	171.4	-68.4	-72.1	0	0	0	109.9	F133 F176 A179 Q180 L183 T331 D332 I334 Q338 K339 I341	F133-I336 HydrophobicContact CE2-CG2 4.14Å; F133-I336 HydrophobicContact CZ-CG2 3.88Å; F133-I336 WeakPolarHBondContact CZ-O 3.34Å; F176-I336 HydrophobicContact CD2-CD1 3.63Å; F176-I336 HydrophobicContact CE2-CD1 3.83Å; A179-I336 HydrophobicContact CB-CG1 4.3Å; A179-I336 HydrophobicContact CB-CG2 4.35Å; Q180-I336 HydrophobicContact CG-CG2 3.73Å; L183-I336 HydrophobicContact CD1-CB 4.21Å; L183-I336 HydrophobicContact CD1-CG2 3.73Å; T331-I336 HydrophobicContact CG2-CG1 4.3Å; D332-I336 VanDerWaalsContact O-CG1 3.29Å; D332-I336 WeakPolarHBondContact O-CG1 3.13Å; D332-I336 PolarHBondContact O-N 2.85Å; I334-I336 VanDerWaalsContact C-N 3.32Å; I334-I336 PolarHBondContact O-N 3.46Å; I336-Q338 VanDerWaalsContact C-N 3.29Å; I336-Q338 PolarHBondContact O-N 3.48Å; I336-K339 WeakPolarHBondContact O-CA 3.39Å; I336-K339 PolarHBondContact O-N 2.9Å; I336-I341 HydrophobicContact CD1-CB 3.93Å; I336-I341 HydrophobicContact CD1-CG1 3.72Å; I336-I341 HydrophobicContact CD1-CG2 4.23Å; I336-I341 HydrophobicContact CG1-CG1 4.07Å
337	Y	95.8	Very high	96.7	Very high	75 Å²	75	60.6 Å²	60.6	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-54.6	-43.2	179.5	173.6	-101.3	0	0	0	112.7	F49 F131 P132 W333 I334 K339	F49-Y337 HydrophobicContact CE1-CE2 4.38Å; F49-Y337 HydrophobicContact CE2-CE2 4.4Å; F49-Y337 AromaticContact CE2-CZ 3.88Å; F49-Y337 WeakPolarHBondContact CE2-OH 3.4Å; F49-Y337 AromaticContact CZ-CE2 3.96Å; F49-Y337 HydrophobicContact CZ-CE2 3.96Å; F49-Y337 AromaticContact CZ-CZ 3.92Å; F49-Y337 WeakPolarHBondContact CZ-OH 3.24Å; F131-Y337 HydrophobicContact CD2-CE2 4.27Å; F131-Y337 AromaticContact CE2-CD2 3.99Å; F131-Y337 HydrophobicContact CE2-CD2 3.99Å; F131-Y337 AromaticContact CE2-CE2 3.59Å; F131-Y337 HydrophobicContact CE2-CE2 3.59Å; F131-Y337 AromaticContact CZ-CD2 3.92Å; F131-Y337 HydrophobicContact CZ-CD2 3.92Å; F131-Y337 HydrophobicContact CZ-CE2 4Å; P132-Y337 HydrophobicContact CG-CD2 4.03Å; P132-Y337 HydrophobicContact CG-CE2 3.55Å; W333-Y337 WeakPolarHBondContact O-CB 3.1Å; W333-Y337 PolarHBondContact O-N 3.3Å; I334-Y337 PolarHBondContact O-N 2.73Å; Y337-K339 PolarHBondContact O-N 3.47Å
338	Q	95.4	Very high	96.5	Very high	99 Å²	99	69 Å²	69	46%	0.463	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4	179.1	-66.9	-179.6	-11.5	0	0	113.8	I334 I336 K340	I334-Q338 HydrophobicContact CG2-CG 4.25Å; I334-Q338 WeakPolarHBondContact O-CB 3.5Å; I334-Q338 WeakPolarHBondContact O-CG 3.48Å; I334-Q338 PolarHBondContact O-N 2.85Å; I336-Q338 VanDerWaalsContact C-N 3.29Å; I336-Q338 PolarHBondContact O-N 3.48Å; Q338-K340 VanDerWaalsContact C-N 3.28Å; Q338-K340 HydrophobicContact CB-CD 4.01Å; Q338-K340 HydrophobicContact CB-CG 3.94Å; Q338-K340 PolarHBondContact O-N 3.31Å
339	K	97.2	Very high	96.2	Very high	69 Å²	69	70.9 Å²	70.9	30%	0.3	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	40.1	-174.8	-60.5	-167.7	173.9	-170.7	0	114.1	F133 D206 Y210 A335 I336 Y337	F133-K339 HydrophobicContact CE1-CG 4.22Å; D206-K339 IonicContact OD2-NZ 3.88Å; D206-K339 PolarHBondContact OD2-NZ 2.95Å; Y210-K339 HydrophobicContact CD1-CD 4.27Å; Y210-K339 HydrophobicContact CD1-CG 3.88Å; Y210-K339 HydrophobicContact CD2-CB 4.25Å; Y210-K339 HydrophobicContact CD2-CD 4.16Å; Y210-K339 HydrophobicContact CD2-CG 4.2Å; Y210-K339 HydrophobicContact CE1-CB 4.16Å; Y210-K339 HydrophobicContact CE1-CG 3.91Å; Y210-K339 HydrophobicContact CE2-CB 3.87Å; Y210-K339 HydrophobicContact CE2-CG 4.23Å; Y210-K339 HydrophobicContact CG-CD 3.97Å; Y210-K339 HydrophobicContact CG-CG 4.03Å; Y210-K339 VanDerWaalsContact CZ-CA 3.45Å; Y210-K339 VanDerWaalsContact OH-C 3.27Å; Y210-K339 VanDerWaalsContact OH-CA 3.27Å; Y210-K339 WeakPolarHBondContact OH-CA 3.47Å; A335-K339 PolarHBondContact O-N 3.42Å; I336-K339 WeakPolarHBondContact O-CA 3.39Å; I336-K339 PolarHBondContact O-N 2.9Å; Y337-K339 PolarHBondContact O-N 3.47Å
340	K	97.2	Very high	95.9	Very high	148 Å²	148	78.6 Å²	78.6	64%	0.643	38%	0.383	S	S	*	.			trans	-98.1	-5.9	-178.1	-71.2	-178.6	175.1	171.6	0	114.5	Y210 A335 Q338	Y210-K340 PolarHBondContact OH-N 3.14Å; A335-K340 HydrophobicContact CB-CB 4.23Å; A335-K340 PolarHBondContact O-N 3.23Å; Q338-K340 VanDerWaalsContact C-N 3.28Å; Q338-K340 HydrophobicContact CB-CD 4.01Å; Q338-K340 HydrophobicContact CB-CG 3.94Å; Q338-K340 PolarHBondContact O-N 3.31Å
341	I	97.3	Very high	95.7	Very high	64 Å²	64	75.3 Å²	75.3	33%	0.328	37%	0.365	S	S	.	.	S	Bend	trans	-88.9	133.4	177.6	-59.1	-58.7	0	0	0	108.3	F176 Y210 A335 I336 A343	F176-I341 HydrophobicContact CD2-CG2 3.99Å; F176-I341 HydrophobicContact CE2-CB 4.17Å; F176-I341 HydrophobicContact CE2-CG2 4.01Å; Y210-I341 PolarHBondContact OH-N 3.3Å; Y210-I341 PolarHBondContact OH-O 2.81Å; A335-I341 HydrophobicContact CB-CD1 3.55Å; A335-I341 HydrophobicContact CB-CG1 3.81Å; I336-I341 HydrophobicContact CD1-CB 3.93Å; I336-I341 HydrophobicContact CD1-CG1 3.72Å; I336-I341 HydrophobicContact CD1-CG2 4.23Å; I336-I341 HydrophobicContact CG1-CG1 4.07Å; I341-A343 PolarHBondContact O-N 3.21Å
342	E	97.6	Very high	95.3	Very high	183 Å²	183	79.2 Å²	79.2	86%	0.855	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-61.3	124.9	174.1	-173.2	177.5	-178.2	0	0	110
343	A	97.9	Very high	95.2	Very high	13 Å²	13	76.2 Å²	76.2	11%	0.107	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-71.2	134.6	-179.2	0	0	0	0	0	110.4	F176 T208 I341 F345 L346	F176-A343 HydrophobicContact CE1-CB 4.09Å; F176-A343 HydrophobicContact CZ-CB 3.86Å; T208-A343 VanDerWaalsContact O-CB 3.24Å; T208-A343 WeakPolarHBondContact O-CB 3.15Å; I341-A343 PolarHBondContact O-N 3.21Å; A343-F345 PolarHBondContact O-N 3.06Å; A343-F345 VanDerWaalsContact O-N 3.14Å; A343-L346 HydrophobicContact CB-CD2 4.2Å
344	P	96.8	Very high	95.2	Very high	66 Å²	66	75.7 Å²	75.7	43%	0.429	38%	0.379	S	S	.	.	S	Bend	trans	-67.3	-13.9	180	28.5	-37	0	0	0	113.7	H173 F176	H173-P344 HydrophobicContact CB-CB 4.14Å; H173-P344 HydrophobicContact CB-CG 4.24Å; H173-P344 WeakPolarHBondContact CD2-CG 3.49Å; F176-P344 HydrophobicContact CB-CG 4.15Å; F176-P344 HydrophobicContact CD1-CG 3.76Å; F176-P344 HydrophobicContact CE1-CG 4.39Å; F176-P344 HydrophobicContact CG-CG 4.05Å
345	F	95.6	Very high	95.2	Very high	45 Å²	45	73.3 Å²	73.3	20%	0.197	37%	0.369	C	S	.	.			trans	-147.7	130.2	179.6	170.3	-101.8	0	0	0	109.8	H162 I205 G209 A343 P347	H162-F345 HydrophobicContact CB-CE1 4.49Å; H162-F345 AromaticContact CE1-CE1 3.74Å; H162-F345 AromaticContact CE1-CZ 3.56Å; H162-F345 AromaticContact CG-CE1 3.81Å; H162-F345 AromaticContact CG-CZ 3.94Å; H162-F345 AromaticContact ND1-CE1 3.66Å; H162-F345 AromaticContact ND1-CZ 3.34Å; H162-F345 VanDerWaalsContact ND1-CZ 3.34Å; H162-F345 WeakPolarHBondContact ND1-CZ 3.43Å; H162-F345 AromaticContact NE2-CE1 3.96Å; I205-F345 HydrophobicContact CD1-CD1 4.08Å; I205-F345 HydrophobicContact CD1-CE1 4.18Å; G209-F345 VanDerWaalsContact CA-O 3.28Å; G209-F345 WeakPolarHBondContact CA-O 3.17Å; A343-F345 PolarHBondContact O-N 3.06Å; A343-F345 VanDerWaalsContact O-N 3.14Å; F345-P347 HydrophobicContact CE1-CB 3.99Å; F345-P347 HydrophobicContact CZ-CB 4.3Å
346	L	95.9	Very high	95.1	Very high	112 Å²	112	75.9 Å²	75.9	59%	0.586	39%	0.386	S	S	*	.			trans	-112.8	120.1	172.1	-65.1	176.7	0	0	0	109	T208 A343	T208-L346 VanDerWaalsContact C-CD2 3.45Å; T208-L346 WeakPolarHBondContact O-CD2 3.44Å; A343-L346 HydrophobicContact CB-CD2 4.2Å
347	P	94.4	Very high	95	Very high	11 Å²	11	77 Å²	77	7%	0.071	39%	0.392	C	S	.	.			trans	-67.4	150	175.9	28.8	-33.3	0	0	0	110.5	I205 D206 F345 C349	I205-P347 HydrophobicContact CG2-CG 4.03Å; D206-P347 WeakPolarHBondContact O-CD 3.35Å; D206-P347 VanDerWaalsContact O-CG 3.25Å; D206-P347 WeakPolarHBondContact O-CG 3.32Å; F345-P347 HydrophobicContact CE1-CB 3.99Å; F345-P347 HydrophobicContact CZ-CB 4.3Å; P347-C349 PolarHBondContact O-N 3.49Å
348	K	93.8	Very high	94.8	Very high	180 Å²	180	74.6 Å²	74.6	78%	0.783	38%	0.384	S	S	*	.			trans	-74.3	114.4	173.3	-67.8	-178.9	-179.9	178.7	0	108.4	N357	K348-N357 PolarHBondContact O-ND2 3.49Å
349	C	92.6	Very high	94.6	Very high	43 Å²	43	74.9 Å²	74.9	29%	0.291	39%	0.388	S	S	.	.			trans	-128.4	118	175.4	-57.8	0	0	0	0	109.5	S155 P347 G351 D354	S155-C349 PolarHBondContact OG-SG 3.49Å; S155-C349 VanDerWaalsContact OG-SG 3.32Å; P347-C349 PolarHBondContact O-N 3.49Å; C349-G351 VanDerWaalsContact C-N 3.35Å; C349-D354 WeakPolarHBondContact CA-OD2 3.22Å
350	R	91.5	Very high	94.4	Very high	224 Å²	224	78.3 Å²	78.3	85%	0.845	41%	0.41	S	S	*	.			trans	-81.3	-13.1	-177.6	-58.1	179.2	-164.1	-173.2	4.7	113.5	D354	R350-D354 HydrophobicContact CB-CB 4.34Å; R350-D354 WeakPolarHBondContact CB-OD2 3.41Å; R350-D354 WeakPolarHBondContact CG-OD2 3.44Å; R350-D354 PolarHBondContact N-OD2 2.71Å
351	G	91.6	Very high	94.3	Very high	29 Å²	29	75 Å²	75	30%	0.299	39%	0.394	S	S	.	.	S	Bend	trans	169.6	-179.5	179.3	0	0	0	0	0	113.1	C349 G353 D354	C349-G351 VanDerWaalsContact C-N 3.35Å; G351-G353 VanDerWaalsContact C-N 3.29Å; G351-G353 PolarHBondContact O-N 3.01Å; G351-D354 WeakPolarHBondContact O-CB 3.09Å; G351-D354 PolarHBondContact O-N 3.41Å; G351-D354 VanDerWaalsContact O-N 3.15Å
352	P	90.6	Very high	94	Very high	105 Å²	105	80.1 Å²	80.1	68%	0.682	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.9	-173	-25.5	35.2	0	0	0	115.4	Y99 F153	Y99-P352 HydrophobicContact CD2-CB 3.81Å; Y99-P352 HydrophobicContact CE2-CB 4.08Å; F153-P352 WeakPolarHBondContact CD1-O 3.42Å
353	G	93.8	Very high	93.8	Very high	24 Å²	24	75.6 Å²	75.6	25%	0.247	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	16.8	177.5	0	0	0	0	0	113.9	L90 G351 A355	L90-G353 WeakPolarHBondContact CD2-O 3.27Å; G351-G353 VanDerWaalsContact C-N 3.29Å; G351-G353 PolarHBondContact O-N 3.01Å; G353-A355 PolarHBondContact O-N 3.29Å
354	D	95.5	Very high	93.4	Very high	22 Å²	22	80.9 Å²	80.9	12%	0.118	42%	0.418	C	S	.	.			trans	-72.8	114.5	-179.1	-177.6	14.3	0	0	0	111.1	F153 C349 R350 G351 S356	F153-D354 WeakPolarHBondContact CZ-O 3.34Å; C349-D354 WeakPolarHBondContact CA-OD2 3.22Å; R350-D354 HydrophobicContact CB-CB 4.34Å; R350-D354 WeakPolarHBondContact CB-OD2 3.41Å; R350-D354 WeakPolarHBondContact CG-OD2 3.44Å; R350-D354 PolarHBondContact N-OD2 2.71Å; G351-D354 WeakPolarHBondContact O-CB 3.09Å; G351-D354 PolarHBondContact O-N 3.41Å; G351-D354 VanDerWaalsContact O-N 3.15Å; D354-S356 VanDerWaalsContact CG-OG 3.27Å; D354-S356 WeakPolarHBondContact OD1-CB 3.48Å; D354-S356 PolarHBondContact OD1-N 3.25Å; D354-S356 PolarHBondContact OD1-OG 3.35Å; D354-S356 PolarHBondContact OD2-OG 3.38Å; D354-S356 VanDerWaalsContact OD2-OG 3.09Å
355	A	94.6	Very high	93	Very high	12 Å²	12	82.4 Å²	82.4	10%	0.099	43%	0.427	C	S	.	.			trans	-106.9	21.1	176.5	0	0	0	0	0	112.9	K78 L80 L90 F153 G353 N357 F358	K78-A355 HydrophobicContact CD-CB 4.13Å; L80-A355 HydrophobicContact CD2-CB 3.72Å; L90-A355 HydrophobicContact CD2-CB 4.14Å; F153-A355 HydrophobicContact CZ-CB 4.39Å; G353-A355 PolarHBondContact O-N 3.29Å; A355-N357 PolarHBondContact O-N 3.22Å; A355-F358 HydrophobicContact CB-CD2 4.31Å; A355-F358 PolarHBondContact O-N 3.49Å; A355-F358 VanDerWaalsContact O-N 3.12Å
356	S	94.6	Very high	92.9	Very high	63 Å²	63	82 Å²	82	44%	0.441	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.7	-178.9	62.2	0	0	0	0	114.9	D354 F358	D354-S356 VanDerWaalsContact CG-OG 3.27Å; D354-S356 WeakPolarHBondContact OD1-CB 3.48Å; D354-S356 PolarHBondContact OD1-N 3.25Å; D354-S356 PolarHBondContact OD1-OG 3.35Å; D354-S356 PolarHBondContact OD2-OG 3.38Å; D354-S356 VanDerWaalsContact OD2-OG 3.09Å; S356-F358 VanDerWaalsContact C-N 3.31Å
357	N	94.6	Very high	92.6	Very high	29 Å²	29	86.5 Å²	86.5	16%	0.155	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3.9	171.3	-63.1	-59.9	0	0	0	113.2	S155 K348 A355	S155-N357 PolarHBondContact O-ND2 3.43Å; K348-N357 PolarHBondContact O-ND2 3.49Å; A355-N357 PolarHBondContact O-N 3.22Å
358	F	92.8	Very high	92.7	Very high	26 Å²	26	90 Å²	90	11%	0.114	45%	0.453	C	S	.	.	S	Bend	trans	-115.2	148.1	177.1	-64	-92.6	0	0	0	110.5	K78 L80 F153 I154 A355 S356	K78-F358 PolarHBondContact NZ-O 2.97Å; L80-F358 HydrophobicContact CB-CD1 4.17Å; L80-F358 HydrophobicContact CD2-CB 4.11Å; L80-F358 HydrophobicContact CD2-CD1 4.27Å; L80-F358 HydrophobicContact CD2-CD2 3.91Å; L80-F358 HydrophobicContact CD2-CE2 4.39Å; L80-F358 HydrophobicContact CD2-CG 3.83Å; F153-F358 HydrophobicContact CE2-CD2 4.37Å; F153-F358 AromaticContact CE2-CE2 3.64Å; F153-F358 HydrophobicContact CE2-CE2 3.64Å; F153-F358 HydrophobicContact CE2-CZ 4.06Å; F153-F358 AromaticContact CZ-CE2 3.94Å; F153-F358 HydrophobicContact CZ-CE2 3.94Å; I154-F358 VanDerWaalsContact O-CZ 3.26Å; I154-F358 WeakPolarHBondContact O-CZ 3.13Å; A355-F358 HydrophobicContact CB-CD2 4.31Å; A355-F358 PolarHBondContact O-N 3.49Å; A355-F358 VanDerWaalsContact O-N 3.12Å; S356-F358 VanDerWaalsContact C-N 3.31Å
359	D	91.9	Very high	92.8	Very high	104 Å²	104	82.8 Å²	82.8	56%	0.556	43%	0.426	S	S	*	.			trans	-62.8	162.7	176.8	-64.1	-33.5	0	0	0	112	K78 Y361	K78-D359 WeakPolarHBondContact CE-O 3.41Å; K78-D359 PolarHBondContact NZ-O 3.33Å; D359-Y361 HydrophobicContact CB-CD2 4.48Å; D359-Y361 HydrophobicContact CB-CE2 3.76Å
360	D	92.8	Very high	92.9	Very high	142 Å²	142	84.5 Å²	84.5	76%	0.759	45%	0.451	S	S	*	.			trans	-92.3	131.6	173	-66.5	-49.3	0	0	0	109.6	K78	K78-D360 VanDerWaalsContact CE-OD1 3.26Å; K78-D360 WeakPolarHBondContact CE-OD1 3.34Å; K78-D360 IonicContact NZ-OD1 3.24Å; K78-D360 PolarHBondContact NZ-OD1 3.09Å
361	Y	94.1	Very high	93.2	Very high	77 Å²	77	77.7 Å²	77.7	30%	0.302	44%	0.435	S	S	.	.			trans	-122.3	156	179.2	-66.6	-93.4	0	0	0	109.9	T79 L80 T82 D359 E363	T79-Y361 HydrophobicContact CG2-CD2 4.42Å; T79-Y361 HydrophobicContact CG2-CG 4.15Å; L80-Y361 WeakPolarHBondContact O-CE2 3.31Å; T82-Y361 HydrophobicContact CG2-CD1 3.73Å; T82-Y361 HydrophobicContact CG2-CE1 4.25Å; T82-Y361 HydrophobicContact CG2-CG 4.32Å; D359-Y361 HydrophobicContact CB-CD2 4.48Å; D359-Y361 HydrophobicContact CB-CE2 3.76Å; Y361-E363 PolarHBondContact O-N 3.26Å
362	E	91.7	Very high	93.5	Very high	172 Å²	172	81.6 Å²	81.6	80%	0.804	45%	0.445	S	S	*	.			trans	-68	128.9	173.3	-171.2	176.1	177.9	0	0	110.7	E364	E362-E364 PolarHBondContact O-N 3.23Å
363	E	92.7	Very high	93.8	Very high	88 Å²	88	79.3 Å²	79.3	41%	0.411	42%	0.424	S	S	.	.			trans	-82.3	104.7	-179.5	-64	-60.5	165.8	0	0	111.4	K78 T79 Y361	K78-E363 WeakPolarHBondContact CA-OE1 3.43Å; T79-E363 PolarHBondContact N-OE1 3.44Å; T79-E363 PolarHBondContact N-OE2 2.83Å; T79-E363 PolarHBondContact OG1-OE2 2.67Å; Y361-E363 PolarHBondContact O-N 3.26Å
364	E	88.7	Confident	94	Very high	124 Å²	124	79.4 Å²	79.4	58%	0.579	42%	0.421	S	S	*	.			trans	-86.9	143.9	174.4	-62.1	-173.2	164.2	0	0	112.2	R87 E362 L366	R87-E364 PolarHBondContact NH1-O 3.45Å; R87-E364 PolarHBondContact NH2-O 2.76Å; E362-E364 PolarHBondContact O-N 3.23Å; E364-L366 PolarHBondContact O-N 2.9Å
365	P	90.2	Very high	94	Very high	98 Å²	98	80.3 Å²	80.3	64%	0.636	43%	0.431	S	S	*	.			trans	-67.7	134.3	172.5	26.7	-32.8	0	0	0	111.3	R367	P365-R367 PolarHBondContact O-N 2.95Å
366	L	91.6	Very high	94.1	Very high	37 Å²	37	88.7 Å²	88.7	19%	0.194	47%	0.466	C	S	.	.			trans	-79.3	113.8	174.2	-172.4	65.9	0	0	0	110.3	L71 I104 Y148 E364	L71-L366 HydrophobicContact CD1-CD2 4.23Å; L71-L366 HydrophobicContact CD2-CD2 3.71Å; I104-L366 HydrophobicContact CD1-CD2 4.23Å; I104-L366 HydrophobicContact CG2-CD1 3.77Å; Y148-L366 HydrophobicContact CE1-CD2 4.01Å; Y148-L366 WeakPolarHBondContact OH-CD2 3.42Å; E364-L366 PolarHBondContact O-N 2.9Å
367	R	91.2	Very high	94.3	Very high	207 Å²	207	89.7 Å²	89.7	78%	0.781	46%	0.463	S	S	*	.			trans	-97.2	129.5	179.7	-62.5	-174.2	-177.4	-172.9	1.3	110.9	P365	P365-R367 PolarHBondContact O-N 2.95Å
368	I	95.7	Very high	94.4	Very high	83 Å²	83	88.4 Å²	88.4	43%	0.426	46%	0.456	S	S	.	.			trans	-113.2	121.7	175	-54.8	173.1	0	0	0	107.9	L71 D143 N144	L71-I368 HydrophobicContact CD2-CD1 3.74Å; D143-I368 HydrophobicContact CB-CG2 4.27Å; D143-I368 VanDerWaalsContact OD2-CD1 3.25Å; D143-I368 WeakPolarHBondContact OD2-CD1 3.17Å; D143-I368 WeakPolarHBondContact OD2-CG1 3.1Å; N144-I368 HydrophobicContact CB-CG2 4.1Å
369	S	95.7	Very high	94.6	Very high	29 Å²	29	90 Å²	90	20%	0.203	47%	0.474	C	S	.	.			trans	-65.4	144.1	178.2	167.8	0	0	0	0	110.9	N144 S145 T371 K373	N144-S369 WeakPolarHBondContact CB-O 3.44Å; N144-S369 PolarHBondContact ND2-O 3.01Å; S145-S369 VanDerWaalsContact OG-CB 3.27Å; S145-S369 WeakPolarHBondContact OG-CB 3.16Å; S145-S369 PolarHBondContact OG-N 2.71Å; S369-T371 WeakPolarHBondContact CB-O 3.44Å; S369-T371 PolarHBondContact O-N 3.32Å; S369-T371 PolarHBondContact OG-N 2.96Å; S369-T371 PolarHBondContact OG-O 3.27Å; S369-T371 PolarHBondContact OG-OG1 2.81Å; S369-T371 VanDerWaalsContact OG-OG1 3.11Å; S369-K373 WeakPolarHBondContact OG-CE 3.46Å
370	G	96.2	Very high	94.7	Very high	80 Å²	80	91.5 Å²	91.5	83%	0.825	48%	0.478	S	S	*	.	S	Bend	trans	-69.3	-9.8	169.7	0	0	0	0	0	114.2
371	T	96.6	Very high	94.8	Very high	81 Å²	81	84.9 Å²	84.9	50%	0.497	44%	0.442	S	S	.	.	S	Bend	trans	-122.7	140.6	176.8	52.5	0	0	0	0	110.9	S369 K373	S369-T371 WeakPolarHBondContact CB-O 3.44Å; S369-T371 PolarHBondContact O-N 3.32Å; S369-T371 PolarHBondContact OG-N 2.96Å; S369-T371 PolarHBondContact OG-O 3.27Å; S369-T371 PolarHBondContact OG-OG1 2.81Å; S369-T371 VanDerWaalsContact OG-OG1 3.11Å; T371-K373 PolarHBondContact O-N 3.43Å; T371-K373 PolarHBondContact OG1-NZ 3.1Å
372	E	97.5	Very high	94.9	Very high	110 Å²	110	85.3 Å²	85.3	51%	0.514	45%	0.449	S	S	.	.			trans	-65.7	128.3	179	-166.8	177	-162.6	0	0	111.4	A375	E372-A375 VanDerWaalsContact CD-CB 3.43Å; E372-A375 HydrophobicContact CG-CB 3.92Å; E372-A375 WeakPolarHBondContact OE2-CB 3.46Å
373	K	97.7	Very high	95	Very high	58 Å²	58	80.7 Å²	80.7	25%	0.252	43%	0.431	S	S	.	.			trans	-104.5	140.5	176.2	-54.1	-52.8	-173	-164.2	0	110	K107 Q108 N144 S369 T371 A375	K107-K373 WeakPolarHBondContact CD-O 3.25Å; K107-K373 PolarHBondContact NZ-O 3.16Å; Q108-K373 HydrophobicContact CG-CB 4.05Å; Q108-K373 HydrophobicContact CG-CG 4.28Å; N144-K373 VanDerWaalsContact O-CB 3.29Å; N144-K373 WeakPolarHBondContact O-CB 3.33Å; N144-K373 WeakPolarHBondContact O-CG 3.47Å; N144-K373 PolarHBondContact O-N 2.85Å; S369-K373 WeakPolarHBondContact OG-CE 3.46Å; T371-K373 PolarHBondContact O-N 3.43Å; T371-K373 PolarHBondContact OG1-NZ 3.1Å; K373-A375 PolarHBondContact O-N 3.03Å
374	C	97	Very high	95.2	Very high	26 Å²	26	80.3 Å²	80.3	18%	0.176	43%	0.432	C	S	.	.	S	Bend	trans	53.1	37.4	171.4	-50.2	0	0	0	0	114	K107 V111 K376 E377 F378	K107-C374 HydrophobicContact CB-CB 4.02Å; K107-C374 HydrophobicContact CD-CB 4.42Å; V111-C374 HydrophobicContact CG2-CB 4.06Å; C374-K376 VanDerWaalsContact C-N 3.31Å; C374-K376 PolarHBondContact O-N 2.94Å; C374-E377 WeakPolarHBondContact CA-OE2 3.33Å; C374-E377 HydrophobicContact CB-CB 4.37Å; C374-E377 PolarHBondContact O-N 3.06Å; C374-F378 HydrophobicContact CB-CD2 3.7Å; C374-F378 HydrophobicContact CB-CE2 3.76Å; C374-F378 WeakPolarHBondContact O-CD2 3.46Å; C374-F378 PolarHBondContact O-N 3.17Å
375	A	96.4	Very high	95.5	Very high	40 Å²	40	77.8 Å²	77.8	33%	0.331	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-42	-175.5	0	0	0	0	0	112.1	E372 K373 A379	E372-A375 VanDerWaalsContact CD-CB 3.43Å; E372-A375 HydrophobicContact CG-CB 3.92Å; E372-A375 WeakPolarHBondContact OE2-CB 3.46Å; K373-A375 PolarHBondContact O-N 3.03Å; A375-A379 WeakPolarHBondContact O-CA 3.29Å; A375-A379 PolarHBondContact O-N 3.36Å
376	K	97.1	Very high	95.9	Very high	189 Å²	189	76.5 Å²	76.5	82%	0.822	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-42.6	-178.8	-174.7	-179.6	177.9	-178	0	111.6	C374 F378	C374-K376 VanDerWaalsContact C-N 3.31Å; C374-K376 PolarHBondContact O-N 2.94Å; K376-F378 VanDerWaalsContact C-N 3.31Å; K376-F378 PolarHBondContact O-N 3.32Å
377	E	97.8	Very high	96.2	Very high	84 Å²	84	79.1 Å²	79.1	39%	0.393	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.2	-177.5	-65.2	86.6	163.2	0	0	112.4	V111 V116 C374	V111-E377 HydrophobicContact CG2-CB 4.19Å; V111-E377 HydrophobicContact CG2-CG 4.06Å; V116-E377 HydrophobicContact CG1-CB 4.21Å; V116-E377 WeakPolarHBondContact CG1-O 3.5Å; V116-E377 HydrophobicContact CG2-CB 4.46Å; C374-E377 WeakPolarHBondContact CA-OE2 3.33Å; C374-E377 HydrophobicContact CB-CB 4.37Å; C374-E377 PolarHBondContact O-N 3.06Å
378	F	97.4	Very high	96.5	Very high	1 Å²	1	70 Å²	70	0%	0.004	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	26.3	-177.6	-58.1	-68.7	0	0	0	113.2	K107 V110 V111 V116 L120 K142 L147 C374 K376 E380 F381	K107-F378 HydrophobicContact CB-CD2 4Å; K107-F378 HydrophobicContact CB-CE2 3.72Å; K107-F378 HydrophobicContact CD-CD2 3.96Å; K107-F378 HydrophobicContact CG-CD2 3.78Å; K107-F378 HydrophobicContact CG-CE2 3.93Å; V110-F378 HydrophobicContact CB-CZ 3.85Å; V110-F378 HydrophobicContact CG1-CE1 3.88Å; V110-F378 HydrophobicContact CG1-CZ 3.51Å; V111-F378 HydrophobicContact CG2-CE2 3.75Å; V111-F378 HydrophobicContact CG2-CZ 4.03Å; V116-F378 HydrophobicContact CB-CE1 4.36Å; V116-F378 HydrophobicContact CG1-CD1 4.41Å; V116-F378 HydrophobicContact CG1-CE1 3.95Å; V116-F378 HydrophobicContact CG1-CZ 4.4Å; V116-F378 HydrophobicContact CG2-CE1 4.28Å; V116-F378 HydrophobicContact CG2-CZ 3.98Å; L120-F378 HydrophobicContact CD2-CD1 4.27Å; L120-F378 HydrophobicContact CG-CD1 4.49Å; K142-F378 PolarHBondContact NZ-O 2.86Å; L147-F378 HydrophobicContact CD1-CD1 3.54Å; L147-F378 HydrophobicContact CD1-CD2 4.4Å; L147-F378 HydrophobicContact CD1-CE1 3.58Å; L147-F378 HydrophobicContact CD1-CE2 4.43Å; L147-F378 HydrophobicContact CD1-CG 3.97Å; L147-F378 HydrophobicContact CD1-CZ 4.04Å; L147-F378 HydrophobicContact CD2-CB 3.94Å; L147-F378 HydrophobicContact CD2-CD1 4.27Å; L147-F378 HydrophobicContact CD2-CD2 4.43Å; L147-F378 HydrophobicContact CD2-CG 3.96Å; L147-F378 HydrophobicContact CG-CD1 4.5Å; C374-F378 HydrophobicContact CB-CD2 3.7Å; C374-F378 HydrophobicContact CB-CE2 3.76Å; C374-F378 WeakPolarHBondContact O-CD2 3.46Å; C374-F378 PolarHBondContact O-N 3.17Å; K376-F378 VanDerWaalsContact C-N 3.31Å; K376-F378 PolarHBondContact O-N 3.32Å; F378-E380 VanDerWaalsContact C-N 3.25Å; F378-E380 PolarHBondContact O-N 2.93Å; F378-F381 HydrophobicContact CB-CB 4.11Å; F378-F381 WeakPolarHBondContact O-CB 3.45Å; F378-F381 PolarHBondContact O-N 3.34Å
379	A	96.2	Very high	96.6	Very high	59 Å²	59	69 Å²	69	49%	0.488	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-41.3	179.3	0	0	0	0	0	111.7	K142 A375	K142-A379 PolarHBondContact NZ-O 2.83Å; A375-A379 WeakPolarHBondContact O-CA 3.29Å; A375-A379 PolarHBondContact O-N 3.36Å
380	E	94.1	Very high	96.7	Very high	137 Å²	137	72.3 Å²	72.3	64%	0.64	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.1	-178.7	-61.6	-173.7	176.3	0	0	114.9	Q66 F378	Q66-E380 PolarHBondContact NE2-O 3.08Å; F378-E380 VanDerWaalsContact C-N 3.25Å; F378-E380 PolarHBondContact O-N 2.93Å
381	F	96	Very high	96.7	Very high	3 Å²	3	71.6 Å²	71.6	1%	0.013	38%	0.375	C	S	.	.			trans	-61.9	0	179	-171	-81.5	0	0	0	111.1	T119 L120 K123 F141 K142 L147 M149 F378	T119-F381 HydrophobicContact CG2-CD2 4.49Å; T119-F381 HydrophobicContact CG2-CE2 4.15Å; L120-F381 HydrophobicContact CD2-CB 3.88Å; L120-F381 HydrophobicContact CD2-CD2 4.22Å; K123-F381 HydrophobicContact CB-CD2 4.31Å; K123-F381 HydrophobicContact CB-CE2 3.84Å; K123-F381 HydrophobicContact CB-CZ 4.32Å; K123-F381 WeakPolarHBondContact CD-OXT 3.38Å; K123-F381 WeakPolarHBondContact CE-OXT 2.99Å; K123-F381 HydrophobicContact CG-CD2 4.33Å; K123-F381 HydrophobicContact CG-CE1 4.43Å; K123-F381 HydrophobicContact CG-CE2 3.9Å; K123-F381 HydrophobicContact CG-CZ 3.95Å; K123-F381 PolarHBondContact NZ-OXT 3.06Å; F141-F381 WeakPolarHBondContact O-CE1 3.41Å; K142-F381 HydrophobicContact CB-CD1 4.35Å; K142-F381 HydrophobicContact CD-CB 4.23Å; K142-F381 HydrophobicContact CD-CD1 4.48Å; K142-F381 PolarHBondContact NZ-O 3.49Å; L147-F381 HydrophobicContact CB-CD1 4.36Å; L147-F381 HydrophobicContact CB-CD2 4.25Å; L147-F381 HydrophobicContact CB-CE1 3.92Å; L147-F381 HydrophobicContact CB-CE2 3.79Å; L147-F381 HydrophobicContact CB-CZ 3.61Å; L147-F381 HydrophobicContact CD1-CD2 3.79Å; L147-F381 HydrophobicContact CD1-CE2 3.87Å; L147-F381 HydrophobicContact CD1-CG 4.4Å; L147-F381 HydrophobicContact CD2-CB 4.15Å; L147-F381 HydrophobicContact CD2-CD1 3.89Å; L147-F381 HydrophobicContact CD2-CD2 3.98Å; L147-F381 HydrophobicContact CD2-CE1 4.3Å; L147-F381 HydrophobicContact CD2-CE2 4.38Å; L147-F381 HydrophobicContact CD2-CG 3.72Å; L147-F381 HydrophobicContact CG-CD2 4.22Å; L147-F381 HydrophobicContact CG-CE2 4.22Å; L147-F381 HydrophobicContact CG-CG 4.43Å; L147-F381 HydrophobicContact CG-CZ 4.44Å; M149-F381 HydrophobicContact CG-CZ 3.86Å; F378-F381 HydrophobicContact CB-CB 4.11Å; F378-F381 WeakPolarHBondContact O-CB 3.45Å; F378-F381 PolarHBondContact O-N 3.34Å

Retrieved 381 of 381 residues in 2290.1 ms (Link to these results)

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