X5LQ33_CAEEL Loading...

Ligand-Gated ion Channel

AlphaFold DB , UniProt , Accession X5LQ33, Species CAEEL (Caenorhabditis elegans), Gene lgc-51, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.2	Very low	41.7	Very low	241 Å²	241	147 Å²	147	100%	1.187	77%	0.774	S	S	*	*				0	62.6	0	-178.5	173.3	144.7	0	0	109.6
2	C	43.2	Very low	41.4	Very low	120 Å²	120	144 Å²	144	81%	0.811	77%	0.766	S	S	*	*			trans	-139.2	4.1	-173.2	-61.1	0	0	0	0	115.1
3	L	39.8	Very low	41.1	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	76%	0.759	S	S	*	*	S	Bend	trans	-95.1	-6.5	-171.5	-130.4	94.6	0	0	0	115.2
4	F	42.9	Very low	40.8	Very low	198 Å²	198	146.5 Å²	146.5	87%	0.868	77%	0.771	S	S	*	*	S	Bend	trans	-98.9	-11.2	-172.1	-98.5	-85.7	0	0	0	115.4
5	H	43.6	Very low	40.4	Very low	162 Å²	162	143.6 Å²	143.6	75%	0.75	78%	0.777	S	S	*	*	S	Bend	trans	-84.6	-22.5	-179.7	-95.9	-49.3	0	0	0	114.6	L7 A8	H5-L7 VanDerWaalsContact C-N 3.35Å; H5-L7 PolarHBondContact O-N 2.99Å; H5-A8 PolarHBondContact O-N 3.34Å
6	F	41.2	Very low	40	Very low	177 Å²	177	147.2 Å²	147.2	78%	0.776	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-22.7	-171.2	-119.9	-87.1	0	0	0	114.6
7	L	38.9	Very low	39.7	Very low	138 Å²	138	147.1 Å²	147.1	72%	0.723	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-17.2	-179.9	-79	164.6	0	0	0	114	H5	H5-L7 VanDerWaalsContact C-N 3.35Å; H5-L7 PolarHBondContact O-N 2.99Å
8	A	42.8	Very low	39.6	Very low	62 Å²	62	148.5 Å²	148.5	51%	0.512	79%	0.787	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-23.8	-175.1	0	0	0	0	0	113.9	H5	H5-A8 PolarHBondContact O-N 3.34Å
9	V	40.7	Very low	39.6	Very low	100 Å²	100	145.4 Å²	145.4	61%	0.606	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-84.1	-21.3	-171.1	-177.5	0	0	0	0	112.9	V11	V9-V11 VanDerWaalsContact C-N 3.26Å; V9-V11 PolarHBondContact O-N 3.07Å
10	I	40.3	Very low	39.4	Very low	137 Å²	137	142.5 Å²	142.5	70%	0.703	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-76.5	-12.1	-175.8	-66.2	173.9	0	0	0	112.6
11	V	38.5	Very low	39.5	Very low	119 Å²	119	145.1 Å²	145.1	72%	0.721	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-98.6	-12.2	-166	-176.2	0	0	0	0	114	V9	V9-V11 VanDerWaalsContact C-N 3.26Å; V9-V11 PolarHBondContact O-N 3.07Å
12	T	38.2	Very low	39.6	Very low	111 Å²	111	139.2 Å²	139.2	68%	0.681	77%	0.767	S	S	*	*	S	Bend	trans	-121	5.9	-161.9	49	0	0	0	0	117.2
13	T	38.3	Very low	40.2	Very low	109 Å²	109	139.8 Å²	139.8	67%	0.669	76%	0.758	S	S	*	*	S	Bend	trans	-128.9	33.3	-174.6	52.1	0	0	0	0	116.3
14	F	36.7	Very low	40.9	Very low	214 Å²	214	141.2 Å²	141.2	94%	0.939	76%	0.757	S	S	*	*	S	Bend	trans	-146.8	86.2	160.3	-81.8	-67.5	0	0	0	112.3
15	A	34.2	Very low	42	Very low	103 Å²	103	134.6 Å²	134.6	85%	0.851	73%	0.734	S	S	*	*			trans	180	77.9	154.1	0	0	0	0	0	111.2
16	Q	34.6	Very low	43	Very low	201 Å²	201	133 Å²	133	94%	0.939	74%	0.736	S	S	*	*			trans	-126.9	69.7	155.8	-170.4	168.8	-16.9	0	0	107.8
17	D	34.1	Very low	44	Very low	145 Å²	145	132.7 Å²	132.7	78%	0.775	73%	0.734	S	S	*	*			trans	-85.5	134.9	172.1	-167.2	21.2	0	0	0	108.4
18	E	37.8	Very low	45.3	Very low	173 Å²	173	129.3 Å²	129.3	81%	0.808	72%	0.721	S	S	*	*			trans	-74.5	145.6	179	-69.3	-163	142.2	0	0	110.4	S20	E18-S20 VanDerWaalsContact C-N 3.29Å; E18-S20 PolarHBondContact O-N 3.2Å
19	G	39.6	Very low	46.4	Very low	90 Å²	90	137.2 Å²	137.2	93%	0.928	74%	0.737	S	S	*	*			trans	-70	71.7	-168	0	0	0	0	0	115.4
20	S	36.3	Very low	48.3	Very low	87 Å²	87	135.7 Å²	135.7	61%	0.608	73%	0.726	S	S	*	*			trans	-73	137.1	158.8	73.2	0	0	0	0	109.8	E18 V22	E18-S20 VanDerWaalsContact C-N 3.29Å; E18-S20 PolarHBondContact O-N 3.2Å; S20-V22 VanDerWaalsContact C-N 3.33Å; S20-V22 PolarHBondContact O-N 3.08Å
21	F	42.3	Very low	50.4	Low	197 Å²	197	133.2 Å²	133.2	86%	0.864	72%	0.717	S	S	*	*			trans	-80	77.4	-171.9	-168.7	-93.5	0	0	0	111.3	E23	F21-E23 PolarHBondContact O-N 3.43Å
22	V	48.6	Very low	52.6	Low	118 Å²	118	130.4 Å²	130.4	72%	0.715	70%	0.701	S	S	*	*			trans	-75	106.5	173.2	-176.7	0	0	0	0	109.4	S20 K24	S20-V22 VanDerWaalsContact C-N 3.33Å; S20-V22 PolarHBondContact O-N 3.08Å; V22-K24 PolarHBondContact O-N 3.04Å
23	E	54.1	Low	54.9	Low	132 Å²	132	127.9 Å²	127.9	62%	0.617	69%	0.692	S	S	*	*			trans	-58.8	120.9	176.8	-170.8	176.2	-127.4	0	0	110.4	F21 C25	F21-E23 PolarHBondContact O-N 3.43Å; E23-C25 VanDerWaalsContact C-N 3.31Å; E23-C25 PolarHBondContact O-N 3.31Å
24	K	55.1	Low	57.2	Low	193 Å²	193	124.1 Å²	124.1	84%	0.839	67%	0.672	S	S	*	*			trans	-72	83.7	-174.7	-76.3	-172.9	176.5	178.1	0	111.7	V22 T26	V22-K24 PolarHBondContact O-N 3.04Å; K24-T26 PolarHBondContact O-N 3.45Å; K24-T26 VanDerWaalsContact O-N 3.15Å; K24-T26 PolarHBondContact O-OG1 3.48Å; K24-T26 VanDerWaalsContact O-OG1 3.12Å
25	C	66.2	Low	59.6	Low	59 Å²	59	113.9 Å²	113.9	40%	0.399	63%	0.627	S	S	.	*			trans	-64.2	114.6	-173.4	-149.9	0	0	0	0	111.6	E23 N95 C96	E23-C25 VanDerWaalsContact C-N 3.31Å; E23-C25 PolarHBondContact O-N 3.31Å; C25-N95 VanDerWaalsContact SG-C 3.51Å; C25-C96 VanDerWaalsContact C-SG 3.57Å; C25-C96 HydrophobicContact CB-CB 3.78Å; C25-C96 WeakPolarHBondContact CB-SG 3.19Å; C25-C96 WeakPolarHBondContact SG-CA 3.42Å; C25-C96 WeakPolarHBondContact SG-CB 3.48Å; C25-C96 PolarHBondContact SG-N 3.04Å; C25-C96 CovalentContact SG-SG 2.03Å; C25-C96 PolarHBondContact SG-SG 3.37Å
26	T	64.8	Low	62.2	Low	129 Å²	129	110.7 Å²	110.7	79%	0.791	60%	0.595	S	S	*	*			trans	-97.4	-12	-151.9	-6.4	0	0	0	0	114.6	K24	K24-T26 PolarHBondContact O-N 3.45Å; K24-T26 VanDerWaalsContact O-N 3.15Å; K24-T26 PolarHBondContact O-OG1 3.48Å; K24-T26 VanDerWaalsContact O-OG1 3.12Å
27	K	62.5	Low	64.8	Low	169 Å²	169	106.5 Å²	106.5	74%	0.735	58%	0.579	S	S	*	*			trans	179.3	145.4	162	-98.8	144.7	-171.4	175.9	0	109.4	R29 C96	K27-R29 PolarHBondContact O-N 3.26Å; K27-C96 PolarHBondContact O-SG 3.03Å
28	P	64.6	Low	67.5	Low	68 Å²	68	103.6 Å²	103.6	44%	0.442	57%	0.567	S	S	.	*			trans	-62.7	134.6	170.2	28	-34.3	0	0	0	110.1	D94 C96	P28-D94 VanDerWaalsContact CA-OD1 3.3Å; P28-D94 WeakPolarHBondContact CA-OD1 3.17Å; P28-D94 WeakPolarHBondContact CB-OD1 3.43Å; P28-D94 VanDerWaalsContact CB-OD2 3.29Å; P28-D94 WeakPolarHBondContact CB-OD2 3.35Å; P28-C96 HydrophobicContact CB-CB 4.42Å
29	R	67.4	Low	70	Confident	227 Å²	227	96.2 Å²	96.2	86%	0.857	53%	0.533	S	S	*	.			trans	-86	-20.6	-171.8	-68	-175.3	178.1	-177.8	1.3	114.4	K27	K27-R29 PolarHBondContact O-N 3.26Å
30	L	79.6	Confident	72.5	Confident	68 Å²	68	94.1 Å²	94.1	36%	0.356	50%	0.499	S	S	.	.	S	Bend	trans	-133.6	157.7	-171.8	-69.9	168	0	0	0	111.3	A34 I35 L93	L30-A34 HydrophobicContact CD2-CB 4.32Å; L30-I35 HydrophobicContact CB-CD1 4.09Å; L30-I35 HydrophobicContact CB-CG1 3.68Å; L30-I35 HydrophobicContact CD1-CG1 4.16Å; L30-L93 HydrophobicContact CD1-CB 4.15Å
31	T	85.3	Confident	74.9	Confident	85 Å²	85	94.2 Å²	94.2	52%	0.521	51%	0.505	S	S	.	.			trans	-78.3	153	170.2	63	0	0	0	0	110.2	A33 A34 I35	T31-A33 PolarHBondContact O-N 3.34Å; T31-A33 VanDerWaalsContact O-N 3.17Å; T31-A34 PolarHBondContact O-N 3.17Å; T31-A34 VanDerWaalsContact O-N 3.13Å; T31-A34 WeakPolarHBondContact OG1-CB 3.18Å; T31-A34 PolarHBondContact OG1-N 2.98Å; T31-I35 WeakPolarHBondContact O-CG1 3.4Å; T31-I35 PolarHBondContact O-N 2.93Å
32	P	84.3	Confident	77.1	Confident	60 Å²	60	92.3 Å²	92.3	39%	0.39	50%	0.504	S	S	.	.	H	α-helix	trans	-53.9	-34	174.8	-29.8	37.4	0	0	0	113.9	L36 L100	P32-L36 WeakPolarHBondContact O-CB 3.28Å; P32-L36 PolarHBondContact O-N 2.97Å; P32-L36 VanDerWaalsContact O-N 3.07Å; P32-L100 HydrophobicContact CB-CD2 3.84Å; P32-L100 HydrophobicContact CG-CD2 4.22Å
33	A	85.6	Confident	79.1	Confident	59 Å²	59	88.2 Å²	88.2	49%	0.488	48%	0.476	S	S	.	.	H	α-helix	trans	-66.5	-50.4	175.4	0	0	0	0	0	111.8	T31 I35 L36 D37	T31-A33 PolarHBondContact O-N 3.34Å; T31-A33 VanDerWaalsContact O-N 3.17Å; A33-I35 VanDerWaalsContact C-N 3.27Å; A33-I35 PolarHBondContact O-N 3.36Å; A33-L36 CarbonylContact O-C 3.56Å; A33-L36 WeakPolarHBondContact O-CA 3.29Å; A33-L36 VanDerWaalsContact O-CB 3.27Å; A33-L36 WeakPolarHBondContact O-CB 3.45Å; A33-L36 PolarHBondContact O-N 3.49Å; A33-D37 VanDerWaalsContact O-CG 3.23Å; A33-D37 PolarHBondContact O-N 3.31Å
34	A	87.9	Confident	80.9	Confident	29 Å²	29	84.8 Å²	84.8	24%	0.24	47%	0.467	C	S	.	.	H	α-helix	trans	-63.7	-32.5	179.4	0	0	0	0	0	112.9	L30 T31 V38	L30-A34 HydrophobicContact CD2-CB 4.32Å; T31-A34 PolarHBondContact O-N 3.17Å; T31-A34 VanDerWaalsContact O-N 3.13Å; T31-A34 WeakPolarHBondContact OG1-CB 3.18Å; T31-A34 PolarHBondContact OG1-N 2.98Å; A34-V38 WeakPolarHBondContact O-CG2 3.39Å; A34-V38 PolarHBondContact O-N 3.49Å
35	I	86.9	Confident	82.6	Confident	0 Å²	0	82 Å²	82	0%	0	45%	0.451	C	S	.	.	H	α-helix	trans	-62.9	-46	170.2	-67.3	169	0	0	0	109.9	L30 T31 A33 V38 I39 Y90 L93 D94 L100	L30-I35 HydrophobicContact CB-CD1 4.09Å; L30-I35 HydrophobicContact CB-CG1 3.68Å; L30-I35 HydrophobicContact CD1-CG1 4.16Å; T31-I35 WeakPolarHBondContact O-CG1 3.4Å; T31-I35 PolarHBondContact O-N 2.93Å; A33-I35 VanDerWaalsContact C-N 3.27Å; A33-I35 PolarHBondContact O-N 3.36Å; I35-V38 PolarHBondContact O-N 3.41Å; I35-I39 HydrophobicContact CG2-CD1 3.59Å; I35-I39 WeakPolarHBondContact O-CD1 3.4Å; I35-I39 VanDerWaalsContact O-CG1 3.22Å; I35-I39 WeakPolarHBondContact O-CG1 3.18Å; I35-I39 PolarHBondContact O-N 2.83Å; I35-I39 VanDerWaalsContact O-N 3.15Å; I35-Y90 HydrophobicContact CG2-CG 4.28Å; I35-L93 HydrophobicContact CG2-CD1 4.18Å; I35-D94 HydrophobicContact CD1-CB 3.82Å; I35-L100 HydrophobicContact CG2-CD1 4.12Å
36	L	88.4	Confident	83.7	Confident	36 Å²	36	82 Å²	82	19%	0.188	45%	0.451	C	S	.	.	H	α-helix	trans	-63.2	-44.2	178.9	-151.4	66.8	0	0	0	112.6	P32 A33 V38 I39 M40 F102 F106	P32-L36 WeakPolarHBondContact O-CB 3.28Å; P32-L36 PolarHBondContact O-N 2.97Å; P32-L36 VanDerWaalsContact O-N 3.07Å; A33-L36 CarbonylContact O-C 3.56Å; A33-L36 WeakPolarHBondContact O-CA 3.29Å; A33-L36 VanDerWaalsContact O-CB 3.27Å; A33-L36 WeakPolarHBondContact O-CB 3.45Å; A33-L36 PolarHBondContact O-N 3.49Å; L36-V38 VanDerWaalsContact C-N 3.32Å; L36-V38 PolarHBondContact O-N 2.85Å; L36-I39 PolarHBondContact O-N 3.07Å; L36-M40 HydrophobicContact CD1-CG 4.41Å; L36-M40 HydrophobicContact CG-CG 4.1Å; L36-M40 VanDerWaalsContact O-CB 3.31Å; L36-M40 WeakPolarHBondContact O-CB 3.49Å; L36-M40 VanDerWaalsContact O-CG 3.22Å; L36-M40 WeakPolarHBondContact O-CG 3.5Å; L36-M40 PolarHBondContact O-N 3.15Å; L36-F102 HydrophobicContact CD1-CE1 3.57Å; L36-F102 HydrophobicContact CD1-CZ 3.56Å; L36-F102 HydrophobicContact CD2-CE1 3.99Å; L36-F102 HydrophobicContact CG-CE1 4.4Å; L36-F106 HydrophobicContact CD1-CD2 4.13Å; L36-F106 HydrophobicContact CD1-CE1 4.5Å; L36-F106 HydrophobicContact CD1-CE2 3.4Å; L36-F106 VanDerWaalsContact CD1-CE2 3.4Å; L36-F106 HydrophobicContact CD1-CZ 3.62Å; L36-F106 HydrophobicContact CD2-CD2 4.09Å; L36-F106 HydrophobicContact CD2-CE2 4.05Å; L36-F106 HydrophobicContact CG-CD2 4.5Å; L36-F106 HydrophobicContact CG-CE2 3.96Å
37	D	90.1	Very high	84.9	Confident	112 Å²	112	78.2 Å²	78.2	60%	0.599	43%	0.426	S	S	*	.	H	α-helix	trans	-60	-43.2	-179.5	-63.4	-35.4	0	0	0	111	A33 A41	A33-D37 VanDerWaalsContact O-CG 3.23Å; A33-D37 PolarHBondContact O-N 3.31Å; D37-A41 VanDerWaalsContact O-CB 3.28Å; D37-A41 WeakPolarHBondContact O-CB 3.1Å; D37-A41 PolarHBondContact O-N 3.13Å; D37-A41 VanDerWaalsContact O-N 3.1Å
38	V	89.8	Confident	86.2	Confident	85 Å²	85	71.5 Å²	71.5	52%	0.515	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-44.3	177.2	171.3	0	0	0	0	112	A34 I35 L36 L93	A34-V38 WeakPolarHBondContact O-CG2 3.39Å; A34-V38 PolarHBondContact O-N 3.49Å; I35-V38 PolarHBondContact O-N 3.41Å; L36-V38 VanDerWaalsContact C-N 3.32Å; L36-V38 PolarHBondContact O-N 2.85Å; V38-L93 HydrophobicContact CB-CD1 4.32Å; V38-L93 HydrophobicContact CG1-CD1 4.01Å; V38-L93 HydrophobicContact CG1-CD2 4.3Å
39	I	90.6	Very high	87.2	Confident	18 Å²	18	69.7 Å²	69.7	9%	0.092	39%	0.394	C	S	.	.	H	α-helix	trans	-67.6	-45.4	-179.3	-66.8	163.4	0	0	0	111	I35 L36 L88 L93	I35-I39 HydrophobicContact CG2-CD1 3.59Å; I35-I39 WeakPolarHBondContact O-CD1 3.4Å; I35-I39 VanDerWaalsContact O-CG1 3.22Å; I35-I39 WeakPolarHBondContact O-CG1 3.18Å; I35-I39 PolarHBondContact O-N 2.83Å; I35-I39 VanDerWaalsContact O-N 3.15Å; L36-I39 PolarHBondContact O-N 3.07Å; I39-L88 HydrophobicContact CG2-CD2 3.33Å; I39-L88 HydrophobicContact CG2-CG 4.5Å; I39-L93 HydrophobicContact CG1-CD1 4.21Å
40	M	91.1	Very high	88.1	Confident	46 Å²	46	64.5 Å²	64.5	23%	0.227	38%	0.383	C	S	.	.	H	α-helix	trans	-80.7	-18.1	-172.3	-60.5	-59.7	-76.9	0	0	113.1	L36 N42 Y43 L88 F106 L109 I110	L36-M40 HydrophobicContact CD1-CG 4.41Å; L36-M40 HydrophobicContact CG-CG 4.1Å; L36-M40 VanDerWaalsContact O-CB 3.31Å; L36-M40 WeakPolarHBondContact O-CB 3.49Å; L36-M40 VanDerWaalsContact O-CG 3.22Å; L36-M40 WeakPolarHBondContact O-CG 3.5Å; L36-M40 PolarHBondContact O-N 3.15Å; M40-N42 PolarHBondContact O-N 3.45Å; M40-N42 VanDerWaalsContact O-N 3.08Å; M40-Y43 HydrophobicContact CE-CD1 4.25Å; M40-Y43 PolarHBondContact O-N 3.14Å; M40-Y43 VanDerWaalsContact O-N 3.15Å; M40-Y43 HydrophobicContact SD-CD1 4.48Å; M40-Y43 HydrophobicContact SD-CG 4.21Å; M40-L88 HydrophobicContact SD-CD2 4.08Å; M40-F106 HydrophobicContact CE-CE2 3.83Å; M40-F106 HydrophobicContact CE-CZ 4.36Å; M40-F106 HydrophobicContact CG-CE2 4.12Å; M40-F106 HydrophobicContact SD-CE2 3.76Å; M40-F106 HydrophobicContact SD-CZ 3.94Å; M40-L109 HydrophobicContact CE-CB 3.59Å; M40-I110 HydrophobicContact CE-CG2 3.95Å; M40-I110 HydrophobicContact SD-CG2 4.27Å
41	A	88.5	Confident	88.5	Confident	89 Å²	89	65.4 Å²	65.4	74%	0.736	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.6	179.7	0	0	0	0	0	114.9	D37	D37-A41 VanDerWaalsContact O-CB 3.28Å; D37-A41 WeakPolarHBondContact O-CB 3.1Å; D37-A41 PolarHBondContact O-N 3.13Å; D37-A41 VanDerWaalsContact O-N 3.1Å
42	N	86.6	Confident	88.9	Confident	157 Å²	157	61.7 Å²	61.7	84%	0.84	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	19.4	176	-164.8	32.9	0	0	0	112.5	M40	M40-N42 PolarHBondContact O-N 3.45Å; M40-N42 VanDerWaalsContact O-N 3.08Å
43	Y	92.3	Very high	89.4	Confident	31 Å²	31	61 Å²	61	12%	0.122	37%	0.374	C	S	.	.			trans	-81.5	132.9	-179.7	-171.6	-91.2	0	0	0	111.4	M40 R45 D85 R87 L88 I110 W111	M40-Y43 HydrophobicContact CE-CD1 4.25Å; M40-Y43 PolarHBondContact O-N 3.14Å; M40-Y43 VanDerWaalsContact O-N 3.15Å; M40-Y43 HydrophobicContact SD-CD1 4.48Å; M40-Y43 HydrophobicContact SD-CG 4.21Å; Y43-R45 HydrophobicContact CE1-CG 4.48Å; Y43-D85 WeakPolarHBondContact CE2-OD2 3.42Å; Y43-D85 PolarHBondContact OH-OD2 2.99Å; Y43-R87 HydrophobicContact CD2-CB 4.05Å; Y43-R87 HydrophobicContact CE2-CB 4Å; Y43-R87 PolarHBondContact OH-NH2 3.3Å; Y43-L88 HydrophobicContact CD2-CD2 3.43Å; Y43-L88 VanDerWaalsContact CD2-CD2 3.43Å; Y43-L88 HydrophobicContact CD2-CG 4.03Å; Y43-L88 HydrophobicContact CE2-CD1 3.98Å; Y43-L88 HydrophobicContact CE2-CD2 3.51Å; Y43-L88 HydrophobicContact CE2-CG 3.6Å; Y43-L88 HydrophobicContact CG-CD2 4.17Å; Y43-I110 HydrophobicContact CE1-CB 4.12Å; Y43-I110 HydrophobicContact CE1-CG2 4.42Å; Y43-W111 WeakPolarHBondContact OH-CB 3.44Å; Y43-W111 PolarHBondContact OH-N 3.12Å
44	S	91.2	Very high	89.8	Confident	61 Å²	61	58.2 Å²	58.2	43%	0.427	35%	0.351	S	S	.	.			trans	-117.2	135.7	174.9	48.8	0	0	0	0	110.6	S46 R87	S44-S46 PolarHBondContact O-N 2.65Å; S44-S46 PolarHBondContact OG-OG 3.04Å; S44-S46 VanDerWaalsContact OG-OG 3.12Å; S44-R87 PolarHBondContact O-NH1 2.85Å
45	R	90.4	Very high	90.1	Very high	135 Å²	135	61.5 Å²	61.5	51%	0.509	36%	0.361	S	S	.	.	S	Bend	trans	-72.6	26.1	177.3	-55	-171.7	74.5	-154.5	1.8	113.7	Y43 K108 L109 I110	Y43-R45 HydrophobicContact CE1-CG 4.48Å; R45-K108 PolarHBondContact NE-O 3.39Å; R45-K108 PolarHBondContact NH1-O 2.9Å; R45-K108 PolarHBondContact NH2-O 2.97Å; R45-L109 WeakPolarHBondContact CD-O 3.37Å; R45-L109 VanDerWaalsContact CG-O 3.24Å; R45-L109 WeakPolarHBondContact CG-O 3.19Å; R45-I110 VanDerWaalsContact CZ-O 3.26Å; R45-I110 PolarHBondContact NE-O 2.96Å; R45-I110 PolarHBondContact NH2-O 3.34Å
46	S	90.6	Very high	90.4	Very high	58 Å²	58	61.6 Å²	61.6	41%	0.406	36%	0.361	S	S	.	.	S	Bend	trans	-80	161.5	170.5	55.2	0	0	0	0	110.8	S44 R87	S44-S46 PolarHBondContact O-N 2.65Å; S44-S46 PolarHBondContact OG-OG 3.04Å; S44-S46 VanDerWaalsContact OG-OG 3.12Å; S46-R87 PolarHBondContact O-NH1 2.64Å; S46-R87 VanDerWaalsContact O-NH1 3.12Å; S46-R87 PolarHBondContact O-NH2 3.36Å; S46-R87 PolarHBondContact OG-NH1 2.95Å
47	L	89.8	Confident	90.7	Very high	50 Å²	50	61.4 Å²	61.4	26%	0.262	36%	0.36	S	S	.	.			trans	-52.8	128.9	172.7	-78.2	154.7	0	0	0	110.9	G49 V52 W111 Y178 V183	L47-G49 VanDerWaalsContact C-N 3.27Å; L47-G49 PolarHBondContact O-N 3.15Å; L47-V52 HydrophobicContact CD2-CG2 4.03Å; L47-W111 HydrophobicContact CD2-CH2 4.42Å; L47-W111 HydrophobicContact CD2-CZ2 3.54Å; L47-Y178 HydrophobicContact CD1-CD1 4.25Å; L47-Y178 HydrophobicContact CD1-CE1 3.99Å; L47-Y178 HydrophobicContact CD2-CD1 4.11Å; L47-Y178 HydrophobicContact CD2-CE1 3.95Å; L47-Y178 HydrophobicContact CG-CE1 4Å; L47-V183 HydrophobicContact CD2-CG2 3.96Å
48	P	88.6	Confident	90.7	Very high	28 Å²	28	56.4 Å²	56.4	18%	0.182	33%	0.333	C	S	.	.	S	Bend	trans	-71.9	-16.9	178.5	25.8	-33.2	0	0	0	114.4	V52 D85 W111	P48-V52 HydrophobicContact CG-CG1 4.24Å; P48-V52 HydrophobicContact CG-CG2 3.8Å; P48-D85 HydrophobicContact CB-CB 4.14Å; P48-D85 HydrophobicContact CG-CB 4.45Å; P48-W111 HydrophobicContact CG-CD2 4.46Å; P48-W111 HydrophobicContact CG-CE3 3.95Å; P48-W111 HydrophobicContact CG-CZ3 4.09Å
49	G	86.9	Confident	90.7	Very high	30 Å²	30	53 Å²	53	31%	0.309	31%	0.313	S	S	.	.	S	Bend	trans	-173.2	179.8	179.6	0	0	0	0	0	111.2	L47 V52	L47-G49 VanDerWaalsContact C-N 3.27Å; L47-G49 PolarHBondContact O-N 3.15Å; G49-V52 VanDerWaalsContact O-CG2 3.29Å; G49-V52 WeakPolarHBondContact O-CG2 3.45Å
50	N	86.6	Confident	90.6	Very high	118 Å²	118	53.6 Å²	53.6	63%	0.631	32%	0.317	S	S	*	.	S	Bend	trans	-141.5	119.9	175.5	-66.9	-67.6	0	0	0	110.1
51	P	87.3	Confident	90.5	Very high	86 Å²	86	53.5 Å²	53.5	56%	0.558	32%	0.316	S	S	*	.	S	Bend	cis	-71.2	150.5	-15.2	31.3	-34.6	0	0	0	111.7	A181 S182	P51-A181 WeakPolarHBondContact CB-O 3.4Å; P51-S182 CarbonylContact C-O 3.6Å; P51-S182 WeakPolarHBondContact CA-O 3.47Å
52	V	93.6	Very high	90.3	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.9	163.2	-169.9	0	0	0	0	108.7	L47 P48 G49 V54 W83 W111 S182 V183 S184	L47-V52 HydrophobicContact CD2-CG2 4.03Å; P48-V52 HydrophobicContact CG-CG1 4.24Å; P48-V52 HydrophobicContact CG-CG2 3.8Å; G49-V52 VanDerWaalsContact O-CG2 3.29Å; G49-V52 WeakPolarHBondContact O-CG2 3.45Å; V52-V54 HydrophobicContact CG1-CG2 4.22Å; V52-V54 PolarHBondContact O-N 3.04Å; V52-W83 HydrophobicContact CG1-CB 4.29Å; V52-W111 HydrophobicContact CB-CH2 4.05Å; V52-W111 HydrophobicContact CG1-CH2 3.89Å; V52-W111 HydrophobicContact CG1-CZ3 3.95Å; V52-W111 HydrophobicContact CG2-CH2 3.97Å; V52-W111 HydrophobicContact CG2-CZ2 4.44Å; V52-W111 HydrophobicContact CG2-CZ3 4.46Å; V52-S182 PolarHBondContact N-O 3.18Å; V52-V183 HydrophobicContact CB-CG2 4.39Å; V52-V183 WeakPolarHBondContact O-CA 3.23Å; V52-S184 PolarHBondContact O-N 2.82Å
53	G	93.6	Very high	90.2	Very high	46 Å²	46	45.3 Å²	45.3	47%	0.474	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	117.1	168.7	0	0	0	0	0	110.5
54	V	95	Very high	89.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.9	175.9	-179.2	0	0	0	0	107.9	V52 V56 I82 W83 P113 V115 V183 S184 V185 N186	V52-V54 HydrophobicContact CG1-CG2 4.22Å; V52-V54 PolarHBondContact O-N 3.04Å; V54-V56 HydrophobicContact CG1-CG1 4.44Å; V54-I82 CarbonylContact C-O 3.6Å; V54-I82 WeakPolarHBondContact CA-O 3.41Å; V54-W83 HydrophobicContact CG2-CB 4.12Å; V54-P113 HydrophobicContact CG1-CB 4.29Å; V54-P113 HydrophobicContact CG1-CG 4.04Å; V54-P113 HydrophobicContact CG2-CB 3.69Å; V54-P113 HydrophobicContact CG2-CG 4.2Å; V54-V115 HydrophobicContact CG1-CG2 4.3Å; V54-V183 HydrophobicContact CB-CG1 4.42Å; V54-V183 HydrophobicContact CG2-CG1 3.65Å; V54-S184 PolarHBondContact N-O 2.9Å; V54-V185 CarbonylContact O-C 3.56Å; V54-V185 WeakPolarHBondContact O-CA 3.15Å; V54-N186 PolarHBondContact O-N 3.05Å
55	Q	94.8	Very high	89.3	Confident	98 Å²	98	49.2 Å²	49.2	46%	0.458	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.2	172.2	-67.6	-175.3	1.6	0	0	110.1	S81 I82 N186 M188	Q55-S81 CarbonylContact O-C 3.59Å; Q55-S81 WeakPolarHBondContact O-CA 3.34Å; Q55-I82 HydrophobicContact CB-CB 4.38Å; Q55-I82 PolarHBondContact N-O 3.2Å; Q55-I82 PolarHBondContact O-N 3.39Å; Q55-N186 CarbonylContact C-O 3.5Å; Q55-N186 VanDerWaalsContact CA-O 3.25Å; Q55-N186 WeakPolarHBondContact CA-O 3.33Å; Q55-M188 HydrophobicContact CB-CG 3.79Å
56	V	93.3	Very high	89.1	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.2	176.6	-69.4	0	0	0	0	112.6	V54 F79 S80 V115 V185 N186 W187 M188	V54-V56 HydrophobicContact CG1-CG1 4.44Å; V56-F79 HydrophobicContact CB-CE2 4.02Å; V56-F79 HydrophobicContact CG1-CE2 3.69Å; V56-F79 HydrophobicContact CG1-CZ 3.81Å; V56-S80 WeakPolarHBondContact CA-O 3.18Å; V56-V115 HydrophobicContact CG1-CG1 4.47Å; V56-V185 HydrophobicContact CG1-CG1 3.88Å; V56-V185 HydrophobicContact CG2-CG1 3.82Å; V56-N186 WeakPolarHBondContact CG2-O 3.38Å; V56-N186 PolarHBondContact N-O 3.16Å; V56-W187 HydrophobicContact CG2-CD2 4.25Å; V56-W187 HydrophobicContact CG2-CE3 3.9Å; V56-W187 HydrophobicContact CG2-CZ3 4.14Å; V56-M188 PolarHBondContact O-N 2.84Å
57	E	93.2	Very high	88.9	Confident	33 Å²	33	42.4 Å²	42.4	15%	0.154	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.4	170.7	168	-170.1	-154.7	0	0	108.3	S80 M188 P191 T193	E57-S80 PolarHBondContact N-O 3.28Å; E57-S80 VanDerWaalsContact N-O 3.1Å; E57-S80 PolarHBondContact O-N 3.03Å; E57-M188 HydrophobicContact CB-CB 4.42Å; E57-M188 HydrophobicContact CB-CG 4.34Å; E57-M188 HydrophobicContact CB-SD 3.8Å; E57-P191 WeakPolarHBondContact CA-O 3.41Å; E57-T193 WeakPolarHBondContact OE1-CG2 3.32Å; E57-T193 PolarHBondContact OE1-OG1 3.31Å
58	V	90.6	Very high	88.6	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.5	173.3	177	0	0	0	0	109.5	I77 F79 F173 W187 P191 V192 T193	V58-I77 HydrophobicContact CG1-CB 4.41Å; V58-I77 HydrophobicContact CG1-CD1 4.08Å; V58-F79 HydrophobicContact CG2-CD2 4.35Å; V58-F173 HydrophobicContact CG1-CZ 4.4Å; V58-F173 HydrophobicContact CG2-CE1 3.77Å; V58-F173 HydrophobicContact CG2-CE2 3.74Å; V58-F173 HydrophobicContact CG2-CZ 3.31Å; V58-W187 HydrophobicContact CG2-CH2 4.13Å; V58-W187 HydrophobicContact CG2-CZ3 4Å; V58-P191 PolarHBondContact N-O 3.39Å; V58-V192 VanDerWaalsContact O-CA 3.29Å; V58-V192 WeakPolarHBondContact O-CA 3.34Å; V58-T193 PolarHBondContact O-N 3.46Å
59	T	90.4	Very high	88.4	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.086	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.5	169.7	-48.3	0	0	0	0	109.4	Q61 I77 W78 T193 L195	T59-Q61 PolarHBondContact O-N 3.02Å; T59-I77 CarbonylContact O-C 3.56Å; T59-I77 WeakPolarHBondContact O-CA 3.42Å; T59-W78 PolarHBondContact N-O 3.5Å; T59-W78 PolarHBondContact O-N 3.45Å; T59-T193 CarbonylContact C-O 3.59Å; T59-T193 VanDerWaalsContact CA-O 3.27Å; T59-T193 WeakPolarHBondContact CA-O 3.29Å; T59-T193 WeakPolarHBondContact CB-OG1 3.14Å; T59-T193 PolarHBondContact OG1-OG1 3.3Å; T59-L195 HydrophobicContact CG2-CD1 3.32Å
60	V	89	Confident	88.4	Confident	29 Å²	29	46.3 Å²	46.3	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.8	171.3	-173.3	0	0	0	0	108.3	V63 I77 V192 T193 V194 L195 I198	V60-V63 HydrophobicContact CG1-CG2 4.08Å; V60-I77 HydrophobicContact CG1-CG2 4.45Å; V60-I77 HydrophobicContact CG2-CG2 4.47Å; V60-V192 HydrophobicContact CG2-CG1 4.39Å; V60-T193 PolarHBondContact N-O 3.45Å; V60-V194 HydrophobicContact CB-CG1 4.48Å; V60-V194 HydrophobicContact CB-CG2 4.42Å; V60-L195 PolarHBondContact O-N 3.38Å; V60-I198 HydrophobicContact CG1-CD1 3.87Å
61	Q	87.4	Confident	88.5	Confident	45 Å²	45	44.1 Å²	44.1	21%	0.21	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-44.5	175.8	168.2	172.1	18.4	0	0	111.3	T59 D76 R148 L195 I198	T59-Q61 PolarHBondContact O-N 3.02Å; Q61-D76 WeakPolarHBondContact CA-O 3.35Å; Q61-D76 WeakPolarHBondContact CB-O 3.37Å; Q61-D76 PolarHBondContact N-O 3.06Å; Q61-R148 VanDerWaalsContact OE1-CZ 3.23Å; Q61-R148 VanDerWaalsContact OE1-NH2 3.13Å; Q61-L195 HydrophobicContact CB-CD2 4.49Å; Q61-L195 HydrophobicContact CG-CD2 4.23Å; Q61-I198 WeakPolarHBondContact O-CG1 3.45Å
62	D	85.2	Confident	88.7	Confident	41 Å²	41	40.1 Å²	40.1	22%	0.219	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	155.1	-178	-175.8	34.2	0	0	0	110.4	A75 D76	D62-A75 WeakPolarHBondContact O-CA 3.35Å; D62-D76 HydrophobicContact CB-CB 4.48Å; D62-D76 PolarHBondContact N-O 2.89Å; D62-D76 PolarHBondContact O-N 3.15Å
63	V	84.9	Confident	88.6	Confident	32 Å²	32	40.6 Å²	40.6	19%	0.194	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.4	168.6	-171.7	0	0	0	0	107	V60 A75 L200	V60-V63 HydrophobicContact CG1-CG2 4.08Å; V63-A75 HydrophobicContact CG1-CB 4.43Å; V63-A75 HydrophobicContact CG2-CB 4.32Å; V63-L200 HydrophobicContact CB-CD1 4.15Å; V63-L200 HydrophobicContact CB-CD2 3.95Å; V63-L200 HydrophobicContact CB-CG 4.19Å; V63-L200 HydrophobicContact CG1-CD2 3.94Å; V63-L200 WeakPolarHBondContact O-CD2 3.37Å; V63-L200 WeakPolarHBondContact O-CG 3.09Å
64	M	82	Confident	88.5	Confident	75 Å²	75	39.3 Å²	39.3	37%	0.369	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-41.4	-165.7	-59.9	-175.7	69.4	0	0	113.5	T74 R150	M64-T74 HydrophobicContact CB-CG2 4.38Å; M64-T74 PolarHBondContact N-O 2.91Å; M64-T74 HydrophobicContact SD-CG2 4.08Å; M64-R150 HydrophobicContact SD-CG 4.49Å; M64-R150 PolarHBondContact SD-NE 3.17Å; M64-R150 PolarHBondContact SD-NH2 3.32Å; M64-R150 VanDerWaalsContact SD-NH2 3.38Å
65	E	82.7	Confident	88.3	Confident	99 Å²	99	39.4 Å²	39.4	46%	0.463	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	133.6	-173.5	-171	-167.5	156.3	0	0	109.7	S67 F73 T74	E65-S67 WeakPolarHBondContact OE1-CB 3.26Å; E65-S67 PolarHBondContact OE1-OG 2.83Å; E65-F73 CarbonylContact O-C 3.59Å; E65-F73 VanDerWaalsContact O-CA 3.31Å; E65-F73 WeakPolarHBondContact O-CA 3.21Å; E65-T74 PolarHBondContact N-O 3.15Å; E65-T74 PolarHBondContact O-N 3.37Å
66	L	85.1	Confident	88.2	Confident	29 Å²	29	35.2 Å²	35.2	15%	0.152	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	98.1	162.2	-173.5	62.8	0	0	0	108.7	V68 F73 M157 Q167 F203	L66-V68 PolarHBondContact O-N 2.91Å; L66-F73 HydrophobicContact CD1-CB 3.66Å; L66-M157 HydrophobicContact CD1-CE 3.39Å; L66-M157 HydrophobicContact CD1-SD 4.11Å; L66-M157 HydrophobicContact CD2-SD 4.29Å; L66-M157 HydrophobicContact CG-CE 3.72Å; L66-M157 HydrophobicContact CG-SD 3.98Å; L66-Q167 HydrophobicContact CD2-CB 4.29Å; L66-Q167 HydrophobicContact CD2-CG 4.24Å; L66-F203 HydrophobicContact CB-CD2 4.27Å; L66-F203 HydrophobicContact CB-CE2 3.69Å; L66-F203 HydrophobicContact CB-CZ 4Å; L66-F203 HydrophobicContact CD2-CE1 3.81Å; L66-F203 HydrophobicContact CD2-CE2 4.19Å; L66-F203 HydrophobicContact CD2-CZ 3.64Å; L66-F203 HydrophobicContact CG-CE2 4.44Å; L66-F203 HydrophobicContact CG-CZ 4.24Å
67	S	86.9	Confident	88.2	Confident	22 Å²	22	35.2 Å²	35.2	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	84.5	-166.6	-161.1	0	0	0	0	111	E65 L69 S70 N71 S72	E65-S67 WeakPolarHBondContact OE1-CB 3.26Å; E65-S67 PolarHBondContact OE1-OG 2.83Å; S67-L69 VanDerWaalsContact C-N 3.28Å; S67-L69 PolarHBondContact O-N 2.87Å; S67-S70 WeakPolarHBondContact CB-OG 3.27Å; S67-S70 PolarHBondContact O-N 3.4Å; S67-S70 PolarHBondContact O-OG 2.84Å; S67-S70 PolarHBondContact OG-OG 3.08Å; S67-N71 PolarHBondContact O-N 3.2Å; S67-S72 WeakPolarHBondContact CA-O 3.35Å; S67-S72 VanDerWaalsContact CB-O 3.24Å; S67-S72 WeakPolarHBondContact CB-O 3.46Å; S67-S72 PolarHBondContact N-O 2.85Å; S67-S72 PolarHBondContact O-N 2.84Å
68	V	84.6	Confident	88.2	Confident	27 Å²	27	38 Å²	38	16%	0.164	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-58.6	-39.2	-176.3	-162.3	0	0	0	0	112	L66 S70 N71 M157 L159 P264	L66-V68 PolarHBondContact O-N 2.91Å; V68-S70 PolarHBondContact O-N 2.88Å; V68-N71 PolarHBondContact O-N 3.26Å; V68-M157 HydrophobicContact CB-SD 4.1Å; V68-M157 HydrophobicContact CG1-SD 3.96Å; V68-M157 HydrophobicContact CG2-SD 3.94Å; V68-L159 HydrophobicContact CG1-CD1 3.62Å; V68-L159 HydrophobicContact CG1-CD2 3.73Å; V68-L159 HydrophobicContact CG1-CG 4.25Å; V68-P264 HydrophobicContact CG1-CG 3.91Å
69	L	84	Confident	88.3	Confident	114 Å²	114	38.2 Å²	38.2	60%	0.597	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-63.4	-26.3	177.4	-68.5	171.8	0	0	0	113.7	S67	S67-L69 VanDerWaalsContact C-N 3.28Å; S67-L69 PolarHBondContact O-N 2.87Å
70	S	87.3	Confident	88.5	Confident	49 Å²	49	37.6 Å²	37.6	34%	0.343	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-109.2	-1.5	-177.1	71.2	0	0	0	0	114	S67 V68 S72 K121	S67-S70 WeakPolarHBondContact CB-OG 3.27Å; S67-S70 PolarHBondContact O-N 3.4Å; S67-S70 PolarHBondContact O-OG 2.84Å; S67-S70 PolarHBondContact OG-OG 3.08Å; V68-S70 PolarHBondContact O-N 2.88Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 3.24Å; S70-S72 PolarHBondContact O-OG 3.38Å; S70-S72 PolarHBondContact OG-OG 3.14Å; S70-K121 PolarHBondContact O-NZ 2.84Å
71	N	87.9	Confident	88.7	Confident	72 Å²	72	36.4 Å²	36.4	39%	0.385	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	53.6	-170.5	-72.4	-51	0	0	0	111.9	S67 V68 K121 P154 C155	S67-N71 PolarHBondContact O-N 3.2Å; V68-N71 PolarHBondContact O-N 3.26Å; N71-K121 PolarHBondContact O-NZ 3.05Å; N71-P154 VanDerWaalsContact O-CA 3.29Å; N71-P154 WeakPolarHBondContact O-CA 3.47Å; N71-C155 CarbonylContact C-O 3.48Å; N71-C155 WeakPolarHBondContact CB-O 3.27Å; N71-C155 PolarHBondContact O-N 3.45Å; N71-C155 VanDerWaalsContact O-N 3.08Å
72	S	91.6	Very high	89.1	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.5	173.3	19.8	0	0	0	0	112.8	S67 S70 K121 S153	S67-S72 WeakPolarHBondContact CA-O 3.35Å; S67-S72 VanDerWaalsContact CB-O 3.24Å; S67-S72 WeakPolarHBondContact CB-O 3.46Å; S67-S72 PolarHBondContact N-O 2.85Å; S67-S72 PolarHBondContact O-N 2.84Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 3.24Å; S70-S72 PolarHBondContact O-OG 3.38Å; S70-S72 PolarHBondContact OG-OG 3.14Å; S72-K121 PolarHBondContact OG-NZ 3.02Å; S72-S153 CarbonylContact C-O 3.6Å; S72-S153 WeakPolarHBondContact CA-O 3.46Å; S72-S153 WeakPolarHBondContact CB-O 3.27Å
73	F	91.1	Very high	89.6	Confident	18 Å²	18	34 Å²	34	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.3	166.8	69.8	-69.8	0	0	0	110.2	E65 L66 A75 Q152 S153 C155 C169 L171	E65-F73 CarbonylContact O-C 3.59Å; E65-F73 VanDerWaalsContact O-CA 3.31Å; E65-F73 WeakPolarHBondContact O-CA 3.21Å; L66-F73 HydrophobicContact CD1-CB 3.66Å; F73-A75 HydrophobicContact CD2-CB 4.47Å; F73-Q152 WeakPolarHBondContact O-CA 3.45Å; F73-S153 VanDerWaalsContact CD1-O 3.3Å; F73-S153 WeakPolarHBondContact CD1-O 3.4Å; F73-S153 VanDerWaalsContact CE1-OG 3.24Å; F73-S153 WeakPolarHBondContact CE1-OG 3.14Å; F73-S153 PolarHBondContact N-O 3.48Å; F73-S153 PolarHBondContact O-N 3.49Å; F73-C155 HydrophobicContact CD1-CB 3.84Å; F73-C155 HydrophobicContact CE1-CB 4.36Å; F73-C169 HydrophobicContact CD1-CB 3.71Å; F73-C169 HydrophobicContact CE1-CB 3.55Å; F73-C169 HydrophobicContact CE2-CB 4.38Å; F73-C169 HydrophobicContact CG-CB 4.19Å; F73-C169 HydrophobicContact CZ-CB 3.89Å; F73-L171 HydrophobicContact CE1-CD2 4.38Å; F73-L171 HydrophobicContact CE2-CD2 4.16Å; F73-L171 HydrophobicContact CE2-CG 4.34Å; F73-L171 HydrophobicContact CZ-CD2 3.55Å; F73-L171 HydrophobicContact CZ-CG 3.88Å
74	T	91.9	Very high	90.1	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.1	173.3	-54.7	0	0	0	0	108.7	M64 E65 R150 V151	M64-T74 HydrophobicContact CB-CG2 4.38Å; M64-T74 PolarHBondContact N-O 2.91Å; M64-T74 HydrophobicContact SD-CG2 4.08Å; E65-T74 PolarHBondContact N-O 3.15Å; E65-T74 PolarHBondContact O-N 3.37Å; T74-R150 HydrophobicContact CG2-CG 3.93Å; T74-V151 CarbonylContact C-O 3.57Å; T74-V151 WeakPolarHBondContact CA-O 3.35Å
75	A	91.4	Very high	90.7	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.025	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.3	177.4	0	0	0	0	0	111.4	D62 V63 F73 I77 R150 V151	D62-A75 WeakPolarHBondContact O-CA 3.35Å; V63-A75 HydrophobicContact CG1-CB 4.43Å; V63-A75 HydrophobicContact CG2-CB 4.32Å; F73-A75 HydrophobicContact CD2-CB 4.47Å; A75-I77 HydrophobicContact CB-CG2 4.06Å; A75-R150 WeakPolarHBondContact O-CA 3.37Å; A75-V151 HydrophobicContact CB-CG1 4.17Å; A75-V151 PolarHBondContact N-O 2.6Å; A75-V151 WeakPolarHBondContact O-CG1 3.46Å; A75-V151 PolarHBondContact O-N 2.88Å
76	D	92.2	Very high	91.2	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.1	164.8	-84	-16	0	0	0	108	Q61 D62 H126 R150	Q61-D76 WeakPolarHBondContact CA-O 3.35Å; Q61-D76 WeakPolarHBondContact CB-O 3.37Å; Q61-D76 PolarHBondContact N-O 3.06Å; D62-D76 HydrophobicContact CB-CB 4.48Å; D62-D76 PolarHBondContact N-O 2.89Å; D62-D76 PolarHBondContact O-N 3.15Å; D76-H126 IonicContact OD1-CD2 2.84Å; D76-H126 IonicContact OD1-CE1 3.68Å; D76-H126 PolarHBondContact OD1-CE1 3.18Å; D76-H126 IonicContact OD1-NE2 3.68Å; D76-H126 PolarHBondContact OD1-NE2 3.5Å; D76-H126 IonicContact OD2-CE1 3.98Å; D76-H126 PolarHBondContact OD2-CE1 3.5Å; D76-H126 IonicContact OD2-NE2 3.4Å; D76-H126 PolarHBondContact OD2-NE2 2.94Å; D76-R150 VanDerWaalsContact OD1-CA 3.32Å; D76-R150 WeakPolarHBondContact OD1-CA 3.3Å; D76-R150 WeakPolarHBondContact OD1-CB 3.39Å; D76-R150 WeakPolarHBondContact OD1-CG 3.28Å; D76-R150 IonicContact OD1-CZ 3.45Å; D76-R150 IonicContact OD1-NE 2.76Å; D76-R150 PolarHBondContact OD1-NE 3.28Å; D76-R150 IonicContact OD1-NH2 3.31Å; D76-R150 PolarHBondContact OD1-NH2 3.44Å; D76-R150 IonicContact OD2-CZ 3.57Å; D76-R150 IonicContact OD2-NE 2.78Å; D76-R150 IonicContact OD2-NH2 3.49Å; D76-R150 PolarHBondContact OD2-NH2 3.33Å
77	I	92.4	Very high	91.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154	-177.1	68.5	174.2	0	0	0	110.6	V58 T59 V60 A75 I117 I149 V151 L171 F173	V58-I77 HydrophobicContact CG1-CB 4.41Å; V58-I77 HydrophobicContact CG1-CD1 4.08Å; T59-I77 CarbonylContact O-C 3.56Å; T59-I77 WeakPolarHBondContact O-CA 3.42Å; V60-I77 HydrophobicContact CG1-CG2 4.45Å; V60-I77 HydrophobicContact CG2-CG2 4.47Å; A75-I77 HydrophobicContact CB-CG2 4.06Å; I77-I117 HydrophobicContact CD1-CD1 3.93Å; I77-I149 HydrophobicContact CD1-CD1 4.15Å; I77-I149 HydrophobicContact CD1-CG1 4.25Å; I77-I149 HydrophobicContact CG1-CD1 4.05Å; I77-I149 HydrophobicContact CG1-CG1 3.59Å; I77-I149 PolarHBondContact N-O 2.96Å; I77-I149 PolarHBondContact O-N 3.4Å; I77-I149 VanDerWaalsContact O-O 3.1Å; I77-V151 HydrophobicContact CD1-CG1 3.85Å; I77-V151 HydrophobicContact CG1-CG1 4.04Å; I77-V151 HydrophobicContact CG2-CG1 4.41Å; I77-L171 HydrophobicContact CD1-CD1 3.99Å; I77-F173 HydrophobicContact CD1-CZ 4.29Å
78	W	93.1	Very high	91.9	Very high	92 Å²	92	34.4 Å²	34.4	35%	0.348	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	165.1	-51.4	-7.4	0	0	0	107.7	T59 Y147	T59-W78 PolarHBondContact N-O 3.5Å; T59-W78 PolarHBondContact O-N 3.45Å; W78-Y147 CarbonylContact C-O 3.58Å; W78-Y147 WeakPolarHBondContact CA-O 3.26Å
79	F	93.4	Very high	92.2	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.053	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114	177.6	170.5	-116.4	0	0	0	109.1	V56 V58 V115 N146 Y147 I149 F173	V56-F79 HydrophobicContact CB-CE2 4.02Å; V56-F79 HydrophobicContact CG1-CE2 3.69Å; V56-F79 HydrophobicContact CG1-CZ 3.81Å; V58-F79 HydrophobicContact CG2-CD2 4.35Å; F79-V115 HydrophobicContact CE1-CB 4.2Å; F79-V115 HydrophobicContact CE1-CG1 4.33Å; F79-V115 HydrophobicContact CE2-CG1 4.31Å; F79-V115 HydrophobicContact CZ-CB 3.79Å; F79-V115 HydrophobicContact CZ-CG1 3.57Å; F79-N146 CarbonylContact O-C 3.6Å; F79-N146 WeakPolarHBondContact O-CA 3.23Å; F79-Y147 HydrophobicContact CD1-CD2 4.25Å; F79-Y147 PolarHBondContact N-O 3.29Å; F79-Y147 PolarHBondContact O-N 3.17Å; F79-I149 HydrophobicContact CB-CD1 4.33Å; F79-F173 AromaticContact CD2-CD1 3.8Å; F79-F173 HydrophobicContact CD2-CD1 3.8Å; F79-F173 AromaticContact CD2-CE1 3.5Å; F79-F173 HydrophobicContact CD2-CE1 3.5Å; F79-F173 VanDerWaalsContact CD2-CE1 3.5Å; F79-F173 AromaticContact CE2-CD1 3.59Å; F79-F173 HydrophobicContact CE2-CD1 3.59Å; F79-F173 AromaticContact CE2-CE1 3.83Å; F79-F173 HydrophobicContact CE2-CE1 3.83Å; F79-F173 HydrophobicContact CG-CE1 4.2Å; F79-F173 HydrophobicContact CZ-CD1 4.32Å
80	S	93.6	Very high	92.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.9	174.8	-77.3	0	0	0	0	110.1	V56 E57 W144 N146	V56-S80 WeakPolarHBondContact CA-O 3.18Å; E57-S80 PolarHBondContact N-O 3.28Å; E57-S80 VanDerWaalsContact N-O 3.1Å; E57-S80 PolarHBondContact O-N 3.03Å; S80-W144 PolarHBondContact OG-NE1 3.05Å; S80-N146 PolarHBondContact OG-ND2 3.26Å
81	S	94.8	Very high	92.6	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.9	166.3	58.1	0	0	0	0	109.5	Q55 L145	Q55-S81 CarbonylContact O-C 3.59Å; Q55-S81 WeakPolarHBondContact O-CA 3.34Å; S81-L145 PolarHBondContact N-O 3.34Å; S81-L145 PolarHBondContact O-N 2.92Å; S81-L145 PolarHBondContact OG-O 2.92Å
82	I	95	Very high	92.5	Very high	29 Å²	29	32 Å²	32	15%	0.149	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.6	-176.6	-60.7	179.3	0	0	0	109	V54 Q55 T142 I143 W144 M188	V54-I82 CarbonylContact C-O 3.6Å; V54-I82 WeakPolarHBondContact CA-O 3.41Å; Q55-I82 HydrophobicContact CB-CB 4.38Å; Q55-I82 PolarHBondContact N-O 3.2Å; Q55-I82 PolarHBondContact O-N 3.39Å; I82-T142 HydrophobicContact CG2-CG2 3.73Å; I82-I143 VanDerWaalsContact CA-O 3.27Å; I82-I143 WeakPolarHBondContact CA-O 3.46Å; I82-W144 HydrophobicContact CD1-CB 4.34Å; I82-W144 HydrophobicContact CD1-CD2 4.14Å; I82-W144 HydrophobicContact CD1-CG 3.9Å; I82-W144 HydrophobicContact CG1-CB 3.95Å; I82-W144 HydrophobicContact CG1-CD2 4.5Å; I82-W144 HydrophobicContact CG1-CG 3.75Å; I82-M188 HydrophobicContact CD1-CE 3.86Å; I82-M188 HydrophobicContact CD1-SD 3.78Å
83	W	95.6	Very high	92.1	Very high	6 Å²	6	33.6 Å²	33.6	2%	0.023	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	173.3	175.5	71.6	94.7	0	0	0	111.4	V52 V54 I110 W111 P113 T142 I143 L145	V52-W83 HydrophobicContact CG1-CB 4.29Å; V54-W83 HydrophobicContact CG2-CB 4.12Å; W83-I110 HydrophobicContact CH2-CD1 4.48Å; W83-I110 HydrophobicContact CZ2-CD1 3.95Å; W83-W111 AromaticContact CD1-CZ3 3.69Å; W83-W111 HydrophobicContact CD2-CZ3 4.38Å; W83-W111 HydrophobicContact CG-CZ3 4.12Å; W83-W111 VanDerWaalsContact CZ2-O 3.28Å; W83-W111 WeakPolarHBondContact CZ2-O 3.39Å; W83-W111 AromaticContact NE1-CE3 3.63Å; W83-W111 AromaticContact NE1-CZ3 3.68Å; W83-P113 HydrophobicContact CD2-CG 4.45Å; W83-P113 HydrophobicContact CE3-CG 3.93Å; W83-P113 HydrophobicContact CZ3-CG 4.04Å; W83-T142 CarbonylContact O-C 3.57Å; W83-T142 WeakPolarHBondContact O-CA 3.42Å; W83-I143 HydrophobicContact CD2-CB 4.28Å; W83-I143 HydrophobicContact CH2-CB 4.25Å; W83-I143 HydrophobicContact CH2-CG2 3.66Å; W83-I143 HydrophobicContact CZ2-CB 3.93Å; W83-I143 HydrophobicContact CZ2-CD1 4.02Å; W83-I143 HydrophobicContact CZ2-CG1 4.4Å; W83-I143 HydrophobicContact CZ2-CG2 3.71Å; W83-I143 HydrophobicContact CZ3-CG2 4.16Å; W83-I143 PolarHBondContact N-O 3.34Å; W83-I143 VanDerWaalsContact NE1-CD1 3.33Å; W83-I143 PolarHBondContact O-N 3.05Å; W83-L145 HydrophobicContact CH2-CB 3.93Å; W83-L145 HydrophobicContact CH2-CD2 3.78Å; W83-L145 HydrophobicContact CZ3-CB 3.73Å; W83-L145 HydrophobicContact CZ3-CD2 4.02Å
84	Y	95.6	Very high	91.6	Very high	120 Å²	120	32.9 Å²	32.9	47%	0.471	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.3	-179.8	-176.6	-104.9	0	0	0	110.4	P86 N140	Y84-P86 HydrophobicContact CE1-CB 3.86Å; Y84-P86 HydrophobicContact CE1-CG 4.14Å; Y84-N140 WeakPolarHBondContact CE2-O 3.25Å
85	D	95.3	Very high	91	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.			trans	-125.2	101.5	170.3	-170.1	-18.2	0	0	0	109.1	Y43 P48 R87 L88 G141 I143	Y43-D85 WeakPolarHBondContact CE2-OD2 3.42Å; Y43-D85 PolarHBondContact OH-OD2 2.99Å; P48-D85 HydrophobicContact CB-CB 4.14Å; P48-D85 HydrophobicContact CG-CB 4.45Å; D85-R87 PolarHBondContact O-N 3.09Å; D85-R87 VanDerWaalsContact OD1-CB 3.23Å; D85-R87 WeakPolarHBondContact OD1-CB 3.47Å; D85-R87 WeakPolarHBondContact OD1-CG 3.32Å; D85-R87 IonicContact OD1-CZ 2.63Å; D85-R87 PolarHBondContact OD1-N 3.04Å; D85-R87 IonicContact OD1-NE 3.24Å; D85-R87 PolarHBondContact OD1-NE 3.31Å; D85-R87 IonicContact OD1-NH2 3.49Å; D85-R87 IonicContact OD2-CZ 2.64Å; D85-R87 IonicContact OD2-NE 2.75Å; D85-R87 PolarHBondContact OD2-NE 2.87Å; D85-R87 IonicContact OD2-NH2 3.55Å; D85-R87 PolarHBondContact OD2-NH2 3.04Å; D85-L88 HydrophobicContact CB-CD1 4.4Å; D85-L88 HydrophobicContact CB-CG 4.48Å; D85-L88 PolarHBondContact O-N 3.15Å; D85-G141 PolarHBondContact N-O 2.97Å; D85-I143 HydrophobicContact CB-CD1 3.63Å
86	P	92.8	Very high	90.6	Very high	69 Å²	69	39 Å²	39	45%	0.448	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-64.3	-15.3	-176.8	27.2	-34.4	0	0	0	112.9	Y84 L88 A89	Y84-P86 HydrophobicContact CE1-CB 3.86Å; Y84-P86 HydrophobicContact CE1-CG 4.14Å; P86-L88 PolarHBondContact O-N 3.14Å; P86-A89 WeakPolarHBondContact O-CB 3.25Å; P86-A89 PolarHBondContact O-N 2.8Å
87	R	93	Very high	90.2	Very high	77 Å²	77	41.5 Å²	41.5	29%	0.291	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-73	-16.7	176.8	-53.2	171.4	-65.8	-178.1	2.8	112.6	Y43 S44 S46 D85	Y43-R87 HydrophobicContact CD2-CB 4.05Å; Y43-R87 HydrophobicContact CE2-CB 4Å; Y43-R87 PolarHBondContact OH-NH2 3.3Å; S44-R87 PolarHBondContact O-NH1 2.85Å; S46-R87 PolarHBondContact O-NH1 2.64Å; S46-R87 VanDerWaalsContact O-NH1 3.12Å; S46-R87 PolarHBondContact O-NH2 3.36Å; S46-R87 PolarHBondContact OG-NH1 2.95Å; D85-R87 PolarHBondContact O-N 3.09Å; D85-R87 VanDerWaalsContact OD1-CB 3.23Å; D85-R87 WeakPolarHBondContact OD1-CB 3.47Å; D85-R87 WeakPolarHBondContact OD1-CG 3.32Å; D85-R87 IonicContact OD1-CZ 2.63Å; D85-R87 PolarHBondContact OD1-N 3.04Å; D85-R87 IonicContact OD1-NE 3.24Å; D85-R87 PolarHBondContact OD1-NE 3.31Å; D85-R87 IonicContact OD1-NH2 3.49Å; D85-R87 IonicContact OD2-CZ 2.64Å; D85-R87 IonicContact OD2-NE 2.75Å; D85-R87 PolarHBondContact OD2-NE 2.87Å; D85-R87 IonicContact OD2-NH2 3.55Å; D85-R87 PolarHBondContact OD2-NH2 3.04Å
88	L	92.6	Very high	89.8	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-102.9	7.6	177.5	-60.5	178.6	0	0	0	112.7	I39 M40 Y43 D85 P86 Y90 I110 L137 I143	I39-L88 HydrophobicContact CG2-CD2 3.33Å; I39-L88 HydrophobicContact CG2-CG 4.5Å; M40-L88 HydrophobicContact SD-CD2 4.08Å; Y43-L88 HydrophobicContact CD2-CD2 3.43Å; Y43-L88 VanDerWaalsContact CD2-CD2 3.43Å; Y43-L88 HydrophobicContact CD2-CG 4.03Å; Y43-L88 HydrophobicContact CE2-CD1 3.98Å; Y43-L88 HydrophobicContact CE2-CD2 3.51Å; Y43-L88 HydrophobicContact CE2-CG 3.6Å; Y43-L88 HydrophobicContact CG-CD2 4.17Å; D85-L88 HydrophobicContact CB-CD1 4.4Å; D85-L88 HydrophobicContact CB-CG 4.48Å; D85-L88 PolarHBondContact O-N 3.15Å; P86-L88 PolarHBondContact O-N 3.14Å; L88-Y90 PolarHBondContact O-N 3.26Å; L88-I110 HydrophobicContact CD1-CB 4.25Å; L88-I110 HydrophobicContact CD1-CD1 4.34Å; L88-I110 HydrophobicContact CD1-CG2 3.86Å; L88-I110 HydrophobicContact CD2-CG2 4.49Å; L88-L137 HydrophobicContact CB-CD1 3.76Å; L88-L137 HydrophobicContact CB-CD2 4.25Å; L88-I143 HydrophobicContact CD1-CD1 3.79Å; L88-I143 HydrophobicContact CD1-CG1 4.27Å
89	A	92.5	Very high	89.6	Confident	22 Å²	22	48 Å²	48	18%	0.182	24%	0.241	C	C	.	.			trans	-72	117.9	179.2	0	0	0	0	0	112.1	P86 H92 N140	P86-A89 WeakPolarHBondContact O-CB 3.25Å; P86-A89 PolarHBondContact O-N 2.8Å; A89-H92 PolarHBondContact O-CE1 3.04Å; A89-H92 PolarHBondContact O-ND1 3.32Å; A89-N140 WeakPolarHBondContact CB-O 3.41Å
90	Y	90.5	Very high	89.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.			trans	-114.4	2.8	-171.4	69.1	-103.7	0	0	0	115.4	I35 L88 H92 L93 D94 R97 Q98 N99 L100 L137 P139	I35-Y90 HydrophobicContact CG2-CG 4.28Å; L88-Y90 PolarHBondContact O-N 3.26Å; Y90-H92 PolarHBondContact O-N 3.02Å; Y90-H92 VanDerWaalsContact O-N 3.16Å; Y90-L93 WeakPolarHBondContact O-CB 3.41Å; Y90-L93 PolarHBondContact O-N 3.38Å; Y90-D94 PolarHBondContact O-N 3.2Å; Y90-R97 HydrophobicContact CE2-CB 4.23Å; Y90-R97 HydrophobicContact CE2-CG 4.13Å; Y90-Q98 PolarHBondContact OH-O 3.03Å; Y90-N99 VanDerWaalsContact OH-C 3.31Å; Y90-N99 WeakPolarHBondContact OH-CA 3.41Å; Y90-L100 HydrophobicContact CD1-CD1 4Å; Y90-L100 HydrophobicContact CE1-CB 4.32Å; Y90-L100 HydrophobicContact CE1-CD1 3.64Å; Y90-L100 HydrophobicContact CE1-CG 4.06Å; Y90-L100 HydrophobicContact CE2-CD1 4.27Å; Y90-L100 HydrophobicContact CG-CD1 4.42Å; Y90-L100 PolarHBondContact OH-N 3.46Å; Y90-L137 HydrophobicContact CD1-CD2 3.78Å; Y90-L137 HydrophobicContact CD1-CG 4.03Å; Y90-L137 HydrophobicContact CE1-CB 4.38Å; Y90-L137 HydrophobicContact CE1-CD2 3.93Å; Y90-L137 HydrophobicContact CE1-CG 3.81Å; Y90-L137 PolarHBondContact OH-O 2.92Å; Y90-P139 HydrophobicContact CD2-CB 4.23Å; Y90-P139 HydrophobicContact CE1-CB 4.49Å; Y90-P139 HydrophobicContact CE2-CB 3.73Å; Y90-P139 PolarHBondContact N-O 3.15Å; Y90-P139 VanDerWaalsContact N-O 3.1Å
91	S	87.8	Confident	89.4	Confident	49 Å²	49	51.5 Å²	51.5	34%	0.343	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-47.4	175.7	52.7	0	0	0	0	112.7	L93 D94 N95 P139	S91-L93 PolarHBondContact O-N 3.43Å; S91-D94 CarbonylContact O-C 3.45Å; S91-D94 PolarHBondContact O-N 3.27Å; S91-D94 VanDerWaalsContact O-N 3.17Å; S91-N95 PolarHBondContact O-N 3.3Å; S91-N95 VanDerWaalsContact O-N 3.16Å; S91-N95 PolarHBondContact O-OD1 2.89Å; S91-P139 WeakPolarHBondContact CB-O 3.44Å; S91-P139 PolarHBondContact N-O 2.71Å
92	H	85.8	Confident	89.2	Confident	140 Å²	140	53.1 Å²	53.1	65%	0.648	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.4	178.5	73.7	-84.5	0	0	0	115.4	A89 Y90	A89-H92 PolarHBondContact O-CE1 3.04Å; A89-H92 PolarHBondContact O-ND1 3.32Å; Y90-H92 PolarHBondContact O-N 3.02Å; Y90-H92 VanDerWaalsContact O-N 3.16Å
93	L	83.6	Confident	88.8	Confident	34 Å²	34	53.5 Å²	53.5	18%	0.178	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-37.2	176.2	-59.4	175.2	0	0	0	112.5	L30 I35 V38 I39 Y90 S91	L30-L93 HydrophobicContact CD1-CB 4.15Å; I35-L93 HydrophobicContact CG2-CD1 4.18Å; V38-L93 HydrophobicContact CB-CD1 4.32Å; V38-L93 HydrophobicContact CG1-CD1 4.01Å; V38-L93 HydrophobicContact CG1-CD2 4.3Å; I39-L93 HydrophobicContact CG1-CD1 4.21Å; Y90-L93 WeakPolarHBondContact O-CB 3.41Å; Y90-L93 PolarHBondContact O-N 3.38Å; S91-L93 PolarHBondContact O-N 3.43Å
94	D	81.7	Confident	88.6	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.016	28%	0.281	C	S	.	.			trans	-149.2	76.5	-174.8	-167.4	2.6	0	0	0	112.3	P28 I35 Y90 S91 C96 R97	P28-D94 VanDerWaalsContact CA-OD1 3.3Å; P28-D94 WeakPolarHBondContact CA-OD1 3.17Å; P28-D94 WeakPolarHBondContact CB-OD1 3.43Å; P28-D94 VanDerWaalsContact CB-OD2 3.29Å; P28-D94 WeakPolarHBondContact CB-OD2 3.35Å; I35-D94 HydrophobicContact CD1-CB 3.82Å; Y90-D94 PolarHBondContact O-N 3.2Å; S91-D94 CarbonylContact O-C 3.45Å; S91-D94 PolarHBondContact O-N 3.27Å; S91-D94 VanDerWaalsContact O-N 3.17Å; D94-C96 PolarHBondContact O-N 2.86Å; D94-C96 WeakPolarHBondContact OD1-CB 3.47Å; D94-C96 PolarHBondContact OD1-N 3.31Å; D94-R97 HydrophobicContact CB-CB 4.22Å; D94-R97 PolarHBondContact O-N 3.47Å; D94-R97 VanDerWaalsContact O-N 3.09Å; D94-R97 VanDerWaalsContact OD2-CB 3.3Å; D94-R97 WeakPolarHBondContact OD2-CB 3.39Å; D94-R97 IonicContact OD2-CZ 3.26Å; D94-R97 IonicContact OD2-NE 3.05Å; D94-R97 PolarHBondContact OD2-NE 3.11Å; D94-R97 IonicContact OD2-NH2 3.31Å; D94-R97 PolarHBondContact OD2-NH2 3.01Å
95	N	78.5	Confident	88.3	Confident	109 Å²	109	56.5 Å²	56.5	58%	0.583	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-18.9	172.5	-87.7	3.3	0	0	0	113.9	C25 S91	C25-N95 VanDerWaalsContact SG-C 3.51Å; S91-N95 PolarHBondContact O-N 3.3Å; S91-N95 VanDerWaalsContact O-N 3.16Å; S91-N95 PolarHBondContact O-OD1 2.89Å
96	C	82.2	Confident	88	Confident	43 Å²	43	57 Å²	57	29%	0.291	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.1	-176.2	-56.9	0	0	0	0	112.9	C25 K27 P28 D94	C25-C96 VanDerWaalsContact C-SG 3.57Å; C25-C96 HydrophobicContact CB-CB 3.78Å; C25-C96 WeakPolarHBondContact CB-SG 3.19Å; C25-C96 WeakPolarHBondContact SG-CA 3.42Å; C25-C96 WeakPolarHBondContact SG-CB 3.48Å; C25-C96 PolarHBondContact SG-N 3.04Å; C25-C96 CovalentContact SG-SG 2.03Å; C25-C96 PolarHBondContact SG-SG 3.37Å; K27-C96 PolarHBondContact O-SG 3.03Å; P28-C96 HydrophobicContact CB-CB 4.42Å; D94-C96 PolarHBondContact O-N 2.86Å; D94-C96 WeakPolarHBondContact OD1-CB 3.47Å; D94-C96 PolarHBondContact OD1-N 3.31Å
97	R	84.1	Confident	87.9	Confident	60 Å²	60	55 Å²	55	23%	0.226	28%	0.275	C	S	.	.			trans	-103.7	113.9	-171.8	-178.6	178	-53.1	-81.7	-6.8	110.7	Y90 D94	Y90-R97 HydrophobicContact CE2-CB 4.23Å; Y90-R97 HydrophobicContact CE2-CG 4.13Å; D94-R97 HydrophobicContact CB-CB 4.22Å; D94-R97 PolarHBondContact O-N 3.47Å; D94-R97 VanDerWaalsContact O-N 3.09Å; D94-R97 VanDerWaalsContact OD2-CB 3.3Å; D94-R97 WeakPolarHBondContact OD2-CB 3.39Å; D94-R97 IonicContact OD2-CZ 3.26Å; D94-R97 IonicContact OD2-NE 3.05Å; D94-R97 PolarHBondContact OD2-NE 3.11Å; D94-R97 IonicContact OD2-NH2 3.31Å; D94-R97 PolarHBondContact OD2-NH2 3.01Å
98	Q	83.8	Confident	87.7	Confident	157 Å²	157	56.2 Å²	56.2	73%	0.734	28%	0.282	S	S	*	.			trans	-65	-74.5	173.2	-68.4	177.4	-17.3	0	0	110.4	Y90 P139	Y90-Q98 PolarHBondContact OH-O 3.03Å; Q98-P139 WeakPolarHBondContact O-CD 3.31Å; Q98-P139 WeakPolarHBondContact O-CG 3.24Å
99	N	90.3	Very high	87.7	Confident	72 Å²	72	60.8 Å²	60.8	39%	0.385	31%	0.306	S	S	.	.			trans	-119.6	151	-170.6	-58.9	-4.3	0	0	0	112.9	Y90 M136	Y90-N99 VanDerWaalsContact OH-C 3.31Å; Y90-N99 WeakPolarHBondContact OH-CA 3.41Å; N99-M136 HydrophobicContact CB-CG 3.89Å; N99-M136 HydrophobicContact CB-SD 3.75Å; N99-M136 PolarHBondContact ND2-SD 3.21Å
100	L	90.5	Very high	87.7	Confident	9 Å²	9	59.8 Å²	59.8	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.4	168.4	-78.7	172	0	0	0	109.8	P32 I35 Y90 F102 M136 L137	P32-L100 HydrophobicContact CB-CD2 3.84Å; P32-L100 HydrophobicContact CG-CD2 4.22Å; I35-L100 HydrophobicContact CG2-CD1 4.12Å; Y90-L100 HydrophobicContact CD1-CD1 4Å; Y90-L100 HydrophobicContact CE1-CB 4.32Å; Y90-L100 HydrophobicContact CE1-CD1 3.64Å; Y90-L100 HydrophobicContact CE1-CG 4.06Å; Y90-L100 HydrophobicContact CE2-CD1 4.27Å; Y90-L100 HydrophobicContact CG-CD1 4.42Å; Y90-L100 PolarHBondContact OH-N 3.46Å; L100-F102 HydrophobicContact CB-CD2 4.48Å; L100-F102 HydrophobicContact CB-CE2 3.56Å; L100-F102 HydrophobicContact CB-CZ 3.77Å; L100-F102 HydrophobicContact CD1-CZ 4.14Å; L100-F102 HydrophobicContact CG-CZ 4.43Å; L100-M136 CarbonylContact O-C 3.55Å; L100-M136 WeakPolarHBondContact O-CA 3.5Å; L100-L137 HydrophobicContact CB-CB 4.41Å; L100-L137 PolarHBondContact N-O 3.04Å; L100-L137 PolarHBondContact O-N 3.36Å
101	S	91.5	Very high	87.9	Confident	79 Å²	79	60 Å²	60	55%	0.552	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.9	178.3	-53.3	0	0	0	0	111.6	L135	S101-L135 CarbonylContact C-O 3.48Å; S101-L135 WeakPolarHBondContact CA-O 3.45Å
102	F	90.9	Very high	88.1	Confident	36 Å²	36	58 Å²	58	16%	0.158	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.5	-172	-58.9	-85.8	0	0	0	112.6	L36 L100 F106 L135 L137	L36-F102 HydrophobicContact CD1-CE1 3.57Å; L36-F102 HydrophobicContact CD1-CZ 3.56Å; L36-F102 HydrophobicContact CD2-CE1 3.99Å; L36-F102 HydrophobicContact CG-CE1 4.4Å; L100-F102 HydrophobicContact CB-CD2 4.48Å; L100-F102 HydrophobicContact CB-CE2 3.56Å; L100-F102 HydrophobicContact CB-CZ 3.77Å; L100-F102 HydrophobicContact CD1-CZ 4.14Å; L100-F102 HydrophobicContact CG-CZ 4.43Å; F102-F106 HydrophobicContact CB-CB 3.68Å; F102-F106 HydrophobicContact CB-CD1 3.96Å; F102-F106 HydrophobicContact CB-CG 4.07Å; F102-F106 HydrophobicContact CD1-CB 4.16Å; F102-F106 HydrophobicContact CD1-CD1 4.06Å; F102-F106 HydrophobicContact CD1-CD2 4.43Å; F102-F106 AromaticContact CD1-CG 3.95Å; F102-F106 HydrophobicContact CD1-CG 3.95Å; F102-F106 AromaticContact CD2-CD1 3.68Å; F102-F106 HydrophobicContact CD2-CD1 3.68Å; F102-F106 HydrophobicContact CD2-CE1 4.02Å; F102-F106 HydrophobicContact CD2-CG 4.38Å; F102-F106 HydrophobicContact CE1-CD1 4.47Å; F102-F106 HydrophobicContact CE1-CG 4.46Å; F102-F106 HydrophobicContact CE2-CD1 4.09Å; F102-F106 AromaticContact CE2-CE1 3.98Å; F102-F106 HydrophobicContact CE2-CE1 3.98Å; F102-F106 HydrophobicContact CG-CB 4.04Å; F102-F106 AromaticContact CG-CD1 3.64Å; F102-F106 HydrophobicContact CG-CD1 3.64Å; F102-F106 HydrophobicContact CG-CE1 4.34Å; F102-F106 AromaticContact CG-CG 3.89Å; F102-F106 HydrophobicContact CG-CG 3.89Å; F102-F106 HydrophobicContact CZ-CD1 4.47Å; F102-F106 HydrophobicContact CZ-CE1 4.3Å; F102-L135 HydrophobicContact CB-CB 4.47Å; F102-L135 HydrophobicContact CD2-CD2 4Å; F102-L135 PolarHBondContact N-O 3Å; F102-L135 PolarHBondContact O-N 3.03Å; F102-L137 HydrophobicContact CE2-CB 3.99Å; F102-L137 HydrophobicContact CE2-CD2 4.41Å
103	D	87.4	Confident	88.4	Confident	38 Å²	38	51.4 Å²	51.4	20%	0.203	25%	0.254	C	S	.	.			trans	-96.5	177.2	174.3	73.7	5.3	0	0	0	113.1	R105 F106 K130	D103-R105 PolarHBondContact O-N 2.98Å; D103-R105 WeakPolarHBondContact OD1-CB 3.22Å; D103-R105 IonicContact OD1-CZ 2.92Å; D103-R105 PolarHBondContact OD1-N 3.06Å; D103-R105 IonicContact OD1-NE 2.86Å; D103-R105 PolarHBondContact OD1-NE 3.29Å; D103-R105 IonicContact OD1-NH2 3.52Å; D103-R105 PolarHBondContact OD1-NH2 2.88Å; D103-R105 IonicContact OD2-CZ 3.37Å; D103-R105 IonicContact OD2-NE 3.1Å; D103-R105 PolarHBondContact OD2-NE 2.74Å; D103-R105 VanDerWaalsContact OD2-NE 3.1Å; D103-R105 IonicContact OD2-NH2 2.81Å; D103-R105 PolarHBondContact OD2-NH2 3.35Å; D103-F106 PolarHBondContact O-N 2.97Å; D103-K130 IonicContact OD2-NZ 2.71Å; D103-K130 PolarHBondContact OD2-NZ 2.97Å
104	D	89.4	Confident	88.7	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-57.6	-8.4	-174.6	84.6	-57.1	0	0	0	115.1	K108 P131 V133	D104-K108 VanDerWaalsContact O-CE 3.32Å; D104-K108 WeakPolarHBondContact O-CE 3.33Å; D104-K108 PolarHBondContact O-NZ 3.31Å; D104-K108 IonicContact OD2-NZ 3.41Å; D104-K108 PolarHBondContact OD2-NZ 3.37Å; D104-P131 HydrophobicContact CB-CB 4.27Å; D104-V133 HydrophobicContact CB-CB 4.13Å; D104-V133 HydrophobicContact CB-CG2 4.1Å
105	R	89.8	Confident	89.2	Confident	162 Å²	162	54.1 Å²	54.1	61%	0.611	27%	0.27	S	S	*	.	H	α-helix	trans	-80.6	-30.9	175.3	-62.2	174.1	-66.7	155	1.6	112.3	D103	D103-R105 PolarHBondContact O-N 2.98Å; D103-R105 WeakPolarHBondContact OD1-CB 3.22Å; D103-R105 IonicContact OD1-CZ 2.92Å; D103-R105 PolarHBondContact OD1-N 3.06Å; D103-R105 IonicContact OD1-NE 2.86Å; D103-R105 PolarHBondContact OD1-NE 3.29Å; D103-R105 IonicContact OD1-NH2 3.52Å; D103-R105 PolarHBondContact OD1-NH2 2.88Å; D103-R105 IonicContact OD2-CZ 3.37Å; D103-R105 IonicContact OD2-NE 3.1Å; D103-R105 PolarHBondContact OD2-NE 2.74Å; D103-R105 VanDerWaalsContact OD2-NE 3.1Å; D103-R105 IonicContact OD2-NH2 2.81Å; D103-R105 PolarHBondContact OD2-NH2 3.35Å
106	F	89.1	Confident	89.8	Confident	9 Å²	9	51 Å²	51	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-77.7	-35.7	-177.5	-172.4	-113.2	0	0	0	112.7	L36 M40 F102 D103 K108 L109 I110 L135	L36-F106 HydrophobicContact CD1-CD2 4.13Å; L36-F106 HydrophobicContact CD1-CE1 4.5Å; L36-F106 HydrophobicContact CD1-CE2 3.4Å; L36-F106 VanDerWaalsContact CD1-CE2 3.4Å; L36-F106 HydrophobicContact CD1-CZ 3.62Å; L36-F106 HydrophobicContact CD2-CD2 4.09Å; L36-F106 HydrophobicContact CD2-CE2 4.05Å; L36-F106 HydrophobicContact CG-CD2 4.5Å; L36-F106 HydrophobicContact CG-CE2 3.96Å; M40-F106 HydrophobicContact CE-CE2 3.83Å; M40-F106 HydrophobicContact CE-CZ 4.36Å; M40-F106 HydrophobicContact CG-CE2 4.12Å; M40-F106 HydrophobicContact SD-CE2 3.76Å; M40-F106 HydrophobicContact SD-CZ 3.94Å; F102-F106 HydrophobicContact CB-CB 3.68Å; F102-F106 HydrophobicContact CB-CD1 3.96Å; F102-F106 HydrophobicContact CB-CG 4.07Å; F102-F106 HydrophobicContact CD1-CB 4.16Å; F102-F106 HydrophobicContact CD1-CD1 4.06Å; F102-F106 HydrophobicContact CD1-CD2 4.43Å; F102-F106 AromaticContact CD1-CG 3.95Å; F102-F106 HydrophobicContact CD1-CG 3.95Å; F102-F106 AromaticContact CD2-CD1 3.68Å; F102-F106 HydrophobicContact CD2-CD1 3.68Å; F102-F106 HydrophobicContact CD2-CE1 4.02Å; F102-F106 HydrophobicContact CD2-CG 4.38Å; F102-F106 HydrophobicContact CE1-CD1 4.47Å; F102-F106 HydrophobicContact CE1-CG 4.46Å; F102-F106 HydrophobicContact CE2-CD1 4.09Å; F102-F106 AromaticContact CE2-CE1 3.98Å; F102-F106 HydrophobicContact CE2-CE1 3.98Å; F102-F106 HydrophobicContact CG-CB 4.04Å; F102-F106 AromaticContact CG-CD1 3.64Å; F102-F106 HydrophobicContact CG-CD1 3.64Å; F102-F106 HydrophobicContact CG-CE1 4.34Å; F102-F106 AromaticContact CG-CG 3.89Å; F102-F106 HydrophobicContact CG-CG 3.89Å; F102-F106 HydrophobicContact CZ-CD1 4.47Å; F102-F106 HydrophobicContact CZ-CE1 4.3Å; D103-F106 PolarHBondContact O-N 2.97Å; F106-K108 PolarHBondContact O-N 3.04Å; F106-L109 HydrophobicContact CD2-CD1 4.23Å; F106-L109 WeakPolarHBondContact O-CB 3.5Å; F106-L109 PolarHBondContact O-N 2.96Å; F106-I110 HydrophobicContact CD1-CG2 4.37Å; F106-I110 HydrophobicContact CE1-CG2 3.7Å; F106-I110 HydrophobicContact CE2-CG2 4.07Å; F106-I110 HydrophobicContact CZ-CG2 3.51Å; F106-I110 PolarHBondContact O-N 2.94Å; F106-L135 HydrophobicContact CD1-CD1 3.92Å; F106-L135 HydrophobicContact CD1-CD2 3.89Å; F106-L135 HydrophobicContact CE1-CD2 4.18Å
107	E	90.2	Very high	90.4	Very high	29 Å²	29	49.6 Å²	49.6	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-49.9	-45.5	173.5	-178	-79.9	136.7	0	0	111.7	L109 I110 S112 L135 L145	E107-L109 PolarHBondContact O-N 3.01Å; E107-L109 VanDerWaalsContact O-N 3.17Å; E107-I110 WeakPolarHBondContact O-CG1 3.41Å; E107-I110 PolarHBondContact O-N 3.39Å; E107-S112 PolarHBondContact OE1-OG 2.87Å; E107-L135 HydrophobicContact CB-CD1 3.81Å; E107-L135 HydrophobicContact CG-CD1 4.46Å; E107-L145 HydrophobicContact CG-CD1 4.06Å; E107-L145 HydrophobicContact CG-CD2 3.96Å
108	K	90.5	Very high	90.8	Very high	102 Å²	102	49.9 Å²	49.9	44%	0.443	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.6	-179	-58.3	175.3	-168.6	116.1	0	114.2	R45 D104 F106	R45-K108 PolarHBondContact NE-O 3.39Å; R45-K108 PolarHBondContact NH1-O 2.9Å; R45-K108 PolarHBondContact NH2-O 2.97Å; D104-K108 VanDerWaalsContact O-CE 3.32Å; D104-K108 WeakPolarHBondContact O-CE 3.33Å; D104-K108 PolarHBondContact O-NZ 3.31Å; D104-K108 IonicContact OD2-NZ 3.41Å; D104-K108 PolarHBondContact OD2-NZ 3.37Å; F106-K108 PolarHBondContact O-N 3.04Å
109	L	91.3	Very high	91.2	Very high	97 Å²	97	44 Å²	44	51%	0.508	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-28.1	177.9	-59.6	176.4	0	0	0	112.5	M40 R45 F106 E107	M40-L109 HydrophobicContact CE-CB 3.59Å; R45-L109 WeakPolarHBondContact CD-O 3.37Å; R45-L109 VanDerWaalsContact CG-O 3.24Å; R45-L109 WeakPolarHBondContact CG-O 3.19Å; F106-L109 HydrophobicContact CD2-CD1 4.23Å; F106-L109 WeakPolarHBondContact O-CB 3.5Å; F106-L109 PolarHBondContact O-N 2.96Å; E107-L109 PolarHBondContact O-N 3.01Å; E107-L109 VanDerWaalsContact O-N 3.17Å
110	I	93.3	Very high	91.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-92.9	170.3	-179.2	67.2	163.3	0	0	0	112.4	M40 Y43 R45 W83 L88 F106 E107 L135 I143	M40-I110 HydrophobicContact CE-CG2 3.95Å; M40-I110 HydrophobicContact SD-CG2 4.27Å; Y43-I110 HydrophobicContact CE1-CB 4.12Å; Y43-I110 HydrophobicContact CE1-CG2 4.42Å; R45-I110 VanDerWaalsContact CZ-O 3.26Å; R45-I110 PolarHBondContact NE-O 2.96Å; R45-I110 PolarHBondContact NH2-O 3.34Å; W83-I110 HydrophobicContact CH2-CD1 4.48Å; W83-I110 HydrophobicContact CZ2-CD1 3.95Å; L88-I110 HydrophobicContact CD1-CB 4.25Å; L88-I110 HydrophobicContact CD1-CD1 4.34Å; L88-I110 HydrophobicContact CD1-CG2 3.86Å; L88-I110 HydrophobicContact CD2-CG2 4.49Å; F106-I110 HydrophobicContact CD1-CG2 4.37Å; F106-I110 HydrophobicContact CE1-CG2 3.7Å; F106-I110 HydrophobicContact CE2-CG2 4.07Å; F106-I110 HydrophobicContact CZ-CG2 3.51Å; F106-I110 PolarHBondContact O-N 2.94Å; E107-I110 WeakPolarHBondContact O-CG1 3.41Å; E107-I110 PolarHBondContact O-N 3.39Å; I110-L135 HydrophobicContact CD1-CD1 3.83Å; I110-L135 HydrophobicContact CG1-CD1 4.38Å; I110-I143 HydrophobicContact CD1-CG2 4.3Å
111	W	94.1	Very high	91.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.015	24%	0.242	C	C	.	.			trans	-72.1	134	163.7	178.7	83.1	0	0	0	109.7	Y43 L47 P48 V52 W83 P113 Y178 V183	Y43-W111 WeakPolarHBondContact OH-CB 3.44Å; Y43-W111 PolarHBondContact OH-N 3.12Å; L47-W111 HydrophobicContact CD2-CH2 4.42Å; L47-W111 HydrophobicContact CD2-CZ2 3.54Å; P48-W111 HydrophobicContact CG-CD2 4.46Å; P48-W111 HydrophobicContact CG-CE3 3.95Å; P48-W111 HydrophobicContact CG-CZ3 4.09Å; V52-W111 HydrophobicContact CB-CH2 4.05Å; V52-W111 HydrophobicContact CG1-CH2 3.89Å; V52-W111 HydrophobicContact CG1-CZ3 3.95Å; V52-W111 HydrophobicContact CG2-CH2 3.97Å; V52-W111 HydrophobicContact CG2-CZ2 4.44Å; V52-W111 HydrophobicContact CG2-CZ3 4.46Å; W83-W111 AromaticContact CD1-CZ3 3.69Å; W83-W111 HydrophobicContact CD2-CZ3 4.38Å; W83-W111 HydrophobicContact CG-CZ3 4.12Å; W83-W111 VanDerWaalsContact CZ2-O 3.28Å; W83-W111 WeakPolarHBondContact CZ2-O 3.39Å; W83-W111 AromaticContact NE1-CE3 3.63Å; W83-W111 AromaticContact NE1-CZ3 3.68Å; W111-P113 HydrophobicContact CH2-CB 3.7Å; W111-P113 HydrophobicContact CZ2-CB 4.28Å; W111-P113 HydrophobicContact CZ3-CB 4.14Å; W111-Y178 HydrophobicContact CZ2-CD2 4.25Å; W111-Y178 AromaticContact CZ2-CE2 3.81Å; W111-Y178 HydrophobicContact CZ2-CE2 3.81Å; W111-Y178 AromaticContact NE1-CE2 3.68Å; W111-Y178 AromaticContact NE1-CZ 3.44Å; W111-Y178 PolarHBondContact NE1-OH 3.24Å; W111-V183 HydrophobicContact CH2-CG2 4.11Å; W111-V183 HydrophobicContact CZ2-CG2 3.92Å
112	S	92.1	Very high	91.5	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.049	23%	0.229	C	C	.	.			trans	-127.3	147.3	173	48.6	0	0	0	0	109.9	E107 N114	E107-S112 PolarHBondContact OE1-OG 2.87Å; S112-N114 PolarHBondContact O-N 3.5Å; S112-N114 VanDerWaalsContact O-N 3.16Å
113	P	91.9	Very high	91.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.013	24%	0.241	C	C	.	.			trans	-76.1	-0.4	-168.1	29	-36.4	0	0	0	115.3	V54 W83 W111 V115 V183	V54-P113 HydrophobicContact CG1-CB 4.29Å; V54-P113 HydrophobicContact CG1-CG 4.04Å; V54-P113 HydrophobicContact CG2-CB 3.69Å; V54-P113 HydrophobicContact CG2-CG 4.2Å; W83-P113 HydrophobicContact CD2-CG 4.45Å; W83-P113 HydrophobicContact CE3-CG 3.93Å; W83-P113 HydrophobicContact CZ3-CG 4.04Å; W111-P113 HydrophobicContact CH2-CB 3.7Å; W111-P113 HydrophobicContact CZ2-CB 4.28Å; W111-P113 HydrophobicContact CZ3-CB 4.14Å; P113-V115 HydrophobicContact CB-CG2 4.16Å; P113-V115 HydrophobicContact CG-CG2 4.19Å; P113-V115 PolarHBondContact O-N 3.3Å; P113-V183 HydrophobicContact CB-CG1 4.45Å
114	N	90	Very high	92	Very high	74 Å²	74	50.4 Å²	50.4	40%	0.396	26%	0.259	S	S	.	.			trans	48.9	40	-178.7	-66.4	-12.9	0	0	0	114.3	S112 C116 Y176 S177	S112-N114 PolarHBondContact O-N 3.5Å; S112-N114 VanDerWaalsContact O-N 3.16Å; N114-C116 PolarHBondContact O-N 3.14Å; N114-Y176 PolarHBondContact O-N 3.08Å; N114-S177 PolarHBondContact ND2-OG 3.4Å
115	V	92.3	Very high	92.2	Very high	21 Å²	21	51.4 Å²	51.4	13%	0.127	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.9	171.5	-174.8	0	0	0	0	109	V54 V56 F79 P113 F173 E174 V185	V54-V115 HydrophobicContact CG1-CG2 4.3Å; V56-V115 HydrophobicContact CG1-CG1 4.47Å; F79-V115 HydrophobicContact CE1-CB 4.2Å; F79-V115 HydrophobicContact CE1-CG1 4.33Å; F79-V115 HydrophobicContact CE2-CG1 4.31Å; F79-V115 HydrophobicContact CZ-CB 3.79Å; F79-V115 HydrophobicContact CZ-CG1 3.57Å; P113-V115 HydrophobicContact CB-CG2 4.16Å; P113-V115 HydrophobicContact CG-CG2 4.19Å; P113-V115 PolarHBondContact O-N 3.3Å; V115-F173 HydrophobicContact CG1-CB 4.31Å; V115-E174 CarbonylContact C-O 3.53Å; V115-E174 VanDerWaalsContact CA-O 3.32Å; V115-E174 WeakPolarHBondContact CA-O 3.48Å; V115-V185 HydrophobicContact CG1-CG1 4.46Å; V115-V185 HydrophobicContact CG2-CG2 3.84Å
116	C	92.1	Very high	92.4	Very high	42 Å²	42	45.3 Å²	45.3	28%	0.284	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	168.6	178.8	76.1	0	0	0	0	111	N114 F173 E174	N114-C116 PolarHBondContact O-N 3.14Å; C116-F173 WeakPolarHBondContact O-CA 3.4Å; C116-E174 PolarHBondContact N-O 3.42Å; C116-E174 PolarHBondContact O-N 2.87Å
117	I	93.6	Very high	92.6	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.077	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	99.7	174.2	-47.7	-179.8	0	0	0	107.9	I77 N119 T120 I149 V151 L171 V172 F173	I77-I117 HydrophobicContact CD1-CD1 3.93Å; I117-N119 VanDerWaalsContact C-N 3.33Å; I117-N119 PolarHBondContact O-N 3.3Å; I117-T120 HydrophobicContact CB-CG2 3.63Å; I117-T120 HydrophobicContact CG2-CG2 3.53Å; I117-T120 WeakPolarHBondContact O-CG2 3.47Å; I117-T120 PolarHBondContact O-OG1 3.36Å; I117-I149 HydrophobicContact CD1-CD1 3.82Å; I117-V151 HydrophobicContact CD1-CB 4.42Å; I117-V151 HydrophobicContact CD1-CG2 4.03Å; I117-L171 HydrophobicContact CG2-CB 4.14Å; I117-L171 HydrophobicContact CG2-CD2 4.1Å; I117-V172 CarbonylContact C-O 3.47Å; I117-V172 VanDerWaalsContact CA-O 3.27Å; I117-V172 WeakPolarHBondContact CA-O 3.11Å; I117-V172 WeakPolarHBondContact CG2-O 3.46Å; I117-F173 HydrophobicContact CD1-CD1 4.4Å; I117-F173 HydrophobicContact CD1-CE1 3.57Å; I117-F173 HydrophobicContact CD1-CZ 3.68Å; I117-F173 HydrophobicContact CG1-CD1 3.78Å; I117-F173 HydrophobicContact CG1-CE1 3.46Å; I117-F173 VanDerWaalsContact CG1-CE1 3.46Å; I117-F173 HydrophobicContact CG1-CG 4.49Å; I117-F173 HydrophobicContact CG1-CZ 3.91Å
118	V	92.1	Very high	92.5	Very high	66 Å²	66	57.6 Å²	57.6	40%	0.4	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.8	-167.5	-66.3	0	0	0	0	113.2	T120 V172 E174	V118-T120 VanDerWaalsContact C-N 3.3Å; V118-T120 PolarHBondContact O-N 2.96Å; V118-V172 HydrophobicContact CG2-CB 3.83Å; V118-V172 HydrophobicContact CG2-CG1 3.71Å; V118-V172 PolarHBondContact N-O 3.23Å; V118-E174 HydrophobicContact CG1-CB 3.85Å; V118-E174 HydrophobicContact CG1-CG 4.17Å; V118-E174 HydrophobicContact CG2-CG 4.14Å
119	N	92.4	Very high	92.5	Very high	34 Å²	34	59.3 Å²	59.3	18%	0.182	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	47.2	179.7	74.9	-42	0	0	0	112.6	I117 S153 P154 Q170 L171 V172	I117-N119 VanDerWaalsContact C-N 3.33Å; I117-N119 PolarHBondContact O-N 3.3Å; N119-S153 PolarHBondContact ND2-OG 3.42Å; N119-S153 PolarHBondContact O-OG 2.85Å; N119-P154 WeakPolarHBondContact O-CD 3.4Å; N119-Q170 PolarHBondContact ND2-O 3.44Å; N119-L171 WeakPolarHBondContact OD1-CA 3.48Å; N119-V172 HydrophobicContact CB-CG2 4.45Å; N119-V172 PolarHBondContact OD1-N 3.41Å
120	T	94.1	Very high	92.5	Very high	48 Å²	48	59.8 Å²	59.8	29%	0.294	32%	0.324	S	S	.	.			trans	-110.7	142.1	-179.3	51.6	0	0	0	0	113.7	I117 V118 V151	I117-T120 HydrophobicContact CB-CG2 3.63Å; I117-T120 HydrophobicContact CG2-CG2 3.53Å; I117-T120 WeakPolarHBondContact O-CG2 3.47Å; I117-T120 PolarHBondContact O-OG1 3.36Å; V118-T120 VanDerWaalsContact C-N 3.3Å; V118-T120 PolarHBondContact O-N 2.96Å; T120-V151 HydrophobicContact CG2-CG2 3.37Å
121	K	91.8	Very high	92.5	Very high	104 Å²	104	61.6 Å²	61.6	45%	0.452	34%	0.336	S	S	.	.	S	Bend	trans	-80.4	-40.3	166.8	-64.5	-173.4	-177.1	-179.8	0	110.5	S70 N71 S72 Q152	S70-K121 PolarHBondContact O-NZ 2.84Å; N71-K121 PolarHBondContact O-NZ 3.05Å; S72-K121 PolarHBondContact OG-NZ 3.02Å; K121-Q152 HydrophobicContact CB-CG 4.37Å; K121-Q152 PolarHBondContact N-O 2.91Å
122	S	93.3	Very high	92.4	Very high	39 Å²	39	63.7 Å²	63.7	27%	0.273	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	150.5	172.5	65	0	0	0	0	110.5	Q152	S122-Q152 PolarHBondContact N-O 3.45Å; S122-Q152 PolarHBondContact O-N 2.84Å; S122-Q152 WeakPolarHBondContact OG-CB 3.32Å; S122-Q152 PolarHBondContact OG-OE1 2.84Å
123	A	94.2	Very high	92.5	Very high	51 Å²	51	64.3 Å²	64.3	42%	0.421	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	129.4	174.2	0	0	0	0	0	109.9	R150	A123-R150 CarbonylContact C-O 3.47Å; A123-R150 WeakPolarHBondContact CA-O 3.34Å
124	H	94.3	Very high	92.5	Very high	125 Å²	125	68.2 Å²	68.2	58%	0.579	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	121.6	-172.4	-63	-27.9	0	0	0	111.3	H126 I149 R150	H124-H126 PolarHBondContact O-N 2.96Å; H124-I149 WeakPolarHBondContact O-CA 3.44Å; H124-R150 PolarHBondContact N-O 3.17Å; H124-R150 PolarHBondContact O-N 2.91Å
125	V	94.6	Very high	92.7	Very high	49 Å²	49	64.7 Å²	64.7	30%	0.297	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.7	170.8	-173.4	0	0	0	0	109.1	V133 Y147 I149	V125-V133 HydrophobicContact CG1-CG2 4.03Å; V125-Y147 HydrophobicContact CG1-CD1 4.45Å; V125-Y147 HydrophobicContact CG2-CD1 4.15Å; V125-I149 HydrophobicContact CB-CG2 4.5Å; V125-I149 HydrophobicContact CG2-CG2 4.03Å
126	H	93.6	Very high	92.8	Very high	34 Å²	34	65.1 Å²	65.1	16%	0.157	35%	0.353	C	S	.	.			trans	-60.3	147.4	177.6	-81.5	-109.9	0	0	0	111.4	D76 H124 P131 N132 R148	D76-H126 IonicContact OD1-CD2 2.84Å; D76-H126 IonicContact OD1-CE1 3.68Å; D76-H126 PolarHBondContact OD1-CE1 3.18Å; D76-H126 IonicContact OD1-NE2 3.68Å; D76-H126 PolarHBondContact OD1-NE2 3.5Å; D76-H126 IonicContact OD2-CE1 3.98Å; D76-H126 PolarHBondContact OD2-CE1 3.5Å; D76-H126 IonicContact OD2-NE2 3.4Å; D76-H126 PolarHBondContact OD2-NE2 2.94Å; H124-H126 PolarHBondContact O-N 2.96Å; H126-P131 WeakPolarHBondContact O-CA 3.47Å; H126-N132 HydrophobicContact CB-CB 4.09Å; H126-N132 VanDerWaalsContact CB-ND2 3.33Å; H126-N132 WeakPolarHBondContact CB-ND2 3.31Å; H126-N132 PolarHBondContact O-N 3.48Å; H126-R148 HydrophobicContact CB-CG 4.19Å; H126-R148 PolarHBondContact CD2-O 3.08Å; H126-R148 PolarHBondContact N-O 3.11Å
127	R	93.3	Very high	92.9	Very high	197 Å²	197	63.1 Å²	63.1	74%	0.743	34%	0.34	S	S	*	.	B	Isolated β-bridge	trans	-137.9	113.7	179.7	-54	-175.6	-176.8	-171.4	-0.1	111.3	K130	R127-K130 CarbonylContact C-O 3.56Å; R127-K130 VanDerWaalsContact CA-O 3.27Å; R127-K130 WeakPolarHBondContact CA-O 3.31Å
128	S	87.9	Confident	92.9	Very high	98 Å²	98	64.6 Å²	64.6	69%	0.685	35%	0.348	S	S	*	.	S	Bend	trans	-165.6	108	167.2	-170.3	0	0	0	0	111.8	K130	S128-K130 PolarHBondContact N-O 3.47Å
129	P	90.8	Very high	92.9	Very high	139 Å²	139	63.3 Å²	63.3	90%	0.903	34%	0.341	S	S	*	.	S	Bend	cis	-80.4	-15.7	-16.6	34.3	-35.2	0	0	0	113
130	K	91.1	Very high	92.9	Very high	107 Å²	107	64.9 Å²	64.9	47%	0.465	35%	0.349	S	S	.	.	S	Bend	trans	-100.1	168.1	173.6	-78.6	-172.9	173.9	-178.1	0	110.8	D103 R127 S128 N132	D103-K130 IonicContact OD2-NZ 2.71Å; D103-K130 PolarHBondContact OD2-NZ 2.97Å; R127-K130 CarbonylContact C-O 3.56Å; R127-K130 VanDerWaalsContact CA-O 3.27Å; R127-K130 WeakPolarHBondContact CA-O 3.31Å; S128-K130 PolarHBondContact N-O 3.47Å; K130-N132 PolarHBondContact O-OD1 3.24Å
131	P	93.7	Very high	92.8	Very high	38 Å²	38	62.6 Å²	62.6	25%	0.247	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-58.7	134.7	166.4	-22.6	35.6	0	0	0	112	D104 H126 V133	D104-P131 HydrophobicContact CB-CB 4.27Å; H126-P131 WeakPolarHBondContact O-CA 3.47Å; P131-V133 VanDerWaalsContact C-N 3.26Å; P131-V133 HydrophobicContact CB-CG2 4.18Å; P131-V133 PolarHBondContact O-N 3.12Å
132	N	92.3	Very high	93	Very high	47 Å²	47	59 Å²	59	25%	0.251	32%	0.322	S	S	.	.			trans	-82.8	72.5	-178	-66	-3.8	0	0	0	110.3	H126 K130 R148	H126-N132 HydrophobicContact CB-CB 4.09Å; H126-N132 VanDerWaalsContact CB-ND2 3.33Å; H126-N132 WeakPolarHBondContact CB-ND2 3.31Å; H126-N132 PolarHBondContact O-N 3.48Å; K130-N132 PolarHBondContact O-OD1 3.24Å; N132-R148 HydrophobicContact CB-CB 3.92Å; N132-R148 PolarHBondContact O-N 2.72Å; N132-R148 VanDerWaalsContact O-N 3.09Å
133	V	93.5	Very high	93.1	Very high	21 Å²	21	57.2 Å²	57.2	13%	0.127	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.1	175.5	-169.6	0	0	0	0	108.2	D104 V125 P131 L145 Y147	D104-V133 HydrophobicContact CB-CB 4.13Å; D104-V133 HydrophobicContact CB-CG2 4.1Å; V125-V133 HydrophobicContact CG1-CG2 4.03Å; P131-V133 VanDerWaalsContact C-N 3.26Å; P131-V133 HydrophobicContact CB-CG2 4.18Å; P131-V133 PolarHBondContact O-N 3.12Å; V133-L145 HydrophobicContact CG1-CD1 3.62Å; V133-Y147 HydrophobicContact CB-CD1 4.32Å; V133-Y147 HydrophobicContact CB-CE1 4.42Å; V133-Y147 HydrophobicContact CG1-CD1 3.89Å; V133-Y147 HydrophobicContact CG1-CE1 3.71Å; V133-Y147 HydrophobicContact CG2-CD1 3.67Å; V133-Y147 HydrophobicContact CG2-CE1 3.8Å
134	L	91.6	Very high	93.1	Very high	84 Å²	84	59.2 Å²	59.2	44%	0.44	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.7	171.3	171	65.7	0	0	0	108.3	L145 N146	L134-L145 WeakPolarHBondContact O-CA 3.38Å; L134-N146 HydrophobicContact CB-CB 4.47Å; L134-N146 PolarHBondContact N-O 2.69Å; L134-N146 PolarHBondContact O-N 3.05Å
135	L	94.1	Very high	93.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.3	171	-169.4	168.3	0	0	0	108.2	S101 F102 F106 E107 I110 I143 W144 L145	S101-L135 CarbonylContact C-O 3.48Å; S101-L135 WeakPolarHBondContact CA-O 3.45Å; F102-L135 HydrophobicContact CB-CB 4.47Å; F102-L135 HydrophobicContact CD2-CD2 4Å; F102-L135 PolarHBondContact N-O 3Å; F102-L135 PolarHBondContact O-N 3.03Å; F106-L135 HydrophobicContact CD1-CD1 3.92Å; F106-L135 HydrophobicContact CD1-CD2 3.89Å; F106-L135 HydrophobicContact CE1-CD2 4.18Å; E107-L135 HydrophobicContact CB-CD1 3.81Å; E107-L135 HydrophobicContact CG-CD1 4.46Å; I110-L135 HydrophobicContact CD1-CD1 3.83Å; I110-L135 HydrophobicContact CG1-CD1 4.38Å; L135-I143 HydrophobicContact CD2-CG2 3.91Å; L135-I143 HydrophobicContact CG-CG2 4.11Å; L135-W144 WeakPolarHBondContact CA-O 3.41Å; L135-L145 HydrophobicContact CB-CD1 4.03Å; L135-L145 HydrophobicContact CD1-CD1 4.32Å; L135-L145 HydrophobicContact CG-CD1 4.22Å
136	M	94.3	Very high	93	Very high	29 Å²	29	52 Å²	52	14%	0.143	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.5	176.9	-170.1	168.3	63.7	0	0	110.5	N99 L100 L138 I143 W144	N99-M136 HydrophobicContact CB-CG 3.89Å; N99-M136 HydrophobicContact CB-SD 3.75Å; N99-M136 PolarHBondContact ND2-SD 3.21Å; L100-M136 CarbonylContact O-C 3.55Å; L100-M136 WeakPolarHBondContact O-CA 3.5Å; M136-L138 HydrophobicContact CE-CD1 4.3Å; M136-L138 HydrophobicContact CG-CD1 4.45Å; M136-I143 WeakPolarHBondContact O-CA 3.21Å; M136-W144 HydrophobicContact CE-CD2 4.42Å; M136-W144 HydrophobicContact CE-CE3 3.44Å; M136-W144 VanDerWaalsContact CE-CE3 3.44Å; M136-W144 HydrophobicContact CE-CZ3 3.85Å; M136-W144 PolarHBondContact N-O 3.41Å; M136-W144 PolarHBondContact O-N 2.75Å
137	L	94.3	Very high	93	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.1	176.1	-177.4	65.3	0	0	0	108.9	L88 Y90 L100 F102 I143	L88-L137 HydrophobicContact CB-CD1 3.76Å; L88-L137 HydrophobicContact CB-CD2 4.25Å; Y90-L137 HydrophobicContact CD1-CD2 3.78Å; Y90-L137 HydrophobicContact CD1-CG 4.03Å; Y90-L137 HydrophobicContact CE1-CB 4.38Å; Y90-L137 HydrophobicContact CE1-CD2 3.93Å; Y90-L137 HydrophobicContact CE1-CG 3.81Å; Y90-L137 PolarHBondContact OH-O 2.92Å; L100-L137 HydrophobicContact CB-CB 4.41Å; L100-L137 PolarHBondContact N-O 3.04Å; L100-L137 PolarHBondContact O-N 3.36Å; F102-L137 HydrophobicContact CE2-CB 3.99Å; F102-L137 HydrophobicContact CE2-CD2 4.41Å; L137-I143 HydrophobicContact CD1-CD1 4.39Å; L137-I143 HydrophobicContact CD1-CG1 3.57Å
138	L	94.2	Very high	93.1	Very high	46 Å²	46	46.8 Å²	46.8	24%	0.241	25%	0.249	C	C	.	.			trans	-90.2	158.9	175.2	-77	69.7	0	0	0	109.4	M136 N140 G141 T142	M136-L138 HydrophobicContact CE-CD1 4.3Å; M136-L138 HydrophobicContact CG-CD1 4.45Å; L138-N140 VanDerWaalsContact CB-OD1 3.24Å; L138-N140 WeakPolarHBondContact CB-OD1 3.27Å; L138-N140 PolarHBondContact O-N 2.97Å; L138-N140 VanDerWaalsContact O-N 3.17Å; L138-G141 PolarHBondContact O-N 3.05Å; L138-T142 WeakPolarHBondContact CB-O 3.27Å; L138-T142 HydrophobicContact CD2-CG2 4.38Å; L138-T142 PolarHBondContact N-O 2.96Å
139	P	91.6	Very high	93.4	Very high	38 Å²	38	42.9 Å²	42.9	25%	0.247	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-15.3	-166.1	29.8	-25.7	0	0	0	112.5	Y90 S91 Q98	Y90-P139 HydrophobicContact CD2-CB 4.23Å; Y90-P139 HydrophobicContact CE1-CB 4.49Å; Y90-P139 HydrophobicContact CE2-CB 3.73Å; Y90-P139 PolarHBondContact N-O 3.15Å; Y90-P139 VanDerWaalsContact N-O 3.1Å; S91-P139 WeakPolarHBondContact CB-O 3.44Å; S91-P139 PolarHBondContact N-O 2.71Å; Q98-P139 WeakPolarHBondContact O-CD 3.31Å; Q98-P139 WeakPolarHBondContact O-CG 3.24Å
140	N	92.3	Very high	93.6	Very high	68 Å²	68	40.9 Å²	40.9	36%	0.364	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.1	172.3	69.6	-26.3	0	0	0	113.9	Y84 A89 L138 T142	Y84-N140 WeakPolarHBondContact CE2-O 3.25Å; A89-N140 WeakPolarHBondContact CB-O 3.41Å; L138-N140 VanDerWaalsContact CB-OD1 3.24Å; L138-N140 WeakPolarHBondContact CB-OD1 3.27Å; L138-N140 PolarHBondContact O-N 2.97Å; L138-N140 VanDerWaalsContact O-N 3.17Å; N140-T142 PolarHBondContact ND2-OG1 2.85Å; N140-T142 WeakPolarHBondContact OD1-CB 3.2Å; N140-T142 PolarHBondContact OD1-N 3.18Å; N140-T142 PolarHBondContact OD1-OG1 3.44Å
141	G	92.3	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	93	8.3	-173.5	0	0	0	0	0	115.2	D85 L138	D85-G141 PolarHBondContact N-O 2.97Å; L138-G141 PolarHBondContact O-N 3.05Å
142	T	95.2	Very high	93.8	Very high	29 Å²	29	36.8 Å²	36.8	18%	0.178	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.5	165.2	-61.9	0	0	0	0	109.7	I82 W83 L138 N140	I82-T142 HydrophobicContact CG2-CG2 3.73Å; W83-T142 CarbonylContact O-C 3.57Å; W83-T142 WeakPolarHBondContact O-CA 3.42Å; L138-T142 WeakPolarHBondContact CB-O 3.27Å; L138-T142 HydrophobicContact CD2-CG2 4.38Å; L138-T142 PolarHBondContact N-O 2.96Å; N140-T142 PolarHBondContact ND2-OG1 2.85Å; N140-T142 WeakPolarHBondContact OD1-CB 3.2Å; N140-T142 PolarHBondContact OD1-N 3.18Å; N140-T142 PolarHBondContact OD1-OG1 3.44Å
143	I	95.4	Very high	93.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.5	174.3	-58.4	119.9	0	0	0	108.5	I82 W83 D85 L88 I110 L135 M136 L137	I82-I143 VanDerWaalsContact CA-O 3.27Å; I82-I143 WeakPolarHBondContact CA-O 3.46Å; W83-I143 HydrophobicContact CD2-CB 4.28Å; W83-I143 HydrophobicContact CH2-CB 4.25Å; W83-I143 HydrophobicContact CH2-CG2 3.66Å; W83-I143 HydrophobicContact CZ2-CB 3.93Å; W83-I143 HydrophobicContact CZ2-CD1 4.02Å; W83-I143 HydrophobicContact CZ2-CG1 4.4Å; W83-I143 HydrophobicContact CZ2-CG2 3.71Å; W83-I143 HydrophobicContact CZ3-CG2 4.16Å; W83-I143 PolarHBondContact N-O 3.34Å; W83-I143 VanDerWaalsContact NE1-CD1 3.33Å; W83-I143 PolarHBondContact O-N 3.05Å; D85-I143 HydrophobicContact CB-CD1 3.63Å; L88-I143 HydrophobicContact CD1-CD1 3.79Å; L88-I143 HydrophobicContact CD1-CG1 4.27Å; I110-I143 HydrophobicContact CD1-CG2 4.3Å; L135-I143 HydrophobicContact CD2-CG2 3.91Å; L135-I143 HydrophobicContact CG-CG2 4.11Å; M136-I143 WeakPolarHBondContact O-CA 3.21Å; L137-I143 HydrophobicContact CD1-CD1 4.39Å; L137-I143 HydrophobicContact CD1-CG1 3.57Å
144	W	94.8	Very high	93.9	Very high	92 Å²	92	36.3 Å²	36.3	35%	0.348	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.9	166.9	-179.7	7.7	0	0	0	108.5	S80 I82 L135 M136	S80-W144 PolarHBondContact OG-NE1 3.05Å; I82-W144 HydrophobicContact CD1-CB 4.34Å; I82-W144 HydrophobicContact CD1-CD2 4.14Å; I82-W144 HydrophobicContact CD1-CG 3.9Å; I82-W144 HydrophobicContact CG1-CB 3.95Å; I82-W144 HydrophobicContact CG1-CD2 4.5Å; I82-W144 HydrophobicContact CG1-CG 3.75Å; L135-W144 WeakPolarHBondContact CA-O 3.41Å; M136-W144 HydrophobicContact CE-CD2 4.42Å; M136-W144 HydrophobicContact CE-CE3 3.44Å; M136-W144 VanDerWaalsContact CE-CE3 3.44Å; M136-W144 HydrophobicContact CE-CZ3 3.85Å; M136-W144 PolarHBondContact N-O 3.41Å; M136-W144 PolarHBondContact O-N 2.75Å
145	L	94.4	Very high	93.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.9	179	175.1	59.5	0	0	0	108.9	S81 W83 E107 V133 L134 L135 Y147	S81-L145 PolarHBondContact N-O 3.34Å; S81-L145 PolarHBondContact O-N 2.92Å; S81-L145 PolarHBondContact OG-O 2.92Å; W83-L145 HydrophobicContact CH2-CB 3.93Å; W83-L145 HydrophobicContact CH2-CD2 3.78Å; W83-L145 HydrophobicContact CZ3-CB 3.73Å; W83-L145 HydrophobicContact CZ3-CD2 4.02Å; E107-L145 HydrophobicContact CG-CD1 4.06Å; E107-L145 HydrophobicContact CG-CD2 3.96Å; V133-L145 HydrophobicContact CG1-CD1 3.62Å; L134-L145 WeakPolarHBondContact O-CA 3.38Å; L135-L145 HydrophobicContact CB-CD1 4.03Å; L135-L145 HydrophobicContact CD1-CD1 4.32Å; L135-L145 HydrophobicContact CG-CD1 4.22Å; L145-Y147 HydrophobicContact CD1-CE2 3.99Å; L145-Y147 HydrophobicContact CD2-CE2 3.66Å; L145-Y147 HydrophobicContact CG-CD2 4.2Å; L145-Y147 HydrophobicContact CG-CE2 3.55Å
146	N	93.5	Very high	93.6	Very high	22 Å²	22	38 Å²	38	12%	0.118	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.5	-179.5	-178.7	-84.7	0	0	0	110.8	F79 S80 L134	F79-N146 CarbonylContact O-C 3.6Å; F79-N146 WeakPolarHBondContact O-CA 3.23Å; S80-N146 PolarHBondContact OG-ND2 3.26Å; L134-N146 HydrophobicContact CB-CB 4.47Å; L134-N146 PolarHBondContact N-O 2.69Å; L134-N146 PolarHBondContact O-N 3.05Å
147	Y	93.8	Very high	93.3	Very high	45 Å²	45	37.4 Å²	37.4	18%	0.176	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127	175.3	-65.1	-93.1	0	0	0	110.5	W78 F79 V125 V133 L145	W78-Y147 CarbonylContact C-O 3.58Å; W78-Y147 WeakPolarHBondContact CA-O 3.26Å; F79-Y147 HydrophobicContact CD1-CD2 4.25Å; F79-Y147 PolarHBondContact N-O 3.29Å; F79-Y147 PolarHBondContact O-N 3.17Å; V125-Y147 HydrophobicContact CG1-CD1 4.45Å; V125-Y147 HydrophobicContact CG2-CD1 4.15Å; V133-Y147 HydrophobicContact CB-CD1 4.32Å; V133-Y147 HydrophobicContact CB-CE1 4.42Å; V133-Y147 HydrophobicContact CG1-CD1 3.89Å; V133-Y147 HydrophobicContact CG1-CE1 3.71Å; V133-Y147 HydrophobicContact CG2-CD1 3.67Å; V133-Y147 HydrophobicContact CG2-CE1 3.8Å; L145-Y147 HydrophobicContact CD1-CE2 3.99Å; L145-Y147 HydrophobicContact CD2-CE2 3.66Å; L145-Y147 HydrophobicContact CG-CD2 4.2Å; L145-Y147 HydrophobicContact CG-CE2 3.55Å
148	R	93.5	Very high	93	Very high	75 Å²	75	41.8 Å²	41.8	28%	0.283	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	109.9	164.9	179.8	170.9	-177	-145.4	-5.2	109.4	Q61 H126 N132	Q61-R148 VanDerWaalsContact OE1-CZ 3.23Å; Q61-R148 VanDerWaalsContact OE1-NH2 3.13Å; H126-R148 HydrophobicContact CB-CG 4.19Å; H126-R148 PolarHBondContact CD2-O 3.08Å; H126-R148 PolarHBondContact N-O 3.11Å; N132-R148 HydrophobicContact CB-CB 3.92Å; N132-R148 PolarHBondContact O-N 2.72Å; N132-R148 VanDerWaalsContact O-N 3.09Å
149	I	94.6	Very high	92.6	Very high	17 Å²	17	39.8 Å²	39.8	9%	0.087	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.7	-173.7	66.8	178.4	0	0	0	112.2	I77 F79 I117 H124 V125	I77-I149 HydrophobicContact CD1-CD1 4.15Å; I77-I149 HydrophobicContact CD1-CG1 4.25Å; I77-I149 HydrophobicContact CG1-CD1 4.05Å; I77-I149 HydrophobicContact CG1-CG1 3.59Å; I77-I149 PolarHBondContact N-O 2.96Å; I77-I149 PolarHBondContact O-N 3.4Å; I77-I149 VanDerWaalsContact O-O 3.1Å; F79-I149 HydrophobicContact CB-CD1 4.33Å; I117-I149 HydrophobicContact CD1-CD1 3.82Å; H124-I149 WeakPolarHBondContact O-CA 3.44Å; V125-I149 HydrophobicContact CB-CG2 4.5Å; V125-I149 HydrophobicContact CG2-CG2 4.03Å
150	R	94.9	Very high	92.5	Very high	96 Å²	96	39.4 Å²	39.4	36%	0.362	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.1	160.2	-171.7	157.8	-65.8	178.1	-6.5	108	M64 T74 A75 D76 A123 H124	M64-R150 HydrophobicContact SD-CG 4.49Å; M64-R150 PolarHBondContact SD-NE 3.17Å; M64-R150 PolarHBondContact SD-NH2 3.32Å; M64-R150 VanDerWaalsContact SD-NH2 3.38Å; T74-R150 HydrophobicContact CG2-CG 3.93Å; A75-R150 WeakPolarHBondContact O-CA 3.37Å; D76-R150 VanDerWaalsContact OD1-CA 3.32Å; D76-R150 WeakPolarHBondContact OD1-CA 3.3Å; D76-R150 WeakPolarHBondContact OD1-CB 3.39Å; D76-R150 WeakPolarHBondContact OD1-CG 3.28Å; D76-R150 IonicContact OD1-CZ 3.45Å; D76-R150 IonicContact OD1-NE 2.76Å; D76-R150 PolarHBondContact OD1-NE 3.28Å; D76-R150 IonicContact OD1-NH2 3.31Å; D76-R150 PolarHBondContact OD1-NH2 3.44Å; D76-R150 IonicContact OD2-CZ 3.57Å; D76-R150 IonicContact OD2-NE 2.78Å; D76-R150 IonicContact OD2-NH2 3.49Å; D76-R150 PolarHBondContact OD2-NH2 3.33Å; A123-R150 CarbonylContact C-O 3.47Å; A123-R150 WeakPolarHBondContact CA-O 3.34Å; H124-R150 PolarHBondContact N-O 3.17Å; H124-R150 PolarHBondContact O-N 2.91Å
151	V	95.1	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.2	179	59.5	0	0	0	0	110.3	T74 A75 I77 I117 T120 L171	T74-V151 CarbonylContact C-O 3.57Å; T74-V151 WeakPolarHBondContact CA-O 3.35Å; A75-V151 HydrophobicContact CB-CG1 4.17Å; A75-V151 PolarHBondContact N-O 2.6Å; A75-V151 WeakPolarHBondContact O-CG1 3.46Å; A75-V151 PolarHBondContact O-N 2.88Å; I77-V151 HydrophobicContact CD1-CG1 3.85Å; I77-V151 HydrophobicContact CG1-CG1 4.04Å; I77-V151 HydrophobicContact CG2-CG1 4.41Å; I117-V151 HydrophobicContact CD1-CB 4.42Å; I117-V151 HydrophobicContact CD1-CG2 4.03Å; T120-V151 HydrophobicContact CG2-CG2 3.37Å; V151-L171 HydrophobicContact CG1-CD1 4.24Å; V151-L171 HydrophobicContact CG2-CD2 4.03Å
152	Q	95.3	Very high	91.8	Very high	59 Å²	59	43.2 Å²	43.2	28%	0.276	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.8	169.7	-169.6	-171.1	29.1	0	0	108.7	F73 K121 S122	F73-Q152 WeakPolarHBondContact O-CA 3.45Å; K121-Q152 HydrophobicContact CB-CG 4.37Å; K121-Q152 PolarHBondContact N-O 2.91Å; S122-Q152 PolarHBondContact N-O 3.45Å; S122-Q152 PolarHBondContact O-N 2.84Å; S122-Q152 WeakPolarHBondContact OG-CB 3.32Å; S122-Q152 PolarHBondContact OG-OE1 2.84Å
153	S	93.8	Very high	91.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.2	-174.2	165.7	0	0	0	0	110.1	S72 F73 N119 Q170	S72-S153 CarbonylContact C-O 3.6Å; S72-S153 WeakPolarHBondContact CA-O 3.46Å; S72-S153 WeakPolarHBondContact CB-O 3.27Å; F73-S153 VanDerWaalsContact CD1-O 3.3Å; F73-S153 WeakPolarHBondContact CD1-O 3.4Å; F73-S153 VanDerWaalsContact CE1-OG 3.24Å; F73-S153 WeakPolarHBondContact CE1-OG 3.14Å; F73-S153 PolarHBondContact N-O 3.48Å; F73-S153 PolarHBondContact O-N 3.49Å; N119-S153 PolarHBondContact ND2-OG 3.42Å; N119-S153 PolarHBondContact O-OG 2.85Å; S153-Q170 PolarHBondContact OG-O 3.08Å
154	P	93.9	Very high	90.4	Very high	58 Å²	58	43.9 Å²	43.9	38%	0.377	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	138.7	174	30.7	-29.7	0	0	0	110.4	N71 N119	N71-P154 VanDerWaalsContact O-CA 3.29Å; N71-P154 WeakPolarHBondContact O-CA 3.47Å; N119-P154 WeakPolarHBondContact O-CD 3.4Å
155	C	90.6	Very high	89.7	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.034	21%	0.211	C	C	.	.			trans	-131	124.5	172.7	-175.2	0	0	0	0	108.6	N71 F73 M157 C169	N71-C155 CarbonylContact C-O 3.48Å; N71-C155 WeakPolarHBondContact CB-O 3.27Å; N71-C155 PolarHBondContact O-N 3.45Å; N71-C155 VanDerWaalsContact O-N 3.08Å; F73-C155 HydrophobicContact CD1-CB 3.84Å; F73-C155 HydrophobicContact CE1-CB 4.36Å; C155-M157 HydrophobicContact CB-CE 4.39Å; C155-M157 PolarHBondContact O-N 3.33Å; C155-C169 HydrophobicContact CB-CB 3.74Å; C155-C169 WeakPolarHBondContact CB-SG 3.26Å; C155-C169 WeakPolarHBondContact SG-CA 3.37Å; C155-C169 WeakPolarHBondContact SG-CB 3.48Å; C155-C169 CovalentContact SG-SG 2.04Å; C155-C169 PolarHBondContact SG-SG 3.24Å
156	S	88.9	Confident	88.9	Confident	116 Å²	116	45.3 Å²	45.3	81%	0.811	24%	0.235	S	C	*	.			trans	-86.3	101.8	179.4	-174.4	0	0	0	0	108.3
157	M	86.4	Confident	88.3	Confident	15 Å²	15	46 Å²	46	7%	0.074	24%	0.238	C	C	.	.			trans	-89.5	136.9	-172.5	-55.5	-176.3	-152.1	0	0	111.9	L66 V68 C155 L159 Q167	L66-M157 HydrophobicContact CD1-CE 3.39Å; L66-M157 HydrophobicContact CD1-SD 4.11Å; L66-M157 HydrophobicContact CD2-SD 4.29Å; L66-M157 HydrophobicContact CG-CE 3.72Å; L66-M157 HydrophobicContact CG-SD 3.98Å; V68-M157 HydrophobicContact CB-SD 4.1Å; V68-M157 HydrophobicContact CG1-SD 3.96Å; V68-M157 HydrophobicContact CG2-SD 3.94Å; C155-M157 HydrophobicContact CB-CE 4.39Å; C155-M157 PolarHBondContact O-N 3.33Å; M157-L159 HydrophobicContact CB-CD2 4.32Å; M157-Q167 HydrophobicContact CB-CG 4.4Å; M157-Q167 HydrophobicContact CG-CG 4.33Å
158	D	87.8	Confident	87.9	Confident	94 Å²	94	52.8 Å²	52.8	50%	0.503	26%	0.264	S	S	.	.			trans	-100.3	109.3	169.2	180	12.7	0	0	0	110.3	A160 Q167	D158-A160 WeakPolarHBondContact OD1-CB 3.49Å; D158-A160 PolarHBondContact OD1-N 2.92Å; D158-Q167 PolarHBondContact O-NE2 3.32Å
159	L	87.7	Confident	87.5	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	27%	0.266	C	S	.	.			trans	-95.6	6.9	-176.2	-55.6	174.6	0	0	0	112.5	V68 M157 R161 F162 L263 P264 V266 Y268 K270	V68-L159 HydrophobicContact CG1-CD1 3.62Å; V68-L159 HydrophobicContact CG1-CD2 3.73Å; V68-L159 HydrophobicContact CG1-CG 4.25Å; M157-L159 HydrophobicContact CB-CD2 4.32Å; L159-R161 PolarHBondContact O-N 2.73Å; L159-R161 VanDerWaalsContact O-N 3.09Å; L159-F162 HydrophobicContact CB-CB 4.25Å; L159-F162 HydrophobicContact CD2-CD2 4.44Å; L159-F162 VanDerWaalsContact O-CB 3.27Å; L159-F162 WeakPolarHBondContact O-CB 3.29Å; L159-F162 PolarHBondContact O-N 3.43Å; L159-L263 HydrophobicContact CD1-CD2 4.24Å; L159-P264 HydrophobicContact CD1-CG 3.73Å; L159-V266 HydrophobicContact CD1-CG1 4.2Å; L159-Y268 HydrophobicContact CB-CE2 4.15Å; L159-Y268 PolarHBondContact N-OH 3.15Å; L159-K270 HydrophobicContact CB-CD 4.08Å; L159-K270 HydrophobicContact CB-CG 4.49Å; L159-K270 WeakPolarHBondContact O-CG 3.5Å
160	A	88.1	Confident	87.2	Confident	31 Å²	31	57.2 Å²	57.2	26%	0.256	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.3	-178.7	0	0	0	0	0	112.7	D158 Y268 K270 A271	D158-A160 WeakPolarHBondContact OD1-CB 3.49Å; D158-A160 PolarHBondContact OD1-N 2.92Å; A160-Y268 HydrophobicContact CB-CD2 4.24Å; A160-Y268 HydrophobicContact CB-CE2 4.22Å; A160-K270 CarbonylContact O-C 3.59Å; A160-A271 PolarHBondContact O-N 3.05Å
161	R	84.8	Confident	87	Confident	105 Å²	105	54.8 Å²	54.8	40%	0.396	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	6.6	177.9	-68.3	179	171.9	-177.2	-9.5	114.9	L159 I164 D165 Y414 D417	L159-R161 PolarHBondContact O-N 2.73Å; L159-R161 VanDerWaalsContact O-N 3.09Å; R161-I164 CarbonylContact O-C 3.59Å; R161-I164 PolarHBondContact O-N 2.83Å; R161-D165 HydrophobicContact CB-CB 4.23Å; R161-Y414 HydrophobicContact CG-CD1 4.44Å; R161-Y414 HydrophobicContact CG-CE1 4.41Å; R161-D417 IonicContact CZ-OD2 2.77Å; R161-D417 IonicContact NH1-OD2 3.57Å; R161-D417 PolarHBondContact NH1-OD2 3.15Å; R161-D417 IonicContact NH2-OD2 3.39Å; R161-D417 PolarHBondContact NH2-OD2 3.48Å
162	F	85.3	Confident	86.7	Confident	43 Å²	43	57 Å²	57	19%	0.189	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	129.6	-178.3	179.9	-85.7	0	0	0	112.1	L159 D165 L216 L263 I272	L159-F162 HydrophobicContact CB-CB 4.25Å; L159-F162 HydrophobicContact CD2-CD2 4.44Å; L159-F162 VanDerWaalsContact O-CB 3.27Å; L159-F162 WeakPolarHBondContact O-CB 3.29Å; L159-F162 PolarHBondContact O-N 3.43Å; F162-D165 VanDerWaalsContact CA-OD1 3.32Å; F162-D165 WeakPolarHBondContact CA-OD1 3.49Å; F162-L216 HydrophobicContact CE1-CD2 4.46Å; F162-L263 HydrophobicContact CD1-CD1 3.86Å; F162-L263 HydrophobicContact CD1-CD2 4.3Å; F162-L263 HydrophobicContact CD2-CD2 3.98Å; F162-L263 HydrophobicContact CE1-CD1 3.66Å; F162-L263 HydrophobicContact CE1-CD2 4.21Å; F162-L263 HydrophobicContact CE1-CG 4.41Å; F162-L263 HydrophobicContact CE2-CD2 3.87Å; F162-L263 HydrophobicContact CG-CD2 4.19Å; F162-L263 HydrophobicContact CZ-CD1 4.15Å; F162-L263 HydrophobicContact CZ-CD2 3.98Å; F162-L263 HydrophobicContact CZ-CG 4.42Å; F162-I272 HydrophobicContact CD1-CB 4.4Å; F162-I272 HydrophobicContact CD1-CG2 3.86Å; F162-I272 HydrophobicContact CE1-CG2 4.49Å; F162-I272 PolarHBondContact O-N 3.21Å
163	P	82.1	Confident	86.5	Confident	15 Å²	15	55.5 Å²	55.5	10%	0.097	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	cis	-102.6	24.5	14.1	43.3	-40.5	0	0	0	115.1	D165 H213 L216 Y217	P163-D165 VanDerWaalsContact C-OD1 3.27Å; P163-D165 WeakPolarHBondContact CA-OD1 3.29Å; P163-H213 PolarHBondContact O-CE1 3.13Å; P163-H213 PolarHBondContact O-ND1 3.1Å; P163-H213 VanDerWaalsContact O-ND1 3.1Å; P163-L216 HydrophobicContact CB-CD2 4.22Å; P163-L216 HydrophobicContact CG-CD2 3.73Å; P163-Y217 VanDerWaalsContact CD-OH 3.3Å; P163-Y217 WeakPolarHBondContact CD-OH 3.29Å; P163-Y217 HydrophobicContact CG-CE2 3.78Å
164	I	78.9	Confident	86.4	Confident	29 Å²	29	60.6 Å²	60.6	15%	0.149	32%	0.316	C	S	.	.	S	Bend	trans	-119.4	41	-178.2	-35.7	-179.9	0	0	0	109.3	R161 W411 L415 V418	R161-I164 CarbonylContact O-C 3.59Å; R161-I164 PolarHBondContact O-N 2.83Å; I164-W411 HydrophobicContact CD1-CZ3 3.87Å; I164-L415 HydrophobicContact CD1-CD2 3.9Å; I164-V418 HydrophobicContact CG2-CG2 3.69Å
165	D	79.4	Confident	86.2	Confident	40 Å²	40	58.7 Å²	58.7	21%	0.214	30%	0.304	C	S	.	.			trans	-89	169	-177.6	50.2	-61.5	0	0	0	112.6	R161 F162 P163 Q167	R161-D165 HydrophobicContact CB-CB 4.23Å; F162-D165 VanDerWaalsContact CA-OD1 3.32Å; F162-D165 WeakPolarHBondContact CA-OD1 3.49Å; P163-D165 VanDerWaalsContact C-OD1 3.27Å; P163-D165 WeakPolarHBondContact CA-OD1 3.29Å; D165-Q167 PolarHBondContact OD2-NE2 3.32Å
166	T	79.1	Confident	86.1	Confident	84 Å²	84	67.5 Å²	67.5	52%	0.515	34%	0.338	S	S	.	.			trans	-138.8	117.8	179.1	-61	0	0	0	0	107.8	Y168	T166-Y168 HydrophobicContact CG2-CE2 4.07Å
167	Q	81.2	Confident	86.1	Confident	37 Å²	37	64.9 Å²	64.9	17%	0.173	32%	0.32	C	S	.	.			trans	-106.6	131.2	-170.8	-56.2	-55.7	-17.4	0	0	111.7	L66 M157 D158 D165	L66-Q167 HydrophobicContact CD2-CB 4.29Å; L66-Q167 HydrophobicContact CD2-CG 4.24Å; M157-Q167 HydrophobicContact CB-CG 4.4Å; M157-Q167 HydrophobicContact CG-CG 4.33Å; D158-Q167 PolarHBondContact O-NE2 3.32Å; D165-Q167 PolarHBondContact OD2-NE2 3.32Å
168	Y	83.8	Confident	86.4	Confident	187 Å²	187	67 Å²	67	73%	0.733	33%	0.327	S	S	*	.			trans	-105.9	97.7	-178.5	-65.2	-82.8	0	0	0	110.2	T166	T166-Y168 HydrophobicContact CG2-CE2 4.07Å
169	C	86.3	Confident	86.5	Confident	47 Å²	47	67.2 Å²	67.2	32%	0.318	33%	0.329	S	S	.	.			trans	-103.9	135.4	179	-53.6	0	0	0	0	110.4	F73 C155	F73-C169 HydrophobicContact CD1-CB 3.71Å; F73-C169 HydrophobicContact CE1-CB 3.55Å; F73-C169 HydrophobicContact CE2-CB 4.38Å; F73-C169 HydrophobicContact CG-CB 4.19Å; F73-C169 HydrophobicContact CZ-CB 3.89Å; C155-C169 HydrophobicContact CB-CB 3.74Å; C155-C169 WeakPolarHBondContact CB-SG 3.26Å; C155-C169 WeakPolarHBondContact SG-CA 3.37Å; C155-C169 WeakPolarHBondContact SG-CB 3.48Å; C155-C169 CovalentContact SG-SG 2.04Å; C155-C169 PolarHBondContact SG-SG 3.24Å
170	Q	88.3	Confident	86.5	Confident	137 Å²	137	72.9 Å²	72.9	64%	0.64	36%	0.363	S	S	*	.			trans	-120.3	151.9	-173.8	59.3	179.2	-22.1	0	0	113.1	N119 S153	N119-Q170 PolarHBondContact ND2-O 3.44Å; S153-Q170 PolarHBondContact OG-O 3.08Å
171	L	89.6	Confident	86.5	Confident	45 Å²	45	74.6 Å²	74.6	24%	0.236	38%	0.378	C	S	.	.			trans	-125.1	128.2	169.3	-63.3	177.5	0	0	0	108.2	F73 I77 I117 N119 V151 F173	F73-L171 HydrophobicContact CE1-CD2 4.38Å; F73-L171 HydrophobicContact CE2-CD2 4.16Å; F73-L171 HydrophobicContact CE2-CG 4.34Å; F73-L171 HydrophobicContact CZ-CD2 3.55Å; F73-L171 HydrophobicContact CZ-CG 3.88Å; I77-L171 HydrophobicContact CD1-CD1 3.99Å; I117-L171 HydrophobicContact CG2-CB 4.14Å; I117-L171 HydrophobicContact CG2-CD2 4.1Å; N119-L171 WeakPolarHBondContact OD1-CA 3.48Å; V151-L171 HydrophobicContact CG1-CD1 4.24Å; V151-L171 HydrophobicContact CG2-CD2 4.03Å; L171-F173 HydrophobicContact CB-CD2 4.41Å; L171-F173 HydrophobicContact CB-CE2 3.62Å; L171-F173 HydrophobicContact CB-CZ 4.23Å; L171-F173 HydrophobicContact CD1-CZ 4.45Å
172	V	90.2	Very high	86.8	Confident	47 Å²	47	71 Å²	71	29%	0.285	37%	0.369	S	S	.	.			trans	-113	121.3	-175.4	-175.4	0	0	0	0	108.8	I117 V118 N119 E174	I117-V172 CarbonylContact C-O 3.47Å; I117-V172 VanDerWaalsContact CA-O 3.27Å; I117-V172 WeakPolarHBondContact CA-O 3.11Å; I117-V172 WeakPolarHBondContact CG2-O 3.46Å; V118-V172 HydrophobicContact CG2-CB 3.83Å; V118-V172 HydrophobicContact CG2-CG1 3.71Å; V118-V172 PolarHBondContact N-O 3.23Å; N119-V172 HydrophobicContact CB-CG2 4.45Å; N119-V172 PolarHBondContact OD1-N 3.41Å; V172-E174 HydrophobicContact CG1-CG 4.19Å
173	F	90.5	Very high	87.2	Confident	28 Å²	28	69 Å²	69	12%	0.123	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.5	-173.5	-66.7	-102.4	0	0	0	110.5	V58 I77 F79 V115 C116 I117 L171 W187	V58-F173 HydrophobicContact CG1-CZ 4.4Å; V58-F173 HydrophobicContact CG2-CE1 3.77Å; V58-F173 HydrophobicContact CG2-CE2 3.74Å; V58-F173 HydrophobicContact CG2-CZ 3.31Å; I77-F173 HydrophobicContact CD1-CZ 4.29Å; F79-F173 AromaticContact CD2-CD1 3.8Å; F79-F173 HydrophobicContact CD2-CD1 3.8Å; F79-F173 AromaticContact CD2-CE1 3.5Å; F79-F173 HydrophobicContact CD2-CE1 3.5Å; F79-F173 VanDerWaalsContact CD2-CE1 3.5Å; F79-F173 AromaticContact CE2-CD1 3.59Å; F79-F173 HydrophobicContact CE2-CD1 3.59Å; F79-F173 AromaticContact CE2-CE1 3.83Å; F79-F173 HydrophobicContact CE2-CE1 3.83Å; F79-F173 HydrophobicContact CG-CE1 4.2Å; F79-F173 HydrophobicContact CZ-CD1 4.32Å; V115-F173 HydrophobicContact CG1-CB 4.31Å; C116-F173 WeakPolarHBondContact O-CA 3.4Å; I117-F173 HydrophobicContact CD1-CD1 4.4Å; I117-F173 HydrophobicContact CD1-CE1 3.57Å; I117-F173 HydrophobicContact CD1-CZ 3.68Å; I117-F173 HydrophobicContact CG1-CD1 3.78Å; I117-F173 HydrophobicContact CG1-CE1 3.46Å; I117-F173 VanDerWaalsContact CG1-CE1 3.46Å; I117-F173 HydrophobicContact CG1-CG 4.49Å; I117-F173 HydrophobicContact CG1-CZ 3.91Å; L171-F173 HydrophobicContact CB-CD2 4.41Å; L171-F173 HydrophobicContact CB-CE2 3.62Å; L171-F173 HydrophobicContact CB-CZ 4.23Å; L171-F173 HydrophobicContact CD1-CZ 4.45Å; F173-W187 HydrophobicContact CD2-CH2 4.1Å; F173-W187 HydrophobicContact CE2-CH2 4.38Å
174	E	90.8	Very high	87.7	Confident	106 Å²	106	70.3 Å²	70.3	50%	0.495	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.5	-176.7	-57.5	-176.8	172	0	0	111.6	V115 C116 V118 V172 Y176	V115-E174 CarbonylContact C-O 3.53Å; V115-E174 VanDerWaalsContact CA-O 3.32Å; V115-E174 WeakPolarHBondContact CA-O 3.48Å; C116-E174 PolarHBondContact N-O 3.42Å; C116-E174 PolarHBondContact O-N 2.87Å; V118-E174 HydrophobicContact CG1-CB 3.85Å; V118-E174 HydrophobicContact CG1-CG 4.17Å; V118-E174 HydrophobicContact CG2-CG 4.14Å; V172-E174 HydrophobicContact CG1-CG 4.19Å; E174-Y176 PolarHBondContact O-N 2.9Å
175	S	90.9	Very high	88.3	Confident	19 Å²	19	70.9 Å²	70.9	13%	0.133	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	102.4	175.4	49.1	0	0	0	0	111.6	S177 Y178	S175-S177 VanDerWaalsContact C-N 3.27Å; S175-S177 PolarHBondContact O-N 2.99Å; S175-Y178 PolarHBondContact O-N 3.38Å; S175-Y178 PolarHBondContact OG-O 2.98Å
176	Y	88.7	Confident	89	Confident	190 Å²	190	72.9 Å²	72.9	75%	0.745	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.6	-172.1	-171.2	-102.8	0	0	0	114.5	N114 E174	N114-Y176 PolarHBondContact O-N 3.08Å; E174-Y176 PolarHBondContact O-N 2.9Å
177	S	88.9	Confident	89.6	Confident	61 Å²	61	75.2 Å²	75.2	43%	0.427	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-5.2	-174.4	-54.8	0	0	0	0	114.7	N114 S175	N114-S177 PolarHBondContact ND2-OG 3.4Å; S175-S177 VanDerWaalsContact C-N 3.27Å; S175-S177 PolarHBondContact O-N 2.99Å
178	Y	91.3	Very high	90	Very high	59 Å²	59	75.9 Å²	75.9	23%	0.231	39%	0.388	C	S	.	.			trans	-141	139.8	-166.9	-59.8	-63.6	0	0	0	111.2	L47 W111 S175 V183	L47-Y178 HydrophobicContact CD1-CD1 4.25Å; L47-Y178 HydrophobicContact CD1-CE1 3.99Å; L47-Y178 HydrophobicContact CD2-CD1 4.11Å; L47-Y178 HydrophobicContact CD2-CE1 3.95Å; L47-Y178 HydrophobicContact CG-CE1 4Å; W111-Y178 HydrophobicContact CZ2-CD2 4.25Å; W111-Y178 AromaticContact CZ2-CE2 3.81Å; W111-Y178 HydrophobicContact CZ2-CE2 3.81Å; W111-Y178 AromaticContact NE1-CE2 3.68Å; W111-Y178 AromaticContact NE1-CZ 3.44Å; W111-Y178 PolarHBondContact NE1-OH 3.24Å; S175-Y178 PolarHBondContact O-N 3.38Å; S175-Y178 PolarHBondContact OG-O 2.98Å; Y178-V183 HydrophobicContact CD1-CG2 4.4Å; Y178-V183 HydrophobicContact CD2-CG2 3.71Å; Y178-V183 HydrophobicContact CG-CB 4.4Å; Y178-V183 HydrophobicContact CG-CG2 3.62Å
179	N	90.3	Very high	90	Very high	99 Å²	99	72 Å²	72	53%	0.529	39%	0.394	S	S	.	.			trans	-80.9	168	172.7	70	14.1	0	0	0	111.2	A181 S182 V183	N179-A181 PolarHBondContact O-N 3.01Å; N179-A181 VanDerWaalsContact O-N 3.08Å; N179-A181 PolarHBondContact OD1-N 2.83Å; N179-S182 PolarHBondContact O-N 2.94Å; N179-S182 PolarHBondContact OD1-N 3.01Å; N179-S182 PolarHBondContact OD1-OG 2.68Å; N179-V183 PolarHBondContact O-N 2.69Å
180	T	88.4	Confident	89.9	Confident	122 Å²	122	75.5 Å²	75.5	75%	0.748	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.5	179.4	49.3	0	0	0	0	114.8	V183	T180-V183 WeakPolarHBondContact CA-O 3.23Å
181	A	88.4	Confident	89.5	Confident	67 Å²	67	71.4 Å²	71.4	55%	0.554	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-24.5	176.8	0	0	0	0	0	113.3	P51 N179	P51-A181 WeakPolarHBondContact CB-O 3.4Å; N179-A181 PolarHBondContact O-N 3.01Å; N179-A181 VanDerWaalsContact O-N 3.08Å; N179-A181 PolarHBondContact OD1-N 2.83Å
182	S	91.5	Very high	89.3	Confident	30 Å²	30	73.2 Å²	73.2	21%	0.21	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-37.6	172.6	-67.7	0	0	0	0	112.8	P51 V52 N179	P51-S182 CarbonylContact C-O 3.6Å; P51-S182 WeakPolarHBondContact CA-O 3.47Å; V52-S182 PolarHBondContact N-O 3.18Å; N179-S182 PolarHBondContact O-N 2.94Å; N179-S182 PolarHBondContact OD1-N 3.01Å; N179-S182 PolarHBondContact OD1-OG 2.68Å
183	V	93	Very high	89	Confident	1 Å²	1	73 Å²	73	1%	0.006	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.9	-179.3	176.4	0	0	0	0	109.2	L47 V52 V54 W111 P113 Y178 N179 T180 V185	L47-V183 HydrophobicContact CD2-CG2 3.96Å; V52-V183 HydrophobicContact CB-CG2 4.39Å; V52-V183 WeakPolarHBondContact O-CA 3.23Å; V54-V183 HydrophobicContact CB-CG1 4.42Å; V54-V183 HydrophobicContact CG2-CG1 3.65Å; W111-V183 HydrophobicContact CH2-CG2 4.11Å; W111-V183 HydrophobicContact CZ2-CG2 3.92Å; P113-V183 HydrophobicContact CB-CG1 4.45Å; Y178-V183 HydrophobicContact CD1-CG2 4.4Å; Y178-V183 HydrophobicContact CD2-CG2 3.71Å; Y178-V183 HydrophobicContact CG-CB 4.4Å; Y178-V183 HydrophobicContact CG-CG2 3.62Å; N179-V183 PolarHBondContact O-N 2.69Å; T180-V183 WeakPolarHBondContact CA-O 3.23Å; V183-V185 HydrophobicContact CG1-CG2 4.23Å
184	S	92.3	Very high	88.6	Confident	41 Å²	41	75.7 Å²	75.7	29%	0.287	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	104.2	176.9	-174.1	0	0	0	0	109.3	V52 V54 N186	V52-S184 PolarHBondContact O-N 2.82Å; V54-S184 PolarHBondContact N-O 2.9Å; S184-N186 PolarHBondContact O-ND2 3.49Å; S184-N186 PolarHBondContact OG-ND2 3.04Å
185	V	92.5	Very high	87.9	Confident	41 Å²	41	73.3 Å²	73.3	25%	0.248	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.6	175.4	-175.7	0	0	0	0	108.8	V54 V56 V115 V183	V54-V185 CarbonylContact O-C 3.56Å; V54-V185 WeakPolarHBondContact O-CA 3.15Å; V56-V185 HydrophobicContact CG1-CG1 3.88Å; V56-V185 HydrophobicContact CG2-CG1 3.82Å; V115-V185 HydrophobicContact CG1-CG1 4.46Å; V115-V185 HydrophobicContact CG2-CG2 3.84Å; V183-V185 HydrophobicContact CG1-CG2 4.23Å
186	N	92.4	Very high	86.6	Confident	83 Å²	83	78.7 Å²	78.7	44%	0.444	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.6	-177.5	-65.3	-84.1	0	0	0	110.5	V54 Q55 V56 S184	V54-N186 PolarHBondContact O-N 3.05Å; Q55-N186 CarbonylContact C-O 3.5Å; Q55-N186 VanDerWaalsContact CA-O 3.25Å; Q55-N186 WeakPolarHBondContact CA-O 3.33Å; V56-N186 WeakPolarHBondContact CG2-O 3.38Å; V56-N186 PolarHBondContact N-O 3.16Å; S184-N186 PolarHBondContact O-ND2 3.49Å; S184-N186 PolarHBondContact OG-ND2 3.04Å
187	W	91.5	Very high	85.3	Confident	133 Å²	133	78.1 Å²	78.1	50%	0.504	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	145.6	176.4	-74.2	111.6	0	0	0	112.7	V56 V58 F173 P191	V56-W187 HydrophobicContact CG2-CD2 4.25Å; V56-W187 HydrophobicContact CG2-CE3 3.9Å; V56-W187 HydrophobicContact CG2-CZ3 4.14Å; V58-W187 HydrophobicContact CG2-CH2 4.13Å; V58-W187 HydrophobicContact CG2-CZ3 4Å; F173-W187 HydrophobicContact CD2-CH2 4.1Å; F173-W187 HydrophobicContact CE2-CH2 4.38Å; W187-P191 HydrophobicContact CB-CB 4.01Å; W187-P191 HydrophobicContact CD2-CB 3.8Å; W187-P191 HydrophobicContact CE3-CB 3.43Å; W187-P191 VanDerWaalsContact CE3-CB 3.43Å; W187-P191 HydrophobicContact CG-CB 4.06Å; W187-P191 HydrophobicContact CZ3-CB 4.17Å
188	M	89.6	Confident	83.9	Confident	51 Å²	51	75.9 Å²	75.9	25%	0.251	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	162.5	164.4	-70	-170.2	79.3	0	0	111.7	Q55 V56 E57 I82 N190 P191	Q55-M188 HydrophobicContact CB-CG 3.79Å; V56-M188 PolarHBondContact O-N 2.84Å; E57-M188 HydrophobicContact CB-CB 4.42Å; E57-M188 HydrophobicContact CB-CG 4.34Å; E57-M188 HydrophobicContact CB-SD 3.8Å; I82-M188 HydrophobicContact CD1-CE 3.86Å; I82-M188 HydrophobicContact CD1-SD 3.78Å; M188-N190 CarbonylContact O-C 3.59Å; M188-N190 PolarHBondContact O-N 3.26Å; M188-P191 WeakPolarHBondContact O-CD 3.45Å
189	A	85.2	Confident	82	Confident	105 Å²	105	77.7 Å²	77.7	87%	0.868	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	-33.2	-179.4	0	0	0	0	0	113.4	P191	A189-P191 WeakPolarHBondContact O-CD 3.39Å
190	N	83.3	Confident	80.5	Confident	121 Å²	121	74.5 Å²	74.5	65%	0.647	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	94	163.9	-64.7	-35.1	0	0	0	107.1	M188	M188-N190 CarbonylContact O-C 3.59Å; M188-N190 PolarHBondContact O-N 3.26Å
191	P	80.4	Confident	78.6	Confident	51 Å²	51	72.8 Å²	72.8	33%	0.331	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-34.1	-169.3	27.5	-34.8	0	0	0	113.7	E57 V58 W187 M188 A189	E57-P191 WeakPolarHBondContact CA-O 3.41Å; V58-P191 PolarHBondContact N-O 3.39Å; W187-P191 HydrophobicContact CB-CB 4.01Å; W187-P191 HydrophobicContact CD2-CB 3.8Å; W187-P191 HydrophobicContact CE3-CB 3.43Å; W187-P191 VanDerWaalsContact CE3-CB 3.43Å; W187-P191 HydrophobicContact CG-CB 4.06Å; W187-P191 HydrophobicContact CZ3-CB 4.17Å; M188-P191 WeakPolarHBondContact O-CD 3.45Å; A189-P191 WeakPolarHBondContact O-CD 3.39Å
192	V	84.4	Confident	76.5	Confident	82 Å²	82	75.4 Å²	75.4	50%	0.497	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.5	-177.7	-177.5	0	0	0	0	108.5	V58 V60 V194	V58-V192 VanDerWaalsContact O-CA 3.29Å; V58-V192 WeakPolarHBondContact O-CA 3.34Å; V60-V192 HydrophobicContact CG2-CG1 4.39Å; V192-V194 HydrophobicContact CG1-CG2 4.39Å
193	T	84.8	Confident	74.5	Confident	44 Å²	44	78.4 Å²	78.4	27%	0.27	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.4	172.7	42.9	0	0	0	0	108.9	E57 V58 T59 V60	E57-T193 WeakPolarHBondContact OE1-CG2 3.32Å; E57-T193 PolarHBondContact OE1-OG1 3.31Å; V58-T193 PolarHBondContact O-N 3.46Å; T59-T193 CarbonylContact C-O 3.59Å; T59-T193 VanDerWaalsContact CA-O 3.27Å; T59-T193 WeakPolarHBondContact CA-O 3.29Å; T59-T193 WeakPolarHBondContact CB-OG1 3.14Å; T59-T193 PolarHBondContact OG1-OG1 3.3Å; V60-T193 PolarHBondContact N-O 3.45Å
194	V	81.2	Confident	72.3	Confident	84 Å²	84	82.7 Å²	82.7	51%	0.509	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.3	-177	-175.3	0	0	0	0	108	V60 V192 I198	V60-V194 HydrophobicContact CB-CG1 4.48Å; V60-V194 HydrophobicContact CB-CG2 4.42Å; V192-V194 HydrophobicContact CG1-CG2 4.39Å; V194-I198 HydrophobicContact CG1-CD1 3.59Å
195	L	77.4	Confident	70.1	Confident	56 Å²	56	84.2 Å²	84.2	29%	0.293	48%	0.481	S	S	.	.			trans	-68.1	143.6	175.4	-94.5	65.8	0	0	0	110.3	T59 V60 Q61 E197	T59-L195 HydrophobicContact CG2-CD1 3.32Å; V60-L195 PolarHBondContact O-N 3.38Å; Q61-L195 HydrophobicContact CB-CD2 4.49Å; Q61-L195 HydrophobicContact CG-CD2 4.23Å; L195-E197 PolarHBondContact O-N 2.9Å
196	P	62.8	Low	67.8	Low	131 Å²	131	87.5 Å²	87.5	85%	0.851	51%	0.506	S	S	*	.	S	Bend	trans	-74.3	-7.4	-172.4	30.1	-36.5	0	0	0	114.6
197	E	60.9	Low	65.4	Low	178 Å²	178	95 Å²	95	83%	0.832	53%	0.528	S	S	*	.			trans	-124	83.4	-178.5	-66.8	-178.4	176	0	0	109.7	L195	L195-E197 PolarHBondContact O-N 2.9Å
198	I	60.4	Low	62.9	Low	15 Å²	15	97 Å²	97	8%	0.077	54%	0.537	C	S	.	.			trans	-114.4	125.2	172.6	-65.5	-175.5	0	0	0	108.1	V60 Q61 V194 L200 L205	V60-I198 HydrophobicContact CG1-CD1 3.87Å; Q61-I198 WeakPolarHBondContact O-CG1 3.45Å; V194-I198 HydrophobicContact CG1-CD1 3.59Å; I198-L200 HydrophobicContact CG2-CD1 4.43Å; I198-L205 HydrophobicContact CB-CD1 3.8Å; I198-L205 HydrophobicContact CD1-CD1 3.99Å; I198-L205 HydrophobicContact CG1-CD1 4.44Å; I198-L205 HydrophobicContact CG2-CD1 3.52Å
199	S	50.5	Low	60.4	Low	96 Å²	96	105.7 Å²	105.7	67%	0.671	57%	0.567	S	S	*	*			trans	-127.4	82.5	-173.2	65.7	0	0	0	0	111.8
200	L	59.8	Low	58	Low	33 Å²	33	106.8 Å²	106.8	17%	0.173	56%	0.563	C	S	.	*			trans	-65.6	145.2	169.3	-78.7	139.8	0	0	0	110.7	V63 I198 F203 L205	V63-L200 HydrophobicContact CB-CD1 4.15Å; V63-L200 HydrophobicContact CB-CD2 3.95Å; V63-L200 HydrophobicContact CB-CG 4.19Å; V63-L200 HydrophobicContact CG1-CD2 3.94Å; V63-L200 WeakPolarHBondContact O-CD2 3.37Å; V63-L200 WeakPolarHBondContact O-CG 3.09Å; I198-L200 HydrophobicContact CG2-CD1 4.43Å; L200-F203 HydrophobicContact CB-CB 3.78Å; L200-F203 WeakPolarHBondContact CB-O 3.44Å; L200-F203 HydrophobicContact CD1-CB 3.83Å; L200-F203 HydrophobicContact CD2-CB 4.27Å; L200-F203 HydrophobicContact CD2-CD2 4.26Å; L200-F203 HydrophobicContact CG-CB 4.16Å; L200-L205 HydrophobicContact CD1-CD1 4.49Å
201	A	48.5	Very low	56.1	Low	85 Å²	85	104.7 Å²	104.7	70%	0.702	56%	0.557	S	S	*	*	S	Bend	trans	-72.2	-31.7	179.8	0	0	0	0	0	113.8
202	D	43.6	Very low	54.3	Low	123 Å²	123	109.5 Å²	109.5	66%	0.658	57%	0.569	S	S	*	*	S	Bend	trans	-125.4	4.9	-173.7	-68.5	-57.6	0	0	0	113.8
203	F	49.4	Very low	52.9	Low	92 Å²	92	110.1 Å²	110.1	40%	0.404	57%	0.567	S	S	.	*			trans	-137.3	159.9	-176	-62.4	-91.9	0	0	0	110.5	L66 L200	L66-F203 HydrophobicContact CB-CD2 4.27Å; L66-F203 HydrophobicContact CB-CE2 3.69Å; L66-F203 HydrophobicContact CB-CZ 4Å; L66-F203 HydrophobicContact CD2-CE1 3.81Å; L66-F203 HydrophobicContact CD2-CE2 4.19Å; L66-F203 HydrophobicContact CD2-CZ 3.64Å; L66-F203 HydrophobicContact CG-CE2 4.44Å; L66-F203 HydrophobicContact CG-CZ 4.24Å; L200-F203 HydrophobicContact CB-CB 3.78Å; L200-F203 WeakPolarHBondContact CB-O 3.44Å; L200-F203 HydrophobicContact CD1-CB 3.83Å; L200-F203 HydrophobicContact CD2-CB 4.27Å; L200-F203 HydrophobicContact CD2-CD2 4.26Å; L200-F203 HydrophobicContact CG-CB 4.16Å
204	D	46.4	Very low	51.4	Low	91 Å²	91	111.7 Å²	111.7	49%	0.487	58%	0.576	S	S	.	*			trans	-126.8	144	-178.7	-167.1	7.6	0	0	0	110
205	L	47.8	Very low	50.5	Low	73 Å²	73	113.1 Å²	113.1	38%	0.382	58%	0.577	S	S	.	*			trans	-112.9	134.8	-177.4	-120.4	161.2	0	0	0	109.6	I198 L200 R207	I198-L205 HydrophobicContact CB-CD1 3.8Å; I198-L205 HydrophobicContact CD1-CD1 3.99Å; I198-L205 HydrophobicContact CG1-CD1 4.44Å; I198-L205 HydrophobicContact CG2-CD1 3.52Å; L200-L205 HydrophobicContact CD1-CD1 4.49Å; L205-R207 PolarHBondContact O-N 3.32Å
206	S	42.9	Very low	50.5	Low	111 Å²	111	112.2 Å²	112.2	78%	0.776	57%	0.573	S	S	*	*	S	Bend	trans	-77.7	71.1	-141.5	49.5	0	0	0	0	116.8
207	R	41.7	Very low	51.5	Low	241 Å²	241	106.2 Å²	106.2	91%	0.909	53%	0.533	S	S	*	.	S	Bend	trans	-160	28.7	153.3	-116.5	165.7	-155.3	-121.8	5.3	120.6	L205	L205-R207 PolarHBondContact O-N 3.32Å
208	Y	39.2	Very low	52.7	Low	174 Å²	174	101 Å²	101	68%	0.682	51%	0.513	S	S	*	.			trans	-139.3	-163.6	152.9	53.1	-97.3	0	0	0	112.3
209	R	38.3	Very low	54	Low	233 Å²	233	102.6 Å²	102.6	88%	0.879	52%	0.524	S	S	*	.			trans	-148	112	-165.8	-177.4	-178.3	-174.9	169	3.4	113.3
210	T	33.9	Very low	55.9	Low	128 Å²	128	98 Å²	98	79%	0.785	49%	0.493	S	S	*	.			trans	-161.7	132.3	139.6	-76.6	0	0	0	0	108.4
211	S	42.8	Very low	57.4	Low	77 Å²	77	99 Å²	99	54%	0.538	49%	0.494	S	S	.	.			trans	-96.8	145.1	-169.5	62.4	0	0	0	0	113.7
212	R	43.5	Very low	59.4	Low	152 Å²	152	99.3 Å²	99.3	57%	0.574	48%	0.483	S	S	*	.			trans	-105.8	-0.5	174.1	-147.8	172.6	177.4	-143.5	-15.4	116.1	T214 E215	R212-T214 PolarHBondContact O-N 3.4Å; R212-T214 VanDerWaalsContact O-N 3.16Å; R212-E215 HydrophobicContact CG-CG 4.48Å; R212-E215 VanDerWaalsContact CG-OE1 3.29Å; R212-E215 WeakPolarHBondContact CG-OE1 3.5Å; R212-E215 IonicContact CZ-OE1 3.56Å; R212-E215 IonicContact CZ-OE2 3.31Å; R212-E215 IonicContact NE-OE1 2.77Å; R212-E215 PolarHBondContact NE-OE1 3.31Å; R212-E215 IonicContact NE-OE2 3.58Å; R212-E215 PolarHBondContact NE-OE2 3.42Å; R212-E215 IonicContact NH2-OE1 2.74Å; R212-E215 PolarHBondContact NH2-OE1 3.08Å; R212-E215 IonicContact NH2-OE2 3.12Å; R212-E215 PolarHBondContact NH2-OE2 2.82Å; R212-E215 PolarHBondContact O-N 3.47Å
213	H	54.6	Low	61.7	Low	96 Å²	96	93.8 Å²	93.8	44%	0.444	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.1	177.2	-51.8	-74	0	0	0	114	P163 E215 L216 Y217	P163-H213 PolarHBondContact O-CE1 3.13Å; P163-H213 PolarHBondContact O-ND1 3.1Å; P163-H213 VanDerWaalsContact O-ND1 3.1Å; H213-E215 VanDerWaalsContact C-N 3.33Å; H213-E215 PolarHBondContact O-N 3.13Å; H213-L216 PolarHBondContact O-N 3.43Å; H213-Y217 WeakPolarHBondContact O-CD2 3.48Å
214	T	54.3	Low	63.8	Low	77 Å²	77	89.4 Å²	89.4	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-34.8	177.9	28.6	0	0	0	0	113.4	R212 L216 Y217 V218	R212-T214 PolarHBondContact O-N 3.4Å; R212-T214 VanDerWaalsContact O-N 3.16Å; T214-L216 PolarHBondContact O-N 3.15Å; T214-Y217 PolarHBondContact O-N 3.44Å; T214-V218 HydrophobicContact CG2-CG2 4.31Å; T214-V218 VanDerWaalsContact O-CB 3.23Å; T214-V218 WeakPolarHBondContact O-CB 3.37Å; T214-V218 WeakPolarHBondContact O-CG2 3.49Å; T214-V218 PolarHBondContact O-N 3.26Å
215	E	62.2	Low	65.9	Low	114 Å²	114	90.6 Å²	90.6	53%	0.533	44%	0.436	S	S	.	.	H	α-helix	trans	-62.3	-28.8	-177.9	-73.1	179	-138.3	0	0	113.1	R212 H213 P219	R212-E215 HydrophobicContact CG-CG 4.48Å; R212-E215 VanDerWaalsContact CG-OE1 3.29Å; R212-E215 WeakPolarHBondContact CG-OE1 3.5Å; R212-E215 IonicContact CZ-OE1 3.56Å; R212-E215 IonicContact CZ-OE2 3.31Å; R212-E215 IonicContact NE-OE1 2.77Å; R212-E215 PolarHBondContact NE-OE1 3.31Å; R212-E215 IonicContact NE-OE2 3.58Å; R212-E215 PolarHBondContact NE-OE2 3.42Å; R212-E215 IonicContact NH2-OE1 2.74Å; R212-E215 PolarHBondContact NH2-OE1 3.08Å; R212-E215 IonicContact NH2-OE2 3.12Å; R212-E215 PolarHBondContact NH2-OE2 2.82Å; R212-E215 PolarHBondContact O-N 3.47Å; H213-E215 VanDerWaalsContact C-N 3.33Å; H213-E215 PolarHBondContact O-N 3.13Å; E215-P219 WeakPolarHBondContact O-CD 3.41Å; E215-P219 WeakPolarHBondContact O-CG 3.2Å
216	L	76.2	Confident	68	Low	37 Å²	37	90.2 Å²	90.2	19%	0.194	43%	0.434	C	S	.	.	H	α-helix	trans	-76.5	-48	178.6	-164.5	72.3	0	0	0	111.9	F162 P163 H213 T214 Q255 I259 I272	F162-L216 HydrophobicContact CE1-CD2 4.46Å; P163-L216 HydrophobicContact CB-CD2 4.22Å; P163-L216 HydrophobicContact CG-CD2 3.73Å; H213-L216 PolarHBondContact O-N 3.43Å; T214-L216 PolarHBondContact O-N 3.15Å; L216-Q255 PolarHBondContact O-NE2 3.25Å; L216-I259 HydrophobicContact CD1-CD1 3.56Å; L216-I259 HydrophobicContact CD1-CG1 3.72Å; L216-I259 HydrophobicContact CG-CD1 4.33Å; L216-I272 HydrophobicContact CD2-CD1 3.61Å; L216-I272 HydrophobicContact CD2-CG1 4.04Å; L216-I272 HydrophobicContact CG-CD1 4.14Å
217	Y	85.1	Confident	70.4	Confident	5 Å²	5	85 Å²	85	2%	0.02	40%	0.397	C	S	.	.	H	α-helix	trans	-85.7	-37	-171.7	-69	-87.9	0	0	0	113.2	P163 H213 T214 T220 Y221 I272 W275 Y410 W411	P163-Y217 VanDerWaalsContact CD-OH 3.3Å; P163-Y217 WeakPolarHBondContact CD-OH 3.29Å; P163-Y217 HydrophobicContact CG-CE2 3.78Å; H213-Y217 WeakPolarHBondContact O-CD2 3.48Å; T214-Y217 PolarHBondContact O-N 3.44Å; Y217-T220 WeakPolarHBondContact O-CB 3.3Å; Y217-T220 PolarHBondContact O-N 2.91Å; Y217-T220 PolarHBondContact O-OG1 3.33Å; Y217-Y221 WeakPolarHBondContact O-CD2 3.5Å; Y217-Y221 PolarHBondContact O-N 2.92Å; Y217-I272 HydrophobicContact CE1-CD1 4.24Å; Y217-W275 AromaticContact CD1-CD1 3.87Å; Y217-W275 AromaticContact CD1-CD2 3.75Å; Y217-W275 HydrophobicContact CD1-CD2 3.75Å; Y217-W275 AromaticContact CD1-CE2 3.55Å; Y217-W275 HydrophobicContact CD1-CE3 4.34Å; Y217-W275 HydrophobicContact CD1-CG 4Å; Y217-W275 HydrophobicContact CD1-CZ2 4.02Å; Y217-W275 AromaticContact CD1-NE1 3.59Å; Y217-W275 HydrophobicContact CE1-CB 4.24Å; Y217-W275 AromaticContact CE1-CD1 3.88Å; Y217-W275 AromaticContact CE1-CD2 3.68Å; Y217-W275 HydrophobicContact CE1-CD2 3.68Å; Y217-W275 AromaticContact CE1-CE2 4Å; Y217-W275 HydrophobicContact CE1-CE3 4.15Å; Y217-W275 AromaticContact CE1-CG 3.67Å; Y217-W275 HydrophobicContact CE1-CG 3.67Å; Y217-Y410 HydrophobicContact CE1-CE1 4.07Å; Y217-Y410 PolarHBondContact OH-OH 3.07Å; Y217-W411 HydrophobicContact CD1-CH2 4Å; Y217-W411 AromaticContact CD1-CZ2 3.91Å; Y217-W411 HydrophobicContact CD1-CZ2 3.91Å; Y217-W411 AromaticContact CD2-CH2 3.88Å; Y217-W411 HydrophobicContact CD2-CH2 3.88Å; Y217-W411 HydrophobicContact CD2-CZ2 4.49Å; Y217-W411 AromaticContact CE1-CH2 3.97Å; Y217-W411 HydrophobicContact CE1-CH2 3.97Å; Y217-W411 HydrophobicContact CE1-CZ2 4.12Å; Y217-W411 AromaticContact CE2-CH2 3.84Å; Y217-W411 HydrophobicContact CE2-CH2 3.84Å; Y217-W411 AromaticContact CG-CH2 3.96Å; Y217-W411 HydrophobicContact CG-CH2 3.96Å; Y217-W411 HydrophobicContact CG-CZ2 4.11Å; Y217-W411 AromaticContact CZ-CH2 3.89Å
218	V	86.5	Confident	72.7	Confident	68 Å²	68	74 Å²	74	41%	0.412	36%	0.356	S	S	.	.	H	α-helix	trans	-53.7	-45.6	-176.5	168.3	0	0	0	0	113.6	T214 T220 Y221 I222	T214-V218 HydrophobicContact CG2-CG2 4.31Å; T214-V218 VanDerWaalsContact O-CB 3.23Å; T214-V218 WeakPolarHBondContact O-CB 3.37Å; T214-V218 WeakPolarHBondContact O-CG2 3.49Å; T214-V218 PolarHBondContact O-N 3.26Å; V218-T220 VanDerWaalsContact C-N 3.3Å; V218-T220 PolarHBondContact O-N 2.86Å; V218-Y221 PolarHBondContact O-N 3.03Å; V218-I222 HydrophobicContact CG1-CD1 3.83Å; V218-I222 WeakPolarHBondContact O-CG1 3.34Å; V218-I222 PolarHBondContact O-N 3.47Å; V218-I222 VanDerWaalsContact O-N 3.11Å
219	P	87.6	Confident	75.1	Confident	49 Å²	49	69.9 Å²	69.9	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-37.8	176.2	-24.3	35	0	0	0	113.1	E215 Y221 I222 S223	E215-P219 WeakPolarHBondContact O-CD 3.41Å; E215-P219 WeakPolarHBondContact O-CG 3.2Å; P219-Y221 PolarHBondContact O-N 3.35Å; P219-I222 WeakPolarHBondContact O-CB 3.32Å; P219-I222 PolarHBondContact O-N 3.07Å; P219-I222 VanDerWaalsContact O-N 3.14Å; P219-S223 PolarHBondContact O-N 3.4Å; P219-S223 PolarHBondContact O-OG 3.19Å
220	T	90	Very high	77.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-37.9	-180	72.4	0	0	0	0	112.3	Y217 V218 L224 L252 Q255 W275 M276	Y217-T220 WeakPolarHBondContact O-CB 3.3Å; Y217-T220 PolarHBondContact O-N 2.91Å; Y217-T220 PolarHBondContact O-OG1 3.33Å; V218-T220 VanDerWaalsContact C-N 3.3Å; V218-T220 PolarHBondContact O-N 2.86Å; T220-L224 WeakPolarHBondContact O-CG 3.33Å; T220-L224 PolarHBondContact O-N 3.38Å; T220-L224 VanDerWaalsContact O-N 3.07Å; T220-L252 HydrophobicContact CG2-CD1 4.27Å; T220-Q255 VanDerWaalsContact CG2-OE1 3.25Å; T220-W275 PolarHBondContact OG1-NE1 3.37Å; T220-M276 HydrophobicContact CG2-CE 4.19Å; T220-M276 HydrophobicContact CG2-SD 3.54Å; T220-M276 VanDerWaalsContact CG2-SD 3.54Å
221	Y	91.1	Very high	80.1	Confident	53 Å²	53	53.2 Å²	53.2	21%	0.208	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-44.3	171.3	-69	-76	0	0	0	111	Y217 V218 P219 S223 L224 F225 W275 F403 N407 W411	Y217-Y221 WeakPolarHBondContact O-CD2 3.5Å; Y217-Y221 PolarHBondContact O-N 2.92Å; V218-Y221 PolarHBondContact O-N 3.03Å; P219-Y221 PolarHBondContact O-N 3.35Å; Y221-S223 PolarHBondContact O-N 3.01Å; Y221-L224 WeakPolarHBondContact O-CB 3.29Å; Y221-L224 PolarHBondContact O-N 3.49Å; Y221-F225 WeakPolarHBondContact O-CD2 3.41Å; Y221-F225 PolarHBondContact O-N 2.87Å; Y221-W275 HydrophobicContact CD1-CZ2 4.4Å; Y221-W275 AromaticContact CE1-CH2 3.65Å; Y221-W275 HydrophobicContact CE1-CH2 3.65Å; Y221-W275 AromaticContact CE1-CZ2 3.92Å; Y221-W275 HydrophobicContact CE1-CZ2 3.92Å; Y221-W275 HydrophobicContact CE2-CH2 4.3Å; Y221-W275 HydrophobicContact CE2-CZ2 4.11Å; Y221-W275 AromaticContact CZ-CH2 3.53Å; Y221-W275 AromaticContact CZ-CZ2 3.76Å; Y221-W275 WeakPolarHBondContact OH-CH2 3.26Å; Y221-F403 AromaticContact CD1-CE1 3.66Å; Y221-F403 HydrophobicContact CD1-CE1 3.66Å; Y221-F403 AromaticContact CD1-CZ 3.82Å; Y221-F403 HydrophobicContact CD1-CZ 3.82Å; Y221-F403 AromaticContact CE1-CE1 3.69Å; Y221-F403 HydrophobicContact CE1-CE1 3.69Å; Y221-F403 AromaticContact CE1-CZ 3.75Å; Y221-F403 HydrophobicContact CE1-CZ 3.75Å; Y221-N407 PolarHBondContact OH-OD1 2.95Å; Y221-W411 PolarHBondContact OH-NE1 3.42Å; Y221-W411 VanDerWaalsContact OH-NE1 3.08Å
222	I	90.8	Very high	82.1	Confident	92 Å²	92	53.5 Å²	53.5	47%	0.472	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-45.6	179	-66.7	166.8	0	0	0	110.6	V218 P219 L224 F225 I226	V218-I222 HydrophobicContact CG1-CD1 3.83Å; V218-I222 WeakPolarHBondContact O-CG1 3.34Å; V218-I222 PolarHBondContact O-N 3.47Å; V218-I222 VanDerWaalsContact O-N 3.11Å; P219-I222 WeakPolarHBondContact O-CB 3.32Å; P219-I222 PolarHBondContact O-N 3.07Å; P219-I222 VanDerWaalsContact O-N 3.14Å; I222-L224 VanDerWaalsContact C-N 3.32Å; I222-L224 PolarHBondContact O-N 3.44Å; I222-F225 PolarHBondContact O-N 3.3Å; I222-I226 HydrophobicContact CG2-CD1 3.69Å; I222-I226 HydrophobicContact CG2-CG1 4.38Å; I222-I226 VanDerWaalsContact O-CG1 3.26Å; I222-I226 WeakPolarHBondContact O-CG1 3.44Å; I222-I226 PolarHBondContact O-N 3.04Å
223	S	91.9	Very high	84.2	Confident	6 Å²	6	48.5 Å²	48.5	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-39.9	174.3	-56	0	0	0	0	112.6	P219 Y221 S227 S248	P219-S223 PolarHBondContact O-N 3.4Å; P219-S223 PolarHBondContact O-OG 3.19Å; Y221-S223 PolarHBondContact O-N 3.01Å; S223-S227 PolarHBondContact O-N 3.39Å; S223-S248 WeakPolarHBondContact O-CB 3.46Å; S223-S248 PolarHBondContact O-OG 3.3Å
224	L	92.8	Very high	85.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-48.2	175.7	-80.5	166.6	0	0	0	112.4	T220 Y221 I222 I226 S227 W228 C279 F282 I283 F403	T220-L224 WeakPolarHBondContact O-CG 3.33Å; T220-L224 PolarHBondContact O-N 3.38Å; T220-L224 VanDerWaalsContact O-N 3.07Å; Y221-L224 WeakPolarHBondContact O-CB 3.29Å; Y221-L224 PolarHBondContact O-N 3.49Å; I222-L224 VanDerWaalsContact C-N 3.32Å; I222-L224 PolarHBondContact O-N 3.44Å; L224-I226 VanDerWaalsContact C-N 3.34Å; L224-I226 PolarHBondContact O-N 3.07Å; L224-S227 VanDerWaalsContact O-CB 3.29Å; L224-S227 WeakPolarHBondContact O-CB 3.17Å; L224-S227 PolarHBondContact O-N 3.38Å; L224-S227 VanDerWaalsContact O-N 3.15Å; L224-W228 HydrophobicContact CD2-CZ2 4.47Å; L224-W228 PolarHBondContact O-N 2.99Å; L224-W228 VanDerWaalsContact O-N 3.1Å; L224-C279 HydrophobicContact CD1-CB 4.13Å; L224-C279 HydrophobicContact CG-CB 4.5Å; L224-F282 HydrophobicContact CD2-CB 3.59Å; L224-I283 HydrophobicContact CD2-CD1 4.42Å; L224-I283 HydrophobicContact CD2-CG1 3.77Å; L224-I283 HydrophobicContact CG-CG1 4.46Å; L224-F403 HydrophobicContact CD1-CD2 4.08Å; L224-F403 HydrophobicContact CD1-CE1 4.03Å; L224-F403 HydrophobicContact CD1-CE2 3.41Å; L224-F403 VanDerWaalsContact CD1-CE2 3.41Å; L224-F403 HydrophobicContact CD1-CZ 3.37Å
225	F	90.9	Very high	86.3	Confident	116 Å²	116	45.2 Å²	45.2	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-62.5	-39.8	178	-72.8	-61.3	0	0	0	112	Y221 I222 S227 W228 I229	Y221-F225 WeakPolarHBondContact O-CD2 3.41Å; Y221-F225 PolarHBondContact O-N 2.87Å; I222-F225 PolarHBondContact O-N 3.3Å; F225-S227 VanDerWaalsContact C-N 3.31Å; F225-S227 PolarHBondContact O-N 2.67Å; F225-W228 AromaticContact CD1-CE3 3.69Å; F225-W228 HydrophobicContact CD1-CE3 3.69Å; F225-W228 AromaticContact CD1-CZ3 3.78Å; F225-W228 HydrophobicContact CD1-CZ3 3.78Å; F225-W228 HydrophobicContact CE1-CE3 4.01Å; F225-W228 AromaticContact CE1-CZ3 3.63Å; F225-W228 HydrophobicContact CE1-CZ3 3.63Å; F225-W228 PolarHBondContact O-N 3.14Å; F225-W228 VanDerWaalsContact O-N 3.13Å; F225-I229 WeakPolarHBondContact O-CG1 3.06Å; F225-I229 PolarHBondContact O-N 3.48Å; F225-I229 VanDerWaalsContact O-N 3.08Å
226	I	91.6	Very high	86.7	Confident	66 Å²	66	46.5 Å²	46.5	34%	0.338	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-38.9	174.4	-67.2	168.2	0	0	0	111.1	I222 L224 W228 I229 L244 S248	I222-I226 HydrophobicContact CG2-CD1 3.69Å; I222-I226 HydrophobicContact CG2-CG1 4.38Å; I222-I226 VanDerWaalsContact O-CG1 3.26Å; I222-I226 WeakPolarHBondContact O-CG1 3.44Å; I222-I226 PolarHBondContact O-N 3.04Å; L224-I226 VanDerWaalsContact C-N 3.34Å; L224-I226 PolarHBondContact O-N 3.07Å; I226-W228 VanDerWaalsContact C-N 3.29Å; I226-W228 PolarHBondContact O-N 2.89Å; I226-I229 PolarHBondContact O-N 3.25Å; I226-L244 HydrophobicContact CG2-CD2 4.01Å; I226-S248 WeakPolarHBondContact CG2-OG 3.42Å
227	S	92.6	Very high	87.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-38.2	173.7	-151.4	0	0	0	0	112.2	S223 L224 F225 A230 S286	S223-S227 PolarHBondContact O-N 3.39Å; L224-S227 VanDerWaalsContact O-CB 3.29Å; L224-S227 WeakPolarHBondContact O-CB 3.17Å; L224-S227 PolarHBondContact O-N 3.38Å; L224-S227 VanDerWaalsContact O-N 3.15Å; F225-S227 VanDerWaalsContact C-N 3.31Å; F225-S227 PolarHBondContact O-N 2.67Å; S227-A230 WeakPolarHBondContact O-CB 3.47Å; S227-A230 PolarHBondContact O-N 3.43Å; S227-S286 PolarHBondContact OG-OG 3.08Å
228	W	91.8	Very high	86.9	Confident	12 Å²	12	48.2 Å²	48.2	5%	0.045	26%	0.255	C	S	.	.	H	α-helix	trans	-78.6	-19.5	179.8	-57.4	-18.3	0	0	0	114.4	L224 F225 I226 A230 F231 F399 P400 F403	L224-W228 HydrophobicContact CD2-CZ2 4.47Å; L224-W228 PolarHBondContact O-N 2.99Å; L224-W228 VanDerWaalsContact O-N 3.1Å; F225-W228 AromaticContact CD1-CE3 3.69Å; F225-W228 HydrophobicContact CD1-CE3 3.69Å; F225-W228 AromaticContact CD1-CZ3 3.78Å; F225-W228 HydrophobicContact CD1-CZ3 3.78Å; F225-W228 HydrophobicContact CE1-CE3 4.01Å; F225-W228 AromaticContact CE1-CZ3 3.63Å; F225-W228 HydrophobicContact CE1-CZ3 3.63Å; F225-W228 PolarHBondContact O-N 3.14Å; F225-W228 VanDerWaalsContact O-N 3.13Å; I226-W228 VanDerWaalsContact C-N 3.29Å; I226-W228 PolarHBondContact O-N 2.89Å; W228-A230 PolarHBondContact O-N 3.06Å; W228-A230 VanDerWaalsContact O-N 3.16Å; W228-F231 HydrophobicContact CB-CD2 3.98Å; W228-F231 HydrophobicContact CB-CE2 4.06Å; W228-F231 AromaticContact CD1-CE2 3.66Å; W228-F231 HydrophobicContact CG-CD2 4.44Å; W228-F231 HydrophobicContact CG-CE2 4.04Å; W228-F231 WeakPolarHBondContact O-CB 3.5Å; W228-F231 WeakPolarHBondContact O-CD2 3.49Å; W228-F231 PolarHBondContact O-N 3.16Å; W228-F399 HydrophobicContact CZ2-CB 4.33Å; W228-F399 AromaticContact NE1-CD1 3.78Å; W228-P400 HydrophobicContact CD2-CG 4.43Å; W228-P400 HydrophobicContact CE3-CB 4.44Å; W228-P400 HydrophobicContact CE3-CG 3.81Å; W228-P400 HydrophobicContact CH2-CB 4.4Å; W228-P400 HydrophobicContact CH2-CG 4.45Å; W228-P400 HydrophobicContact CZ3-CB 3.95Å; W228-P400 HydrophobicContact CZ3-CG 3.83Å; W228-F403 HydrophobicContact CH2-CB 3.76Å; W228-F403 AromaticContact CH2-CD1 3.69Å; W228-F403 HydrophobicContact CH2-CD1 3.69Å; W228-F403 AromaticContact CH2-CG 3.91Å; W228-F403 HydrophobicContact CH2-CG 3.91Å; W228-F403 HydrophobicContact CZ2-CB 3.97Å; W228-F403 HydrophobicContact CZ2-CD1 4.39Å; W228-F403 HydrophobicContact CZ2-CG 4.22Å
229	I	89.8	Confident	86.9	Confident	86 Å²	86	49.6 Å²	49.6	44%	0.441	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-25.5	171.2	-70	171.3	0	0	0	111.2	F225 I226 F231 C232 I233 L244	F225-I229 WeakPolarHBondContact O-CG1 3.06Å; F225-I229 PolarHBondContact O-N 3.48Å; F225-I229 VanDerWaalsContact O-N 3.08Å; I226-I229 PolarHBondContact O-N 3.25Å; I229-F231 PolarHBondContact O-N 3.08Å; I229-C232 WeakPolarHBondContact O-CB 3.42Å; I229-C232 PolarHBondContact O-N 2.98Å; I229-I233 HydrophobicContact CG2-CD1 4.3Å; I229-I233 PolarHBondContact O-N 3.09Å; I229-L244 HydrophobicContact CG2-CD1 4.27Å
230	A	87.8	Confident	86.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-31.5	174.2	0	0	0	0	0	113.5	S227 W228 C232 R241 L290	S227-A230 WeakPolarHBondContact O-CB 3.47Å; S227-A230 PolarHBondContact O-N 3.43Å; W228-A230 PolarHBondContact O-N 3.06Å; W228-A230 VanDerWaalsContact O-N 3.16Å; A230-C232 VanDerWaalsContact C-N 3.31Å; A230-C232 PolarHBondContact O-N 2.87Å; A230-R241 HydrophobicContact CB-CB 4.2Å; A230-R241 HydrophobicContact CB-CG 4.26Å; A230-R241 WeakPolarHBondContact O-CG 3.3Å; A230-R241 PolarHBondContact O-NE 3.45Å; A230-R241 VanDerWaalsContact O-NE 3.11Å; A230-L290 HydrophobicContact CB-CD1 3.99Å; A230-L290 HydrophobicContact CB-CD2 4.42Å
231	F	88.2	Confident	86.9	Confident	11 Å²	11	49.6 Å²	49.6	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-70.5	-26.6	176	-51.7	-46.7	0	0	0	112.5	W228 I229 E289 F396 F399	W228-F231 HydrophobicContact CB-CD2 3.98Å; W228-F231 HydrophobicContact CB-CE2 4.06Å; W228-F231 AromaticContact CD1-CE2 3.66Å; W228-F231 HydrophobicContact CG-CD2 4.44Å; W228-F231 HydrophobicContact CG-CE2 4.04Å; W228-F231 WeakPolarHBondContact O-CB 3.5Å; W228-F231 WeakPolarHBondContact O-CD2 3.49Å; W228-F231 PolarHBondContact O-N 3.16Å; I229-F231 PolarHBondContact O-N 3.08Å; F231-E289 HydrophobicContact CE1-CB 4.47Å; F231-E289 HydrophobicContact CE1-CG 4.2Å; F231-F396 HydrophobicContact CB-CB 4.25Å; F231-F396 HydrophobicContact CB-CD2 4.37Å; F231-F399 HydrophobicContact CE2-CB 4.26Å; F231-F399 HydrophobicContact CE2-CD1 4.47Å; F231-F399 HydrophobicContact CE2-CD2 4.15Å; F231-F399 HydrophobicContact CE2-CG 4.07Å; F231-F399 HydrophobicContact CZ-CD1 4.32Å; F231-F399 AromaticContact CZ-CD2 3.99Å; F231-F399 HydrophobicContact CZ-CD2 3.99Å; F231-F399 HydrophobicContact CZ-CE1 4.33Å; F231-F399 AromaticContact CZ-CE2 3.99Å; F231-F399 HydrophobicContact CZ-CE2 3.99Å; F231-F399 HydrophobicContact CZ-CG 4.15Å; F231-F399 HydrophobicContact CZ-CZ 4.16Å
232	C	85.5	Confident	86.9	Confident	84 Å²	84	51.4 Å²	51.4	57%	0.568	28%	0.281	S	S	*	.	H	α-helix	trans	-81	-21.2	179.9	-60.4	0	0	0	0	113.6	I229 A230 F396	I229-C232 WeakPolarHBondContact O-CB 3.42Å; I229-C232 PolarHBondContact O-N 2.98Å; A230-C232 VanDerWaalsContact C-N 3.31Å; A230-C232 PolarHBondContact O-N 2.87Å; C232-F396 WeakPolarHBondContact SG-CE2 3.32Å
233	I	86.1	Confident	86.9	Confident	47 Å²	47	50.8 Å²	50.8	24%	0.241	28%	0.281	C	S	.	.	S	Bend	trans	-78.9	141.7	-179.3	-69.6	169.7	0	0	0	109.4	I229 T235 A237 R241 L244	I229-I233 HydrophobicContact CG2-CD1 4.3Å; I229-I233 PolarHBondContact O-N 3.09Å; I233-T235 PolarHBondContact O-N 2.88Å; I233-A237 HydrophobicContact CG2-CB 3.79Å; I233-R241 HydrophobicContact CB-CG 4.22Å; I233-R241 HydrophobicContact CG2-CG 4.1Å; I233-R241 VanDerWaalsContact O-CZ 3.3Å; I233-R241 PolarHBondContact O-NE 3.07Å; I233-R241 VanDerWaalsContact O-NE 3.08Å; I233-R241 PolarHBondContact O-NH2 2.94Å; I233-L244 HydrophobicContact CD1-CD1 3.42Å; I233-L244 VanDerWaalsContact CD1-CD1 3.42Å
234	D	79.4	Confident	86.9	Confident	83 Å²	83	52.7 Å²	52.7	44%	0.444	29%	0.291	S	S	.	.			trans	-53.3	130.3	176.7	-173.6	-14.1	0	0	0	112.1	K236 A237	D234-K236 PolarHBondContact O-N 2.93Å; D234-K236 WeakPolarHBondContact OD1-CG 3.26Å; D234-K236 PolarHBondContact OD1-N 2.67Å; D234-K236 IonicContact OD1-NZ 2.65Å; D234-K236 PolarHBondContact OD1-NZ 3.07Å; D234-K236 WeakPolarHBondContact OD2-CD 3.4Å; D234-K236 IonicContact OD2-NZ 3.75Å; D234-K236 PolarHBondContact OD2-NZ 3.4Å; D234-A237 PolarHBondContact O-N 2.89Å
235	T	73.6	Confident	86.8	Confident	20 Å²	20	52.7 Å²	52.7	12%	0.123	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38	-34.3	172.2	54.3	0	0	0	0	114.9	I233 A237 L238 D392	I233-T235 PolarHBondContact O-N 2.88Å; T235-A237 VanDerWaalsContact C-N 3.26Å; T235-A237 PolarHBondContact O-N 3.27Å; T235-L238 WeakPolarHBondContact O-CD2 3.39Å; T235-D392 VanDerWaalsContact CG2-OD2 3.27Å; T235-D392 WeakPolarHBondContact CG2-OD2 3.39Å
236	K	72.6	Confident	86.9	Confident	141 Å²	141	50.5 Å²	50.5	61%	0.613	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.3	179.9	-59.9	173.4	-158.8	73.8	0	113.2	D234 L238	D234-K236 PolarHBondContact O-N 2.93Å; D234-K236 WeakPolarHBondContact OD1-CG 3.26Å; D234-K236 PolarHBondContact OD1-N 2.67Å; D234-K236 IonicContact OD1-NZ 2.65Å; D234-K236 PolarHBondContact OD1-NZ 3.07Å; D234-K236 WeakPolarHBondContact OD2-CD 3.4Å; D234-K236 IonicContact OD2-NZ 3.75Å; D234-K236 PolarHBondContact OD2-NZ 3.4Å; K236-L238 VanDerWaalsContact C-N 3.32Å; K236-L238 PolarHBondContact O-N 3.19Å
237	A	83.9	Confident	87	Confident	38 Å²	38	52 Å²	52	31%	0.314	30%	0.295	S	S	.	.			trans	-92.7	46.4	-174.2	0	0	0	0	0	113.1	I233 D234 T235 P239 A240 R241	I233-A237 HydrophobicContact CG2-CB 3.79Å; D234-A237 PolarHBondContact O-N 2.89Å; T235-A237 VanDerWaalsContact C-N 3.26Å; T235-A237 PolarHBondContact O-N 3.27Å; A237-P239 VanDerWaalsContact C-N 3.31Å; A237-P239 VanDerWaalsContact O-N 3.16Å; A237-A240 HydrophobicContact CB-CB 4.45Å; A237-A240 PolarHBondContact O-N 3.49Å; A237-R241 PolarHBondContact O-N 3.46Å
238	L	80.6	Confident	87.1	Confident	41 Å²	41	52.2 Å²	52.2	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-47	-41.6	-179.9	-62.4	177.8	0	0	0	114.7	T235 K236 A240 R241 I242 A294	T235-L238 WeakPolarHBondContact O-CD2 3.39Å; K236-L238 VanDerWaalsContact C-N 3.32Å; K236-L238 PolarHBondContact O-N 3.19Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-A240 PolarHBondContact O-N 2.91Å; L238-R241 PolarHBondContact O-N 3.29Å; L238-I242 WeakPolarHBondContact O-CD1 3.25Å; L238-I242 VanDerWaalsContact O-CG1 3.29Å; L238-I242 WeakPolarHBondContact O-CG1 3.32Å; L238-I242 PolarHBondContact O-N 3.34Å; L238-I242 VanDerWaalsContact O-N 3.07Å; L238-A294 HydrophobicContact CD1-CB 4.22Å; L238-A294 HydrophobicContact CD2-CB 4.16Å
239	P	86.4	Confident	87.1	Confident	97 Å²	97	53.7 Å²	53.7	63%	0.63	31%	0.306	S	S	*	.	H	α-helix	trans	-61.1	-39.4	178.8	-24.1	35.6	0	0	0	113.5	A237 V243	A237-P239 VanDerWaalsContact C-N 3.31Å; A237-P239 VanDerWaalsContact O-N 3.16Å; P239-V243 WeakPolarHBondContact O-CG2 3.27Å; P239-V243 PolarHBondContact O-N 2.96Å; P239-V243 VanDerWaalsContact O-N 3.14Å
240	A	88.6	Confident	87.3	Confident	47 Å²	47	56.3 Å²	56.3	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-68.5	-43.9	179.7	0	0	0	0	0	111.5	A237 L238 I242 V243 L244	A237-A240 HydrophobicContact CB-CB 4.45Å; A237-A240 PolarHBondContact O-N 3.49Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-A240 PolarHBondContact O-N 2.91Å; A240-I242 PolarHBondContact O-N 3.42Å; A240-V243 PolarHBondContact O-N 2.91Å; A240-L244 WeakPolarHBondContact O-CG 3.47Å; A240-L244 PolarHBondContact O-N 2.95Å; A240-L244 VanDerWaalsContact O-N 3.15Å
241	R	89.8	Confident	87.5	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-57.5	-45.5	175.7	-70.6	175.3	158.6	-139.1	8.2	112	A230 I233 A237 L238 L244 G245 L290 D392	A230-R241 HydrophobicContact CB-CB 4.2Å; A230-R241 HydrophobicContact CB-CG 4.26Å; A230-R241 WeakPolarHBondContact O-CG 3.3Å; A230-R241 PolarHBondContact O-NE 3.45Å; A230-R241 VanDerWaalsContact O-NE 3.11Å; I233-R241 HydrophobicContact CB-CG 4.22Å; I233-R241 HydrophobicContact CG2-CG 4.1Å; I233-R241 VanDerWaalsContact O-CZ 3.3Å; I233-R241 PolarHBondContact O-NE 3.07Å; I233-R241 VanDerWaalsContact O-NE 3.08Å; I233-R241 PolarHBondContact O-NH2 2.94Å; A237-R241 PolarHBondContact O-N 3.46Å; L238-R241 PolarHBondContact O-N 3.29Å; R241-L244 PolarHBondContact O-N 3.23Å; R241-G245 PolarHBondContact O-N 3.07Å; R241-L290 HydrophobicContact CB-CD1 4.25Å; R241-L290 HydrophobicContact CB-CD2 4.01Å; R241-L290 HydrophobicContact CG-CD2 4.32Å; R241-D392 IonicContact CZ-OD1 2.67Å; R241-D392 VanDerWaalsContact CZ-OD1 3.26Å; R241-D392 IonicContact CZ-OD2 3.1Å; R241-D392 IonicContact NH1-OD1 3.48Å; R241-D392 PolarHBondContact NH1-OD1 2.96Å; R241-D392 IonicContact NH1-OD2 2.68Å; R241-D392 PolarHBondContact NH1-OD2 3.23Å; R241-D392 IonicContact NH2-OD1 2.75Å; R241-D392 PolarHBondContact NH2-OD1 3.22Å; R241-D392 IonicContact NH2-OD2 2.69Å; R241-D392 PolarHBondContact NH2-OD2 2.74Å
242	I	90.1	Very high	87.7	Confident	91 Å²	91	58.7 Å²	58.7	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-46.4	179.4	-67.6	164.4	0	0	0	111.2	L238 A240 L244 G245 V246	L238-I242 WeakPolarHBondContact O-CD1 3.25Å; L238-I242 VanDerWaalsContact O-CG1 3.29Å; L238-I242 WeakPolarHBondContact O-CG1 3.32Å; L238-I242 PolarHBondContact O-N 3.34Å; L238-I242 VanDerWaalsContact O-N 3.07Å; A240-I242 PolarHBondContact O-N 3.42Å; I242-L244 VanDerWaalsContact C-N 3.34Å; I242-L244 PolarHBondContact O-N 2.81Å; I242-G245 PolarHBondContact O-N 3.48Å; I242-V246 HydrophobicContact CG2-CG2 4.17Å; I242-V246 WeakPolarHBondContact O-CB 3.33Å; I242-V246 WeakPolarHBondContact O-CG2 3.42Å; I242-V246 PolarHBondContact O-N 3.06Å
243	V	92.1	Very high	88	Confident	78 Å²	78	58.2 Å²	58.2	47%	0.473	33%	0.33	S	S	.	.	H	α-helix	trans	-61.3	-41	-179.5	170.1	0	0	0	0	111.7	P239 A240 N247	P239-V243 WeakPolarHBondContact O-CG2 3.27Å; P239-V243 PolarHBondContact O-N 2.96Å; P239-V243 VanDerWaalsContact O-N 3.14Å; A240-V243 PolarHBondContact O-N 2.91Å; V243-N247 VanDerWaalsContact O-CB 3.23Å; V243-N247 WeakPolarHBondContact O-CB 3.45Å; V243-N247 PolarHBondContact O-N 3.42Å; V243-N247 PolarHBondContact O-OD1 3.15Å
244	L	91.5	Very high	88.2	Confident	47 Å²	47	62.5 Å²	62.5	25%	0.246	35%	0.347	C	S	.	.	H	α-helix	trans	-62.2	-48.4	177.9	-70.2	170.1	0	0	0	112.4	I226 I229 I233 A240 R241 I242 S248	I226-L244 HydrophobicContact CG2-CD2 4.01Å; I229-L244 HydrophobicContact CG2-CD1 4.27Å; I233-L244 HydrophobicContact CD1-CD1 3.42Å; I233-L244 VanDerWaalsContact CD1-CD1 3.42Å; A240-L244 WeakPolarHBondContact O-CG 3.47Å; A240-L244 PolarHBondContact O-N 2.95Å; A240-L244 VanDerWaalsContact O-N 3.15Å; R241-L244 PolarHBondContact O-N 3.23Å; I242-L244 VanDerWaalsContact C-N 3.34Å; I242-L244 PolarHBondContact O-N 2.81Å; L244-S248 WeakPolarHBondContact O-CB 3.44Å; L244-S248 PolarHBondContact O-N 3.36Å; L244-S248 PolarHBondContact O-OG 2.96Å
245	G	90.9	Very high	88.6	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-43.7	179.5	0	0	0	0	0	113	R241 I242 S248 L249	R241-G245 PolarHBondContact O-N 3.07Å; I242-G245 PolarHBondContact O-N 3.48Å; G245-S248 PolarHBondContact O-N 2.69Å; G245-L249 PolarHBondContact O-N 3.46Å
246	V	92.9	Very high	89.3	Confident	70 Å²	70	61.8 Å²	61.8	42%	0.424	34%	0.339	S	S	.	.	H	α-helix	trans	-67.2	-43.3	179.8	173.3	0	0	0	0	111.6	I242 S248 L249 M250 L287	I242-V246 HydrophobicContact CG2-CG2 4.17Å; I242-V246 WeakPolarHBondContact O-CB 3.33Å; I242-V246 WeakPolarHBondContact O-CG2 3.42Å; I242-V246 PolarHBondContact O-N 3.06Å; V246-S248 VanDerWaalsContact C-N 3.32Å; V246-S248 PolarHBondContact O-N 2.75Å; V246-L249 PolarHBondContact O-N 3.4Å; V246-M250 WeakPolarHBondContact O-CB 3.5Å; V246-M250 PolarHBondContact O-N 2.69Å; V246-L287 HydrophobicContact CG2-CD2 4.21Å
247	N	93.2	Very high	90.1	Very high	96 Å²	96	56.1 Å²	56.1	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-37.1	177.1	-70.9	2	0	0	0	111.6	V243 M250 S251	V243-N247 VanDerWaalsContact O-CB 3.23Å; V243-N247 WeakPolarHBondContact O-CB 3.45Å; V243-N247 PolarHBondContact O-N 3.42Å; V243-N247 PolarHBondContact O-OD1 3.15Å; N247-M250 PolarHBondContact O-N 3.42Å; N247-S251 VanDerWaalsContact O-CB 3.25Å; N247-S251 WeakPolarHBondContact O-CB 3.45Å; N247-S251 PolarHBondContact O-N 3.49Å
248	S	93.8	Very high	90.2	Very high	5 Å²	5	57.4 Å²	57.4	4%	0.035	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-43.4	175.4	-58.4	0	0	0	0	111.7	S223 I226 L244 G245 V246 S251 L252	S223-S248 WeakPolarHBondContact O-CB 3.46Å; S223-S248 PolarHBondContact O-OG 3.3Å; I226-S248 WeakPolarHBondContact CG2-OG 3.42Å; L244-S248 WeakPolarHBondContact O-CB 3.44Å; L244-S248 PolarHBondContact O-N 3.36Å; L244-S248 PolarHBondContact O-OG 2.96Å; G245-S248 PolarHBondContact O-N 2.69Å; V246-S248 VanDerWaalsContact C-N 3.32Å; V246-S248 PolarHBondContact O-N 2.75Å; S248-S251 PolarHBondContact O-N 3.01Å; S248-L252 PolarHBondContact O-N 3.43Å; S248-L252 VanDerWaalsContact O-N 3.07Å
249	L	93.4	Very high	90.4	Very high	44 Å²	44	56 Å²	56	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-44.9	175.5	-174.4	61.6	0	0	0	111.9	G245 V246 L252 T253 V280 I283 L287	G245-L249 PolarHBondContact O-N 3.46Å; V246-L249 PolarHBondContact O-N 3.4Å; L249-L252 PolarHBondContact O-N 3.47Å; L249-T253 WeakPolarHBondContact O-CB 3.45Å; L249-T253 PolarHBondContact O-N 3.43Å; L249-T253 PolarHBondContact O-OG1 3.25Å; L249-V280 HydrophobicContact CD1-CG1 4.17Å; L249-I283 HydrophobicContact CB-CG2 3.74Å; L249-I283 HydrophobicContact CD1-CB 4.46Å; L249-I283 HydrophobicContact CD1-CG2 4.1Å; L249-I283 HydrophobicContact CG-CG2 4.46Å; L249-L287 HydrophobicContact CB-CD1 4.49Å; L249-L287 HydrophobicContact CD2-CD1 3.91Å
250	M	93.6	Very high	90.3	Very high	140 Å²	140	55.5 Å²	55.5	69%	0.69	31%	0.307	S	S	*	.	H	α-helix	trans	-63.9	-42.6	178.5	-174.2	178.4	179.5	0	0	111.8	V246 N247 T253 F254	V246-M250 WeakPolarHBondContact O-CB 3.5Å; V246-M250 PolarHBondContact O-N 2.69Å; N247-M250 PolarHBondContact O-N 3.42Å; M250-T253 PolarHBondContact O-N 2.93Å; M250-F254 WeakPolarHBondContact O-CB 3.33Å; M250-F254 PolarHBondContact O-N 2.94Å
251	S	92.4	Very high	90.1	Very high	61 Å²	61	62 Å²	62	43%	0.427	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-49.3	176.4	175.9	0	0	0	0	111.8	N247 S248 T253 F254 Q255	N247-S251 VanDerWaalsContact O-CB 3.25Å; N247-S251 WeakPolarHBondContact O-CB 3.45Å; N247-S251 PolarHBondContact O-N 3.49Å; S248-S251 PolarHBondContact O-N 3.01Å; S251-T253 PolarHBondContact O-N 3.33Å; S251-F254 PolarHBondContact O-N 2.96Å; S251-Q255 PolarHBondContact O-N 3.42Å
252	L	91.8	Very high	89.9	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-70.1	-33.2	-179.4	-166.3	143.6	0	0	0	112.3	T220 S248 L249 Q255 F256 M276 C279 V280 I283	T220-L252 HydrophobicContact CG2-CD1 4.27Å; S248-L252 PolarHBondContact O-N 3.43Å; S248-L252 VanDerWaalsContact O-N 3.07Å; L249-L252 PolarHBondContact O-N 3.47Å; L252-Q255 PolarHBondContact O-N 2.9Å; L252-F256 WeakPolarHBondContact O-CB 3.23Å; L252-F256 PolarHBondContact O-N 2.93Å; L252-M276 HydrophobicContact CD2-CE 3.68Å; L252-M276 HydrophobicContact CD2-SD 4.45Å; L252-M276 HydrophobicContact CG-CE 3.83Å; L252-C279 HydrophobicContact CD1-CB 3.64Å; L252-C279 HydrophobicContact CD2-CB 4.29Å; L252-V280 HydrophobicContact CD2-CG2 3.46Å; L252-V280 VanDerWaalsContact CD2-CG2 3.46Å; L252-I283 HydrophobicContact CB-CD1 4.29Å; L252-I283 HydrophobicContact CD1-CD1 3.98Å
253	T	90.6	Very high	89.6	Confident	75 Å²	75	61.6 Å²	61.6	46%	0.46	33%	0.326	S	S	.	.	H	α-helix	trans	-65.7	-41.2	172.5	-54.9	0	0	0	0	111.8	L249 M250 S251 F256 G257	L249-T253 WeakPolarHBondContact O-CB 3.45Å; L249-T253 PolarHBondContact O-N 3.43Å; L249-T253 PolarHBondContact O-OG1 3.25Å; M250-T253 PolarHBondContact O-N 2.93Å; S251-T253 PolarHBondContact O-N 3.33Å; T253-F256 PolarHBondContact O-N 3.45Å; T253-G257 PolarHBondContact O-N 2.96Å
254	F	90.7	Very high	89.2	Confident	136 Å²	136	58.8 Å²	58.8	60%	0.596	31%	0.309	S	S	*	.	H	α-helix	trans	-64.9	-41.5	174.4	177.8	-103.7	0	0	0	111.8	M250 S251 G257 N258	M250-F254 WeakPolarHBondContact O-CB 3.33Å; M250-F254 PolarHBondContact O-N 2.94Å; S251-F254 PolarHBondContact O-N 2.96Å; F254-G257 PolarHBondContact O-N 2.71Å; F254-N258 WeakPolarHBondContact CE1-ND2 3.19Å; F254-N258 WeakPolarHBondContact CZ-ND2 3.23Å; F254-N258 PolarHBondContact O-N 2.84Å; F254-N258 VanDerWaalsContact O-N 3.11Å; F254-N258 PolarHBondContact O-ND2 3.09Å
255	Q	89.1	Confident	89	Confident	31 Å²	31	62.9 Å²	62.9	15%	0.145	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-47.7	174.6	-167	-173.4	-0.3	0	0	111.3	L216 T220 S251 L252 G257 N258 I259 M276	L216-Q255 PolarHBondContact O-NE2 3.25Å; T220-Q255 VanDerWaalsContact CG2-OE1 3.25Å; S251-Q255 PolarHBondContact O-N 3.42Å; L252-Q255 PolarHBondContact O-N 2.9Å; Q255-G257 VanDerWaalsContact C-N 3.32Å; Q255-G257 PolarHBondContact O-N 3.01Å; Q255-N258 PolarHBondContact O-N 3.14Å; Q255-N258 VanDerWaalsContact O-N 3.1Å; Q255-I259 HydrophobicContact CG-CD1 4.15Å; Q255-I259 WeakPolarHBondContact O-CG1 3.41Å; Q255-I259 PolarHBondContact O-N 3.34Å; Q255-M276 HydrophobicContact CB-CE 4.4Å
256	F	88.2	Confident	88.8	Confident	57 Å²	57	65.2 Å²	65.2	25%	0.25	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-43.5	175.9	-172.6	-131	0	0	0	112.3	L252 T253 N258 I259 I260 M276	L252-F256 WeakPolarHBondContact O-CB 3.23Å; L252-F256 PolarHBondContact O-N 2.93Å; T253-F256 PolarHBondContact O-N 3.45Å; F256-N258 VanDerWaalsContact C-N 3.26Å; F256-N258 PolarHBondContact O-N 3.4Å; F256-I259 PolarHBondContact O-N 3.2Å; F256-I260 HydrophobicContact CD1-CD1 3.82Å; F256-I260 HydrophobicContact CD2-CD1 4.15Å; F256-I260 HydrophobicContact CD2-CG1 4.44Å; F256-I260 HydrophobicContact CE1-CD1 3.57Å; F256-I260 HydrophobicContact CE2-CD1 3.92Å; F256-I260 HydrophobicContact CE2-CG1 4.26Å; F256-I260 HydrophobicContact CG-CD1 4.11Å; F256-I260 HydrophobicContact CZ-CD1 3.64Å; F256-I260 HydrophobicContact CZ-CG1 4.41Å; F256-I260 WeakPolarHBondContact O-CG1 3.32Å; F256-I260 PolarHBondContact O-N 3.3Å; F256-M276 HydrophobicContact CB-CE 3.69Å; F256-M276 HydrophobicContact CD2-CB 3.76Å; F256-M276 HydrophobicContact CD2-CE 4.33Å; F256-M276 HydrophobicContact CD2-CG 3.87Å; F256-M276 HydrophobicContact CE2-CB 3.99Å; F256-M276 HydrophobicContact CE2-CG 4.37Å; F256-M276 HydrophobicContact CG-CB 4.45Å; F256-M276 HydrophobicContact CG-CE 4.41Å
257	G	87.9	Confident	88.6	Confident	23 Å²	23	68.1 Å²	68.1	24%	0.237	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-27.4	176.4	0	0	0	0	0	114.4	T253 F254 Q255 R261	T253-G257 PolarHBondContact O-N 2.96Å; F254-G257 PolarHBondContact O-N 2.71Å; Q255-G257 VanDerWaalsContact C-N 3.32Å; Q255-G257 PolarHBondContact O-N 3.01Å; G257-R261 VanDerWaalsContact O-CD 3.31Å; G257-R261 WeakPolarHBondContact O-CD 3.46Å; G257-R261 VanDerWaalsContact O-CG 3.26Å; G257-R261 WeakPolarHBondContact O-CG 3.48Å
258	N	86.5	Confident	88.5	Confident	64 Å²	64	67.4 Å²	67.4	34%	0.342	37%	0.367	S	S	.	.	H	α-helix	trans	-79.5	-40.3	173.5	-66.5	-22.6	0	0	0	111.7	F254 Q255 F256 I260 R261 S262	F254-N258 WeakPolarHBondContact CE1-ND2 3.19Å; F254-N258 WeakPolarHBondContact CZ-ND2 3.23Å; F254-N258 PolarHBondContact O-N 2.84Å; F254-N258 VanDerWaalsContact O-N 3.11Å; F254-N258 PolarHBondContact O-ND2 3.09Å; Q255-N258 PolarHBondContact O-N 3.14Å; Q255-N258 VanDerWaalsContact O-N 3.1Å; F256-N258 VanDerWaalsContact C-N 3.26Å; F256-N258 PolarHBondContact O-N 3.4Å; N258-I260 VanDerWaalsContact C-N 3.34Å; N258-I260 PolarHBondContact O-N 3.32Å; N258-R261 PolarHBondContact O-N 3.11Å; N258-R261 VanDerWaalsContact O-N 3.09Å; N258-R261 PolarHBondContact OD1-NH1 2.98Å; N258-S262 PolarHBondContact O-N 3.44Å; N258-S262 PolarHBondContact O-OG 3.24Å
259	I	85.1	Confident	88.3	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.062	40%	0.397	C	S	.	.	H	α-helix	trans	-59.8	-44	175.8	-63.9	166.1	0	0	0	111	L216 Q255 F256 R261 S262 L263 I272 M276	L216-I259 HydrophobicContact CD1-CD1 3.56Å; L216-I259 HydrophobicContact CD1-CG1 3.72Å; L216-I259 HydrophobicContact CG-CD1 4.33Å; Q255-I259 HydrophobicContact CG-CD1 4.15Å; Q255-I259 WeakPolarHBondContact O-CG1 3.41Å; Q255-I259 PolarHBondContact O-N 3.34Å; F256-I259 PolarHBondContact O-N 3.2Å; I259-R261 PolarHBondContact O-N 3.41Å; I259-S262 PolarHBondContact O-N 3.31Å; I259-S262 PolarHBondContact O-OG 2.94Å; I259-L263 HydrophobicContact CG2-CD1 3.85Å; I259-L263 WeakPolarHBondContact O-CD1 3.12Å; I259-I272 HydrophobicContact CD1-CG1 4.46Å; I259-I272 HydrophobicContact CG2-CG1 4.29Å; I259-M276 HydrophobicContact CD1-CE 4.3Å
260	I	85	Confident	88.1	Confident	87 Å²	87	71.3 Å²	71.3	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-31.1	176.6	-70.3	166.1	0	0	0	111.9	F256 N258 L263	F256-I260 HydrophobicContact CD1-CD1 3.82Å; F256-I260 HydrophobicContact CD2-CD1 4.15Å; F256-I260 HydrophobicContact CD2-CG1 4.44Å; F256-I260 HydrophobicContact CE1-CD1 3.57Å; F256-I260 HydrophobicContact CE2-CD1 3.92Å; F256-I260 HydrophobicContact CE2-CG1 4.26Å; F256-I260 HydrophobicContact CG-CD1 4.11Å; F256-I260 HydrophobicContact CZ-CD1 3.64Å; F256-I260 HydrophobicContact CZ-CG1 4.41Å; F256-I260 WeakPolarHBondContact O-CG1 3.32Å; F256-I260 PolarHBondContact O-N 3.3Å; N258-I260 VanDerWaalsContact C-N 3.34Å; N258-I260 PolarHBondContact O-N 3.32Å; I260-L263 VanDerWaalsContact O-O 3.06Å
261	R	84.6	Confident	88	Confident	182 Å²	182	64.7 Å²	64.7	69%	0.687	36%	0.358	S	S	*	.	H	α-helix	trans	-77.7	-25	179.7	-73	167.2	179.8	148.7	-2.9	113.8	G257 N258 I259 L263	G257-R261 VanDerWaalsContact O-CD 3.31Å; G257-R261 WeakPolarHBondContact O-CD 3.46Å; G257-R261 VanDerWaalsContact O-CG 3.26Å; G257-R261 WeakPolarHBondContact O-CG 3.48Å; N258-R261 PolarHBondContact O-N 3.11Å; N258-R261 VanDerWaalsContact O-N 3.09Å; N258-R261 PolarHBondContact OD1-NH1 2.98Å; I259-R261 PolarHBondContact O-N 3.41Å; R261-L263 VanDerWaalsContact C-N 3.34Å
262	S	83.8	Confident	87.8	Confident	74 Å²	74	61.9 Å²	61.9	52%	0.517	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.1	176.3	51	0	0	0	0	113.9	N258 I259	N258-S262 PolarHBondContact O-N 3.44Å; N258-S262 PolarHBondContact O-OG 3.24Å; I259-S262 PolarHBondContact O-N 3.31Å; I259-S262 PolarHBondContact O-OG 2.94Å
263	L	84.4	Confident	87.7	Confident	11 Å²	11	63 Å²	63	6%	0.058	34%	0.344	C	S	.	.	S	Bend	trans	-120.8	148.4	-176.5	-73.7	160	0	0	0	110.8	L159 F162 I259 I260 R261	L159-L263 HydrophobicContact CD1-CD2 4.24Å; F162-L263 HydrophobicContact CD1-CD1 3.86Å; F162-L263 HydrophobicContact CD1-CD2 4.3Å; F162-L263 HydrophobicContact CD2-CD2 3.98Å; F162-L263 HydrophobicContact CE1-CD1 3.66Å; F162-L263 HydrophobicContact CE1-CD2 4.21Å; F162-L263 HydrophobicContact CE1-CG 4.41Å; F162-L263 HydrophobicContact CE2-CD2 3.87Å; F162-L263 HydrophobicContact CG-CD2 4.19Å; F162-L263 HydrophobicContact CZ-CD1 4.15Å; F162-L263 HydrophobicContact CZ-CD2 3.98Å; F162-L263 HydrophobicContact CZ-CG 4.42Å; I259-L263 HydrophobicContact CG2-CD1 3.85Å; I259-L263 WeakPolarHBondContact O-CD1 3.12Å; I260-L263 VanDerWaalsContact O-O 3.06Å; R261-L263 VanDerWaalsContact C-N 3.34Å
264	P	84.7	Confident	87.8	Confident	19 Å²	19	63.2 Å²	63.2	12%	0.123	34%	0.342	C	S	.	.			trans	-68.7	152	171.5	31.1	-36.3	0	0	0	110.8	V68 L159 V266	V68-P264 HydrophobicContact CG1-CG 3.91Å; L159-P264 HydrophobicContact CD1-CG 3.73Å; P264-V266 PolarHBondContact O-N 3.04Å
265	P	86.1	Confident	87.9	Confident	134 Å²	134	56.7 Å²	56.7	87%	0.87	31%	0.313	S	S	*	.			trans	-67.2	122.3	170.8	28.5	-33.3	0	0	0	110.2
266	V	87.3	Confident	87.9	Confident	48 Å²	48	55.3 Å²	55.3	29%	0.291	31%	0.307	S	S	.	.			trans	-120.2	151.7	174.7	-66	0	0	0	0	110.1	L159 P264 Y268 K270	L159-V266 HydrophobicContact CD1-CG1 4.2Å; P264-V266 PolarHBondContact O-N 3.04Å; V266-Y268 HydrophobicContact CB-CD1 4.34Å; V266-Y268 HydrophobicContact CB-CD2 4.39Å; V266-Y268 HydrophobicContact CB-CE1 3.99Å; V266-Y268 HydrophobicContact CB-CE2 4Å; V266-Y268 HydrophobicContact CG1-CE1 4.27Å; V266-Y268 HydrophobicContact CG1-CE2 4.4Å; V266-Y268 HydrophobicContact CG2-CD2 4.01Å; V266-Y268 HydrophobicContact CG2-CE2 3.7Å; V266-K270 HydrophobicContact CG2-CD 3.86Å; V266-K270 HydrophobicContact CG2-CG 4.04Å
267	S	88.9	Confident	88.1	Confident	131 Å²	131	56.4 Å²	56.4	92%	0.916	32%	0.321	S	S	*	.	S	Bend	trans	-83.2	-13.1	-176.3	52	0	0	0	0	114.5
268	Y	90.4	Very high	88.4	Confident	82 Å²	82	57 Å²	57	32%	0.322	32%	0.319	S	S	.	.	S	Bend	trans	-100.4	157.5	-179.9	52.2	-104.6	0	0	0	112.3	L159 A160 V266 K270	L159-Y268 HydrophobicContact CB-CE2 4.15Å; L159-Y268 PolarHBondContact N-OH 3.15Å; A160-Y268 HydrophobicContact CB-CD2 4.24Å; A160-Y268 HydrophobicContact CB-CE2 4.22Å; V266-Y268 HydrophobicContact CB-CD1 4.34Å; V266-Y268 HydrophobicContact CB-CD2 4.39Å; V266-Y268 HydrophobicContact CB-CE1 3.99Å; V266-Y268 HydrophobicContact CB-CE2 4Å; V266-Y268 HydrophobicContact CG1-CE1 4.27Å; V266-Y268 HydrophobicContact CG1-CE2 4.4Å; V266-Y268 HydrophobicContact CG2-CD2 4.01Å; V266-Y268 HydrophobicContact CG2-CE2 3.7Å; Y268-K270 HydrophobicContact CD2-CG 4.35Å; Y268-K270 HydrophobicContact CE2-CG 4.21Å
269	V	89.3	Confident	88.8	Confident	110 Å²	110	53.9 Å²	53.9	67%	0.667	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-75.6	129.2	175.6	-177.7	0	0	0	0	109.7	D273	V269-D273 HydrophobicContact CG1-CB 4.16Å
270	K	90.6	Very high	89.1	Confident	21 Å²	21	55.7 Å²	55.7	9%	0.091	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-94.3	155.4	176	-54	177.2	-59.3	-54	0	110.9	L159 A160 V266 Y268 I272 D273 L274	L159-K270 HydrophobicContact CB-CD 4.08Å; L159-K270 HydrophobicContact CB-CG 4.49Å; L159-K270 WeakPolarHBondContact O-CG 3.5Å; A160-K270 CarbonylContact O-C 3.59Å; V266-K270 HydrophobicContact CG2-CD 3.86Å; V266-K270 HydrophobicContact CG2-CG 4.04Å; Y268-K270 HydrophobicContact CD2-CG 4.35Å; Y268-K270 HydrophobicContact CE2-CG 4.21Å; K270-I272 HydrophobicContact CB-CG2 4.07Å; K270-I272 PolarHBondContact O-N 3.1Å; K270-D273 VanDerWaalsContact CB-OD2 3.32Å; K270-D273 WeakPolarHBondContact CB-OD2 3.38Å; K270-D273 WeakPolarHBondContact CE-OD1 3.5Å; K270-D273 PolarHBondContact N-OD2 3.32Å; K270-D273 IonicContact NZ-OD1 2.78Å; K270-D273 PolarHBondContact NZ-OD1 3.48Å; K270-D273 IonicContact NZ-OD2 3.45Å; K270-D273 PolarHBondContact NZ-OD2 3.3Å; K270-D273 WeakPolarHBondContact O-CB 3.25Å; K270-D273 PolarHBondContact O-N 3.11Å; K270-L274 PolarHBondContact O-N 3.06Å
271	A	90.1	Very high	89.6	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-54.3	-35.6	176	0	0	0	0	0	113.7	A160 W275 Y410 Y414	A160-A271 PolarHBondContact O-N 3.05Å; A271-W275 PolarHBondContact O-N 3.39Å; A271-Y410 WeakPolarHBondContact O-CE2 3.35Å; A271-Y410 PolarHBondContact O-OH 3.29Å; A271-Y414 HydrophobicContact CB-CD1 3.92Å; A271-Y414 HydrophobicContact CB-CD2 4.43Å; A271-Y414 HydrophobicContact CB-CE1 3.39Å; A271-Y414 HydrophobicContact CB-CE2 3.97Å; A271-Y414 HydrophobicContact CB-CG 4.42Å; A271-Y414 VanDerWaalsContact CB-CZ 3.41Å
272	I	88.8	Confident	90	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-32.4	173.5	-170.2	57.3	0	0	0	113.4	F162 L216 Y217 I259 K270 W275 M276	F162-I272 HydrophobicContact CD1-CB 4.4Å; F162-I272 HydrophobicContact CD1-CG2 3.86Å; F162-I272 HydrophobicContact CE1-CG2 4.49Å; F162-I272 PolarHBondContact O-N 3.21Å; L216-I272 HydrophobicContact CD2-CD1 3.61Å; L216-I272 HydrophobicContact CD2-CG1 4.04Å; L216-I272 HydrophobicContact CG-CD1 4.14Å; Y217-I272 HydrophobicContact CE1-CD1 4.24Å; I259-I272 HydrophobicContact CD1-CG1 4.46Å; I259-I272 HydrophobicContact CG2-CG1 4.29Å; K270-I272 HydrophobicContact CB-CG2 4.07Å; K270-I272 PolarHBondContact O-N 3.1Å; I272-W275 HydrophobicContact CD1-CB 4.47Å; I272-W275 PolarHBondContact O-N 3.16Å; I272-M276 HydrophobicContact CD1-CG 4.01Å; I272-M276 HydrophobicContact CD1-SD 4.45Å; I272-M276 HydrophobicContact CG1-CG 4.14Å; I272-M276 WeakPolarHBondContact O-CB 3.31Å; I272-M276 VanDerWaalsContact O-CG 3.25Å; I272-M276 WeakPolarHBondContact O-CG 3.07Å; I272-M276 PolarHBondContact O-N 2.84Å
273	D	90.3	Very high	90.5	Very high	25 Å²	25	42.6 Å²	42.6	13%	0.134	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-44.8	178.8	-54.7	-36.7	0	0	0	109.9	V269 K270 W275 M276 C277	V269-D273 HydrophobicContact CG1-CB 4.16Å; K270-D273 VanDerWaalsContact CB-OD2 3.32Å; K270-D273 WeakPolarHBondContact CB-OD2 3.38Å; K270-D273 WeakPolarHBondContact CE-OD1 3.5Å; K270-D273 PolarHBondContact N-OD2 3.32Å; K270-D273 IonicContact NZ-OD1 2.78Å; K270-D273 PolarHBondContact NZ-OD1 3.48Å; K270-D273 IonicContact NZ-OD2 3.45Å; K270-D273 PolarHBondContact NZ-OD2 3.3Å; K270-D273 WeakPolarHBondContact O-CB 3.25Å; K270-D273 PolarHBondContact O-N 3.11Å; D273-W275 VanDerWaalsContact C-N 3.34Å; D273-W275 PolarHBondContact O-N 2.92Å; D273-M276 PolarHBondContact O-N 3.42Å; D273-C277 VanDerWaalsContact O-CB 3.3Å; D273-C277 WeakPolarHBondContact O-CB 3.38Å; D273-C277 PolarHBondContact O-N 2.04Å; D273-C277 PolarHBondContact O-SG 2.97Å; D273-C277 VanDerWaalsContact O-SG 3.35Å
274	L	91.8	Very high	91	Very high	78 Å²	78	47.6 Å²	47.6	41%	0.408	28%	0.281	S	S	.	.	H	α-helix	trans	-58.3	-45.7	175.3	179.3	62.1	0	0	0	111.4	K270 T278	K270-L274 PolarHBondContact O-N 3.06Å; L274-T278 WeakPolarHBondContact O-CB 3.47Å; L274-T278 PolarHBondContact O-N 3.1Å; L274-T278 PolarHBondContact O-OG1 3.36Å; L274-T278 VanDerWaalsContact O-OG1 3.05Å
275	W	92.1	Very high	91.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-54.3	175.2	178.1	-92.2	0	0	0	111.9	Y217 T220 Y221 A271 I272 D273 C277 T278 C279 F403 F406 N407 Y410 W411	Y217-W275 AromaticContact CD1-CD1 3.87Å; Y217-W275 AromaticContact CD1-CD2 3.75Å; Y217-W275 HydrophobicContact CD1-CD2 3.75Å; Y217-W275 AromaticContact CD1-CE2 3.55Å; Y217-W275 HydrophobicContact CD1-CE3 4.34Å; Y217-W275 HydrophobicContact CD1-CG 4Å; Y217-W275 HydrophobicContact CD1-CZ2 4.02Å; Y217-W275 AromaticContact CD1-NE1 3.59Å; Y217-W275 HydrophobicContact CE1-CB 4.24Å; Y217-W275 AromaticContact CE1-CD1 3.88Å; Y217-W275 AromaticContact CE1-CD2 3.68Å; Y217-W275 HydrophobicContact CE1-CD2 3.68Å; Y217-W275 AromaticContact CE1-CE2 4Å; Y217-W275 HydrophobicContact CE1-CE3 4.15Å; Y217-W275 AromaticContact CE1-CG 3.67Å; Y217-W275 HydrophobicContact CE1-CG 3.67Å; T220-W275 PolarHBondContact OG1-NE1 3.37Å; Y221-W275 HydrophobicContact CD1-CZ2 4.4Å; Y221-W275 AromaticContact CE1-CH2 3.65Å; Y221-W275 HydrophobicContact CE1-CH2 3.65Å; Y221-W275 AromaticContact CE1-CZ2 3.92Å; Y221-W275 HydrophobicContact CE1-CZ2 3.92Å; Y221-W275 HydrophobicContact CE2-CH2 4.3Å; Y221-W275 HydrophobicContact CE2-CZ2 4.11Å; Y221-W275 AromaticContact CZ-CH2 3.53Å; Y221-W275 AromaticContact CZ-CZ2 3.76Å; Y221-W275 WeakPolarHBondContact OH-CH2 3.26Å; A271-W275 PolarHBondContact O-N 3.39Å; I272-W275 HydrophobicContact CD1-CB 4.47Å; I272-W275 PolarHBondContact O-N 3.16Å; D273-W275 VanDerWaalsContact C-N 3.34Å; D273-W275 PolarHBondContact O-N 2.92Å; W275-C277 PolarHBondContact O-N 3.35Å; W275-T278 PolarHBondContact O-N 3.23Å; W275-T278 VanDerWaalsContact O-N 3.13Å; W275-C279 VanDerWaalsContact CE2-SG 3.57Å; W275-C279 PolarHBondContact NE1-SG 3.28Å; W275-C279 VanDerWaalsContact NE1-SG 3.38Å; W275-C279 PolarHBondContact O-N 3.44Å; W275-C279 PolarHBondContact O-SG 3.28Å; W275-F403 HydrophobicContact CH2-CE2 4.16Å; W275-F403 AromaticContact CH2-CZ 3.72Å; W275-F403 HydrophobicContact CH2-CZ 3.72Å; W275-F403 HydrophobicContact CZ2-CE2 4.43Å; W275-F403 AromaticContact CZ2-CZ 3.97Å; W275-F403 HydrophobicContact CZ2-CZ 3.97Å; W275-F406 HydrophobicContact CD2-CE1 4.42Å; W275-F406 AromaticContact CE3-CE1 3.57Å; W275-F406 HydrophobicContact CE3-CE1 3.57Å; W275-F406 HydrophobicContact CE3-CZ 4.03Å; W275-F406 HydrophobicContact CH2-CE1 4.47Å; W275-F406 HydrophobicContact CZ3-CD1 4.31Å; W275-F406 AromaticContact CZ3-CE1 3.61Å; W275-F406 HydrophobicContact CZ3-CE1 3.61Å; W275-F406 HydrophobicContact CZ3-CZ 4.44Å; W275-N407 VanDerWaalsContact CH2-OD1 3.32Å; W275-N407 WeakPolarHBondContact CH2-OD1 3.28Å; W275-Y410 HydrophobicContact CB-CE2 3.98Å; W275-Y410 AromaticContact CE3-CD1 3.77Å; W275-Y410 HydrophobicContact CE3-CD1 3.77Å; W275-Y410 HydrophobicContact CE3-CD2 4.17Å; W275-Y410 AromaticContact CE3-CE1 3.73Å; W275-Y410 HydrophobicContact CE3-CE1 3.73Å; W275-Y410 HydrophobicContact CE3-CE2 4.12Å; W275-Y410 HydrophobicContact CE3-CG 4Å; W275-Y410 AromaticContact CE3-CZ 3.92Å; W275-Y410 HydrophobicContact CZ3-CD1 4.01Å; W275-Y410 HydrophobicContact CZ3-CE1 4.31Å; W275-Y410 HydrophobicContact CZ3-CG 4.32Å; W275-W411 HydrophobicContact CZ3-CZ2 4.45Å; W275-W411 AromaticContact CZ3-NE1 3.99Å
276	M	91	Very high	91.7	Very high	2 Å²	2	42 Å²	42	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-40.8	-176.3	-66.2	-62.2	-76.5	0	0	111.8	T220 L252 Q255 F256 I259 I272 D273 T278 C279 V280	T220-M276 HydrophobicContact CG2-CE 4.19Å; T220-M276 HydrophobicContact CG2-SD 3.54Å; T220-M276 VanDerWaalsContact CG2-SD 3.54Å; L252-M276 HydrophobicContact CD2-CE 3.68Å; L252-M276 HydrophobicContact CD2-SD 4.45Å; L252-M276 HydrophobicContact CG-CE 3.83Å; Q255-M276 HydrophobicContact CB-CE 4.4Å; F256-M276 HydrophobicContact CB-CE 3.69Å; F256-M276 HydrophobicContact CD2-CB 3.76Å; F256-M276 HydrophobicContact CD2-CE 4.33Å; F256-M276 HydrophobicContact CD2-CG 3.87Å; F256-M276 HydrophobicContact CE2-CB 3.99Å; F256-M276 HydrophobicContact CE2-CG 4.37Å; F256-M276 HydrophobicContact CG-CB 4.45Å; F256-M276 HydrophobicContact CG-CE 4.41Å; I259-M276 HydrophobicContact CD1-CE 4.3Å; I272-M276 HydrophobicContact CD1-CG 4.01Å; I272-M276 HydrophobicContact CD1-SD 4.45Å; I272-M276 HydrophobicContact CG1-CG 4.14Å; I272-M276 WeakPolarHBondContact O-CB 3.31Å; I272-M276 VanDerWaalsContact O-CG 3.25Å; I272-M276 WeakPolarHBondContact O-CG 3.07Å; I272-M276 PolarHBondContact O-N 2.84Å; D273-M276 PolarHBondContact O-N 3.42Å; M276-T278 VanDerWaalsContact C-N 3.34Å; M276-T278 PolarHBondContact O-N 3.08Å; M276-C279 PolarHBondContact O-N 3.02Å; M276-V280 WeakPolarHBondContact O-CB 3.29Å; M276-V280 WeakPolarHBondContact O-CG2 3.03Å; M276-V280 PolarHBondContact O-N 3.06Å
277	C	92.3	Very high	91.9	Very high	80 Å²	80	41.3 Å²	41.3	54%	0.541	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-40.9	173.1	-75	0	0	0	0	112.3	D273 W275 G281	D273-C277 VanDerWaalsContact O-CB 3.3Å; D273-C277 WeakPolarHBondContact O-CB 3.38Å; D273-C277 PolarHBondContact O-N 2.04Å; D273-C277 PolarHBondContact O-SG 2.97Å; D273-C277 VanDerWaalsContact O-SG 3.35Å; W275-C277 PolarHBondContact O-N 3.35Å; C277-G281 PolarHBondContact O-N 3.44Å
278	T	93.7	Very high	92.1	Very high	34 Å²	34	39.7 Å²	39.7	21%	0.209	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-43	175.3	-63.5	0	0	0	0	111.9	L274 W275 M276 G281 F282 F406	L274-T278 WeakPolarHBondContact O-CB 3.47Å; L274-T278 PolarHBondContact O-N 3.1Å; L274-T278 PolarHBondContact O-OG1 3.36Å; L274-T278 VanDerWaalsContact O-OG1 3.05Å; W275-T278 PolarHBondContact O-N 3.23Å; W275-T278 VanDerWaalsContact O-N 3.13Å; M276-T278 VanDerWaalsContact C-N 3.34Å; M276-T278 PolarHBondContact O-N 3.08Å; T278-G281 PolarHBondContact O-N 3.44Å; T278-F282 HydrophobicContact CG2-CD2 3.76Å; T278-F282 HydrophobicContact CG2-CE2 3.6Å; T278-F282 VanDerWaalsContact O-CD2 3.32Å; T278-F282 WeakPolarHBondContact O-CD2 3.17Å; T278-F282 PolarHBondContact O-N 3.36Å; T278-F406 HydrophobicContact CG2-CD1 3.82Å; T278-F406 HydrophobicContact CG2-CD2 4.02Å; T278-F406 HydrophobicContact CG2-CE1 3.63Å; T278-F406 HydrophobicContact CG2-CE2 3.85Å; T278-F406 HydrophobicContact CG2-CG 4.01Å; T278-F406 HydrophobicContact CG2-CZ 3.65Å
279	C	93.7	Very high	92.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-43.5	175.9	-63.7	0	0	0	0	112.5	L224 L252 W275 M276 G281 F282 I283	L224-C279 HydrophobicContact CD1-CB 4.13Å; L224-C279 HydrophobicContact CG-CB 4.5Å; L252-C279 HydrophobicContact CD1-CB 3.64Å; L252-C279 HydrophobicContact CD2-CB 4.29Å; W275-C279 VanDerWaalsContact CE2-SG 3.57Å; W275-C279 PolarHBondContact NE1-SG 3.28Å; W275-C279 VanDerWaalsContact NE1-SG 3.38Å; W275-C279 PolarHBondContact O-N 3.44Å; W275-C279 PolarHBondContact O-SG 3.28Å; M276-C279 PolarHBondContact O-N 3.02Å; C279-G281 VanDerWaalsContact C-N 3.3Å; C279-G281 PolarHBondContact O-N 3.23Å; C279-F282 PolarHBondContact O-N 3.09Å; C279-I283 WeakPolarHBondContact O-CG1 3.48Å; C279-I283 PolarHBondContact O-N 3.04Å
280	V	93.2	Very high	92.1	Very high	49 Å²	49	31.9 Å²	31.9	30%	0.297	18%	0.182	S	C	.	.	H	α-helix	trans	-57.1	-45.3	170.6	169.5	0	0	0	0	110.4	L249 L252 M276 F282 I283 F284	L249-V280 HydrophobicContact CD1-CG1 4.17Å; L252-V280 HydrophobicContact CD2-CG2 3.46Å; L252-V280 VanDerWaalsContact CD2-CG2 3.46Å; M276-V280 WeakPolarHBondContact O-CB 3.29Å; M276-V280 WeakPolarHBondContact O-CG2 3.03Å; M276-V280 PolarHBondContact O-N 3.06Å; V280-F282 PolarHBondContact O-N 2.75Å; V280-I283 PolarHBondContact O-N 3.32Å; V280-F284 VanDerWaalsContact O-CB 3.29Å; V280-F284 WeakPolarHBondContact O-CB 3.38Å; V280-F284 PolarHBondContact O-N 2.89Å
281	G	93.8	Very high	92.1	Very high	34 Å²	34	33.6 Å²	33.6	35%	0.351	20%	0.2	S	C	.	.	H	α-helix	trans	-57.7	-44.7	177.9	0	0	0	0	0	113.4	C277 T278 C279 F284 A285	C277-G281 PolarHBondContact O-N 3.44Å; T278-G281 PolarHBondContact O-N 3.44Å; C279-G281 VanDerWaalsContact C-N 3.3Å; C279-G281 PolarHBondContact O-N 3.23Å; G281-F284 PolarHBondContact O-N 2.77Å; G281-A285 VanDerWaalsContact O-CB 3.27Å; G281-A285 WeakPolarHBondContact O-CB 3.29Å; G281-A285 PolarHBondContact O-N 3.39Å
282	F	94.4	Very high	92	Very high	35 Å²	35	38.7 Å²	38.7	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-40.8	176.8	-83.7	-68.5	0	0	0	113.2	L224 T278 C279 V280 A285 S286 F399 T402 F403	L224-F282 HydrophobicContact CD2-CB 3.59Å; T278-F282 HydrophobicContact CG2-CD2 3.76Å; T278-F282 HydrophobicContact CG2-CE2 3.6Å; T278-F282 VanDerWaalsContact O-CD2 3.32Å; T278-F282 WeakPolarHBondContact O-CD2 3.17Å; T278-F282 PolarHBondContact O-N 3.36Å; C279-F282 PolarHBondContact O-N 3.09Å; V280-F282 PolarHBondContact O-N 2.75Å; F282-A285 PolarHBondContact O-N 3.22Å; F282-S286 PolarHBondContact O-N 2.8Å; F282-F399 HydrophobicContact CD1-CD1 4.03Å; F282-T402 WeakPolarHBondContact CE1-OG1 3.31Å; F282-F403 AromaticContact CD2-CD2 3.84Å; F282-F403 HydrophobicContact CD2-CD2 3.84Å; F282-F403 HydrophobicContact CE1-CB 4.43Å; F282-F403 HydrophobicContact CE2-CB 4.2Å; F282-F403 AromaticContact CE2-CD2 3.8Å; F282-F403 HydrophobicContact CE2-CD2 3.8Å; F282-F403 HydrophobicContact CZ-CB 4.1Å
283	I	94.1	Very high	91.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-43.8	175.4	-64.4	175.1	0	0	0	110.2	L224 L249 L252 C279 V280 A285 S286 L287	L224-I283 HydrophobicContact CD2-CD1 4.42Å; L224-I283 HydrophobicContact CD2-CG1 3.77Å; L224-I283 HydrophobicContact CG-CG1 4.46Å; L249-I283 HydrophobicContact CB-CG2 3.74Å; L249-I283 HydrophobicContact CD1-CB 4.46Å; L249-I283 HydrophobicContact CD1-CG2 4.1Å; L249-I283 HydrophobicContact CG-CG2 4.46Å; L252-I283 HydrophobicContact CB-CD1 4.29Å; L252-I283 HydrophobicContact CD1-CD1 3.98Å; C279-I283 WeakPolarHBondContact O-CG1 3.48Å; C279-I283 PolarHBondContact O-N 3.04Å; V280-I283 PolarHBondContact O-N 3.32Å; I283-A285 PolarHBondContact O-N 3.45Å; I283-S286 PolarHBondContact O-N 3.04Å; I283-S286 PolarHBondContact O-OG 2.91Å; I283-L287 PolarHBondContact O-N 3.02Å
284	F	93.9	Very high	91.5	Very high	115 Å²	115	38.9 Å²	38.9	50%	0.504	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-39.9	176.5	-175.4	-110.1	0	0	0	112.4	V280 G281 S286 L287 L288	V280-F284 VanDerWaalsContact O-CB 3.29Å; V280-F284 WeakPolarHBondContact O-CB 3.38Å; V280-F284 PolarHBondContact O-N 2.89Å; G281-F284 PolarHBondContact O-N 2.77Å; F284-S286 VanDerWaalsContact C-N 3.32Å; F284-S286 PolarHBondContact O-N 3.18Å; F284-L287 WeakPolarHBondContact O-CB 3.49Å; F284-L287 PolarHBondContact O-N 2.98Å; F284-L287 VanDerWaalsContact O-N 3.15Å; F284-L288 HydrophobicContact CD1-CD1 3.99Å; F284-L288 HydrophobicContact CD1-CG 4.32Å; F284-L288 HydrophobicContact CE1-CD1 3.63Å; F284-L288 HydrophobicContact CE1-CD2 4.33Å; F284-L288 HydrophobicContact CE1-CG 3.99Å; F284-L288 HydrophobicContact CZ-CD1 4.25Å; F284-L288 HydrophobicContact CZ-CD2 4.11Å; F284-L288 HydrophobicContact CZ-CG 4.18Å; F284-L288 WeakPolarHBondContact O-CG 3.35Å; F284-L288 PolarHBondContact O-N 2.84Å
285	A	93.6	Very high	91.2	Very high	36 Å²	36	41.3 Å²	41.3	30%	0.298	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-36.9	173.7	0	0	0	0	0	112.3	G281 F282 I283 L288 E289 F399	G281-A285 VanDerWaalsContact O-CB 3.27Å; G281-A285 WeakPolarHBondContact O-CB 3.29Å; G281-A285 PolarHBondContact O-N 3.39Å; F282-A285 PolarHBondContact O-N 3.22Å; I283-A285 PolarHBondContact O-N 3.45Å; A285-L288 PolarHBondContact O-N 2.78Å; A285-E289 WeakPolarHBondContact O-CB 3.34Å; A285-E289 PolarHBondContact O-N 2.95Å; A285-F399 HydrophobicContact CB-CE1 3.79Å; A285-F399 HydrophobicContact CB-CZ 3.99Å
286	S	92	Very high	90.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.4	-34.2	173.3	74.1	0	0	0	0	112.5	S227 F282 I283 F284 E289 L290	S227-S286 PolarHBondContact OG-OG 3.08Å; F282-S286 PolarHBondContact O-N 2.8Å; I283-S286 PolarHBondContact O-N 3.04Å; I283-S286 PolarHBondContact O-OG 2.91Å; F284-S286 VanDerWaalsContact C-N 3.32Å; F284-S286 PolarHBondContact O-N 3.18Å; S286-E289 WeakPolarHBondContact O-CB 3.38Å; S286-E289 PolarHBondContact O-N 3.25Å; S286-L290 VanDerWaalsContact O-CG 3.29Å; S286-L290 WeakPolarHBondContact O-CG 3.27Å; S286-L290 PolarHBondContact O-N 3.2Å
287	L	92.3	Very high	89.9	Confident	33 Å²	33	46.8 Å²	46.8	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-35.4	172.6	-73.1	169.3	0	0	0	112.6	V246 L249 I283 F284 A291	V246-L287 HydrophobicContact CG2-CD2 4.21Å; L249-L287 HydrophobicContact CB-CD1 4.49Å; L249-L287 HydrophobicContact CD2-CD1 3.91Å; I283-L287 PolarHBondContact O-N 3.02Å; F284-L287 WeakPolarHBondContact O-CB 3.49Å; F284-L287 PolarHBondContact O-N 2.98Å; F284-L287 VanDerWaalsContact O-N 3.15Å; L287-A291 VanDerWaalsContact O-CB 3.31Å; L287-A291 WeakPolarHBondContact O-CB 3.49Å; L287-A291 PolarHBondContact O-N 3.46Å
288	L	92.3	Very high	89	Confident	97 Å²	97	49.4 Å²	49.4	51%	0.508	26%	0.261	S	S	.	.	H	α-helix	trans	-67.6	-38.4	172.7	-71.6	178.9	0	0	0	112.4	F284 A285 A291 F292	F284-L288 HydrophobicContact CD1-CD1 3.99Å; F284-L288 HydrophobicContact CD1-CG 4.32Å; F284-L288 HydrophobicContact CE1-CD1 3.63Å; F284-L288 HydrophobicContact CE1-CD2 4.33Å; F284-L288 HydrophobicContact CE1-CG 3.99Å; F284-L288 HydrophobicContact CZ-CD1 4.25Å; F284-L288 HydrophobicContact CZ-CD2 4.11Å; F284-L288 HydrophobicContact CZ-CG 4.18Å; F284-L288 WeakPolarHBondContact O-CG 3.35Å; F284-L288 PolarHBondContact O-N 2.84Å; A285-L288 PolarHBondContact O-N 2.78Å; L288-A291 PolarHBondContact O-N 3.23Å; L288-F292 WeakPolarHBondContact O-CB 3.24Å; L288-F292 PolarHBondContact O-N 3.18Å
289	E	91.6	Very high	88.1	Confident	17 Å²	17	52.5 Å²	52.5	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-51.7	173.9	-166.7	-83.6	-178.3	0	0	110.7	F231 A285 S286 A291 F292 V293 S395	F231-E289 HydrophobicContact CE1-CB 4.47Å; F231-E289 HydrophobicContact CE1-CG 4.2Å; A285-E289 WeakPolarHBondContact O-CB 3.34Å; A285-E289 PolarHBondContact O-N 2.95Å; S286-E289 WeakPolarHBondContact O-CB 3.38Å; S286-E289 PolarHBondContact O-N 3.25Å; E289-A291 VanDerWaalsContact C-N 3.29Å; E289-A291 PolarHBondContact O-N 3.38Å; E289-F292 WeakPolarHBondContact O-CB 3.3Å; E289-F292 PolarHBondContact O-N 3.02Å; E289-V293 WeakPolarHBondContact O-CG2 3.31Å; E289-V293 PolarHBondContact O-N 2.91Å; E289-S395 VanDerWaalsContact CG-OG 3.31Å; E289-S395 WeakPolarHBondContact CG-OG 3.45Å; E289-S395 WeakPolarHBondContact OE1-CB 3.48Å; E289-S395 PolarHBondContact OE1-OG 3.19Å
290	L	89.1	Confident	86.6	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-38.7	176.5	-70.4	174.1	0	0	0	112.1	A230 R241 S286 A294	A230-L290 HydrophobicContact CB-CD1 3.99Å; A230-L290 HydrophobicContact CB-CD2 4.42Å; R241-L290 HydrophobicContact CB-CD1 4.25Å; R241-L290 HydrophobicContact CB-CD2 4.01Å; R241-L290 HydrophobicContact CG-CD2 4.32Å; S286-L290 VanDerWaalsContact O-CG 3.29Å; S286-L290 WeakPolarHBondContact O-CG 3.27Å; S286-L290 PolarHBondContact O-N 3.2Å; L290-A294 VanDerWaalsContact O-CB 3.24Å; L290-A294 WeakPolarHBondContact O-CB 3.49Å; L290-A294 PolarHBondContact O-N 2.97Å
291	A	90	Very high	85.2	Confident	56 Å²	56	56.9 Å²	56.9	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-66.6	-36.9	175.2	0	0	0	0	0	112.4	L287 L288 E289 Y295	L287-A291 VanDerWaalsContact O-CB 3.31Å; L287-A291 WeakPolarHBondContact O-CB 3.49Å; L287-A291 PolarHBondContact O-N 3.46Å; L288-A291 PolarHBondContact O-N 3.23Å; E289-A291 VanDerWaalsContact C-N 3.29Å; E289-A291 PolarHBondContact O-N 3.38Å; A291-Y295 WeakPolarHBondContact O-CB 3.06Å; A291-Y295 PolarHBondContact O-N 2.78Å
292	F	88.6	Confident	84	Confident	108 Å²	108	61.3 Å²	61.3	47%	0.474	31%	0.307	S	S	.	.	H	α-helix	trans	-67.2	-46.8	175.4	176	-99.7	0	0	0	111.8	L288 E289 Y295 Q296 F387	L288-F292 WeakPolarHBondContact O-CB 3.24Å; L288-F292 PolarHBondContact O-N 3.18Å; E289-F292 WeakPolarHBondContact O-CB 3.3Å; E289-F292 PolarHBondContact O-N 3.02Å; F292-Y295 PolarHBondContact O-N 3.33Å; F292-Q296 WeakPolarHBondContact O-CB 3.14Å; F292-Q296 PolarHBondContact O-N 2.79Å; F292-F387 HydrophobicContact CE1-CE1 4.45Å
293	V	85.4	Confident	82.5	Confident	13 Å²	13	66.8 Å²	66.8	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-47.6	175.3	174.8	0	0	0	0	110.6	E289 Y295 Q296 D297 V391	E289-V293 WeakPolarHBondContact O-CG2 3.31Å; E289-V293 PolarHBondContact O-N 2.91Å; V293-Y295 PolarHBondContact O-N 2.8Å; V293-Q296 PolarHBondContact O-N 2.87Å; V293-D297 PolarHBondContact O-N 2.94Å; V293-V391 HydrophobicContact CG2-CB 4.4Å; V293-V391 HydrophobicContact CG2-CG1 4.26Å
294	A	83.6	Confident	80.7	Confident	18 Å²	18	67.8 Å²	67.8	15%	0.149	34%	0.338	C	S	.	.	H	α-helix	trans	-67.6	-34.5	178.8	0	0	0	0	0	113.7	L238 L290 K298	L238-A294 HydrophobicContact CD1-CB 4.22Å; L238-A294 HydrophobicContact CD2-CB 4.16Å; L290-A294 VanDerWaalsContact O-CB 3.24Å; L290-A294 WeakPolarHBondContact O-CB 3.49Å; L290-A294 PolarHBondContact O-N 2.97Å; A294-K298 WeakPolarHBondContact O-CG 3.39Å; A294-K298 PolarHBondContact O-N 2.93Å
295	Y	84.4	Confident	78.8	Confident	129 Å²	129	64.3 Å²	64.3	51%	0.506	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-44.4	172.7	167.1	-97.8	0	0	0	111	A291 F292 V293 K298 K299	A291-Y295 WeakPolarHBondContact O-CB 3.06Å; A291-Y295 PolarHBondContact O-N 2.78Å; F292-Y295 PolarHBondContact O-N 3.33Å; V293-Y295 PolarHBondContact O-N 2.8Å; Y295-K298 PolarHBondContact O-N 2.85Å; Y295-K299 HydrophobicContact CE1-CD 3.71Å; Y295-K299 VanDerWaalsContact O-CB 3.28Å; Y295-K299 WeakPolarHBondContact O-CB 3.09Å; Y295-K299 PolarHBondContact O-N 3.44Å; Y295-K299 PolarHBondContact OH-NZ 2.87Å; Y295-K299 VanDerWaalsContact OH-NZ 3.15Å
296	Q	80.5	Confident	77.1	Confident	46 Å²	46	70.6 Å²	70.6	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-47.8	-179.8	-178.6	65.5	-11.6	0	0	110.7	F292 V293 K298 K299 L300 F387	F292-Q296 WeakPolarHBondContact O-CB 3.14Å; F292-Q296 PolarHBondContact O-N 2.79Å; V293-Q296 PolarHBondContact O-N 2.87Å; Q296-K298 PolarHBondContact O-N 2.69Å; Q296-K299 WeakPolarHBondContact O-CB 3.17Å; Q296-K299 PolarHBondContact O-N 3.22Å; Q296-L300 HydrophobicContact CG-CD1 3.84Å; Q296-L300 WeakPolarHBondContact O-CD1 3.49Å; Q296-L300 WeakPolarHBondContact O-CG 3.41Å; Q296-L300 PolarHBondContact O-N 2.85Å; Q296-L300 VanDerWaalsContact O-N 3.15Å; Q296-F387 HydrophobicContact CG-CD1 4.34Å; Q296-F387 HydrophobicContact CG-CE1 4.34Å
297	D	74.5	Confident	75.4	Confident	70 Å²	70	72.9 Å²	72.9	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-56	-51.1	175.3	-177.9	60.8	0	0	0	112.3	V293 K299 L300 I301	V293-D297 PolarHBondContact O-N 2.94Å; D297-K299 VanDerWaalsContact C-N 3.34Å; D297-K299 PolarHBondContact O-N 2.83Å; D297-L300 WeakPolarHBondContact O-CB 3.25Å; D297-L300 PolarHBondContact O-N 3.45Å; D297-I301 WeakPolarHBondContact O-CG1 3.36Å; D297-I301 PolarHBondContact O-N 3.1Å
298	K	74.8	Confident	73.5	Confident	135 Å²	135	75.8 Å²	75.8	59%	0.587	39%	0.387	S	S	*	.	H	α-helix	trans	-57.5	-42.8	176.8	-76	179.6	176.7	179.2	0	113.1	A294 Y295 Q296 L300 I301 L302	A294-K298 WeakPolarHBondContact O-CG 3.39Å; A294-K298 PolarHBondContact O-N 2.93Å; Y295-K298 PolarHBondContact O-N 2.85Å; Q296-K298 PolarHBondContact O-N 2.69Å; K298-L300 PolarHBondContact O-N 2.84Å; K298-I301 PolarHBondContact O-N 2.95Å; K298-L302 WeakPolarHBondContact O-CG 3.24Å; K298-L302 PolarHBondContact O-N 2.8Å
299	K	73.8	Confident	71.8	Confident	100 Å²	100	74 Å²	74	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-32	177.2	-176.6	178.7	-169	161.3	0	112.1	Y295 Q296 D297 K303	Y295-K299 HydrophobicContact CE1-CD 3.71Å; Y295-K299 VanDerWaalsContact O-CB 3.28Å; Y295-K299 WeakPolarHBondContact O-CB 3.09Å; Y295-K299 PolarHBondContact O-N 3.44Å; Y295-K299 PolarHBondContact OH-NZ 2.87Å; Y295-K299 VanDerWaalsContact OH-NZ 3.15Å; Q296-K299 WeakPolarHBondContact O-CB 3.17Å; Q296-K299 PolarHBondContact O-N 3.22Å; D297-K299 VanDerWaalsContact C-N 3.34Å; D297-K299 PolarHBondContact O-N 2.83Å; K299-K303 WeakPolarHBondContact O-CB 3Å; K299-K303 PolarHBondContact O-N 2.91Å
300	L	62	Low	70.2	Confident	40 Å²	40	76 Å²	76	21%	0.209	41%	0.405	C	S	.	.	H	α-helix	trans	-83.7	-38	-177.8	-63.3	159.7	0	0	0	111.9	Q296 D297 K298 L302 K303 S304 L384	Q296-L300 HydrophobicContact CG-CD1 3.84Å; Q296-L300 WeakPolarHBondContact O-CD1 3.49Å; Q296-L300 WeakPolarHBondContact O-CG 3.41Å; Q296-L300 PolarHBondContact O-N 2.85Å; Q296-L300 VanDerWaalsContact O-N 3.15Å; D297-L300 WeakPolarHBondContact O-CB 3.25Å; D297-L300 PolarHBondContact O-N 3.45Å; K298-L300 PolarHBondContact O-N 2.84Å; L300-L302 VanDerWaalsContact C-N 3.34Å; L300-L302 PolarHBondContact O-N 2.88Å; L300-K303 PolarHBondContact O-N 2.85Å; L300-S304 PolarHBondContact O-N 3.45Å; L300-L384 HydrophobicContact CB-CD1 4.22Å; L300-L384 HydrophobicContact CD1-CB 3.99Å; L300-L384 HydrophobicContact CD1-CD1 3.86Å; L300-L384 HydrophobicContact CD1-CD2 3.66Å; L300-L384 HydrophobicContact CD1-CG 4.01Å; L300-L384 HydrophobicContact CD2-CD1 3.77Å; L300-L384 HydrophobicContact CD2-CD2 4.06Å; L300-L384 HydrophobicContact CG-CD1 4.14Å; L300-L384 HydrophobicContact CG-CD2 4.48Å
301	I	64.5	Low	68.5	Low	101 Å²	101	78.7 Å²	78.7	52%	0.518	42%	0.419	S	S	.	.	H	α-helix	trans	-55.8	-50.1	168.1	-65	168.4	0	0	0	109.9	D297 K298 K303 S304 G305	D297-I301 WeakPolarHBondContact O-CG1 3.36Å; D297-I301 PolarHBondContact O-N 3.1Å; K298-I301 PolarHBondContact O-N 2.95Å; I301-K303 PolarHBondContact O-N 2.91Å; I301-S304 PolarHBondContact O-N 2.8Å; I301-G305 PolarHBondContact O-N 2.93Å
302	L	68.9	Low	66.9	Low	126 Å²	126	79.6 Å²	79.6	66%	0.66	42%	0.421	S	S	*	.	H	α-helix	trans	-61.7	-40.6	177.7	-69.7	169.8	0	0	0	112.8	K298 L300 S304 G305 K306	K298-L302 WeakPolarHBondContact O-CG 3.24Å; K298-L302 PolarHBondContact O-N 2.8Å; L300-L302 VanDerWaalsContact C-N 3.34Å; L300-L302 PolarHBondContact O-N 2.88Å; L302-S304 VanDerWaalsContact C-N 3.33Å; L302-S304 PolarHBondContact O-N 3.36Å; L302-G305 PolarHBondContact O-N 2.87Å; L302-K306 PolarHBondContact O-N 2.84Å
303	K	62.9	Low	65.2	Low	150 Å²	150	78.5 Å²	78.5	65%	0.652	42%	0.424	S	S	*	.	H	α-helix	trans	-68	-31.9	176.4	-167.6	167.5	-175.4	173.5	0	112.2	K299 L300 I301 S307	K299-K303 WeakPolarHBondContact O-CB 3Å; K299-K303 PolarHBondContact O-N 2.91Å; L300-K303 PolarHBondContact O-N 2.85Å; I301-K303 PolarHBondContact O-N 2.91Å; K303-S307 WeakPolarHBondContact O-CB 3.29Å; K303-S307 PolarHBondContact O-N 2.87Å; K303-S307 VanDerWaalsContact O-N 3.14Å
304	S	54.9	Low	63.6	Low	22 Å²	22	83 Å²	83	15%	0.154	45%	0.447	C	S	.	.	H	α-helix	trans	-71.1	-41.8	173.4	-157.2	0	0	0	0	112.1	L300 I301 L302 K306 S307 N308 Y377	L300-S304 PolarHBondContact O-N 3.45Å; I301-S304 PolarHBondContact O-N 2.8Å; L302-S304 VanDerWaalsContact C-N 3.33Å; L302-S304 PolarHBondContact O-N 3.36Å; S304-K306 PolarHBondContact O-N 3.18Å; S304-S307 WeakPolarHBondContact O-CB 3.27Å; S304-S307 PolarHBondContact O-N 2.96Å; S304-S307 VanDerWaalsContact O-N 3.15Å; S304-N308 VanDerWaalsContact O-CG 3.3Å; S304-N308 PolarHBondContact O-N 3.22Å; S304-N308 PolarHBondContact O-OD1 3.38Å; S304-Y377 WeakPolarHBondContact OG-CD2 3.21Å; S304-Y377 WeakPolarHBondContact OG-CE2 3.37Å
305	G	55.6	Low	62	Low	41 Å²	41	84.4 Å²	84.4	42%	0.423	45%	0.453	S	S	.	.	H	α-helix	trans	-56.8	-48.3	175.8	0	0	0	0	0	112.4	I301 L302 S307 N308 A309	I301-G305 PolarHBondContact O-N 2.93Å; L302-G305 PolarHBondContact O-N 2.87Å; G305-S307 PolarHBondContact O-N 2.99Å; G305-N308 PolarHBondContact O-N 2.79Å; G305-A309 PolarHBondContact O-N 3.47Å
306	K	57.4	Low	60.5	Low	169 Å²	169	82.1 Å²	82.1	74%	0.735	46%	0.457	S	S	*	.	H	α-helix	trans	-62.8	-37.8	174.6	-75.1	-169.3	172.7	-172.5	0	113.2	L302 S304 A310	L302-K306 PolarHBondContact O-N 2.84Å; S304-K306 PolarHBondContact O-N 3.18Å; K306-A310 WeakPolarHBondContact O-CB 3.48Å; K306-A310 PolarHBondContact O-N 2.81Å
307	S	55.3	Low	58.6	Low	48 Å²	48	87.7 Å²	87.7	34%	0.336	48%	0.477	S	S	.	.	H	α-helix	trans	-63.1	-43.9	176.5	-162.4	0	0	0	0	111.8	K303 S304 G305 I311	K303-S307 WeakPolarHBondContact O-CB 3.29Å; K303-S307 PolarHBondContact O-N 2.87Å; K303-S307 VanDerWaalsContact O-N 3.14Å; S304-S307 WeakPolarHBondContact O-CB 3.27Å; S304-S307 PolarHBondContact O-N 2.96Å; S304-S307 VanDerWaalsContact O-N 3.15Å; G305-S307 PolarHBondContact O-N 2.99Å; S307-I311 WeakPolarHBondContact O-CB 3.38Å; S307-I311 WeakPolarHBondContact O-CD1 3.44Å; S307-I311 VanDerWaalsContact O-CG1 3.23Å; S307-I311 WeakPolarHBondContact O-CG1 3.47Å; S307-I311 PolarHBondContact O-N 2.87Å; S307-I311 VanDerWaalsContact O-N 3.12Å
308	N	53	Low	57.3	Low	94 Å²	94	90.1 Å²	90.1	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-69.7	-40	-178.7	-65.7	2.4	0	0	0	111.3	S304 G305 S312	S304-N308 VanDerWaalsContact O-CG 3.3Å; S304-N308 PolarHBondContact O-N 3.22Å; S304-N308 PolarHBondContact O-OD1 3.38Å; G305-N308 PolarHBondContact O-N 2.79Å; N308-S312 PolarHBondContact O-N 3.26Å
309	A	57.4	Low	55.8	Low	58 Å²	58	90.6 Å²	90.6	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-50.2	175.2	0	0	0	0	0	112.2	G305 I311 S312 T313	G305-A309 PolarHBondContact O-N 3.47Å; A309-I311 VanDerWaalsContact C-N 3.34Å; A309-I311 PolarHBondContact O-N 3.01Å; A309-S312 WeakPolarHBondContact O-CB 3.39Å; A309-S312 PolarHBondContact O-N 2.84Å; A309-T313 PolarHBondContact O-N 2.9Å; A309-T313 VanDerWaalsContact O-N 3.15Å; A309-T313 PolarHBondContact O-OG1 3.01Å
310	A	56.9	Low	54.2	Low	59 Å²	59	93.7 Å²	93.7	49%	0.488	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-38.2	-179.5	0	0	0	0	0	112.8	K306 T313 L314	K306-A310 WeakPolarHBondContact O-CB 3.48Å; K306-A310 PolarHBondContact O-N 2.81Å; A310-T313 PolarHBondContact O-N 2.95Å; A310-L314 PolarHBondContact O-N 2.87Å; A310-L314 VanDerWaalsContact O-N 3.08Å
311	I	53.6	Low	53	Low	70 Å²	70	100 Å²	100	36%	0.359	53%	0.533	S	S	.	.	H	α-helix	trans	-68.3	-36.4	176.3	-68.9	167.4	0	0	0	111.3	S307 A309 L314 V315	S307-I311 WeakPolarHBondContact O-CB 3.38Å; S307-I311 WeakPolarHBondContact O-CD1 3.44Å; S307-I311 VanDerWaalsContact O-CG1 3.23Å; S307-I311 WeakPolarHBondContact O-CG1 3.47Å; S307-I311 PolarHBondContact O-N 2.87Å; S307-I311 VanDerWaalsContact O-N 3.12Å; A309-I311 VanDerWaalsContact C-N 3.34Å; A309-I311 PolarHBondContact O-N 3.01Å; I311-L314 PolarHBondContact O-N 3.06Å; I311-V315 HydrophobicContact CG2-CG2 4.36Å; I311-V315 WeakPolarHBondContact O-CG2 3.35Å; I311-V315 PolarHBondContact O-N 2.83Å
312	S	56.5	Low	51.7	Low	74 Å²	74	104.2 Å²	104.2	52%	0.517	55%	0.551	S	S	.	*	H	α-helix	trans	-57.7	-50.6	172.8	-173.5	0	0	0	0	111.2	N308 A309 L314 V315 S316	N308-S312 PolarHBondContact O-N 3.26Å; A309-S312 WeakPolarHBondContact O-CB 3.39Å; A309-S312 PolarHBondContact O-N 2.84Å; S312-L314 VanDerWaalsContact C-N 3.31Å; S312-L314 PolarHBondContact O-N 2.91Å; S312-V315 PolarHBondContact O-N 2.87Å; S312-S316 PolarHBondContact O-N 2.8Å; S312-S316 PolarHBondContact O-OG 2.93Å
313	T	53.1	Low	50	Low	86 Å²	86	104.3 Å²	104.3	53%	0.528	56%	0.558	S	S	.	*	H	α-helix	trans	-60.9	-38.6	178.3	-44.6	0	0	0	0	112.7	A309 A310 S316 Y317	A309-T313 PolarHBondContact O-N 2.9Å; A309-T313 VanDerWaalsContact O-N 3.15Å; A309-T313 PolarHBondContact O-OG1 3.01Å; A310-T313 PolarHBondContact O-N 2.95Å; T313-S316 PolarHBondContact O-N 2.88Å; T313-Y317 PolarHBondContact O-N 3.36Å
314	L	51.2	Low	48.2	Very low	106 Å²	106	105.5 Å²	105.5	56%	0.555	56%	0.56	S	S	*	*	H	α-helix	trans	-68.7	-38.8	178.2	-118.2	165	0	0	0	112.9	A310 I311 S312 Y317 L318	A310-L314 PolarHBondContact O-N 2.87Å; A310-L314 VanDerWaalsContact O-N 3.08Å; I311-L314 PolarHBondContact O-N 3.06Å; S312-L314 VanDerWaalsContact C-N 3.31Å; S312-L314 PolarHBondContact O-N 2.91Å; L314-Y317 PolarHBondContact O-N 3.04Å; L314-L318 HydrophobicContact CD2-CD1 4.22Å; L314-L318 HydrophobicContact CD2-CG 4.48Å; L314-L318 WeakPolarHBondContact O-CG 3.05Å; L314-L318 PolarHBondContact O-N 3.4Å
315	V	51.6	Low	47.1	Very low	48 Å²	48	112.1 Å²	112.1	29%	0.291	59%	0.588	S	S	.	*	H	α-helix	trans	-66.8	-40.7	175.2	170.3	0	0	0	0	111	I311 S312 Y317 L318 K319	I311-V315 HydrophobicContact CG2-CG2 4.36Å; I311-V315 WeakPolarHBondContact O-CG2 3.35Å; I311-V315 PolarHBondContact O-N 2.83Å; S312-V315 PolarHBondContact O-N 2.87Å; V315-Y317 VanDerWaalsContact C-N 3.31Å; V315-Y317 PolarHBondContact O-N 3Å; V315-L318 PolarHBondContact O-N 3.19Å; V315-K319 PolarHBondContact O-N 2.83Å
316	S	51.7	Low	45.8	Very low	82 Å²	82	115.3 Å²	115.3	57%	0.573	60%	0.596	S	S	*	*	H	α-helix	trans	-63	-35.4	173.1	-60.7	0	0	0	0	112.9	S312 T313	S312-S316 PolarHBondContact O-N 2.8Å; S312-S316 PolarHBondContact O-OG 2.93Å; T313-S316 PolarHBondContact O-N 2.88Å
317	Y	42	Very low	44.6	Very low	163 Å²	163	112.5 Å²	112.5	64%	0.639	59%	0.593	S	S	*	*	H	α-helix	trans	-69.3	-39.4	175	-113.2	-93.6	0	0	0	112.9	T313 L314 V315 K319 H320	T313-Y317 PolarHBondContact O-N 3.36Å; L314-Y317 PolarHBondContact O-N 3.04Å; V315-Y317 VanDerWaalsContact C-N 3.31Å; V315-Y317 PolarHBondContact O-N 3Å; Y317-K319 VanDerWaalsContact C-N 3.35Å; Y317-H320 WeakPolarHBondContact O-CB 3.43Å; Y317-H320 PolarHBondContact O-N 3.31Å
318	L	47.1	Very low	43.3	Very low	121 Å²	121	115.4 Å²	115.4	63%	0.634	61%	0.613	S	S	*	*	H	α-helix	trans	-71.2	-27.2	-179.7	-74.7	166.1	0	0	0	112.9	L314 V315 H320	L314-L318 HydrophobicContact CD2-CD1 4.22Å; L314-L318 HydrophobicContact CD2-CG 4.48Å; L314-L318 WeakPolarHBondContact O-CG 3.05Å; L314-L318 PolarHBondContact O-N 3.4Å; V315-L318 PolarHBondContact O-N 3.19Å; L318-H320 PolarHBondContact O-N 3.12Å; L318-H320 VanDerWaalsContact O-N 3.07Å
319	K	42.8	Very low	42.1	Very low	144 Å²	144	116.1 Å²	116.1	63%	0.626	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	15.3	168.8	-76.4	-167.8	174.2	-177.3	0	114.3	V315 Y317 E366	V315-K319 PolarHBondContact O-N 2.83Å; Y317-K319 VanDerWaalsContact C-N 3.35Å; K319-E366 VanDerWaalsContact CE-OE1 3.28Å; K319-E366 WeakPolarHBondContact CE-OE1 3.2Å; K319-E366 IonicContact NZ-OE1 2.6Å; K319-E366 PolarHBondContact NZ-OE1 3.44Å; K319-E366 IonicContact NZ-OE2 2.69Å
320	H	39.9	Very low	41.6	Very low	165 Å²	165	118.8 Å²	118.8	76%	0.764	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	8.8	178.7	-133.2	56.7	0	0	0	114.3	Y317 L318	Y317-H320 WeakPolarHBondContact O-CB 3.43Å; Y317-H320 PolarHBondContact O-N 3.31Å; L318-H320 PolarHBondContact O-N 3.12Å; L318-H320 VanDerWaalsContact O-N 3.07Å
321	F	37.8	Very low	41.1	Very low	173 Å²	173	121.5 Å²	121.5	76%	0.759	65%	0.65	S	S	*	*			trans	-123.8	86.8	177.3	-86.1	-85.4	0	0	0	111.3
322	E	35.4	Very low	40.5	Very low	190 Å²	190	123.4 Å²	123.4	89%	0.888	67%	0.667	S	S	*	*			trans	-119.9	118.3	170.9	-171.6	165.6	-141.2	0	0	108.4
323	P	33.1	Very low	39.8	Very low	127 Å²	127	125.3 Å²	125.3	83%	0.825	68%	0.678	S	S	*	*			trans	-83.9	138.6	-173.9	31.9	-33.6	0	0	0	112.9
324	Y	26.8	Very low	39	Very low	175 Å²	175	126 Å²	126	69%	0.686	69%	0.692	S	S	*	*			trans	-105.4	161.3	-176.5	-179.9	-93.7	0	0	0	112.8
325	H	30.2	Very low	38.3	Very low	161 Å²	161	126 Å²	126	75%	0.745	70%	0.698	S	S	*	*			trans	144.2	143.4	154.5	-82.2	-63.7	0	0	0	111.9
326	D	28.4	Very low	37.3	Very low	109 Å²	109	130.8 Å²	130.8	58%	0.583	72%	0.722	S	S	*	*			cis	-161.4	173.1	-19.7	-141	-25.7	0	0	0	114.4
327	V	34	Very low	36.3	Very low	110 Å²	110	133.8 Å²	133.8	67%	0.667	73%	0.731	S	S	*	*			trans	-47.2	152.1	-177	159.2	0	0	0	0	121.4
328	S	27	Very low	35.6	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	73%	0.732	S	S	*	*			trans	-164.2	67.5	138.9	65.3	0	0	0	0	119.4
329	S	28.4	Very low	34.8	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	74%	0.739	S	S	*	*			trans	65.5	-177.1	134.8	78.2	0	0	0	0	122.3
330	P	45.5	Very low	34	Very low	113 Å²	113	137.8 Å²	137.8	73%	0.734	75%	0.749	S	S	*	*				-126.8	-142.2	-111.7	39.9	-15.9	0	0	0	112.9
331	P	46.4	Very low	33.2	Very low	117 Å²	117	134.3 Å²	134.3	76%	0.76	74%	0.743	S	S	*	*			cis	-125.1	-93.6	-12.1	23.3	3.3	0	0	0	122.2
332	P	41	Very low	32.7	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	75%	0.749	S	S	*	*			trans	-132.2	-166.9	-132.1	44.4	-24.1	0	0	0	117.6
333	P	42.9	Very low	32.1	Very low	115 Å²	115	131 Å²	131	75%	0.747	75%	0.745	S	S	*	*				-138.4	159.9	-62.1	41.3	-25	0	0	0	117.2
334	A	35.1	Very low	31.8	Very low	99 Å²	99	135.8 Å²	135.8	82%	0.818	75%	0.747	S	S	*	*			trans	64.7	169.7	153.5	0	0	0	0	0	119
335	P	37.7	Very low	31.6	Very low	107 Å²	107	133.2 Å²	133.2	70%	0.695	75%	0.749	S	S	*	*			cis	-136	179	1.9	45.3	-28.6	0	0	0	117.6
336	L	29.9	Very low	31.2	Very low	149 Å²	149	131.1 Å²	131.1	78%	0.78	75%	0.748	S	S	*	*			trans	58.9	110.9	149.4	-70.3	161.8	0	0	0	123.6
337	D	30.8	Very low	31.1	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	75%	0.754	S	S	*	*				57.7	144.2	123.5	-74.3	-39.7	0	0	0	127.7
338	E	28	Very low	30.6	Very low	140 Å²	140	132.5 Å²	132.5	65%	0.654	77%	0.765	S	S	*	*			trans	60.8	108.8	155.7	-63.4	-136.4	107.7	0	0	124.7
339	K	28.9	Very low	30.5	Very low	178 Å²	178	130.5 Å²	130.5	77%	0.774	76%	0.762	S	S	*	*				37.6	124.7	124.3	-53.6	172.5	-167.4	152.6	0	120
340	K	25.8	Very low	30.4	Very low	193 Å²	193	131.6 Å²	131.6	84%	0.839	76%	0.764	S	S	*	*				153.3	150	92	-155.8	176.4	-176.7	179.8	0	114.3
341	S	24.4	Very low	29.4	Very low	93 Å²	93	134.3 Å²	134.3	65%	0.65	77%	0.772	S	S	*	*			trans	53.5	96.3	153.9	50.1	0	0	0	0	121.9
342	M	26.5	Very low	28.6	Very low	177 Å²	177	139.6 Å²	139.6	87%	0.872	78%	0.777	S	S	*	*				40.1	104.1	109.4	-173.8	175.3	73.9	0	0	119.4
343	S	24.2	Very low	28.1	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	78%	0.778	S	S	*	*				175.1	141.2	108.7	48.4	0	0	0	0	116.6
344	R	25.2	Very low	27.5	Very low	228 Å²	228	145 Å²	145	86%	0.86	79%	0.785	S	S	*	*			trans	40.7	114.2	149.6	-93.5	-178.5	172.2	158.1	-1.7	123.5
345	T	23	Very low	27.4	Very low	121 Å²	121	144.2 Å²	144.2	74%	0.742	77%	0.773	S	S	*	*			trans	59.1	146.1	131.6	49.5	0	0	0	0	120.2
346	T	22.6	Very low	27.3	Very low	116 Å²	116	148.6 Å²	148.6	71%	0.712	78%	0.784	S	S	*	*			cis	-162.5	146.8	37.1	-34.3	0	0	0	0	112.4
347	S	25.6	Very low	27.9	Very low	103 Å²	103	147.5 Å²	147.5	72%	0.72	78%	0.778	S	S	*	*			trans	55.7	147	151.9	60.7	0	0	0	0	120.2
348	T	22.9	Very low	28.4	Very low	145 Å²	145	147.4 Å²	147.4	89%	0.89	78%	0.777	S	S	*	*			cis	-160	157.7	2.4	-8.8	0	0	0	0	108.4
349	G	25.5	Very low	29.2	Very low	68 Å²	68	143.5 Å²	143.5	70%	0.701	78%	0.775	S	S	*	*			trans	145.2	90.6	161	0	0	0	0	0	117.7
350	T	25.4	Very low	30	Very low	131 Å²	131	141 Å²	141	80%	0.804	77%	0.77	S	S	*	*			trans	9.1	119.9	150.8	51.8	0	0	0	0	120.5
351	N	26.4	Very low	31.3	Very low	170 Å²	170	137.3 Å²	137.3	91%	0.909	76%	0.759	S	S	*	*				-155.1	174.4	106.3	-111.1	-27	0	0	0	112.3
352	R	28.8	Very low	32.6	Very low	229 Å²	229	137.3 Å²	137.3	86%	0.864	76%	0.755	S	S	*	*			trans	-136.2	144.7	-152.3	-153.3	-176.7	-172.5	173.3	1.4	113.1
353	S	29.9	Very low	34	Very low	102 Å²	102	135.9 Å²	135.9	71%	0.713	74%	0.744	S	S	*	*			trans	82.1	134.8	157.4	-48.5	0	0	0	0	120.3
354	R	29.9	Very low	35.7	Very low	236 Å²	236	134.7 Å²	134.7	89%	0.891	73%	0.728	S	S	*	*			trans	76.2	134.6	148.2	-149.1	164.7	179.5	158.8	-2.4	115.7
355	S	33	Very low	37.5	Very low	81 Å²	81	128 Å²	128	57%	0.566	71%	0.709	S	S	*	*			cis	-137.6	114.9	18	-153.4	0	0	0	0	113.8
356	E	35.9	Very low	39.4	Very low	199 Å²	199	127.3 Å²	127.3	93%	0.93	70%	0.697	S	S	*	*			trans	-89.7	94.5	157.8	-68.9	163.8	99.3	0	0	107.1
357	L	42.3	Very low	41.5	Very low	126 Å²	126	127.9 Å²	127.9	66%	0.66	69%	0.692	S	S	*	*			trans	-150.3	-13.7	-175.9	-148.4	63.7	0	0	0	118.5
358	D	42.7	Very low	43.6	Very low	143 Å²	143	128.5 Å²	128.5	77%	0.765	68%	0.684	S	S	*	*	S	Bend	trans	-101.4	-11	-178.9	-68.6	-56.2	0	0	0	114.9
359	G	43.6	Very low	45.5	Very low	58 Å²	58	125 Å²	125	60%	0.598	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-13.2	-170.3	0	0	0	0	0	116.7
360	L	45.3	Very low	47.4	Very low	127 Å²	127	123.5 Å²	123.5	67%	0.665	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-52.9	175	-88.6	80.8	0	0	0	110.7	T362 K363 D364	L360-T362 VanDerWaalsContact C-N 3.26Å; L360-T362 PolarHBondContact O-N 2.77Å; L360-T362 VanDerWaalsContact O-N 3.07Å; L360-K363 WeakPolarHBondContact O-CA 3.49Å; L360-K363 WeakPolarHBondContact O-CB 3.32Å; L360-K363 PolarHBondContact O-N 3.4Å; L360-D364 PolarHBondContact O-N 2.78Å
361	D	53.1	Low	49.5	Very low	115 Å²	115	121.2 Å²	121.2	62%	0.615	62%	0.62	S	S	*	*	H	α-helix	trans	-51.9	-40.2	-168	-155.7	59.9	0	0	0	113.4	K363 L365	D361-K363 PolarHBondContact O-N 2.74Å; D361-L365 WeakPolarHBondContact O-CB 3.34Å; D361-L365 PolarHBondContact O-N 3.24Å
362	T	53.3	Low	51.3	Low	92 Å²	92	120.4 Å²	120.4	56%	0.564	61%	0.606	S	S	*	*	H	α-helix	trans	-70.7	-28.3	178	48.6	0	0	0	0	114.6	L360 E366	L360-T362 VanDerWaalsContact C-N 3.26Å; L360-T362 PolarHBondContact O-N 2.77Å; L360-T362 VanDerWaalsContact O-N 3.07Å; T362-E366 PolarHBondContact O-N 2.91Å
363	K	54.5	Low	52.9	Low	148 Å²	148	115.7 Å²	115.7	64%	0.643	59%	0.588	S	S	*	*	H	α-helix	trans	-81.5	-45.3	173.5	-80.5	-179	173.6	176.9	0	111.6	L360 D361 L365 E366 E367	L360-K363 WeakPolarHBondContact O-CA 3.49Å; L360-K363 WeakPolarHBondContact O-CB 3.32Å; L360-K363 PolarHBondContact O-N 3.4Å; D361-K363 PolarHBondContact O-N 2.74Å; K363-L365 PolarHBondContact O-N 2.94Å; K363-E366 PolarHBondContact O-N 2.87Å; K363-E366 VanDerWaalsContact O-N 3.13Å; K363-E367 PolarHBondContact O-N 2.92Å
364	D	60	Low	54.7	Low	90 Å²	90	116.1 Å²	116.1	48%	0.481	58%	0.577	S	S	.	*	H	α-helix	trans	-60.9	-38	178.8	-63.3	-28.3	0	0	0	110	L360 E367 E368	L360-D364 PolarHBondContact O-N 2.78Å; D364-E367 PolarHBondContact O-N 3.49Å; D364-E368 WeakPolarHBondContact O-CB 3.44Å; D364-E368 PolarHBondContact O-N 3.38Å
365	L	63.7	Low	56.5	Low	88 Å²	88	109 Å²	109	46%	0.461	56%	0.556	S	S	.	*	H	α-helix	trans	-68.6	-39.9	172.9	-172.3	68.4	0	0	0	113.5	D361 K363 E367 I369	D361-L365 WeakPolarHBondContact O-CB 3.34Å; D361-L365 PolarHBondContact O-N 3.24Å; K363-L365 PolarHBondContact O-N 2.94Å; L365-E367 VanDerWaalsContact C-N 3.31Å; L365-E367 PolarHBondContact O-N 3.16Å; L365-I369 HydrophobicContact CD1-CD1 4.19Å; L365-I369 HydrophobicContact CD1-CG1 4.5Å; L365-I369 HydrophobicContact CG-CD1 3.94Å; L365-I369 VanDerWaalsContact O-CB 3.29Å; L365-I369 WeakPolarHBondContact O-CB 3.49Å; L365-I369 WeakPolarHBondContact O-CD1 3.37Å; L365-I369 WeakPolarHBondContact O-CG1 3.47Å; L365-I369 PolarHBondContact O-N 3.07Å
366	E	63.8	Low	58	Low	106 Å²	106	107.8 Å²	107.8	50%	0.495	55%	0.551	S	S	.	*	H	α-helix	trans	-64.6	-36.1	173.3	-81	-160.7	146.5	0	0	111.8	K319 T362 K363 A370	K319-E366 VanDerWaalsContact CE-OE1 3.28Å; K319-E366 WeakPolarHBondContact CE-OE1 3.2Å; K319-E366 IonicContact NZ-OE1 2.6Å; K319-E366 PolarHBondContact NZ-OE1 3.44Å; K319-E366 IonicContact NZ-OE2 2.69Å; T362-E366 PolarHBondContact O-N 2.91Å; K363-E366 PolarHBondContact O-N 2.87Å; K363-E366 VanDerWaalsContact O-N 3.13Å; E366-A370 WeakPolarHBondContact O-CB 3.27Å; E366-A370 PolarHBondContact O-N 2.84Å
367	E	65.8	Low	59.2	Low	128 Å²	128	103.5 Å²	103.5	60%	0.598	53%	0.527	S	S	*	.	H	α-helix	trans	-74.6	-40.9	177.4	-173.4	145.4	-139.4	0	0	112.6	K363 D364 L365 A370 E371	K363-E367 PolarHBondContact O-N 2.92Å; D364-E367 PolarHBondContact O-N 3.49Å; L365-E367 VanDerWaalsContact C-N 3.31Å; L365-E367 PolarHBondContact O-N 3.16Å; E367-A370 CarbonylContact O-C 3.59Å; E367-A370 WeakPolarHBondContact O-CB 3.33Å; E367-A370 PolarHBondContact O-N 2.85Å; E367-A370 VanDerWaalsContact O-N 3.14Å; E367-E371 PolarHBondContact O-N 2.92Å
368	E	68.8	Low	60.2	Low	117 Å²	117	99.1 Å²	99.1	55%	0.547	51%	0.509	S	S	.	.	H	α-helix	trans	-63.2	-43.1	173.2	-170.8	-177.5	-155.2	0	0	111.3	D364 A370 E371 Y372	D364-E368 WeakPolarHBondContact O-CB 3.44Å; D364-E368 PolarHBondContact O-N 3.38Å; E368-A370 VanDerWaalsContact C-N 3.26Å; E368-A370 PolarHBondContact O-N 3.37Å; E368-E371 PolarHBondContact O-N 2.85Å; E368-Y372 PolarHBondContact O-N 2.82Å
369	I	64.3	Low	61.4	Low	70 Å²	70	99.8 Å²	99.8	36%	0.359	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-34.6	174.2	-70.6	169.8	0	0	0	110.8	L365 R373	L365-I369 HydrophobicContact CD1-CD1 4.19Å; L365-I369 HydrophobicContact CD1-CG1 4.5Å; L365-I369 HydrophobicContact CG-CD1 3.94Å; L365-I369 VanDerWaalsContact O-CB 3.29Å; L365-I369 WeakPolarHBondContact O-CB 3.49Å; L365-I369 WeakPolarHBondContact O-CD1 3.37Å; L365-I369 WeakPolarHBondContact O-CG1 3.47Å; L365-I369 PolarHBondContact O-N 3.07Å; I369-R373 WeakPolarHBondContact O-CB 3.44Å; I369-R373 WeakPolarHBondContact O-CD 3.49Å; I369-R373 WeakPolarHBondContact O-CG 3.37Å; I369-R373 PolarHBondContact O-N 2.91Å
370	A	65.3	Low	62.3	Low	38 Å²	38	102.3 Å²	102.3	31%	0.314	50%	0.495	S	S	.	.	H	α-helix	trans	-67.8	-44.1	173.7	0	0	0	0	0	112	E366 E367 E368 R373 K374	E366-A370 WeakPolarHBondContact O-CB 3.27Å; E366-A370 PolarHBondContact O-N 2.84Å; E367-A370 CarbonylContact O-C 3.59Å; E367-A370 WeakPolarHBondContact O-CB 3.33Å; E367-A370 PolarHBondContact O-N 2.85Å; E367-A370 VanDerWaalsContact O-N 3.14Å; E368-A370 VanDerWaalsContact C-N 3.26Å; E368-A370 PolarHBondContact O-N 3.37Å; A370-R373 PolarHBondContact O-N 2.76Å; A370-K374 WeakPolarHBondContact O-CG 3.43Å; A370-K374 PolarHBondContact O-N 2.85Å
371	E	69.3	Low	63.2	Low	82 Å²	82	101.8 Å²	101.8	38%	0.383	49%	0.487	S	S	.	.	H	α-helix	trans	-57.9	-50	171.7	-88.1	-59	121.3	0	0	111.7	E367 E368 R373 K374 L375	E367-E371 PolarHBondContact O-N 2.92Å; E368-E371 PolarHBondContact O-N 2.85Å; E371-R373 PolarHBondContact O-N 3.18Å; E371-K374 WeakPolarHBondContact O-CB 3.32Å; E371-K374 PolarHBondContact O-N 3.06Å; E371-K374 VanDerWaalsContact O-N 3.08Å; E371-K374 VanDerWaalsContact OE1-CD 3.25Å; E371-K374 WeakPolarHBondContact OE1-CD 3.36Å; E371-K374 WeakPolarHBondContact OE1-CE 3.32Å; E371-K374 IonicContact OE1-NZ 2.84Å; E371-K374 PolarHBondContact OE1-NZ 2.85Å; E371-L375 WeakPolarHBondContact O-CB 3.29Å; E371-L375 WeakPolarHBondContact O-CG 3.32Å; E371-L375 PolarHBondContact O-N 3.12Å
372	Y	63.9	Low	63.6	Low	154 Å²	154	105.1 Å²	105.1	60%	0.604	49%	0.491	S	S	*	.	H	α-helix	trans	-58.1	-35.8	177.6	-121.6	-79.8	0	0	0	112.2	E368 A376	E368-Y372 PolarHBondContact O-N 2.82Å; Y372-A376 WeakPolarHBondContact O-CB 3.42Å; Y372-A376 PolarHBondContact O-N 3.31Å
373	R	61.7	Low	64	Low	129 Å²	129	108.7 Å²	108.7	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-71.7	-41.7	174.3	-73.1	168.2	-178.3	-173.5	3.2	112.6	I369 A370 E371 A376 Y377	I369-R373 WeakPolarHBondContact O-CB 3.44Å; I369-R373 WeakPolarHBondContact O-CD 3.49Å; I369-R373 WeakPolarHBondContact O-CG 3.37Å; I369-R373 PolarHBondContact O-N 2.91Å; A370-R373 PolarHBondContact O-N 2.76Å; E371-R373 PolarHBondContact O-N 3.18Å; R373-A376 PolarHBondContact O-N 2.68Å; R373-Y377 WeakPolarHBondContact O-CB 3.34Å; R373-Y377 PolarHBondContact O-N 3.09Å
374	K	68	Low	64.2	Low	112 Å²	112	104 Å²	104	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-57.9	-48.6	171.8	-67.8	170.4	-153	166	0	110.2	A370 E371 Y377 A378	A370-K374 WeakPolarHBondContact O-CG 3.43Å; A370-K374 PolarHBondContact O-N 2.85Å; E371-K374 WeakPolarHBondContact O-CB 3.32Å; E371-K374 PolarHBondContact O-N 3.06Å; E371-K374 VanDerWaalsContact O-N 3.08Å; E371-K374 VanDerWaalsContact OE1-CD 3.25Å; E371-K374 WeakPolarHBondContact OE1-CD 3.36Å; E371-K374 WeakPolarHBondContact OE1-CE 3.32Å; E371-K374 IonicContact OE1-NZ 2.84Å; E371-K374 PolarHBondContact OE1-NZ 2.85Å; K374-Y377 PolarHBondContact O-N 2.94Å; K374-A378 VanDerWaalsContact O-CB 3.32Å; K374-A378 WeakPolarHBondContact O-CB 3.17Å; K374-A378 PolarHBondContact O-N 3.48Å
375	L	67.3	Low	64.3	Low	86 Å²	86	101.6 Å²	101.6	45%	0.45	46%	0.464	S	S	.	.	H	α-helix	trans	-63.7	-41.5	178.6	-71.3	167.7	0	0	0	112.4	E371 R379	E371-L375 WeakPolarHBondContact O-CB 3.29Å; E371-L375 WeakPolarHBondContact O-CG 3.32Å; E371-L375 PolarHBondContact O-N 3.12Å; L375-R379 WeakPolarHBondContact O-CB 3.44Å; L375-R379 PolarHBondContact O-N 3.03Å
376	A	64.5	Low	64.6	Low	55 Å²	55	102.8 Å²	102.8	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-66.9	-41.6	175.9	0	0	0	0	0	112.3	Y372 R373 K380	Y372-A376 WeakPolarHBondContact O-CB 3.42Å; Y372-A376 PolarHBondContact O-N 3.31Å; R373-A376 PolarHBondContact O-N 2.68Å; A376-K380 WeakPolarHBondContact O-CB 3.38Å; A376-K380 PolarHBondContact O-N 3.12Å
377	Y	61.7	Low	65.2	Low	109 Å²	109	102 Å²	102	43%	0.427	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-47.3	173.8	171.6	-121.8	0	0	0	111.3	S304 R373 K374 K380 K381	S304-Y377 WeakPolarHBondContact OG-CD2 3.21Å; S304-Y377 WeakPolarHBondContact OG-CE2 3.37Å; R373-Y377 WeakPolarHBondContact O-CB 3.34Å; R373-Y377 PolarHBondContact O-N 3.09Å; K374-Y377 PolarHBondContact O-N 2.94Å; Y377-K380 WeakPolarHBondContact O-CB 3.23Å; Y377-K380 PolarHBondContact O-N 2.86Å; Y377-K380 VanDerWaalsContact O-N 3.17Å; Y377-K381 PolarHBondContact O-N 3.24Å
378	A	64.1	Low	65.7	Low	35 Å²	35	96.3 Å²	96.3	29%	0.289	44%	0.441	S	S	.	.	H	α-helix	trans	-57.6	-51.8	174.7	0	0	0	0	0	111.3	K374 K380 K381 W382	K374-A378 VanDerWaalsContact O-CB 3.32Å; K374-A378 WeakPolarHBondContact O-CB 3.17Å; K374-A378 PolarHBondContact O-N 3.48Å; A378-K380 PolarHBondContact O-N 2.88Å; A378-K380 VanDerWaalsContact O-N 3.15Å; A378-K381 PolarHBondContact O-N 2.87Å; A378-K381 VanDerWaalsContact O-N 3.09Å; A378-W382 WeakPolarHBondContact O-CB 3.34Å; A378-W382 PolarHBondContact O-N 2.99Å
379	R	67.8	Low	66.3	Low	157 Å²	157	93 Å²	93	59%	0.592	43%	0.433	S	S	*	.	H	α-helix	trans	-62.4	-20.9	178.7	-162.8	-175.5	-57.1	177.9	3.4	113.3	L375 R383	L375-R379 WeakPolarHBondContact O-CB 3.44Å; L375-R379 PolarHBondContact O-N 3.03Å; R379-R383 PolarHBondContact O-NE 3.41Å
380	K	62.9	Low	67.3	Low	110 Å²	110	93.5 Å²	93.5	48%	0.478	44%	0.437	S	S	.	.	H	α-helix	trans	-82.3	-46.8	171.5	-160.5	169.8	-172.2	171.9	0	111.1	A376 Y377 A378 W382 R383 L384	A376-K380 WeakPolarHBondContact O-CB 3.38Å; A376-K380 PolarHBondContact O-N 3.12Å; Y377-K380 WeakPolarHBondContact O-CB 3.23Å; Y377-K380 PolarHBondContact O-N 2.86Å; Y377-K380 VanDerWaalsContact O-N 3.17Å; A378-K380 PolarHBondContact O-N 2.88Å; A378-K380 VanDerWaalsContact O-N 3.15Å; K380-W382 PolarHBondContact O-N 3.38Å; K380-R383 PolarHBondContact O-N 3.38Å; K380-L384 HydrophobicContact CG-CD1 4.25Å; K380-L384 VanDerWaalsContact O-CD1 3.26Å; K380-L384 WeakPolarHBondContact O-CD1 3.5Å; K380-L384 VanDerWaalsContact O-CG 3.27Å; K380-L384 WeakPolarHBondContact O-CG 3.5Å; K380-L384 PolarHBondContact O-N 2.88Å
381	K	64.2	Low	68.4	Low	116 Å²	116	93 Å²	93	50%	0.504	43%	0.43	S	S	.	.	H	α-helix	trans	-59.2	-43.9	174.9	-175.9	176.1	178.1	179.5	0	112.2	Y377 A378 L384 L385	Y377-K381 PolarHBondContact O-N 3.24Å; A378-K381 PolarHBondContact O-N 2.87Å; A378-K381 VanDerWaalsContact O-N 3.09Å; K381-L384 PolarHBondContact O-N 3.05Å; K381-L384 VanDerWaalsContact O-N 3.14Å; K381-L385 HydrophobicContact CG-CD1 4.25Å; K381-L385 PolarHBondContact O-N 3.05Å
382	W	61.2	Low	69.3	Low	185 Å²	185	89.5 Å²	89.5	70%	0.701	41%	0.414	S	S	*	.	H	α-helix	trans	-57.1	-51.7	175.7	-80.4	116	0	0	0	112.1	A378 K380 L384 L385 D386	A378-W382 WeakPolarHBondContact O-CB 3.34Å; A378-W382 PolarHBondContact O-N 2.99Å; K380-W382 PolarHBondContact O-N 3.38Å; W382-L384 PolarHBondContact O-N 3Å; W382-L385 PolarHBondContact O-N 3.17Å; W382-D386 VanDerWaalsContact O-CB 3.25Å; W382-D386 WeakPolarHBondContact O-CB 3.32Å; W382-D386 PolarHBondContact O-N 2.82Å
383	R	61.7	Low	70.4	Confident	167 Å²	167	90.8 Å²	90.8	63%	0.63	42%	0.417	S	S	*	.	H	α-helix	trans	-63	-5.6	177	-76.9	-169.8	-68.1	169.7	-3.8	115.4	R379 K380	R379-R383 PolarHBondContact O-NE 3.41Å; K380-R383 PolarHBondContact O-N 3.38Å
384	L	59.5	Low	71.8	Confident	51 Å²	51	88.9 Å²	88.9	27%	0.267	42%	0.416	S	S	.	.	H	α-helix	trans	-111.9	-33.4	-177.4	-68.4	166.8	0	0	0	111.9	L300 K380 K381 W382 F387 G388	L300-L384 HydrophobicContact CB-CD1 4.22Å; L300-L384 HydrophobicContact CD1-CB 3.99Å; L300-L384 HydrophobicContact CD1-CD1 3.86Å; L300-L384 HydrophobicContact CD1-CD2 3.66Å; L300-L384 HydrophobicContact CD1-CG 4.01Å; L300-L384 HydrophobicContact CD2-CD1 3.77Å; L300-L384 HydrophobicContact CD2-CD2 4.06Å; L300-L384 HydrophobicContact CG-CD1 4.14Å; L300-L384 HydrophobicContact CG-CD2 4.48Å; K380-L384 HydrophobicContact CG-CD1 4.25Å; K380-L384 VanDerWaalsContact O-CD1 3.26Å; K380-L384 WeakPolarHBondContact O-CD1 3.5Å; K380-L384 VanDerWaalsContact O-CG 3.27Å; K380-L384 WeakPolarHBondContact O-CG 3.5Å; K380-L384 PolarHBondContact O-N 2.88Å; K381-L384 PolarHBondContact O-N 3.05Å; K381-L384 VanDerWaalsContact O-N 3.14Å; W382-L384 PolarHBondContact O-N 3Å; L384-F387 PolarHBondContact O-N 2.8Å; L384-G388 PolarHBondContact O-N 2.95Å
385	L	61.9	Low	72.9	Confident	39 Å²	39	84 Å²	84	20%	0.204	40%	0.396	C	S	.	.	H	α-helix	trans	-58.2	-41.9	157.6	-71.7	164.5	0	0	0	110.5	K381 W382 G388 A389	K381-L385 HydrophobicContact CG-CD1 4.25Å; K381-L385 PolarHBondContact O-N 3.05Å; W382-L385 PolarHBondContact O-N 3.17Å; L385-G388 PolarHBondContact O-N 3.31Å; L385-A389 VanDerWaalsContact O-CB 3.31Å; L385-A389 WeakPolarHBondContact O-CB 3.33Å; L385-A389 PolarHBondContact O-N 2.84Å
386	D	69.7	Low	73.9	Confident	113 Å²	113	84.8 Å²	84.8	60%	0.604	40%	0.396	S	S	*	.	H	α-helix	trans	-60.6	-41.7	174.5	-168.2	43	0	0	0	112.1	W382 N390	W382-D386 VanDerWaalsContact O-CB 3.25Å; W382-D386 WeakPolarHBondContact O-CB 3.32Å; W382-D386 PolarHBondContact O-N 2.82Å; D386-N390 VanDerWaalsContact O-CB 3.23Å; D386-N390 WeakPolarHBondContact O-CB 3.33Å; D386-N390 PolarHBondContact O-N 2.81Å
387	F	75.6	Confident	75.2	Confident	90 Å²	90	86.6 Å²	86.6	40%	0.395	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-47.3	173.3	-177.9	-93.2	0	0	0	112.3	F292 Q296 L384 N390 V391	F292-F387 HydrophobicContact CE1-CE1 4.45Å; Q296-F387 HydrophobicContact CG-CD1 4.34Å; Q296-F387 HydrophobicContact CG-CE1 4.34Å; L384-F387 PolarHBondContact O-N 2.8Å; F387-N390 PolarHBondContact O-N 3.48Å; F387-V391 HydrophobicContact CD1-CG2 4.34Å; F387-V391 HydrophobicContact CE1-CG2 3.9Å; F387-V391 HydrophobicContact CZ-CG2 4.09Å; F387-V391 WeakPolarHBondContact O-CG2 3.28Å; F387-V391 PolarHBondContact O-N 3.05Å
388	G	77.1	Confident	76.7	Confident	8 Å²	8	84.7 Å²	84.7	8%	0.082	40%	0.397	C	S	.	.	H	α-helix	trans	-60	-50.3	177.8	0	0	0	0	0	112.2	L384 L385 N390 V391 D392	L384-G388 PolarHBondContact O-N 2.95Å; L385-G388 PolarHBondContact O-N 3.31Å; G388-N390 PolarHBondContact O-N 2.76Å; G388-V391 PolarHBondContact O-N 3.26Å; G388-D392 PolarHBondContact O-N 3.17Å
389	A	80.4	Confident	78.1	Confident	46 Å²	46	84.1 Å²	84.1	38%	0.38	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-30	177	0	0	0	0	0	113.1	L385 R393	L385-A389 VanDerWaalsContact O-CB 3.31Å; L385-A389 WeakPolarHBondContact O-CB 3.33Å; L385-A389 PolarHBondContact O-N 2.84Å; A389-R393 WeakPolarHBondContact O-CB 3.48Å; A389-R393 PolarHBondContact O-N 2.63Å
390	N	85.6	Confident	79.3	Confident	82 Å²	82	78.7 Å²	78.7	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-73.2	-34	173.7	-169.4	57.7	0	0	0	112.4	D386 F387 G388 I394	D386-N390 VanDerWaalsContact O-CB 3.23Å; D386-N390 WeakPolarHBondContact O-CB 3.33Å; D386-N390 PolarHBondContact O-N 2.81Å; F387-N390 PolarHBondContact O-N 3.48Å; G388-N390 PolarHBondContact O-N 2.76Å; N390-I394 WeakPolarHBondContact O-CD1 3.35Å; N390-I394 VanDerWaalsContact O-CG1 3.26Å; N390-I394 WeakPolarHBondContact O-CG1 3.24Å; N390-I394 PolarHBondContact O-N 2.99Å; N390-I394 VanDerWaalsContact O-N 3.11Å
391	V	87.7	Confident	80.7	Confident	28 Å²	28	78.9 Å²	78.9	17%	0.17	38%	0.378	C	S	.	.	H	α-helix	trans	-65.7	-50.9	170.7	-178.1	0	0	0	0	109.9	V293 F387 G388 R393 I394 S395	V293-V391 HydrophobicContact CG2-CB 4.4Å; V293-V391 HydrophobicContact CG2-CG1 4.26Å; F387-V391 HydrophobicContact CD1-CG2 4.34Å; F387-V391 HydrophobicContact CE1-CG2 3.9Å; F387-V391 HydrophobicContact CZ-CG2 4.09Å; F387-V391 WeakPolarHBondContact O-CG2 3.28Å; F387-V391 PolarHBondContact O-N 3.05Å; G388-V391 PolarHBondContact O-N 3.26Å; V391-R393 VanDerWaalsContact C-N 3.25Å; V391-R393 PolarHBondContact O-N 3.37Å; V391-I394 PolarHBondContact O-N 3.35Å; V391-S395 PolarHBondContact O-N 3.22Å; V391-S395 PolarHBondContact O-OG 3.34Å
392	D	88.1	Confident	82.2	Confident	7 Å²	7	76.4 Å²	76.4	4%	0.037	37%	0.373	C	S	.	.	H	α-helix	trans	-50.7	-45.4	174.7	-73.3	-56.9	0	0	0	112	T235 R241 G388 I394 S395 F396	T235-D392 VanDerWaalsContact CG2-OD2 3.27Å; T235-D392 WeakPolarHBondContact CG2-OD2 3.39Å; R241-D392 IonicContact CZ-OD1 2.67Å; R241-D392 VanDerWaalsContact CZ-OD1 3.26Å; R241-D392 IonicContact CZ-OD2 3.1Å; R241-D392 IonicContact NH1-OD1 3.48Å; R241-D392 PolarHBondContact NH1-OD1 2.96Å; R241-D392 IonicContact NH1-OD2 2.68Å; R241-D392 PolarHBondContact NH1-OD2 3.23Å; R241-D392 IonicContact NH2-OD1 2.75Å; R241-D392 PolarHBondContact NH2-OD1 3.22Å; R241-D392 IonicContact NH2-OD2 2.69Å; R241-D392 PolarHBondContact NH2-OD2 2.74Å; G388-D392 PolarHBondContact O-N 3.17Å; D392-I394 PolarHBondContact O-N 2.73Å; D392-S395 WeakPolarHBondContact O-CB 3.42Å; D392-S395 PolarHBondContact O-N 2.67Å; D392-F396 WeakPolarHBondContact O-CB 3.24Å; D392-F396 PolarHBondContact O-N 3.18Å
393	R	88.1	Confident	83.7	Confident	182 Å²	182	68 Å²	68	69%	0.687	34%	0.341	S	S	*	.	H	α-helix	trans	-67.1	-32.6	-178.9	-173.2	178	-172.4	174.7	3.3	113.1	A389 V391	A389-R393 WeakPolarHBondContact O-CB 3.48Å; A389-R393 PolarHBondContact O-N 2.63Å; V391-R393 VanDerWaalsContact C-N 3.25Å; V391-R393 PolarHBondContact O-N 3.37Å
394	I	90.1	Very high	85.2	Confident	88 Å²	88	62.4 Å²	62.4	45%	0.451	33%	0.331	S	S	.	.	H	α-helix	trans	-73.7	-46.2	172.7	-68.6	163.9	0	0	0	109.4	N390 V391 D392 F396 I397 V398	N390-I394 WeakPolarHBondContact O-CD1 3.35Å; N390-I394 VanDerWaalsContact O-CG1 3.26Å; N390-I394 WeakPolarHBondContact O-CG1 3.24Å; N390-I394 PolarHBondContact O-N 2.99Å; N390-I394 VanDerWaalsContact O-N 3.11Å; V391-I394 PolarHBondContact O-N 3.35Å; D392-I394 PolarHBondContact O-N 2.73Å; I394-F396 VanDerWaalsContact C-N 3.32Å; I394-F396 PolarHBondContact O-N 2.9Å; I394-I397 PolarHBondContact O-N 2.95Å; I394-V398 HydrophobicContact CG2-CG2 3.88Å; I394-V398 WeakPolarHBondContact O-CG2 3.49Å; I394-V398 PolarHBondContact O-N 3.16Å
395	S	91.1	Very high	86.9	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.063	34%	0.34	C	S	.	.	H	α-helix	trans	-55.3	-45.4	176.9	-59.3	0	0	0	0	112	E289 V391 D392 I397 V398 F399	E289-S395 VanDerWaalsContact CG-OG 3.31Å; E289-S395 WeakPolarHBondContact CG-OG 3.45Å; E289-S395 WeakPolarHBondContact OE1-CB 3.48Å; E289-S395 PolarHBondContact OE1-OG 3.19Å; V391-S395 PolarHBondContact O-N 3.22Å; V391-S395 PolarHBondContact O-OG 3.34Å; D392-S395 WeakPolarHBondContact O-CB 3.42Å; D392-S395 PolarHBondContact O-N 2.67Å; S395-I397 PolarHBondContact O-N 3.1Å; S395-I397 VanDerWaalsContact O-N 3.12Å; S395-V398 PolarHBondContact O-N 3.38Å; S395-F399 WeakPolarHBondContact O-CB 3.27Å; S395-F399 VanDerWaalsContact O-CD2 3.3Å; S395-F399 WeakPolarHBondContact O-CD2 3.38Å; S395-F399 PolarHBondContact O-N 3.33Å
396	F	89.6	Confident	88.5	Confident	103 Å²	103	62.8 Å²	62.8	45%	0.452	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-22.3	177.1	-175.3	-101.3	0	0	0	114.3	F231 C232 D392 I394 P400	F231-F396 HydrophobicContact CB-CB 4.25Å; F231-F396 HydrophobicContact CB-CD2 4.37Å; C232-F396 WeakPolarHBondContact SG-CE2 3.32Å; D392-F396 WeakPolarHBondContact O-CB 3.24Å; D392-F396 PolarHBondContact O-N 3.18Å; I394-F396 VanDerWaalsContact C-N 3.32Å; I394-F396 PolarHBondContact O-N 2.9Å; F396-P400 WeakPolarHBondContact O-CD 3.44Å; F396-P400 VanDerWaalsContact O-CG 3.27Å; F396-P400 WeakPolarHBondContact O-CG 3.37Å
397	I	90.6	Very high	89.5	Confident	94 Å²	94	58.3 Å²	58.3	48%	0.482	32%	0.315	S	S	.	.	H	α-helix	trans	-96.8	-44.3	175.9	-62.9	172.6	0	0	0	110.8	I394 S395 L401	I394-I397 PolarHBondContact O-N 2.95Å; S395-I397 PolarHBondContact O-N 3.1Å; S395-I397 VanDerWaalsContact O-N 3.12Å; I397-L401 HydrophobicContact CG2-CD1 3.69Å; I397-L401 HydrophobicContact CG2-CG 4.45Å; I397-L401 WeakPolarHBondContact O-CB 3.35Å; I397-L401 VanDerWaalsContact O-CG 3.27Å; I397-L401 WeakPolarHBondContact O-CG 3.35Å; I397-L401 PolarHBondContact O-N 3.3Å
398	V	93.3	Very high	90.3	Very high	69 Å²	69	58.7 Å²	58.7	42%	0.418	33%	0.325	S	S	.	.	H	α-helix	trans	-70.1	-41.3	-174.2	174.7	0	0	0	0	112.3	I394 S395 L401 T402	I394-V398 HydrophobicContact CG2-CG2 3.88Å; I394-V398 WeakPolarHBondContact O-CG2 3.49Å; I394-V398 PolarHBondContact O-N 3.16Å; S395-V398 PolarHBondContact O-N 3.38Å; V398-L401 PolarHBondContact O-N 2.92Å; V398-T402 HydrophobicContact CG1-CG2 4.12Å; V398-T402 WeakPolarHBondContact O-CB 3.33Å; V398-T402 WeakPolarHBondContact O-CG2 3.22Å; V398-T402 PolarHBondContact O-N 3.24Å; V398-T402 PolarHBondContact O-OG1 2.92Å
399	F	93.5	Very high	91.1	Very high	22 Å²	22	63 Å²	63	10%	0.096	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-50	-179.1	-81.7	-109	0	0	0	112.3	W228 F231 F282 A285 S395 L401 T402 F403	W228-F399 HydrophobicContact CZ2-CB 4.33Å; W228-F399 AromaticContact NE1-CD1 3.78Å; F231-F399 HydrophobicContact CE2-CB 4.26Å; F231-F399 HydrophobicContact CE2-CD1 4.47Å; F231-F399 HydrophobicContact CE2-CD2 4.15Å; F231-F399 HydrophobicContact CE2-CG 4.07Å; F231-F399 HydrophobicContact CZ-CD1 4.32Å; F231-F399 AromaticContact CZ-CD2 3.99Å; F231-F399 HydrophobicContact CZ-CD2 3.99Å; F231-F399 HydrophobicContact CZ-CE1 4.33Å; F231-F399 AromaticContact CZ-CE2 3.99Å; F231-F399 HydrophobicContact CZ-CE2 3.99Å; F231-F399 HydrophobicContact CZ-CG 4.15Å; F231-F399 HydrophobicContact CZ-CZ 4.16Å; F282-F399 HydrophobicContact CD1-CD1 4.03Å; A285-F399 HydrophobicContact CB-CE1 3.79Å; A285-F399 HydrophobicContact CB-CZ 3.99Å; S395-F399 WeakPolarHBondContact O-CB 3.27Å; S395-F399 VanDerWaalsContact O-CD2 3.3Å; S395-F399 WeakPolarHBondContact O-CD2 3.38Å; S395-F399 PolarHBondContact O-N 3.33Å; F399-L401 PolarHBondContact O-N 2.86Å; F399-T402 PolarHBondContact O-OG1 3.4Å; F399-F403 WeakPolarHBondContact O-CB 3.42Å; F399-F403 PolarHBondContact O-N 2.86Å
400	P	93.1	Very high	91.6	Very high	44 Å²	44	61.1 Å²	61.1	29%	0.286	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-40	174.9	-25.7	36.1	0	0	0	113.9	W228 F396 A404	W228-P400 HydrophobicContact CD2-CG 4.43Å; W228-P400 HydrophobicContact CE3-CB 4.44Å; W228-P400 HydrophobicContact CE3-CG 3.81Å; W228-P400 HydrophobicContact CH2-CB 4.4Å; W228-P400 HydrophobicContact CH2-CG 4.45Å; W228-P400 HydrophobicContact CZ3-CB 3.95Å; W228-P400 HydrophobicContact CZ3-CG 3.83Å; F396-P400 WeakPolarHBondContact O-CD 3.44Å; F396-P400 VanDerWaalsContact O-CG 3.27Å; F396-P400 WeakPolarHBondContact O-CG 3.37Å; P400-A404 WeakPolarHBondContact O-CB 3.09Å; P400-A404 PolarHBondContact O-N 3Å
401	L	93.2	Very high	91.7	Very high	113 Å²	113	60.1 Å²	60.1	59%	0.592	32%	0.322	S	S	*	.	H	α-helix	trans	-66.8	-43.8	179.9	-73.8	177	0	0	0	112.6	I397 V398 F399 A404 A405	I397-L401 HydrophobicContact CG2-CD1 3.69Å; I397-L401 HydrophobicContact CG2-CG 4.45Å; I397-L401 WeakPolarHBondContact O-CB 3.35Å; I397-L401 VanDerWaalsContact O-CG 3.27Å; I397-L401 WeakPolarHBondContact O-CG 3.35Å; I397-L401 PolarHBondContact O-N 3.3Å; V398-L401 PolarHBondContact O-N 2.92Å; F399-L401 PolarHBondContact O-N 2.86Å; L401-A404 PolarHBondContact O-N 3.08Å; L401-A405 PolarHBondContact O-N 3.47Å
402	T	94.4	Very high	91.8	Very high	64 Å²	64	62.2 Å²	62.2	39%	0.393	34%	0.336	S	S	.	.	H	α-helix	trans	-68.3	-38.9	178.6	49.6	0	0	0	0	111.9	F282 V398 F399 A405 F406	F282-T402 WeakPolarHBondContact CE1-OG1 3.31Å; V398-T402 HydrophobicContact CG1-CG2 4.12Å; V398-T402 WeakPolarHBondContact O-CB 3.33Å; V398-T402 WeakPolarHBondContact O-CG2 3.22Å; V398-T402 PolarHBondContact O-N 3.24Å; V398-T402 PolarHBondContact O-OG1 2.92Å; F399-T402 PolarHBondContact O-OG1 3.4Å; T402-A405 PolarHBondContact O-N 3.37Å; T402-F406 PolarHBondContact O-N 2.98Å
403	F	94.1	Very high	91.8	Very high	9 Å²	9	69 Å²	69	4%	0.039	36%	0.362	C	S	.	.	H	α-helix	trans	-68.3	-36.6	172.8	-177.2	-107.1	0	0	0	112.6	Y221 L224 W228 W275 F282 F399 F406 N407	Y221-F403 AromaticContact CD1-CE1 3.66Å; Y221-F403 HydrophobicContact CD1-CE1 3.66Å; Y221-F403 AromaticContact CD1-CZ 3.82Å; Y221-F403 HydrophobicContact CD1-CZ 3.82Å; Y221-F403 AromaticContact CE1-CE1 3.69Å; Y221-F403 HydrophobicContact CE1-CE1 3.69Å; Y221-F403 AromaticContact CE1-CZ 3.75Å; Y221-F403 HydrophobicContact CE1-CZ 3.75Å; L224-F403 HydrophobicContact CD1-CD2 4.08Å; L224-F403 HydrophobicContact CD1-CE1 4.03Å; L224-F403 HydrophobicContact CD1-CE2 3.41Å; L224-F403 VanDerWaalsContact CD1-CE2 3.41Å; L224-F403 HydrophobicContact CD1-CZ 3.37Å; W228-F403 HydrophobicContact CH2-CB 3.76Å; W228-F403 AromaticContact CH2-CD1 3.69Å; W228-F403 HydrophobicContact CH2-CD1 3.69Å; W228-F403 AromaticContact CH2-CG 3.91Å; W228-F403 HydrophobicContact CH2-CG 3.91Å; W228-F403 HydrophobicContact CZ2-CB 3.97Å; W228-F403 HydrophobicContact CZ2-CD1 4.39Å; W228-F403 HydrophobicContact CZ2-CG 4.22Å; W275-F403 HydrophobicContact CH2-CE2 4.16Å; W275-F403 AromaticContact CH2-CZ 3.72Å; W275-F403 HydrophobicContact CH2-CZ 3.72Å; W275-F403 HydrophobicContact CZ2-CE2 4.43Å; W275-F403 AromaticContact CZ2-CZ 3.97Å; W275-F403 HydrophobicContact CZ2-CZ 3.97Å; F282-F403 AromaticContact CD2-CD2 3.84Å; F282-F403 HydrophobicContact CD2-CD2 3.84Å; F282-F403 HydrophobicContact CE1-CB 4.43Å; F282-F403 HydrophobicContact CE2-CB 4.2Å; F282-F403 AromaticContact CE2-CD2 3.8Å; F282-F403 HydrophobicContact CE2-CD2 3.8Å; F282-F403 HydrophobicContact CZ-CB 4.1Å; F399-F403 WeakPolarHBondContact O-CB 3.42Å; F399-F403 PolarHBondContact O-N 2.86Å; F403-F406 HydrophobicContact CD2-CD1 4.08Å; F403-F406 HydrophobicContact CE2-CD1 4.05Å; F403-F406 HydrophobicContact CE2-CE1 4.39Å; F403-F406 PolarHBondContact O-N 3.16Å; F403-N407 WeakPolarHBondContact CD1-ND2 3.3Å; F403-N407 WeakPolarHBondContact CE1-ND2 3.41Å; F403-N407 WeakPolarHBondContact CE2-ND2 3.43Å; F403-N407 WeakPolarHBondContact CZ-ND2 3.44Å; F403-N407 PolarHBondContact O-N 3.17Å; F403-N407 PolarHBondContact O-ND2 3.09Å
404	A	93.4	Very high	91.6	Very high	49 Å²	49	62.1 Å²	62.1	41%	0.405	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-41.8	173.8	0	0	0	0	0	111.8	P400 L401 N407 V408	P400-A404 WeakPolarHBondContact O-CB 3.09Å; P400-A404 PolarHBondContact O-N 3Å; L401-A404 PolarHBondContact O-N 3.08Å; A404-N407 WeakPolarHBondContact O-CB 3.22Å; A404-N407 PolarHBondContact O-N 3.15Å; A404-V408 WeakPolarHBondContact O-CG2 3.27Å; A404-V408 PolarHBondContact O-N 3.22Å
405	A	94.7	Very high	91.1	Very high	57 Å²	57	61.3 Å²	61.3	47%	0.471	33%	0.332	S	S	.	.	H	α-helix	trans	-62.4	-44.2	173.6	0	0	0	0	0	112.1	L401 T402 N407 V408 V409	L401-A405 PolarHBondContact O-N 3.47Å; T402-A405 PolarHBondContact O-N 3.37Å; A405-N407 VanDerWaalsContact C-N 3.31Å; A405-N407 PolarHBondContact O-N 3.26Å; A405-V408 PolarHBondContact O-N 2.8Å; A405-V409 PolarHBondContact O-N 2.87Å; A405-V409 VanDerWaalsContact O-N 3.14Å
406	F	94.4	Very high	90.2	Very high	41 Å²	41	66.4 Å²	66.4	18%	0.18	36%	0.355	C	S	.	.	H	α-helix	trans	-57.3	-43.6	172.2	167.9	-105.7	0	0	0	112	W275 T278 T402 F403 V409 Y410	W275-F406 HydrophobicContact CD2-CE1 4.42Å; W275-F406 AromaticContact CE3-CE1 3.57Å; W275-F406 HydrophobicContact CE3-CE1 3.57Å; W275-F406 HydrophobicContact CE3-CZ 4.03Å; W275-F406 HydrophobicContact CH2-CE1 4.47Å; W275-F406 HydrophobicContact CZ3-CD1 4.31Å; W275-F406 AromaticContact CZ3-CE1 3.61Å; W275-F406 HydrophobicContact CZ3-CE1 3.61Å; W275-F406 HydrophobicContact CZ3-CZ 4.44Å; T278-F406 HydrophobicContact CG2-CD1 3.82Å; T278-F406 HydrophobicContact CG2-CD2 4.02Å; T278-F406 HydrophobicContact CG2-CE1 3.63Å; T278-F406 HydrophobicContact CG2-CE2 3.85Å; T278-F406 HydrophobicContact CG2-CG 4.01Å; T278-F406 HydrophobicContact CG2-CZ 3.65Å; T402-F406 PolarHBondContact O-N 2.98Å; F403-F406 HydrophobicContact CD2-CD1 4.08Å; F403-F406 HydrophobicContact CE2-CD1 4.05Å; F403-F406 HydrophobicContact CE2-CE1 4.39Å; F403-F406 PolarHBondContact O-N 3.16Å; F406-V409 PolarHBondContact O-N 2.86Å; F406-Y410 HydrophobicContact CE2-CD2 4.27Å; F406-Y410 AromaticContact CZ-CD2 3.85Å; F406-Y410 HydrophobicContact CZ-CD2 3.85Å; F406-Y410 HydrophobicContact CZ-CG 4.25Å; F406-Y410 VanDerWaalsContact O-CB 3.29Å; F406-Y410 WeakPolarHBondContact O-CB 3.05Å; F406-Y410 PolarHBondContact O-N 3.48Å
407	N	92.4	Very high	88.7	Confident	20 Å²	20	64.8 Å²	64.8	11%	0.107	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-45.8	177.2	-89.2	-94.3	0	0	0	112.3	Y221 W275 F403 A404 A405 V409 Y410 W411	Y221-N407 PolarHBondContact OH-OD1 2.95Å; W275-N407 VanDerWaalsContact CH2-OD1 3.32Å; W275-N407 WeakPolarHBondContact CH2-OD1 3.28Å; F403-N407 WeakPolarHBondContact CD1-ND2 3.3Å; F403-N407 WeakPolarHBondContact CE1-ND2 3.41Å; F403-N407 WeakPolarHBondContact CE2-ND2 3.43Å; F403-N407 WeakPolarHBondContact CZ-ND2 3.44Å; F403-N407 PolarHBondContact O-N 3.17Å; F403-N407 PolarHBondContact O-ND2 3.09Å; A404-N407 WeakPolarHBondContact O-CB 3.22Å; A404-N407 PolarHBondContact O-N 3.15Å; A405-N407 VanDerWaalsContact C-N 3.31Å; A405-N407 PolarHBondContact O-N 3.26Å; N407-V409 VanDerWaalsContact C-N 3.31Å; N407-V409 PolarHBondContact O-N 3.15Å; N407-Y410 PolarHBondContact O-N 3.04Å; N407-W411 WeakPolarHBondContact O-CB 3.45Å; N407-W411 PolarHBondContact O-N 2.96Å; N407-W411 PolarHBondContact OD1-NE1 3.32Å
408	V	92.4	Very high	87	Confident	98 Å²	98	63.5 Å²	63.5	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-56.6	-47.9	176.7	172.7	0	0	0	0	110.2	A404 A405 T412	A404-V408 WeakPolarHBondContact O-CG2 3.27Å; A404-V408 PolarHBondContact O-N 3.22Å; A405-V408 PolarHBondContact O-N 2.8Å; V408-T412 HydrophobicContact CG1-CG2 4.48Å; V408-T412 WeakPolarHBondContact O-CB 3.48Å; V408-T412 VanDerWaalsContact O-CG2 3.26Å; V408-T412 WeakPolarHBondContact O-CG2 3.41Å; V408-T412 PolarHBondContact O-N 3.1Å; V408-T412 PolarHBondContact O-OG1 2.81Å
409	V	92.6	Very high	84.8	Confident	98 Å²	98	68.8 Å²	68.8	59%	0.594	36%	0.36	S	S	*	.	H	α-helix	trans	-65.8	-45.8	179.5	176.3	0	0	0	0	112.6	A405 F406 N407 T412 Y413	A405-V409 PolarHBondContact O-N 2.87Å; A405-V409 VanDerWaalsContact O-N 3.14Å; F406-V409 PolarHBondContact O-N 2.86Å; N407-V409 VanDerWaalsContact C-N 3.31Å; N407-V409 PolarHBondContact O-N 3.15Å; V409-T412 PolarHBondContact O-OG1 3.1Å; V409-Y413 WeakPolarHBondContact O-CB 3.4Å; V409-Y413 PolarHBondContact O-N 2.71Å; V409-Y413 VanDerWaalsContact O-N 3.08Å
410	Y	91.3	Very high	82.7	Confident	6 Å²	6	72.9 Å²	72.9	2%	0.024	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-51.8	-179.1	-177.4	-89.3	0	0	0	111.2	Y217 A271 W275 F406 N407 Y413 Y414	Y217-Y410 HydrophobicContact CE1-CE1 4.07Å; Y217-Y410 PolarHBondContact OH-OH 3.07Å; A271-Y410 WeakPolarHBondContact O-CE2 3.35Å; A271-Y410 PolarHBondContact O-OH 3.29Å; W275-Y410 HydrophobicContact CB-CE2 3.98Å; W275-Y410 AromaticContact CE3-CD1 3.77Å; W275-Y410 HydrophobicContact CE3-CD1 3.77Å; W275-Y410 HydrophobicContact CE3-CD2 4.17Å; W275-Y410 AromaticContact CE3-CE1 3.73Å; W275-Y410 HydrophobicContact CE3-CE1 3.73Å; W275-Y410 HydrophobicContact CE3-CE2 4.12Å; W275-Y410 HydrophobicContact CE3-CG 4Å; W275-Y410 AromaticContact CE3-CZ 3.92Å; W275-Y410 HydrophobicContact CZ3-CD1 4.01Å; W275-Y410 HydrophobicContact CZ3-CE1 4.31Å; W275-Y410 HydrophobicContact CZ3-CG 4.32Å; F406-Y410 HydrophobicContact CE2-CD2 4.27Å; F406-Y410 AromaticContact CZ-CD2 3.85Å; F406-Y410 HydrophobicContact CZ-CD2 3.85Å; F406-Y410 HydrophobicContact CZ-CG 4.25Å; F406-Y410 VanDerWaalsContact O-CB 3.29Å; F406-Y410 WeakPolarHBondContact O-CB 3.05Å; F406-Y410 PolarHBondContact O-N 3.48Å; N407-Y410 PolarHBondContact O-N 3.04Å; Y410-Y413 PolarHBondContact O-N 3.15Å; Y410-Y414 HydrophobicContact CD1-CD2 4.15Å; Y410-Y414 AromaticContact CD2-CD2 3.8Å; Y410-Y414 HydrophobicContact CD2-CD2 3.8Å; Y410-Y414 AromaticContact CD2-CE2 3.68Å; Y410-Y414 HydrophobicContact CD2-CE2 3.68Å; Y410-Y414 HydrophobicContact CE1-CD2 4.02Å; Y410-Y414 AromaticContact CE2-CD2 3.67Å; Y410-Y414 HydrophobicContact CE2-CD2 3.67Å; Y410-Y414 AromaticContact CE2-CE2 3.44Å; Y410-Y414 HydrophobicContact CE2-CE2 3.44Å; Y410-Y414 VanDerWaalsContact CE2-CE2 3.44Å; Y410-Y414 HydrophobicContact CG-CD2 4.04Å; Y410-Y414 HydrophobicContact CG-CE2 4.38Å; Y410-Y414 AromaticContact CZ-CD2 3.78Å; Y410-Y414 AromaticContact CZ-CE2 3.95Å; Y410-Y414 WeakPolarHBondContact O-CD2 3.3Å; Y410-Y414 PolarHBondContact O-N 3.12Å
411	W	88.8	Confident	80.3	Confident	61 Å²	61	73.6 Å²	73.6	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-73.4	-30.9	-177.3	-65.9	113	0	0	0	112.6	I164 Y217 Y221 W275 N407 L415	I164-W411 HydrophobicContact CD1-CZ3 3.87Å; Y217-W411 HydrophobicContact CD1-CH2 4Å; Y217-W411 AromaticContact CD1-CZ2 3.91Å; Y217-W411 HydrophobicContact CD1-CZ2 3.91Å; Y217-W411 AromaticContact CD2-CH2 3.88Å; Y217-W411 HydrophobicContact CD2-CH2 3.88Å; Y217-W411 HydrophobicContact CD2-CZ2 4.49Å; Y217-W411 AromaticContact CE1-CH2 3.97Å; Y217-W411 HydrophobicContact CE1-CH2 3.97Å; Y217-W411 HydrophobicContact CE1-CZ2 4.12Å; Y217-W411 AromaticContact CE2-CH2 3.84Å; Y217-W411 HydrophobicContact CE2-CH2 3.84Å; Y217-W411 AromaticContact CG-CH2 3.96Å; Y217-W411 HydrophobicContact CG-CH2 3.96Å; Y217-W411 HydrophobicContact CG-CZ2 4.11Å; Y217-W411 AromaticContact CZ-CH2 3.89Å; Y221-W411 PolarHBondContact OH-NE1 3.42Å; Y221-W411 VanDerWaalsContact OH-NE1 3.08Å; W275-W411 HydrophobicContact CZ3-CZ2 4.45Å; W275-W411 AromaticContact CZ3-NE1 3.99Å; N407-W411 WeakPolarHBondContact O-CB 3.45Å; N407-W411 PolarHBondContact O-N 2.96Å; N407-W411 PolarHBondContact OD1-NE1 3.32Å; W411-L415 HydrophobicContact CB-CD1 4.16Å; W411-L415 HydrophobicContact CE3-CD1 3.88Å; W411-L415 HydrophobicContact CE3-CD2 4.28Å; W411-L415 HydrophobicContact CE3-CG 4.03Å; W411-L415 WeakPolarHBondContact O-CB 3.08Å; W411-L415 VanDerWaalsContact O-CG 3.23Å; W411-L415 WeakPolarHBondContact O-CG 3.19Å; W411-L415 PolarHBondContact O-N 3.29Å; W411-L415 VanDerWaalsContact O-N 3.08Å
412	T	88	Confident	77.7	Confident	73 Å²	73	72.8 Å²	72.8	45%	0.448	39%	0.388	S	S	.	.	H	α-helix	trans	-68.1	-41.2	171.8	54.5	0	0	0	0	111.8	V408 V409 Q416	V408-T412 HydrophobicContact CG1-CG2 4.48Å; V408-T412 WeakPolarHBondContact O-CB 3.48Å; V408-T412 VanDerWaalsContact O-CG2 3.26Å; V408-T412 WeakPolarHBondContact O-CG2 3.41Å; V408-T412 PolarHBondContact O-N 3.1Å; V408-T412 PolarHBondContact O-OG1 2.81Å; V409-T412 PolarHBondContact O-OG1 3.1Å; T412-Q416 WeakPolarHBondContact O-CB 3.29Å; T412-Q416 WeakPolarHBondContact O-CG 3.35Å; T412-Q416 PolarHBondContact O-N 2.84Å
413	Y	87.9	Confident	74.8	Confident	149 Å²	149	80.1 Å²	80.1	58%	0.584	41%	0.408	S	S	*	.	H	α-helix	trans	-64.9	-51.2	178.5	-177.7	-103.3	0	0	0	112.3	V409 Y410	V409-Y413 WeakPolarHBondContact O-CB 3.4Å; V409-Y413 PolarHBondContact O-N 2.71Å; V409-Y413 VanDerWaalsContact O-N 3.08Å; Y410-Y413 PolarHBondContact O-N 3.15Å
414	Y	83.9	Confident	71.7	Confident	37 Å²	37	88.2 Å²	88.2	15%	0.145	46%	0.459	C	S	.	.	H	α-helix	trans	-80.6	-19.5	-174.7	-71.4	-68.2	0	0	0	114.9	R161 A271 Y410	R161-Y414 HydrophobicContact CG-CD1 4.44Å; R161-Y414 HydrophobicContact CG-CE1 4.41Å; A271-Y414 HydrophobicContact CB-CD1 3.92Å; A271-Y414 HydrophobicContact CB-CD2 4.43Å; A271-Y414 HydrophobicContact CB-CE1 3.39Å; A271-Y414 HydrophobicContact CB-CE2 3.97Å; A271-Y414 HydrophobicContact CB-CG 4.42Å; A271-Y414 VanDerWaalsContact CB-CZ 3.41Å; Y410-Y414 HydrophobicContact CD1-CD2 4.15Å; Y410-Y414 AromaticContact CD2-CD2 3.8Å; Y410-Y414 HydrophobicContact CD2-CD2 3.8Å; Y410-Y414 AromaticContact CD2-CE2 3.68Å; Y410-Y414 HydrophobicContact CD2-CE2 3.68Å; Y410-Y414 HydrophobicContact CE1-CD2 4.02Å; Y410-Y414 AromaticContact CE2-CD2 3.67Å; Y410-Y414 HydrophobicContact CE2-CD2 3.67Å; Y410-Y414 AromaticContact CE2-CE2 3.44Å; Y410-Y414 HydrophobicContact CE2-CE2 3.44Å; Y410-Y414 VanDerWaalsContact CE2-CE2 3.44Å; Y410-Y414 HydrophobicContact CG-CD2 4.04Å; Y410-Y414 HydrophobicContact CG-CE2 4.38Å; Y410-Y414 AromaticContact CZ-CD2 3.78Å; Y410-Y414 AromaticContact CZ-CE2 3.95Å; Y410-Y414 WeakPolarHBondContact O-CD2 3.3Å; Y410-Y414 PolarHBondContact O-N 3.12Å
415	L	80.8	Confident	70.6	Confident	71 Å²	71	90.2 Å²	90.2	37%	0.372	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	2.5	177.3	-56.7	176.2	0	0	0	114.6	I164 W411	I164-L415 HydrophobicContact CD1-CD2 3.9Å; W411-L415 HydrophobicContact CB-CD1 4.16Å; W411-L415 HydrophobicContact CE3-CD1 3.88Å; W411-L415 HydrophobicContact CE3-CD2 4.28Å; W411-L415 HydrophobicContact CE3-CG 4.03Å; W411-L415 WeakPolarHBondContact O-CB 3.08Å; W411-L415 VanDerWaalsContact O-CG 3.23Å; W411-L415 WeakPolarHBondContact O-CG 3.19Å; W411-L415 PolarHBondContact O-N 3.29Å; W411-L415 VanDerWaalsContact O-N 3.08Å
416	Q	71.1	Confident	69.3	Low	116 Å²	116	91.9 Å²	91.9	54%	0.542	46%	0.461	S	S	.	.	S	Bend	trans	-70.7	-50.5	178.3	-94.9	166.4	1.3	0	0	112.1	T412 V418 R419	T412-Q416 WeakPolarHBondContact O-CB 3.29Å; T412-Q416 WeakPolarHBondContact O-CG 3.35Å; T412-Q416 PolarHBondContact O-N 2.84Å; Q416-V418 PolarHBondContact O-N 3.31Å; Q416-R419 WeakPolarHBondContact O-CB 3.45Å; Q416-R419 PolarHBondContact O-N 3.29Å; Q416-R419 VanDerWaalsContact O-N 3.16Å
417	D	58.1	Low	67.9	Low	70 Å²	70	94.8 Å²	94.8	37%	0.374	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-70	-29.5	-174.6	-87.8	-20.6	0	0	0	114.5	R161 R419 I420 S421	R161-D417 IonicContact CZ-OD2 2.77Å; R161-D417 IonicContact NH1-OD2 3.57Å; R161-D417 PolarHBondContact NH1-OD2 3.15Å; R161-D417 IonicContact NH2-OD2 3.39Å; R161-D417 PolarHBondContact NH2-OD2 3.48Å; D417-R419 PolarHBondContact O-N 3.03Å; D417-I420 PolarHBondContact O-N 3.3Å; D417-S421 PolarHBondContact O-N 2.03Å; D417-S421 PolarHBondContact O-OG 3.3Å
418	V	56	Low	66.5	Low	67 Å²	67	99.2 Å²	99.2	41%	0.406	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-57.3	-24.7	173.8	-173.1	0	0	0	0	111.6	I164 Q416 T422	I164-V418 HydrophobicContact CG2-CG2 3.69Å; Q416-V418 PolarHBondContact O-N 3.31Å; V418-T422 PolarHBondContact O-OG1 3.13Å; V418-T422 VanDerWaalsContact O-OG1 3.09Å
419	R	46.8	Very low	64.9	Low	179 Å²	179	99.3 Å²	99.3	68%	0.675	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-89.9	-1	178.5	-145.1	-173.1	-54.1	-171.2	3.7	113.9	Q416 D417 W423	Q416-R419 WeakPolarHBondContact O-CB 3.45Å; Q416-R419 PolarHBondContact O-N 3.29Å; Q416-R419 VanDerWaalsContact O-N 3.16Å; D417-R419 PolarHBondContact O-N 3.03Å; R419-W423 VanDerWaalsContact O-CD1 3.24Å
420	I	49.2	Very low	63	Low	109 Å²	109	99.3 Å²	99.3	56%	0.559	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-44	178.1	-57.1	-176.9	0	0	0	109.7	D417 T422 W423	D417-I420 PolarHBondContact O-N 3.3Å; I420-T422 PolarHBondContact O-N 3.25Å; I420-W423 PolarHBondContact O-N 3.17Å
421	S	42.7	Very low	61	Low	59 Å²	59	106 Å²	106	41%	0.413	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	5.4	175.8	56.9	0	0	0	0	115.4	D417	D417-S421 PolarHBondContact O-N 2.03Å; D417-S421 PolarHBondContact O-OG 3.3Å
422	T	39.8	Very low	58.9	Low	95 Å²	95	109.5 Å²	109.5	58%	0.583	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	6	178.5	36.9	0	0	0	0	113.6	V418 I420	V418-T422 PolarHBondContact O-OG1 3.13Å; V418-T422 VanDerWaalsContact O-OG1 3.09Å; I420-T422 PolarHBondContact O-N 3.25Å
423	W	31.4	Very low	56.5	Low	219 Å²	219	112.5 Å²	112.5	83%	0.83	55%	0.548	S	S	*	.			trans	-123.4	16.6	178.9	-64.8	90.4	0	0	0	113.9	R419 I420	R419-W423 VanDerWaalsContact O-CD1 3.24Å; I420-W423 PolarHBondContact O-N 3.17Å
424	T	29.8	Very low	53.6	Low	179 Å²	179	109.2 Å²	109.2	100%	1.098	55%	0.545	S	S	*	.			trans	-132.1	0	175.6	55.8	0	0	0	0	109.5

Retrieved 424 of 424 residues in 88.5 ms (Link to these results)

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