A0A3Q0KM52_SCHMA Loading...

Pre-mRNA-splicing factor 38 AlphaSync

Required for pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A3Q0KM52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 310 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	42.4	Very low	236 Å²	236	146.8 Å²	146.8	100%	1.163	85%	0.848	S	S	*	*				0	125.8	0	-73.6	-175.5	-170	0	0	107.5
2	V	38.6	Very low	42.6	Very low	139 Å²	139	141 Å²	141	84%	0.842	83%	0.831	S	S	*	*			trans	68.3	137.7	165.4	-164.7	0	0	0	0	117.9
3	S	44.1	Very low	42.8	Very low	121 Å²	121	135.3 Å²	135.3	85%	0.846	82%	0.82	S	S	*	*			trans	83.3	126.8	167.1	75.8	0	0	0	0	116.3
4	G	41.5	Very low	43.1	Very low	72 Å²	72	134.4 Å²	134.4	74%	0.742	82%	0.815	S	S	*	*			cis	178.2	122	-1.3	0	0	0	0	0	106.9
5	L	50.8	Low	43.4	Very low	172 Å²	172	133.3 Å²	133.3	90%	0.901	80%	0.802	S	S	*	*			trans	-78.1	126.8	172.5	-82.9	159.7	0	0	0	108.4	Q7	L5-Q7 PolarHBondContact O-N 3.26Å
6	P	49.1	Very low	44.1	Very low	109 Å²	109	130.7 Å²	130.7	71%	0.708	78%	0.779	S	S	*	*			trans	-72.5	122.1	175.9	28.1	-29.4	0	0	0	109.4	M8	P6-M8 PolarHBondContact O-N 3.31Å
7	Q	39.1	Very low	44.6	Very low	193 Å²	193	131.2 Å²	131.2	90%	0.902	78%	0.777	S	S	*	*			trans	-58.8	106	163.5	-80.9	175.9	0.4	0	0	108.4	L5 G9	L5-Q7 PolarHBondContact O-N 3.26Å; Q7-G9 VanDerWaalsContact C-N 3.28Å; Q7-G9 PolarHBondContact O-N 3.01Å
8	M	45.1	Very low	44.9	Very low	184 Å²	184	132.1 Å²	132.1	91%	0.906	77%	0.772	S	S	*	*			trans	-74.5	89.9	165	-75.9	-70.6	-76.3	0	0	107.7	P6	P6-M8 PolarHBondContact O-N 3.31Å
9	G	37.1	Very low	45.7	Very low	56 Å²	56	132.4 Å²	132.4	58%	0.577	77%	0.765	S	S	*	*			trans	-63.9	142.3	-180	0	0	0	0	0	113.1	Q7 L11	Q7-G9 VanDerWaalsContact C-N 3.28Å; Q7-G9 PolarHBondContact O-N 3.01Å; G9-L11 PolarHBondContact O-N 3.07Å
10	L	39.6	Very low	46.6	Very low	176 Å²	176	127.1 Å²	127.1	92%	0.921	74%	0.738	S	S	*	*			trans	-49.1	101	162	-83.1	75	0	0	0	110.6
11	L	41.8	Very low	47.4	Very low	157 Å²	157	122.4 Å²	122.4	82%	0.822	71%	0.712	S	S	*	*			trans	-135.6	33.4	170.7	-70.1	178.3	0	0	0	111.8	G9	G9-L11 PolarHBondContact O-N 3.07Å
12	A	45.3	Very low	48.6	Very low	77 Å²	77	121.6 Å²	121.6	64%	0.636	70%	0.695	S	S	*	*	S	Bend	trans	-100.7	10.2	-176.4	0	0	0	0	0	114.5
13	G	45.6	Very low	50.4	Low	67 Å²	67	117.4 Å²	117.4	69%	0.691	68%	0.68	S	S	*	*	S	Bend	trans	-126.8	4	-165.3	0	0	0	0	0	118.1
14	V	46.1	Very low	52.4	Low	123 Å²	123	115.3 Å²	115.3	75%	0.745	66%	0.66	S	S	*	*	S	Bend	trans	-113.5	-18.4	-166.3	-159.7	0	0	0	0	114.7
15	D	48.8	Very low	54.5	Low	117 Å²	117	118.9 Å²	118.9	63%	0.626	66%	0.66	S	S	*	*	S	Bend	trans	-109.5	-5.2	-174.1	-62.5	-51.3	0	0	0	115.4
16	E	53.2	Low	56.3	Low	92 Å²	92	111.5 Å²	111.5	43%	0.43	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-28.2	-172.5	-66.8	-162.7	131.9	0	0	113.4
17	D	52.9	Low	58.2	Low	139 Å²	139	113.4 Å²	113.4	74%	0.743	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-24.8	-179.3	-78.8	-40.5	0	0	0	113.5	Q19 A20	D17-Q19 VanDerWaalsContact C-N 3.26Å; D17-Q19 PolarHBondContact O-N 3.34Å; D17-A20 WeakPolarHBondContact O-CB 3.45Å; D17-A20 PolarHBondContact O-N 2.9Å
18	E	51.1	Low	60.6	Low	147 Å²	147	107.8 Å²	107.8	69%	0.687	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-22.3	-174.9	-157.7	174.7	164.8	0	0	112.7
19	Q	58.5	Low	62.8	Low	139 Å²	139	103.3 Å²	103.3	65%	0.65	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	4	177.1	-86.6	161.3	27.2	0	0	114.4	D17	D17-Q19 VanDerWaalsContact C-N 3.26Å; D17-Q19 PolarHBondContact O-N 3.34Å
20	A	64.7	Low	65.2	Low	26 Å²	26	103 Å²	103	22%	0.215	56%	0.564	C	S	.	*	S	Bend	trans	-59.8	130.4	175.4	0	0	0	0	0	109.7	D17 R22 W155	D17-A20 WeakPolarHBondContact O-CB 3.45Å; D17-A20 PolarHBondContact O-N 2.9Å; A20-R22 PolarHBondContact O-N 3.07Å; A20-W155 HydrophobicContact CB-CZ2 4.23Å
21	P	63.8	Low	67.7	Low	29 Å²	29	97.7 Å²	97.7	19%	0.188	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-51.9	145.4	173.1	-26.6	35.5	0	0	0	108.7	R121 D152	P21-R121 VanDerWaalsContact CB-NH2 3.34Å; P21-R121 PolarHBondContact O-NH1 3.09Å; P21-R121 PolarHBondContact O-NH2 3.32Å; P21-D152 HydrophobicContact CG-CB 4.21Å; P21-D152 WeakPolarHBondContact CG-OD2 3.38Å
22	R	64.7	Low	69.9	Low	218 Å²	218	95.3 Å²	95.3	82%	0.823	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-103.8	135	-179.7	-62.2	-175.3	-175.3	-173.7	1.9	111.1	A20 R121	A20-R22 PolarHBondContact O-N 3.07Å; R22-R121 VanDerWaalsContact C-NH2 3.3Å
23	G	76.3	Confident	72.1	Confident	51 Å²	51	98 Å²	98	53%	0.526	53%	0.531	S	S	.	.	S	Bend	trans	97.2	158.3	175.8	0	0	0	0	0	116.6	I25 R121	G23-I25 PolarHBondContact O-N 3.34Å; G23-R121 PolarHBondContact O-NE 3.27Å; G23-R121 VanDerWaalsContact O-NE 3.07Å; G23-R121 PolarHBondContact O-NH2 2.62Å
24	N	84.6	Confident	74.3	Confident	77 Å²	77	96.1 Å²	96.1	41%	0.412	51%	0.505	S	S	.	.	S	Bend	trans	-75	-13	-177.7	-167.9	38.2	0	0	0	113.8	R121 K122	N24-R121 PolarHBondContact O-N 3.05Å; N24-K122 WeakPolarHBondContact OD1-CG 3.43Å
25	I	86.1	Confident	76.5	Confident	148 Å²	148	90.3 Å²	90.3	76%	0.759	47%	0.47	S	S	*	.	B	Isolated β-bridge	trans	-84.7	129.1	178.8	-59.1	171.4	0	0	0	108.4	G23	G23-I25 PolarHBondContact O-N 3.34Å
26	L	88.1	Confident	78.6	Confident	16 Å²	16	86.4 Å²	86.4	8%	0.084	45%	0.449	C	S	.	.			trans	-74.8	130.3	174.4	-69.4	176.1	0	0	0	110	L28 L119 R121 L124 Y143 I148 W156	L26-L28 PolarHBondContact O-N 2.7Å; L26-L119 HydrophobicContact CD1-CB 4.18Å; L26-L119 VanDerWaalsContact CD1-O 3.3Å; L26-L119 WeakPolarHBondContact CD1-O 3.35Å; L26-R121 HydrophobicContact CD2-CB 3.89Å; L26-R121 HydrophobicContact CD2-CG 4.09Å; L26-R121 HydrophobicContact CG-CB 4.43Å; L26-L124 HydrophobicContact CD1-CB 3.93Å; L26-L124 HydrophobicContact CD1-CD2 3.69Å; L26-L124 HydrophobicContact CD1-CG 4.46Å; L26-L124 HydrophobicContact CD2-CD2 4.04Å; L26-Y143 HydrophobicContact CD1-CE1 4.16Å; L26-I148 HydrophobicContact CB-CD1 4.22Å; L26-I148 HydrophobicContact CD1-CD1 4.43Å; L26-I148 HydrophobicContact CD2-CD1 4.24Å; L26-W156 HydrophobicContact CD2-CH2 4.38Å; L26-W156 HydrophobicContact CD2-CZ2 3.77Å
27	K	89.1	Confident	80.5	Confident	149 Å²	149	82.5 Å²	82.5	65%	0.648	43%	0.431	S	S	*	.			trans	-74.4	114	169	-178.4	177.7	173.3	-170.9	0	107.8	P149	K27-P149 HydrophobicContact CB-CG 4.41Å; K27-P149 HydrophobicContact CD-CG 3.9Å; K27-P149 HydrophobicContact CG-CG 3.94Å; K27-P149 WeakPolarHBondContact O-CD 3.5Å
28	L	90.8	Very high	82.3	Confident	75 Å²	75	79.7 Å²	79.7	39%	0.393	42%	0.416	S	S	.	.			trans	-87	144.9	175.6	-59.3	176.3	0	0	0	110.2	L26 F115 C147	L26-L28 PolarHBondContact O-N 2.7Å; L28-F115 HydrophobicContact CD1-CE2 4.1Å; L28-C147 CarbonylContact C-O 3.51Å; L28-C147 WeakPolarHBondContact CA-O 3.28Å; L28-C147 HydrophobicContact CD2-CB 4.01Å
29	W	89.9	Confident	84.1	Confident	90 Å²	90	77.7 Å²	77.7	34%	0.341	41%	0.414	S	S	.	.			trans	-123.1	141.5	-179.6	-179.6	80.3	0	0	0	110.9	N36 C147 P149 P150 P198	W29-N36 PolarHBondContact O-ND2 2.87Å; W29-C147 PolarHBondContact N-O 3.12Å; W29-P149 HydrophobicContact CB-CB 4.36Å; W29-P149 HydrophobicContact CB-CG 3.99Å; W29-P150 HydrophobicContact CE3-CG 4.48Å; W29-P150 HydrophobicContact CH2-CG 4.32Å; W29-P150 HydrophobicContact CZ2-CG 4.36Å; W29-P150 HydrophobicContact CZ3-CG 4.38Å; W29-P198 HydrophobicContact CH2-CB 4.45Å; W29-P198 HydrophobicContact CZ3-CB 3.91Å
30	G	89.2	Confident	85.5	Confident	50 Å²	50	74.7 Å²	74.7	52%	0.515	40%	0.401	S	S	.	.	S	Bend	trans	82.1	-143.5	179.8	0	0	0	0	0	113.7	P32 N36	G30-P32 WeakPolarHBondContact O-CD 3.24Å; G30-N36 VanDerWaalsContact CA-OD1 3.27Å; G30-N36 WeakPolarHBondContact CA-OD1 3.3Å
31	N	90.6	Very high	86.7	Confident	65 Å²	65	73.5 Å²	73.5	35%	0.348	39%	0.391	S	S	.	.			trans	-79.3	118.8	-169	-171.5	-42	0	0	0	112	Q33 T34 M35 N36	N31-Q33 PolarHBondContact O-N 3.44Å; N31-Q33 WeakPolarHBondContact OD1-CA 3.28Å; N31-Q33 WeakPolarHBondContact OD1-CB 3.08Å; N31-Q33 PolarHBondContact OD1-N 2.69Å; N31-T34 WeakPolarHBondContact CB-OG1 3.49Å; N31-T34 VanDerWaalsContact CG-OG1 3.23Å; N31-T34 PolarHBondContact ND2-OG1 3.33Å; N31-T34 PolarHBondContact OD1-N 2.76Å; N31-T34 VanDerWaalsContact OD1-N 3.12Å; N31-M35 PolarHBondContact O-N 3.2Å; N31-N36 PolarHBondContact N-OD1 3.45Å
32	P	89.1	Confident	88.1	Confident	106 Å²	106	74.7 Å²	74.7	69%	0.688	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.1	-176.6	31.1	-36.6	0	0	0	114.2	G30 F115	G30-P32 WeakPolarHBondContact O-CD 3.24Å; P32-F115 WeakPolarHBondContact O-CE1 3.44Å; P32-F115 VanDerWaalsContact O-CZ 3.28Å; P32-F115 WeakPolarHBondContact O-CZ 3.48Å
33	Q	90.9	Very high	89.4	Confident	135 Å²	135	66 Å²	66	63%	0.631	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-44.2	177.8	-63.9	-178.5	-41.6	0	0	111.7	N31 Y112	N31-Q33 PolarHBondContact O-N 3.44Å; N31-Q33 WeakPolarHBondContact OD1-CA 3.28Å; N31-Q33 WeakPolarHBondContact OD1-CB 3.08Å; N31-Q33 PolarHBondContact OD1-N 2.69Å; Q33-Y112 WeakPolarHBondContact O-CE2 3.16Å; Q33-Y112 PolarHBondContact O-OH 3.5Å
34	T	92.1	Very high	90.1	Very high	26 Å²	26	64.7 Å²	64.7	16%	0.16	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-1.5	-170.3	68.1	0	0	0	0	114.6	N31 N36 L37 Y42	N31-T34 WeakPolarHBondContact CB-OG1 3.49Å; N31-T34 VanDerWaalsContact CG-OG1 3.23Å; N31-T34 PolarHBondContact ND2-OG1 3.33Å; N31-T34 PolarHBondContact OD1-N 2.76Å; N31-T34 VanDerWaalsContact OD1-N 3.12Å; T34-N36 PolarHBondContact O-N 3.41Å; T34-N36 VanDerWaalsContact O-N 3.13Å; T34-L37 VanDerWaalsContact O-CB 3.3Å; T34-L37 WeakPolarHBondContact O-CB 3.31Å; T34-L37 WeakPolarHBondContact O-CG 3.33Å; T34-L37 PolarHBondContact O-N 2.71Å; T34-Y42 HydrophobicContact CG2-CD1 4.04Å; T34-Y42 HydrophobicContact CG2-CD2 4.11Å; T34-Y42 HydrophobicContact CG2-CE1 4.02Å; T34-Y42 HydrophobicContact CG2-CE2 4.07Å; T34-Y42 HydrophobicContact CG2-CG 4.08Å
35	M	92.6	Very high	90.5	Very high	1 Å²	1	61 Å²	61	1%	0.005	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	25.9	-176.9	-160.5	-163.7	75	0	0	113.2	N31 L37 L111 Y112 F115 Y146 C147	N31-M35 PolarHBondContact O-N 3.2Å; M35-L37 HydrophobicContact CB-CG 4.37Å; M35-L37 HydrophobicContact CE-CD1 3.99Å; M35-L37 HydrophobicContact CE-CD2 3.63Å; M35-L37 HydrophobicContact CE-CG 3.67Å; M35-L37 PolarHBondContact O-N 3.34Å; M35-L37 VanDerWaalsContact O-N 3.15Å; M35-L111 HydrophobicContact CE-CD1 4.45Å; M35-L111 HydrophobicContact CE-CD2 3.6Å; M35-L111 HydrophobicContact CE-CG 3.67Å; M35-L111 HydrophobicContact SD-CG 4.03Å; M35-Y112 HydrophobicContact CB-CD2 4.35Å; M35-F115 HydrophobicContact CB-CB 4.45Å; M35-F115 HydrophobicContact CB-CD1 3.85Å; M35-F115 HydrophobicContact CB-CD2 4.04Å; M35-F115 HydrophobicContact CB-CE1 4.01Å; M35-F115 HydrophobicContact CB-CE2 4.18Å; M35-F115 HydrophobicContact CB-CG 3.86Å; M35-F115 HydrophobicContact CB-CZ 4.17Å; M35-F115 HydrophobicContact CG-CB 3.96Å; M35-F115 HydrophobicContact CG-CD1 4.15Å; M35-F115 HydrophobicContact CG-CD2 3.53Å; M35-F115 HydrophobicContact CG-CE2 3.97Å; M35-F115 HydrophobicContact CG-CG 3.61Å; M35-F115 HydrophobicContact CG-CZ 4.46Å; M35-F115 HydrophobicContact SD-CB 3.63Å; M35-F115 HydrophobicContact SD-CD2 4.27Å; M35-F115 HydrophobicContact SD-CG 4Å; M35-Y146 HydrophobicContact CE-CD1 4.33Å; M35-Y146 HydrophobicContact CE-CD2 3.93Å; M35-Y146 HydrophobicContact CE-CG 3.75Å; M35-C147 WeakPolarHBondContact CG-SG 3.43Å
36	N	92.6	Very high	90.8	Very high	36 Å²	36	56.5 Å²	56.5	19%	0.193	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	20.3	-171.9	-52.1	-51.9	0	0	0	115	W29 G30 N31 T34 Y146 P198	W29-N36 PolarHBondContact O-ND2 2.87Å; G30-N36 VanDerWaalsContact CA-OD1 3.27Å; G30-N36 WeakPolarHBondContact CA-OD1 3.3Å; N31-N36 PolarHBondContact N-OD1 3.45Å; T34-N36 PolarHBondContact O-N 3.41Å; T34-N36 VanDerWaalsContact O-N 3.13Å; N36-Y146 PolarHBondContact ND2-O 3.02Å; N36-P198 HydrophobicContact CB-CB 4.38Å; N36-P198 HydrophobicContact CB-CG 3.59Å
37	L	93.1	Very high	91	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.052	32%	0.321	C	S	.	.			trans	-69.1	152.3	172.7	-68.4	172.7	0	0	0	111	T34 M35 T39 I45 Y108 Y112 Y146	T34-L37 VanDerWaalsContact O-CB 3.3Å; T34-L37 WeakPolarHBondContact O-CB 3.31Å; T34-L37 WeakPolarHBondContact O-CG 3.33Å; T34-L37 PolarHBondContact O-N 2.71Å; M35-L37 HydrophobicContact CB-CG 4.37Å; M35-L37 HydrophobicContact CE-CD1 3.99Å; M35-L37 HydrophobicContact CE-CD2 3.63Å; M35-L37 HydrophobicContact CE-CG 3.67Å; M35-L37 PolarHBondContact O-N 3.34Å; M35-L37 VanDerWaalsContact O-N 3.15Å; L37-T39 PolarHBondContact O-N 2.9Å; L37-I45 HydrophobicContact CD1-CD1 3.64Å; L37-Y108 HydrophobicContact CD2-CD1 3.9Å; L37-Y108 HydrophobicContact CD2-CE1 3.78Å; L37-Y112 HydrophobicContact CD1-CD2 4.23Å; L37-Y146 HydrophobicContact CD2-CD1 4.21Å; L37-Y146 HydrophobicContact CD2-CE1 3.85Å; L37-Y146 HydrophobicContact CD2-CE2 4.32Å
38	N	89.6	Confident	91.1	Very high	79 Å²	79	54 Å²	54	42%	0.422	30%	0.296	S	S	.	.			trans	-58.4	135.8	168.3	-177.4	-54.5	0	0	0	109.6	M40 I41 Y42	N38-M40 PolarHBondContact O-N 3.33Å; N38-M40 VanDerWaalsContact O-N 3.08Å; N38-M40 WeakPolarHBondContact OD1-CB 3.49Å; N38-M40 PolarHBondContact OD1-N 3.37Å; N38-I41 HydrophobicContact CB-CD1 3.85Å; N38-I41 HydrophobicContact CB-CG1 4.08Å; N38-I41 PolarHBondContact O-N 2.74Å; N38-Y42 PolarHBondContact O-N 2.93Å
39	T	89.4	Confident	91.1	Very high	106 Å²	106	55.2 Å²	55.2	65%	0.65	31%	0.308	S	S	*	.	H	α-helix	trans	-50	-37.8	-179.6	-49.2	0	0	0	0	113.1	L37 T43	L37-T39 PolarHBondContact O-N 2.9Å; T39-T43 VanDerWaalsContact O-CB 3.3Å; T39-T43 WeakPolarHBondContact O-CB 3.5Å; T39-T43 PolarHBondContact O-N 3.42Å; T39-T43 PolarHBondContact O-OG1 3.33Å
40	M	87.9	Confident	91.3	Very high	75 Å²	75	53.1 Å²	53.1	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-46.3	177.4	-170.7	-174.2	-67.5	0	0	111.5	N38 N44 W78	N38-M40 PolarHBondContact O-N 3.33Å; N38-M40 VanDerWaalsContact O-N 3.08Å; N38-M40 WeakPolarHBondContact OD1-CB 3.49Å; N38-M40 PolarHBondContact OD1-N 3.37Å; M40-N44 PolarHBondContact O-N 3.43Å; M40-N44 VanDerWaalsContact O-N 3.15Å; M40-N44 PolarHBondContact O-ND2 3.44Å; M40-W78 HydrophobicContact CG-CH2 3.97Å; M40-W78 HydrophobicContact CG-CZ2 4.19Å; M40-W78 HydrophobicContact SD-CH2 4.15Å; M40-W78 HydrophobicContact SD-CZ2 3.93Å
41	I	91.3	Very high	91.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-51	178.6	-57.9	169.2	0	0	0	109.2	N38 T43 N44 I45 P77 W78 V104 Y108 T195	N38-I41 HydrophobicContact CB-CD1 3.85Å; N38-I41 HydrophobicContact CB-CG1 4.08Å; N38-I41 PolarHBondContact O-N 2.74Å; I41-T43 VanDerWaalsContact C-N 3.33Å; I41-T43 PolarHBondContact O-N 3.15Å; I41-N44 PolarHBondContact O-N 3.35Å; I41-N44 VanDerWaalsContact O-N 3.12Å; I41-I45 HydrophobicContact CG2-CD1 3.85Å; I41-I45 HydrophobicContact CG2-CG1 4.3Å; I41-I45 WeakPolarHBondContact O-CG1 3.4Å; I41-I45 PolarHBondContact O-N 3.37Å; I41-P77 HydrophobicContact CD1-CB 4.09Å; I41-P77 HydrophobicContact CD1-CG 4.42Å; I41-P77 HydrophobicContact CG1-CB 4.42Å; I41-W78 HydrophobicContact CG1-CH2 4.45Å; I41-W78 HydrophobicContact CG1-CZ2 4.01Å; I41-V104 HydrophobicContact CG2-CG2 4.4Å; I41-Y108 HydrophobicContact CD1-CE1 4.19Å; I41-Y108 HydrophobicContact CG2-CD1 3.67Å; I41-Y108 HydrophobicContact CG2-CE1 4.3Å; I41-Y108 HydrophobicContact CG2-CG 4.4Å; I41-T195 HydrophobicContact CD1-CG2 3.66Å; I41-T195 HydrophobicContact CG1-CG2 4.36Å
42	Y	93.2	Very high	91.6	Very high	55 Å²	55	54.5 Å²	54.5	22%	0.216	29%	0.289	C	S	.	.	H	α-helix	trans	-55.3	-47.1	179.9	173.2	-101.9	0	0	0	112.2	T34 N38 N44 I45 V46 Y112	T34-Y42 HydrophobicContact CG2-CD1 4.04Å; T34-Y42 HydrophobicContact CG2-CD2 4.11Å; T34-Y42 HydrophobicContact CG2-CE1 4.02Å; T34-Y42 HydrophobicContact CG2-CE2 4.07Å; T34-Y42 HydrophobicContact CG2-CG 4.08Å; N38-Y42 PolarHBondContact O-N 2.93Å; Y42-N44 VanDerWaalsContact C-N 3.33Å; Y42-N44 PolarHBondContact O-N 3.49Å; Y42-I45 PolarHBondContact O-N 3.29Å; Y42-V46 HydrophobicContact CD2-CG2 4.19Å; Y42-V46 HydrophobicContact CE1-CG2 4.07Å; Y42-V46 HydrophobicContact CE2-CG2 3.72Å; Y42-V46 WeakPolarHBondContact O-CG2 3.45Å; Y42-V46 PolarHBondContact O-N 3.26Å; Y42-Y112 HydrophobicContact CD2-CE2 4.14Å; Y42-Y112 HydrophobicContact CE2-CE1 4.48Å; Y42-Y112 AromaticContact CE2-CE2 3.86Å; Y42-Y112 HydrophobicContact CE2-CE2 3.86Å; Y42-Y112 AromaticContact CE2-CZ 3.7Å; Y42-Y112 WeakPolarHBondContact CE2-OH 3.44Å
43	T	91.6	Very high	91.7	Very high	36 Å²	36	52 Å²	52	22%	0.221	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-41.1	179.2	-54.6	0	0	0	0	111.4	T39 I41 V46 Q47 V98	T39-T43 VanDerWaalsContact O-CB 3.3Å; T39-T43 WeakPolarHBondContact O-CB 3.5Å; T39-T43 PolarHBondContact O-N 3.42Å; T39-T43 PolarHBondContact O-OG1 3.33Å; I41-T43 VanDerWaalsContact C-N 3.33Å; I41-T43 PolarHBondContact O-N 3.15Å; T43-V46 PolarHBondContact O-N 3.34Å; T43-Q47 HydrophobicContact CG2-CG 4.45Å; T43-Q47 VanDerWaalsContact O-CB 3.31Å; T43-Q47 WeakPolarHBondContact O-CB 3.37Å; T43-Q47 VanDerWaalsContact O-CG 3.25Å; T43-Q47 WeakPolarHBondContact O-CG 3.46Å; T43-Q47 PolarHBondContact O-N 2.92Å; T43-V98 HydrophobicContact CG2-CG1 3.57Å
44	N	91.2	Very high	91.7	Very high	23 Å²	23	49.5 Å²	49.5	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-36.8	176.4	-80	-77.6	0	0	0	112.5	M40 I41 Y42 Q47 S48 W78 V104	M40-N44 PolarHBondContact O-N 3.43Å; M40-N44 VanDerWaalsContact O-N 3.15Å; M40-N44 PolarHBondContact O-ND2 3.44Å; I41-N44 PolarHBondContact O-N 3.35Å; I41-N44 VanDerWaalsContact O-N 3.12Å; Y42-N44 VanDerWaalsContact C-N 3.33Å; Y42-N44 PolarHBondContact O-N 3.49Å; N44-Q47 PolarHBondContact O-N 2.93Å; N44-S48 VanDerWaalsContact O-CB 3.32Å; N44-S48 WeakPolarHBondContact O-CB 3.33Å; N44-S48 PolarHBondContact O-N 3.25Å; N44-W78 HydrophobicContact CB-CH2 4.5Å; N44-W78 HydrophobicContact CB-CZ3 4.24Å; N44-V104 HydrophobicContact CB-CB 4.1Å; N44-V104 HydrophobicContact CB-CG1 4.24Å
45	I	93.3	Very high	91.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-53.6	173	-65.8	169.9	0	0	0	110.1	L37 I41 Y42 Q47 S48 F51 V104 Y108 Y112	L37-I45 HydrophobicContact CD1-CD1 3.64Å; I41-I45 HydrophobicContact CG2-CD1 3.85Å; I41-I45 HydrophobicContact CG2-CG1 4.3Å; I41-I45 WeakPolarHBondContact O-CG1 3.4Å; I41-I45 PolarHBondContact O-N 3.37Å; Y42-I45 PolarHBondContact O-N 3.29Å; I45-Q47 PolarHBondContact O-N 3.36Å; I45-S48 VanDerWaalsContact O-CB 3.26Å; I45-S48 WeakPolarHBondContact O-CB 3.31Å; I45-S48 PolarHBondContact O-N 3.36Å; I45-F51 HydrophobicContact CG2-CB 4.39Å; I45-F51 HydrophobicContact CG2-CD1 4.43Å; I45-F51 HydrophobicContact CG2-CD2 3.82Å; I45-F51 HydrophobicContact CG2-CE2 4.25Å; I45-F51 HydrophobicContact CG2-CG 3.95Å; I45-F51 VanDerWaalsContact O-CB 3.3Å; I45-F51 WeakPolarHBondContact O-CB 3.42Å; I45-V104 HydrophobicContact CD1-CG2 4.46Å; I45-V104 HydrophobicContact CG1-CB 4.49Å; I45-V104 HydrophobicContact CG1-CG1 4.36Å; I45-V104 HydrophobicContact CG1-CG2 3.67Å; I45-Y108 WeakPolarHBondContact CD1-O 3.42Å; I45-Y112 HydrophobicContact CG2-CD1 3.61Å; I45-Y112 HydrophobicContact CG2-CE1 4.44Å; I45-Y112 HydrophobicContact CG2-CG 4.06Å
46	V	92.2	Very high	91.6	Very high	52 Å²	52	52 Å²	52	32%	0.315	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-30.2	-177	174.9	0	0	0	0	111.4	Y42 T43 K52	Y42-V46 HydrophobicContact CD2-CG2 4.19Å; Y42-V46 HydrophobicContact CE1-CG2 4.07Å; Y42-V46 HydrophobicContact CE2-CG2 3.72Å; Y42-V46 WeakPolarHBondContact O-CG2 3.45Å; Y42-V46 PolarHBondContact O-N 3.26Å; T43-V46 PolarHBondContact O-N 3.34Å; V46-K52 WeakPolarHBondContact O-CE 3.5Å
47	Q	91.4	Very high	91.6	Very high	96 Å²	96	57.2 Å²	57.2	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-86.3	-14.2	176.5	-69.5	177.2	-4.2	0	0	113.9	T43 N44 I45	T43-Q47 HydrophobicContact CG2-CG 4.45Å; T43-Q47 VanDerWaalsContact O-CB 3.31Å; T43-Q47 WeakPolarHBondContact O-CB 3.37Å; T43-Q47 VanDerWaalsContact O-CG 3.25Å; T43-Q47 WeakPolarHBondContact O-CG 3.46Å; T43-Q47 PolarHBondContact O-N 2.92Å; N44-Q47 PolarHBondContact O-N 2.93Å; I45-Q47 PolarHBondContact O-N 3.36Å
48	S	91.3	Very high	91.6	Very high	16 Å²	16	58.3 Å²	58.3	11%	0.112	31%	0.313	C	S	.	.			trans	-62	127.6	-176.5	179	0	0	0	0	111.3	N44 I45 Y50 F51 K52	N44-S48 VanDerWaalsContact O-CB 3.32Å; N44-S48 WeakPolarHBondContact O-CB 3.33Å; N44-S48 PolarHBondContact O-N 3.25Å; I45-S48 VanDerWaalsContact O-CB 3.26Å; I45-S48 WeakPolarHBondContact O-CB 3.31Å; I45-S48 PolarHBondContact O-N 3.36Å; S48-Y50 PolarHBondContact O-N 3.01Å; S48-Y50 PolarHBondContact OG-N 3.48Å; S48-F51 PolarHBondContact O-N 3.43Å; S48-K52 PolarHBondContact O-N 2.86Å
49	P	91.8	Very high	91.7	Very high	102 Å²	102	62.6 Å²	62.6	66%	0.662	33%	0.328	S	S	*	.	H	α-helix	trans	-57.4	-39	171.7	-24.6	34.4	0	0	0	112	F51 K52 A53	P49-F51 VanDerWaalsContact C-N 3.33Å; P49-F51 PolarHBondContact O-N 2.89Å; P49-K52 PolarHBondContact O-N 3.27Å; P49-A53 VanDerWaalsContact O-CB 3.27Å; P49-A53 WeakPolarHBondContact O-CB 3.16Å; P49-A53 PolarHBondContact O-N 3.32Å
50	Y	93.9	Very high	91.9	Very high	45 Å²	45	60.5 Å²	60.5	18%	0.176	32%	0.315	C	S	.	.	I	π-helix	trans	-60.1	-43.9	177.9	177.1	-118.5	0	0	0	111.6	S48 N54 L55 E67 T106 C109	S48-Y50 PolarHBondContact O-N 3.01Å; S48-Y50 PolarHBondContact OG-N 3.48Å; Y50-N54 HydrophobicContact CD2-CB 3.92Å; Y50-N54 HydrophobicContact CE2-CB 4.11Å; Y50-N54 WeakPolarHBondContact O-CB 3.43Å; Y50-N54 PolarHBondContact O-N 3.25Å; Y50-N54 VanDerWaalsContact O-N 3.13Å; Y50-L55 HydrophobicContact CD1-CD1 3.95Å; Y50-L55 HydrophobicContact CD1-CG 4.18Å; Y50-L55 HydrophobicContact CE1-CD1 3.63Å; Y50-L55 HydrophobicContact CE1-CD2 4.01Å; Y50-L55 HydrophobicContact CE1-CG 3.89Å; Y50-L55 HydrophobicContact CE2-CD2 4.23Å; Y50-L55 HydrophobicContact CE2-CG 4.47Å; Y50-L55 PolarHBondContact O-N 3.27Å; Y50-E67 WeakPolarHBondContact OH-CG 3.41Å; Y50-E67 PolarHBondContact OH-OE1 2.98Å; Y50-T106 HydrophobicContact CE1-CG2 4.1Å; Y50-C109 HydrophobicContact CD1-CB 3.94Å; Y50-C109 HydrophobicContact CE1-CB 4.11Å
51	F	93.1	Very high	92.2	Very high	21 Å²	21	58.1 Å²	58.1	9%	0.092	30%	0.302	C	S	.	.	I	π-helix	trans	-65.8	-48.6	176.7	-173.4	-97.6	0	0	0	111.4	I45 S48 P49 L55 V56 Y112 K113 T116	I45-F51 HydrophobicContact CG2-CB 4.39Å; I45-F51 HydrophobicContact CG2-CD1 4.43Å; I45-F51 HydrophobicContact CG2-CD2 3.82Å; I45-F51 HydrophobicContact CG2-CE2 4.25Å; I45-F51 HydrophobicContact CG2-CG 3.95Å; I45-F51 VanDerWaalsContact O-CB 3.3Å; I45-F51 WeakPolarHBondContact O-CB 3.42Å; S48-F51 PolarHBondContact O-N 3.43Å; P49-F51 VanDerWaalsContact C-N 3.33Å; P49-F51 PolarHBondContact O-N 2.89Å; F51-L55 HydrophobicContact CD2-CB 4.22Å; F51-L55 HydrophobicContact CD2-CD1 3.95Å; F51-L55 PolarHBondContact O-N 3.42Å; F51-V56 WeakPolarHBondContact O-CG2 3.44Å; F51-V56 PolarHBondContact O-N 3.18Å; F51-V56 VanDerWaalsContact O-N 3.08Å; F51-Y112 HydrophobicContact CD2-CD1 4.36Å; F51-Y112 HydrophobicContact CE1-CD1 4.18Å; F51-Y112 HydrophobicContact CE1-CE1 4.06Å; F51-Y112 AromaticContact CE2-CD1 3.53Å; F51-Y112 HydrophobicContact CE2-CD1 3.53Å; F51-Y112 HydrophobicContact CE2-CE1 4.18Å; F51-Y112 AromaticContact CZ-CD1 3.42Å; F51-Y112 HydrophobicContact CZ-CD1 3.42Å; F51-Y112 VanDerWaalsContact CZ-CD1 3.42Å; F51-Y112 AromaticContact CZ-CE1 3.57Å; F51-Y112 HydrophobicContact CZ-CE1 3.57Å; F51-K113 HydrophobicContact CE2-CB 4.13Å; F51-T116 HydrophobicContact CZ-CG2 4.49Å
52	K	92.6	Very high	92.4	Very high	123 Å²	123	64.1 Å²	64.1	54%	0.535	33%	0.33	S	S	.	.	I	π-helix	trans	-71.1	-38.7	-174.2	-69.4	-172.6	-173.4	-177.5	0	114.8	V46 S48 P49 V56	V46-K52 WeakPolarHBondContact O-CE 3.5Å; S48-K52 PolarHBondContact O-N 2.86Å; P49-K52 PolarHBondContact O-N 3.27Å; K52-V56 WeakPolarHBondContact O-CB 3.38Å
53	A	90.8	Very high	92.6	Very high	54 Å²	54	65.2 Å²	65.2	45%	0.446	34%	0.337	S	S	.	.	I	π-helix	trans	-94	-45.6	-173.5	0	0	0	0	0	111.6	P49 E57	P49-A53 VanDerWaalsContact O-CB 3.27Å; P49-A53 WeakPolarHBondContact O-CB 3.16Å; P49-A53 PolarHBondContact O-N 3.32Å; A53-E57 WeakPolarHBondContact O-CG 3.47Å
54	N	90.9	Very high	92.8	Very high	83 Å²	83	63.5 Å²	63.5	44%	0.444	33%	0.326	S	S	.	.	I	π-helix	trans	-92.5	-55.7	-174.1	-56.2	76.6	0	0	0	111.3	Y50 V56 E57	Y50-N54 HydrophobicContact CD2-CB 3.92Å; Y50-N54 HydrophobicContact CE2-CB 4.11Å; Y50-N54 WeakPolarHBondContact O-CB 3.43Å; Y50-N54 PolarHBondContact O-N 3.25Å; Y50-N54 VanDerWaalsContact O-N 3.13Å; N54-V56 PolarHBondContact O-N 2.93Å; N54-E57 PolarHBondContact O-N 2.94Å
55	L	92	Very high	93	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.322	C	S	.	.	I	π-helix	trans	-73.9	-26	-170.5	-59.5	-173.8	0	0	0	113.5	Y50 F51 E57 L58 E67 C109 L110 K113	Y50-L55 HydrophobicContact CD1-CD1 3.95Å; Y50-L55 HydrophobicContact CD1-CG 4.18Å; Y50-L55 HydrophobicContact CE1-CD1 3.63Å; Y50-L55 HydrophobicContact CE1-CD2 4.01Å; Y50-L55 HydrophobicContact CE1-CG 3.89Å; Y50-L55 HydrophobicContact CE2-CD2 4.23Å; Y50-L55 HydrophobicContact CE2-CG 4.47Å; Y50-L55 PolarHBondContact O-N 3.27Å; F51-L55 HydrophobicContact CD2-CB 4.22Å; F51-L55 HydrophobicContact CD2-CD1 3.95Å; F51-L55 PolarHBondContact O-N 3.42Å; L55-E57 PolarHBondContact O-N 3.15Å; L55-L58 HydrophobicContact CD2-CD1 3.85Å; L55-L58 PolarHBondContact O-N 3.36Å; L55-E67 HydrophobicContact CD2-CG 3.92Å; L55-C109 HydrophobicContact CD1-CB 3.67Å; L55-L110 HydrophobicContact CD1-CD2 4.01Å; L55-L110 HydrophobicContact CD1-CG 4.12Å; L55-L110 HydrophobicContact CD2-CD2 3.52Å; L55-L110 HydrophobicContact CD2-CG 4.31Å; L55-L110 HydrophobicContact CG-CD2 4.43Å; L55-K113 HydrophobicContact CB-CD 4.33Å; L55-K113 HydrophobicContact CB-CG 4.4Å; L55-K113 HydrophobicContact CD1-CB 4.39Å; L55-K113 VanDerWaalsContact O-CD 3.31Å; L55-K113 WeakPolarHBondContact O-CD 3.37Å; L55-K113 WeakPolarHBondContact O-CE 3.48Å; L55-K113 PolarHBondContact O-NZ 2.65Å
56	V	90.2	Very high	93.2	Very high	79 Å²	79	66.9 Å²	66.9	48%	0.479	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-34	175.1	166.3	0	0	0	0	111.5	F51 K52 N54 K113	F51-V56 WeakPolarHBondContact O-CG2 3.44Å; F51-V56 PolarHBondContact O-N 3.18Å; F51-V56 VanDerWaalsContact O-N 3.08Å; K52-V56 WeakPolarHBondContact O-CB 3.38Å; N54-V56 PolarHBondContact O-N 2.93Å; V56-K113 PolarHBondContact O-NZ 2.91Å
57	E	92	Very high	93.4	Very high	145 Å²	145	66.1 Å²	66.1	68%	0.678	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.8	-178.1	-63.3	-176.3	166.7	0	0	113	A53 N54 L55 K59	A53-E57 WeakPolarHBondContact O-CG 3.47Å; N54-E57 PolarHBondContact O-N 2.94Å; L55-E57 PolarHBondContact O-N 3.15Å; E57-K59 PolarHBondContact O-N 3.21Å
58	L	93.3	Very high	93.7	Very high	33 Å²	33	61.5 Å²	61.5	17%	0.173	32%	0.316	C	S	.	.			trans	-69	114.1	176.9	-50	-177.3	0	0	0	109.7	L55 E63 V64 E67 K113	L55-L58 HydrophobicContact CD2-CD1 3.85Å; L55-L58 PolarHBondContact O-N 3.36Å; L58-E63 HydrophobicContact CB-CB 4.12Å; L58-E63 HydrophobicContact CD2-CB 4.15Å; L58-V64 HydrophobicContact CB-CG2 4.02Å; L58-V64 HydrophobicContact CD1-CG2 4.31Å; L58-E67 HydrophobicContact CD1-CB 3.83Å; L58-E67 HydrophobicContact CD1-CG 4.06Å; L58-K113 WeakPolarHBondContact O-CE 3.41Å; L58-K113 PolarHBondContact O-NZ 3.35Å
59	K	92.3	Very high	93.9	Very high	169 Å²	169	66.2 Å²	66.2	74%	0.735	33%	0.332	S	S	*	.			trans	-104.9	-22.3	-174.8	-69.9	177.1	-171.3	174.4	0	112.6	E57 E63 L117	E57-K59 PolarHBondContact O-N 3.21Å; K59-E63 PolarHBondContact N-OE2 3.36Å; K59-L117 WeakPolarHBondContact O-CD2 3.38Å
60	T	94.4	Very high	94.2	Very high	63 Å²	63	69.2 Å²	69.2	39%	0.387	33%	0.331	S	S	.	.	S	Bend	trans	-103	154.7	-174.6	72.3	0	0	0	0	111.4	H62 E63 V64	T60-H62 VanDerWaalsContact C-N 3.28Å; T60-H62 PolarHBondContact O-N 3.31Å; T60-E63 PolarHBondContact N-OE2 2.76Å; T60-E63 WeakPolarHBondContact OG1-CB 3.4Å; T60-E63 WeakPolarHBondContact OG1-CG 3.32Å; T60-E63 PolarHBondContact OG1-N 3.34Å; T60-E63 PolarHBondContact OG1-OE2 3.31Å; T60-V64 PolarHBondContact O-N 3.45Å
61	Y	93.9	Very high	94.2	Very high	25 Å²	25	72 Å²	72	10%	0.098	34%	0.344	C	S	.	.	H	α-helix	trans	-59.1	-40.4	173.6	165	-106	0	0	0	112.1	V64 I65 L119 Q123 L127	Y61-V64 PolarHBondContact O-N 3.05Å; Y61-I65 HydrophobicContact CD1-CD1 3.7Å; Y61-I65 HydrophobicContact CD2-CD1 4.21Å; Y61-I65 HydrophobicContact CE1-CD1 3.18Å; Y61-I65 HydrophobicContact CE1-CG1 4.37Å; Y61-I65 HydrophobicContact CE2-CD1 3.75Å; Y61-I65 HydrophobicContact CE2-CG1 4.16Å; Y61-I65 HydrophobicContact CG-CD1 4.2Å; Y61-I65 WeakPolarHBondContact O-CG1 3.41Å; Y61-I65 PolarHBondContact O-N 3.27Å; Y61-I65 VanDerWaalsContact O-N 3.1Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.12Å; Y61-L119 HydrophobicContact CD2-CD2 3.78Å; Y61-L119 HydrophobicContact CE2-CD2 4.27Å; Y61-Q123 HydrophobicContact CD1-CG 4.06Å; Y61-Q123 HydrophobicContact CD2-CB 4Å; Y61-Q123 HydrophobicContact CD2-CG 4.09Å; Y61-Q123 HydrophobicContact CE1-CB 4.41Å; Y61-Q123 HydrophobicContact CE1-CG 4.19Å; Y61-Q123 HydrophobicContact CE2-CB 3.78Å; Y61-Q123 HydrophobicContact CE2-CG 4.23Å; Y61-Q123 HydrophobicContact CG-CB 4.4Å; Y61-Q123 HydrophobicContact CG-CG 3.99Å; Y61-Q123 PolarHBondContact OH-O 3.39Å; Y61-L127 HydrophobicContact CE2-CD1 4.13Å; Y61-L127 HydrophobicContact CE2-CD2 3.79Å; Y61-L127 HydrophobicContact CE2-CG 3.76Å; Y61-L127 WeakPolarHBondContact OH-CG 3.23Å; Y61-L127 PolarHBondContact OH-N 3.04Å
62	H	95.6	Very high	94.4	Very high	127 Å²	127	71.3 Å²	71.3	59%	0.588	34%	0.342	S	S	*	.	H	α-helix	trans	-68	-43.3	-178	-61.9	-67.3	0	0	0	112.3	T60 V64 I65 D66	T60-H62 VanDerWaalsContact C-N 3.28Å; T60-H62 PolarHBondContact O-N 3.31Å; H62-V64 PolarHBondContact O-N 3.22Å; H62-I65 WeakPolarHBondContact O-CB 3.37Å; H62-I65 PolarHBondContact O-N 3.31Å; H62-D66 PolarHBondContact O-N 2.83Å
63	E	96.1	Very high	94.4	Very high	77 Å²	77	72.6 Å²	72.6	36%	0.36	35%	0.35	S	S	.	.	H	α-helix	trans	-57.2	-38.6	174.6	-75.8	164	163.6	0	0	112.5	L58 K59 T60 D66 E67	L58-E63 HydrophobicContact CB-CB 4.12Å; L58-E63 HydrophobicContact CD2-CB 4.15Å; K59-E63 PolarHBondContact N-OE2 3.36Å; T60-E63 PolarHBondContact N-OE2 2.76Å; T60-E63 WeakPolarHBondContact OG1-CB 3.4Å; T60-E63 WeakPolarHBondContact OG1-CG 3.32Å; T60-E63 PolarHBondContact OG1-N 3.34Å; T60-E63 PolarHBondContact OG1-OE2 3.31Å; E63-D66 PolarHBondContact O-N 3.27Å; E63-E67 PolarHBondContact O-N 2.5Å; E63-E67 VanDerWaalsContact O-N 3.08Å
64	V	96.3	Very high	94.6	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-71.6	-35.4	177.6	179.4	0	0	0	0	111.4	L58 T60 Y61 H62 E67 I68 L110 K113 L114 L117	L58-V64 HydrophobicContact CB-CG2 4.02Å; L58-V64 HydrophobicContact CD1-CG2 4.31Å; T60-V64 PolarHBondContact O-N 3.45Å; Y61-V64 PolarHBondContact O-N 3.05Å; H62-V64 PolarHBondContact O-N 3.22Å; V64-E67 PolarHBondContact O-N 2.99Å; V64-I68 HydrophobicContact CG1-CD1 4.13Å; V64-I68 WeakPolarHBondContact O-CD1 3.44Å; V64-I68 WeakPolarHBondContact O-CG1 3.4Å; V64-I68 PolarHBondContact O-N 2.84Å; V64-L110 HydrophobicContact CG1-CD2 3.99Å; V64-K113 HydrophobicContact CG1-CG 4.27Å; V64-K113 HydrophobicContact CG2-CG 3.79Å; V64-L114 HydrophobicContact CB-CD2 4.26Å; V64-L114 HydrophobicContact CG1-CD2 3.59Å; V64-L114 HydrophobicContact CG1-CG 3.89Å; V64-L117 HydrophobicContact CG2-CD1 3.7Å
65	I	96.6	Very high	94.8	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-46	173.4	-69.5	164.2	0	0	0	110.8	Y61 H62 E67 I68 Y69 L127 I136	Y61-I65 HydrophobicContact CD1-CD1 3.7Å; Y61-I65 HydrophobicContact CD2-CD1 4.21Å; Y61-I65 HydrophobicContact CE1-CD1 3.18Å; Y61-I65 HydrophobicContact CE1-CG1 4.37Å; Y61-I65 HydrophobicContact CE2-CD1 3.75Å; Y61-I65 HydrophobicContact CE2-CG1 4.16Å; Y61-I65 HydrophobicContact CG-CD1 4.2Å; Y61-I65 WeakPolarHBondContact O-CG1 3.41Å; Y61-I65 PolarHBondContact O-N 3.27Å; Y61-I65 VanDerWaalsContact O-N 3.1Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.12Å; H62-I65 WeakPolarHBondContact O-CB 3.37Å; H62-I65 PolarHBondContact O-N 3.31Å; I65-E67 VanDerWaalsContact C-N 3.3Å; I65-E67 PolarHBondContact O-N 3.21Å; I65-I68 WeakPolarHBondContact O-CA 3.32Å; I65-I68 WeakPolarHBondContact O-CB 3.38Å; I65-I68 PolarHBondContact O-N 3.45Å; I65-I68 VanDerWaalsContact O-N 3.09Å; I65-Y69 PolarHBondContact O-N 3.17Å; I65-L127 HydrophobicContact CD1-CD2 4.24Å; I65-L127 HydrophobicContact CG1-CD2 3.8Å; I65-I136 HydrophobicContact CG2-CD1 3.8Å; I65-I136 HydrophobicContact CG2-CG1 4.36Å; I65-I136 HydrophobicContact CG2-CG2 4.29Å
66	D	96.4	Very high	94.8	Very high	87 Å²	87	67.5 Å²	67.5	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-45.3	179	-65.8	-19.2	0	0	0	110.2	H62 E63 I68 Y69 Y70	H62-D66 PolarHBondContact O-N 2.83Å; E63-D66 PolarHBondContact O-N 3.27Å; D66-I68 VanDerWaalsContact C-N 3.28Å; D66-I68 PolarHBondContact O-N 3.31Å; D66-Y69 WeakPolarHBondContact O-CB 3.18Å; D66-Y69 PolarHBondContact O-N 3.03Å; D66-Y69 VanDerWaalsContact O-N 3.13Å; D66-Y70 HydrophobicContact CB-CD2 4.44Å; D66-Y70 HydrophobicContact CB-CE2 4.28Å; D66-Y70 WeakPolarHBondContact O-CD2 3.33Å; D66-Y70 PolarHBondContact O-N 3.37Å
67	E	96.5	Very high	94.8	Very high	35 Å²	35	63.8 Å²	63.8	16%	0.164	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-36.5	176.4	-166.8	69.6	179.7	0	0	112	Y50 L55 L58 E63 V64 I65 Y70 K71 L110	Y50-E67 WeakPolarHBondContact OH-CG 3.41Å; Y50-E67 PolarHBondContact OH-OE1 2.98Å; L55-E67 HydrophobicContact CD2-CG 3.92Å; L58-E67 HydrophobicContact CD1-CB 3.83Å; L58-E67 HydrophobicContact CD1-CG 4.06Å; E63-E67 PolarHBondContact O-N 2.5Å; E63-E67 VanDerWaalsContact O-N 3.08Å; V64-E67 PolarHBondContact O-N 2.99Å; I65-E67 VanDerWaalsContact C-N 3.3Å; I65-E67 PolarHBondContact O-N 3.21Å; E67-Y70 PolarHBondContact O-N 3.46Å; E67-K71 HydrophobicContact CG-CG 4.1Å; E67-K71 VanDerWaalsContact O-CB 3.24Å; E67-K71 WeakPolarHBondContact O-CB 3.37Å; E67-K71 WeakPolarHBondContact O-CG 3.45Å; E67-K71 PolarHBondContact O-N 3.08Å; E67-K71 WeakPolarHBondContact OE1-CG 3.43Å; E67-L110 HydrophobicContact CB-CD2 4.02Å; E67-L110 HydrophobicContact CG-CD1 4.37Å; E67-L110 HydrophobicContact CG-CD2 3.85Å
68	I	97.1	Very high	94.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-48.4	172.7	-68	161.7	0	0	0	110.7	V64 I65 D66 Y70 V72 L110 L114 I136 L139	V64-I68 HydrophobicContact CG1-CD1 4.13Å; V64-I68 WeakPolarHBondContact O-CD1 3.44Å; V64-I68 WeakPolarHBondContact O-CG1 3.4Å; V64-I68 PolarHBondContact O-N 2.84Å; I65-I68 WeakPolarHBondContact O-CA 3.32Å; I65-I68 WeakPolarHBondContact O-CB 3.38Å; I65-I68 PolarHBondContact O-N 3.45Å; I65-I68 VanDerWaalsContact O-N 3.09Å; D66-I68 VanDerWaalsContact C-N 3.28Å; D66-I68 PolarHBondContact O-N 3.31Å; I68-Y70 VanDerWaalsContact C-N 3.28Å; I68-Y70 PolarHBondContact O-N 3.13Å; I68-V72 HydrophobicContact CB-CG2 4.33Å; I68-V72 HydrophobicContact CG1-CG2 4.49Å; I68-V72 HydrophobicContact CG2-CB 4.21Å; I68-V72 HydrophobicContact CG2-CG2 3.98Å; I68-V72 WeakPolarHBondContact O-CB 3.14Å; I68-V72 PolarHBondContact O-N 2.85Å; I68-V72 VanDerWaalsContact O-N 3.1Å; I68-L110 HydrophobicContact CB-CD1 4.45Å; I68-L110 HydrophobicContact CG1-CB 3.98Å; I68-L110 HydrophobicContact CG1-CD1 3.78Å; I68-L110 HydrophobicContact CG1-CD2 4.22Å; I68-L110 HydrophobicContact CG1-CG 4.21Å; I68-L114 HydrophobicContact CD1-CD1 3.96Å; I68-L114 HydrophobicContact CD1-CG 4.47Å; I68-I136 HydrophobicContact CB-CG1 4.25Å; I68-I136 HydrophobicContact CG2-CB 4.31Å; I68-I136 HydrophobicContact CG2-CG1 3.61Å; I68-L139 HydrophobicContact CB-CD1 4.38Å; I68-L139 HydrophobicContact CD1-CD1 3.73Å; I68-L139 HydrophobicContact CG1-CD1 3.68Å; I68-L139 HydrophobicContact CG2-CD1 3.75Å
69	Y	97.1	Very high	94.6	Very high	115 Å²	115	58.4 Å²	58.4	45%	0.451	27%	0.265	S	S	.	.	H	α-helix	trans	-57.1	-42.3	179.9	-180	-97.3	0	0	0	112	I65 D66 D132 I136	I65-Y69 PolarHBondContact O-N 3.17Å; D66-Y69 WeakPolarHBondContact O-CB 3.18Å; D66-Y69 PolarHBondContact O-N 3.03Å; D66-Y69 VanDerWaalsContact O-N 3.13Å; Y69-D132 HydrophobicContact CD2-CB 4.17Å; Y69-D132 HydrophobicContact CE2-CB 4.01Å; Y69-I136 HydrophobicContact CD2-CD1 4.35Å
70	Y	96.3	Very high	94.2	Very high	164 Å²	164	59.5 Å²	59.5	64%	0.643	27%	0.265	S	S	*	.	H	α-helix	trans	-86.1	-25.2	-175.5	-67.9	-60.7	0	0	0	115.2	D66 E67 I68	D66-Y70 HydrophobicContact CB-CD2 4.44Å; D66-Y70 HydrophobicContact CB-CE2 4.28Å; D66-Y70 WeakPolarHBondContact O-CD2 3.33Å; D66-Y70 PolarHBondContact O-N 3.37Å; E67-Y70 PolarHBondContact O-N 3.46Å; I68-Y70 VanDerWaalsContact C-N 3.28Å; I68-Y70 PolarHBondContact O-N 3.13Å
71	K	95.5	Very high	93.4	Very high	103 Å²	103	60.3 Å²	60.3	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-118.1	-13.6	-168.6	-57.5	-61.2	-173.2	-177.5	0	115.7	E67 T106	E67-K71 HydrophobicContact CG-CG 4.1Å; E67-K71 VanDerWaalsContact O-CB 3.24Å; E67-K71 WeakPolarHBondContact O-CB 3.37Å; E67-K71 WeakPolarHBondContact O-CG 3.45Å; E67-K71 PolarHBondContact O-N 3.08Å; E67-K71 WeakPolarHBondContact OE1-CG 3.43Å; K71-T106 PolarHBondContact O-OG1 3.42Å
72	V	95.8	Very high	92.5	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.048	29%	0.289	C	S	.	.			trans	-95.7	117.4	-175.8	179.3	0	0	0	0	110.2	I68 L75 A107 L110 Y135 L139	I68-V72 HydrophobicContact CB-CG2 4.33Å; I68-V72 HydrophobicContact CG1-CG2 4.49Å; I68-V72 HydrophobicContact CG2-CB 4.21Å; I68-V72 HydrophobicContact CG2-CG2 3.98Å; I68-V72 WeakPolarHBondContact O-CB 3.14Å; I68-V72 PolarHBondContact O-N 2.85Å; I68-V72 VanDerWaalsContact O-N 3.1Å; V72-L75 HydrophobicContact CG1-CD2 4.5Å; V72-A107 HydrophobicContact CG1-CB 3.98Å; V72-A107 HydrophobicContact CG2-CB 4.48Å; V72-L110 HydrophobicContact CG2-CD1 3.51Å; V72-Y135 HydrophobicContact CG1-CD1 3.8Å; V72-Y135 HydrophobicContact CG1-CG 3.98Å; V72-L139 HydrophobicContact CG2-CD1 4.25Å
73	E	93.6	Very high	91.3	Very high	150 Å²	150	57.7 Å²	57.7	70%	0.701	27%	0.274	S	S	*	.			trans	-116	-12.4	179.9	-60.6	-178.9	175.2	0	0	112.9	Y135	E73-Y135 WeakPolarHBondContact O-CE1 3.39Å; E73-Y135 VanDerWaalsContact O-CZ 3.28Å; E73-Y135 PolarHBondContact O-OH 3.13Å
74	H	94.3	Very high	89.5	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.037	30%	0.297	C	S	.	.			trans	-157.3	172	-178.7	66	83	0	0	0	111.5	E76 W78 E79 S105 A107	H74-E76 PolarHBondContact ND1-N 3.04Å; H74-E76 PolarHBondContact ND1-O 2.98Å; H74-W78 PolarHBondContact CE1-O 3.35Å; H74-E79 IonicContact NE2-OE1 2.77Å; H74-E79 IonicContact NE2-OE2 2.65Å; H74-S105 VanDerWaalsContact CE1-CB 3.45Å; H74-S105 WeakPolarHBondContact CE1-CB 3.48Å; H74-A107 VanDerWaalsContact O-CB 3.29Å; H74-A107 WeakPolarHBondContact O-CB 3.12Å
75	L	95.2	Very high	87.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	33%	0.328	C	S	.	.			trans	-119.8	7.4	-176.7	-61.8	179.5	0	0	0	114	V72 A107 Y135 A138 L139 M142 L167 V169 M182 W192	V72-L75 HydrophobicContact CG1-CD2 4.5Å; L75-A107 HydrophobicContact CD2-CB 4.48Å; L75-Y135 HydrophobicContact CD2-CD1 4.16Å; L75-Y135 HydrophobicContact CG-CD1 4.26Å; L75-A138 HydrophobicContact CD1-CB 3.41Å; L75-A138 VanDerWaalsContact CD1-CB 3.41Å; L75-A138 HydrophobicContact CD2-CB 4.2Å; L75-A138 HydrophobicContact CG-CB 4.42Å; L75-L139 HydrophobicContact CD2-CD2 4.16Å; L75-L139 HydrophobicContact CD2-CG 4.39Å; L75-M142 HydrophobicContact CB-CE 4.16Å; L75-L167 HydrophobicContact CD1-CD1 3.55Å; L75-L167 HydrophobicContact CG-CD1 4.45Å; L75-V169 HydrophobicContact CB-CB 4.36Å; L75-V169 HydrophobicContact CD1-CG1 4.08Å; L75-V169 PolarHBondContact N-O 3.26Å; L75-M182 HydrophobicContact CD1-SD 3.73Å; L75-W192 HydrophobicContact CB-CZ2 4.03Å; L75-W192 PolarHBondContact O-NE1 2.96Å
76	E	92	Very high	85.6	Confident	22 Å²	22	72.8 Å²	72.8	10%	0.103	35%	0.352	C	S	.	.	S	Bend	trans	-68.5	150.1	169.8	-48.3	-162.8	171.1	0	0	111.5	H74 W78 S105 V169 K170 A171 F193	H74-E76 PolarHBondContact ND1-N 3.04Å; H74-E76 PolarHBondContact ND1-O 2.98Å; E76-W78 PolarHBondContact O-N 3.31Å; E76-S105 WeakPolarHBondContact O-CB 3.33Å; E76-S105 PolarHBondContact O-OG 3.27Å; E76-V169 WeakPolarHBondContact CG-O 3.37Å; E76-V169 PolarHBondContact N-O 2.81Å; E76-K170 WeakPolarHBondContact OE1-CA 3.49Å; E76-K170 WeakPolarHBondContact OE1-CB 3.32Å; E76-K170 WeakPolarHBondContact OE1-CG 3.37Å; E76-K170 IonicContact OE1-NZ 3.13Å; E76-K170 PolarHBondContact OE1-NZ 3.39Å; E76-K170 IonicContact OE2-NZ 3.75Å; E76-A171 HydrophobicContact CB-CB 4.5Å; E76-A171 HydrophobicContact CG-CB 4.34Å; E76-A171 PolarHBondContact OE1-N 3.18Å; E76-F193 HydrophobicContact CB-CB 4.04Å; E76-F193 HydrophobicContact CB-CD2 4.17Å; E76-F193 HydrophobicContact CB-CG 3.98Å; E76-F193 HydrophobicContact CG-CB 4.03Å; E76-F193 HydrophobicContact CG-CD1 3.59Å; E76-F193 HydrophobicContact CG-CD2 3.61Å; E76-F193 HydrophobicContact CG-CE1 3.87Å; E76-F193 HydrophobicContact CG-CE2 3.88Å; E76-F193 HydrophobicContact CG-CG 3.44Å; E76-F193 VanDerWaalsContact CG-CG 3.44Å; E76-F193 HydrophobicContact CG-CZ 4Å; E76-F193 WeakPolarHBondContact OE1-CD1 3.29Å; E76-F193 WeakPolarHBondContact OE1-CE1 3.27Å
77	P	91.3	Very high	83.4	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.366	C	S	.	.	S	Bend	trans	-65.6	-19.4	176.4	-17.6	27.6	0	0	0	115.5	I41 S105 Y108 T195	I41-P77 HydrophobicContact CD1-CB 4.09Å; I41-P77 HydrophobicContact CD1-CG 4.42Å; I41-P77 HydrophobicContact CG1-CB 4.42Å; P77-S105 PolarHBondContact O-N 3.06Å; P77-S105 PolarHBondContact O-OG 3.31Å; P77-Y108 VanDerWaalsContact CA-CD2 3.43Å; P77-Y108 HydrophobicContact CB-CD1 4.4Å; P77-Y108 HydrophobicContact CB-CD2 4.08Å; P77-Y108 HydrophobicContact CB-CE1 4.23Å; P77-Y108 HydrophobicContact CB-CE2 3.89Å; P77-Y108 HydrophobicContact CB-CG 4.3Å; P77-Y108 HydrophobicContact CG-CD2 4.4Å; P77-Y108 HydrophobicContact CG-CE1 4.26Å; P77-Y108 HydrophobicContact CG-CE2 3.71Å; P77-T195 HydrophobicContact CB-CG2 4.13Å; P77-T195 HydrophobicContact CG-CG2 3.6Å; P77-T195 WeakPolarHBondContact CG-OG1 3.39Å
78	W	90.6	Very high	81.1	Confident	10 Å²	10	79 Å²	79	4%	0.038	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-124.4	140.4	-169.8	-55.2	107.3	0	0	0	110.6	M40 I41 N44 H74 E76 G101 G102 V104	M40-W78 HydrophobicContact CG-CH2 3.97Å; M40-W78 HydrophobicContact CG-CZ2 4.19Å; M40-W78 HydrophobicContact SD-CH2 4.15Å; M40-W78 HydrophobicContact SD-CZ2 3.93Å; I41-W78 HydrophobicContact CG1-CH2 4.45Å; I41-W78 HydrophobicContact CG1-CZ2 4.01Å; N44-W78 HydrophobicContact CB-CH2 4.5Å; N44-W78 HydrophobicContact CB-CZ3 4.24Å; H74-W78 PolarHBondContact CE1-O 3.35Å; E76-W78 PolarHBondContact O-N 3.31Å; W78-G101 WeakPolarHBondContact CH2-O 3.49Å; W78-G101 WeakPolarHBondContact CZ3-O 3.36Å; W78-G102 WeakPolarHBondContact CZ3-O 3.19Å; W78-V104 HydrophobicContact CZ3-CB 4.46Å
79	E	89.3	Confident	78.6	Confident	56 Å²	56	85.1 Å²	85.1	26%	0.262	42%	0.424	S	S	.	.			trans	-65.4	147	172.3	-74	-61.5	153	0	0	111	H74 G81 S82 I103 S105 T106	H74-E79 IonicContact NE2-OE1 2.77Å; H74-E79 IonicContact NE2-OE2 2.65Å; E79-G81 PolarHBondContact O-N 2.99Å; E79-S82 VanDerWaalsContact O-CB 3.31Å; E79-S82 WeakPolarHBondContact O-CB 3.42Å; E79-S82 PolarHBondContact O-N 3.47Å; E79-S82 PolarHBondContact O-OG 3.43Å; E79-I103 HydrophobicContact CB-CB 4.16Å; E79-I103 HydrophobicContact CB-CG2 4.35Å; E79-I103 HydrophobicContact CG-CB 4.26Å; E79-I103 HydrophobicContact CG-CG2 3.9Å; E79-I103 PolarHBondContact N-O 3.4Å; E79-S105 VanDerWaalsContact OE1-CA 3.3Å; E79-S105 WeakPolarHBondContact OE1-CA 3.3Å; E79-T106 PolarHBondContact OE1-N 3.3Å
80	R	84.7	Confident	76.4	Confident	192 Å²	192	82 Å²	82	73%	0.725	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	126.4	-177.7	-172.4	-169.5	-176.2	-114	-0.3	111	S82 A171	R80-S82 PolarHBondContact O-N 3.3Å; R80-S82 VanDerWaalsContact O-N 3.17Å; R80-A171 HydrophobicContact CB-CB 3.97Å
81	G	77.1	Confident	74.2	Confident	80 Å²	80	83.8 Å²	83.8	83%	0.825	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	1.8	175.3	0	0	0	0	0	115	E79	E79-G81 PolarHBondContact O-N 2.99Å
82	S	75.6	Confident	72.2	Confident	25 Å²	25	84.9 Å²	84.9	18%	0.175	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-29.7	-179.6	75	0	0	0	0	112.7	E79 R80 R84 G102 I103	E79-S82 VanDerWaalsContact O-CB 3.31Å; E79-S82 WeakPolarHBondContact O-CB 3.42Å; E79-S82 PolarHBondContact O-N 3.47Å; E79-S82 PolarHBondContact O-OG 3.43Å; R80-S82 PolarHBondContact O-N 3.3Å; R80-S82 VanDerWaalsContact O-N 3.17Å; S82-R84 PolarHBondContact O-N 2.96Å; S82-G102 WeakPolarHBondContact O-CA 3.43Å; S82-I103 PolarHBondContact OG-N 3.29Å; S82-I103 PolarHBondContact OG-O 3.07Å
83	R	69.2	Low	70	Confident	72 Å²	72	86.2 Å²	86.2	27%	0.272	48%	0.477	S	S	.	.			trans	-84.2	114.1	-177.2	-163.8	171.7	-170.5	-129.8	8.4	111	I85 G101 S194	R83-I85 HydrophobicContact CB-CG1 4.31Å; R83-I85 HydrophobicContact CG-CD1 4.32Å; R83-I85 HydrophobicContact CG-CG1 3.7Å; R83-I85 PolarHBondContact O-N 3.31Å; R83-G101 WeakPolarHBondContact CG-O 3.3Å; R83-S194 PolarHBondContact NH1-OG 3.18Å
84	R	59.4	Low	67.6	Low	223 Å²	223	82.3 Å²	82.3	84%	0.842	48%	0.478	S	S	*	.			trans	-82.7	89.7	169	-62.6	-173.2	-174.7	-168.4	2.1	108.7	S82 G86	S82-R84 PolarHBondContact O-N 2.96Å; R84-G86 PolarHBondContact O-N 2.91Å
85	I	57.4	Low	65.2	Low	126 Å²	126	88.5 Å²	88.5	65%	0.646	52%	0.516	S	S	*	.			trans	-79.8	16	170.5	-47.2	173.9	0	0	0	110.5	R83	R83-I85 HydrophobicContact CB-CG1 4.31Å; R83-I85 HydrophobicContact CG-CD1 4.32Å; R83-I85 HydrophobicContact CG-CG1 3.7Å; R83-I85 PolarHBondContact O-N 3.31Å
86	G	53.8	Low	62.8	Low	53 Å²	53	99.3 Å²	99.3	55%	0.546	56%	0.556	S	S	.	*	S	Bend	trans	-75.7	143.5	173.2	0	0	0	0	0	110.8	R84 Q88	R84-G86 PolarHBondContact O-N 2.91Å; G86-Q88 PolarHBondContact O-N 3.28Å; G86-Q88 VanDerWaalsContact O-N 3.15Å
87	V	49.2	Very low	60.5	Low	126 Å²	126	102.2 Å²	102.2	76%	0.764	59%	0.593	S	S	*	*			trans	-42.8	120.7	169.5	-177.6	0	0	0	0	108.5	T89	V87-T89 WeakPolarHBondContact CG1-OG1 3.48Å; V87-T89 PolarHBondContact O-N 3.27Å; V87-T89 PolarHBondContact O-OG1 3.34Å
88	Q	48.6	Very low	58.6	Low	125 Å²	125	105.2 Å²	105.2	58%	0.584	61%	0.611	S	S	*	*			trans	-67.6	79.9	168.7	-77.9	-169.3	-23.3	0	0	108.2	G86 G90 G93	G86-Q88 PolarHBondContact O-N 3.28Å; G86-Q88 VanDerWaalsContact O-N 3.15Å; Q88-G90 PolarHBondContact O-N 2.83Å; Q88-G90 VanDerWaalsContact O-N 3.14Å; Q88-G93 PolarHBondContact OE1-O 3.42Å
89	T	44.4	Very low	56.6	Low	130 Å²	130	108.2 Å²	108.2	80%	0.798	65%	0.645	S	S	*	*			trans	-82.7	87.6	175.3	-37.7	0	0	0	0	107.7	V87	V87-T89 WeakPolarHBondContact CG1-OG1 3.48Å; V87-T89 PolarHBondContact O-N 3.27Å; V87-T89 PolarHBondContact O-OG1 3.34Å
90	G	51.3	Low	55.1	Low	48 Å²	48	107.6 Å²	107.6	50%	0.495	65%	0.649	S	S	.	*	S	Bend	trans	-175.4	123.8	173.4	0	0	0	0	0	111.4	Q88 C92 G93	Q88-G90 PolarHBondContact O-N 2.83Å; Q88-G90 VanDerWaalsContact O-N 3.14Å; G90-C92 PolarHBondContact O-N 3.5Å; G90-G93 PolarHBondContact O-N 3.34Å
91	M	50.2	Low	54	Low	203 Å²	203	98.5 Å²	98.5	100%	1	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-8.3	-178.1	-85.1	161.3	60.9	0	0	115.1
92	C	53.1	Low	54	Low	126 Å²	126	95.5 Å²	95.5	85%	0.851	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	9.8	177.7	-59.9	0	0	0	0	114	G90 G94	G90-C92 PolarHBondContact O-N 3.5Å; C92-G94 VanDerWaalsContact C-N 3.34Å; C92-G94 PolarHBondContact O-N 3.04Å
93	G	49.6	Very low	54.6	Low	35 Å²	35	99.8 Å²	99.8	36%	0.361	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	-10.5	-174.6	0	0	0	0	0	115.8	Q88 G90	Q88-G93 PolarHBondContact OE1-O 3.42Å; G90-G93 PolarHBondContact O-N 3.34Å
94	G	43.1	Very low	55.7	Low	69 Å²	69	96.7 Å²	96.7	71%	0.711	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-4.1	-163.6	0	0	0	0	0	117.6	C92	C92-G94 VanDerWaalsContact C-N 3.34Å; C92-G94 PolarHBondContact O-N 3.04Å
95	V	44.1	Very low	57.3	Low	138 Å²	138	86.1 Å²	86.1	84%	0.836	55%	0.554	S	S	*	*	S	Bend	trans	-130.9	22.7	-163.2	-139.8	0	0	0	0	115.7
96	R	45.5	Very low	59.1	Low	226 Å²	226	81.5 Å²	81.5	85%	0.853	53%	0.531	S	S	*	.			trans	-133.1	83.1	165.8	-114.1	176	175	155.2	-2.2	110.2	V98	R96-V98 PolarHBondContact O-N 2.95Å
97	G	43.2	Very low	61.2	Low	84 Å²	84	79 Å²	79	87%	0.866	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	36.3	-174.4	0	0	0	0	0	117.3
98	V	50.4	Low	63.4	Low	62 Å²	62	73 Å²	73	38%	0.376	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-10.6	175.8	-81.3	0	0	0	0	113.9	T43 R96	T43-V98 HydrophobicContact CG2-CG1 3.57Å; R96-V98 PolarHBondContact O-N 2.95Å
99	G	49.9	Very low	65.6	Low	73 Å²	73	67 Å²	67	75%	0.753	44%	0.441	S	S	*	.	S	Bend	trans	-99.2	-4.5	-173	0	0	0	0	0	117.7
100	A	56.4	Low	68.1	Low	43 Å²	43	60.9 Å²	60.9	36%	0.355	40%	0.403	S	S	.	.	S	Bend	trans	-95	-10.4	-175.3	0	0	0	0	0	114.3
101	G	62.2	Low	70.3	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.01	38%	0.38	C	S	.	.	S	Bend	trans	-71.6	-32	-170.8	0	0	0	0	0	114.3	W78 R83	W78-G101 WeakPolarHBondContact CH2-O 3.49Å; W78-G101 WeakPolarHBondContact CZ3-O 3.36Å; R83-G101 WeakPolarHBondContact CG-O 3.3Å
102	G	77	Confident	72.5	Confident	18 Å²	18	50 Å²	50	19%	0.186	34%	0.336	C	S	.	.			trans	84	-174.8	-161.8	0	0	0	0	0	111.5	W78 S82	W78-G102 WeakPolarHBondContact CZ3-O 3.19Å; S82-G102 WeakPolarHBondContact O-CA 3.43Å
103	I	87.8	Confident	74.5	Confident	114 Å²	114	44.7 Å²	44.7	59%	0.585	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-83.1	126.3	178.3	-60.3	166.9	0	0	0	106.6	E79 S82	E79-I103 HydrophobicContact CB-CB 4.16Å; E79-I103 HydrophobicContact CB-CG2 4.35Å; E79-I103 HydrophobicContact CG-CB 4.26Å; E79-I103 HydrophobicContact CG-CG2 3.9Å; E79-I103 PolarHBondContact N-O 3.4Å; S82-I103 PolarHBondContact OG-N 3.29Å; S82-I103 PolarHBondContact OG-O 3.07Å
104	V	92.2	Very high	76.7	Confident	8 Å²	8	43 Å²	43	5%	0.048	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-67.7	142.6	176.5	58.9	0	0	0	0	110.6	I41 N44 I45 W78 C109	I41-V104 HydrophobicContact CG2-CG2 4.4Å; N44-V104 HydrophobicContact CB-CB 4.1Å; N44-V104 HydrophobicContact CB-CG1 4.24Å; I45-V104 HydrophobicContact CD1-CG2 4.46Å; I45-V104 HydrophobicContact CG1-CB 4.49Å; I45-V104 HydrophobicContact CG1-CG1 4.36Å; I45-V104 HydrophobicContact CG1-CG2 3.67Å; W78-V104 HydrophobicContact CZ3-CB 4.46Å; V104-C109 VanDerWaalsContact CG1-SG 3.54Å
105	S	94.2	Very high	79.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-68.6	153.9	-178.5	65.8	0	0	0	0	113.7	H74 E76 P77 E79 A107 Y108 C109	H74-S105 VanDerWaalsContact CE1-CB 3.45Å; H74-S105 WeakPolarHBondContact CE1-CB 3.48Å; E76-S105 WeakPolarHBondContact O-CB 3.33Å; E76-S105 PolarHBondContact O-OG 3.27Å; P77-S105 PolarHBondContact O-N 3.06Å; P77-S105 PolarHBondContact O-OG 3.31Å; E79-S105 VanDerWaalsContact OE1-CA 3.3Å; E79-S105 WeakPolarHBondContact OE1-CA 3.3Å; S105-A107 PolarHBondContact O-N 3.36Å; S105-Y108 PolarHBondContact O-N 3Å; S105-Y108 PolarHBondContact OG-N 3.05Å; S105-C109 PolarHBondContact O-N 3.47Å; S105-C109 VanDerWaalsContact O-N 3.14Å; S105-C109 PolarHBondContact O-SG 3.42Å
106	T	95.3	Very high	81.5	Confident	29 Å²	29	36.9 Å²	36.9	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-41.8	171.7	57.6	0	0	0	0	111.3	Y50 K71 E79 Y108 C109 L110	Y50-T106 HydrophobicContact CE1-CG2 4.1Å; K71-T106 PolarHBondContact O-OG1 3.42Å; E79-T106 PolarHBondContact OE1-N 3.3Å; T106-Y108 PolarHBondContact O-N 3.23Å; T106-C109 PolarHBondContact O-N 2.75Å; T106-L110 WeakPolarHBondContact O-CB 3.43Å; T106-L110 WeakPolarHBondContact O-CG 3.28Å; T106-L110 PolarHBondContact O-N 3.19Å
107	A	96.6	Very high	83.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55	-49.7	177.7	0	0	0	0	0	113	V72 H74 L75 S105 L110 L111 L139	V72-A107 HydrophobicContact CG1-CB 3.98Å; V72-A107 HydrophobicContact CG2-CB 4.48Å; H74-A107 VanDerWaalsContact O-CB 3.29Å; H74-A107 WeakPolarHBondContact O-CB 3.12Å; L75-A107 HydrophobicContact CD2-CB 4.48Å; S105-A107 PolarHBondContact O-N 3.36Å; A107-L110 PolarHBondContact O-N 3.31Å; A107-L111 VanDerWaalsContact O-CB 3.32Å; A107-L111 WeakPolarHBondContact O-CB 3.35Å; A107-L111 PolarHBondContact O-N 2.92Å; A107-L139 HydrophobicContact CB-CD2 4.22Å
108	Y	95.6	Very high	86	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72.4	-31.8	-179.5	-92.3	-105.9	0	0	0	112.8	L37 I41 I45 P77 S105 T106 Y112 M142 Y146	L37-Y108 HydrophobicContact CD2-CD1 3.9Å; L37-Y108 HydrophobicContact CD2-CE1 3.78Å; I41-Y108 HydrophobicContact CD1-CE1 4.19Å; I41-Y108 HydrophobicContact CG2-CD1 3.67Å; I41-Y108 HydrophobicContact CG2-CE1 4.3Å; I41-Y108 HydrophobicContact CG2-CG 4.4Å; I45-Y108 WeakPolarHBondContact CD1-O 3.42Å; P77-Y108 VanDerWaalsContact CA-CD2 3.43Å; P77-Y108 HydrophobicContact CB-CD1 4.4Å; P77-Y108 HydrophobicContact CB-CD2 4.08Å; P77-Y108 HydrophobicContact CB-CE1 4.23Å; P77-Y108 HydrophobicContact CB-CE2 3.89Å; P77-Y108 HydrophobicContact CB-CG 4.3Å; P77-Y108 HydrophobicContact CG-CD2 4.4Å; P77-Y108 HydrophobicContact CG-CE1 4.26Å; P77-Y108 HydrophobicContact CG-CE2 3.71Å; S105-Y108 PolarHBondContact O-N 3Å; S105-Y108 PolarHBondContact OG-N 3.05Å; T106-Y108 PolarHBondContact O-N 3.23Å; Y108-Y112 PolarHBondContact O-N 3.19Å; Y108-Y112 VanDerWaalsContact O-N 3.11Å; Y108-M142 HydrophobicContact CE2-CE 4.4Å; Y108-M142 HydrophobicContact CE2-SD 3.86Å; Y108-Y146 HydrophobicContact CE1-CE2 4.3Å; Y108-Y146 PolarHBondContact OH-OH 2.9Å; Y108-Y146 VanDerWaalsContact OH-OH 3.05Å
109	C	96.2	Very high	88	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-45.6	172	-65.7	0	0	0	0	111.4	Y50 L55 V104 S105 T106 Y112 K113	Y50-C109 HydrophobicContact CD1-CB 3.94Å; Y50-C109 HydrophobicContact CE1-CB 4.11Å; L55-C109 HydrophobicContact CD1-CB 3.67Å; V104-C109 VanDerWaalsContact CG1-SG 3.54Å; S105-C109 PolarHBondContact O-N 3.47Å; S105-C109 VanDerWaalsContact O-N 3.14Å; S105-C109 PolarHBondContact O-SG 3.42Å; T106-C109 PolarHBondContact O-N 2.75Å; C109-Y112 PolarHBondContact O-N 3.05Å; C109-K113 PolarHBondContact O-N 2.88Å
110	L	97.1	Very high	90.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.2	-37.6	178.7	-74.8	162.2	0	0	0	112.2	L55 V64 E67 I68 V72 T106 A107 Y112 K113 L114 L139	L55-L110 HydrophobicContact CD1-CD2 4.01Å; L55-L110 HydrophobicContact CD1-CG 4.12Å; L55-L110 HydrophobicContact CD2-CD2 3.52Å; L55-L110 HydrophobicContact CD2-CG 4.31Å; L55-L110 HydrophobicContact CG-CD2 4.43Å; V64-L110 HydrophobicContact CG1-CD2 3.99Å; E67-L110 HydrophobicContact CB-CD2 4.02Å; E67-L110 HydrophobicContact CG-CD1 4.37Å; E67-L110 HydrophobicContact CG-CD2 3.85Å; I68-L110 HydrophobicContact CB-CD1 4.45Å; I68-L110 HydrophobicContact CG1-CB 3.98Å; I68-L110 HydrophobicContact CG1-CD1 3.78Å; I68-L110 HydrophobicContact CG1-CD2 4.22Å; I68-L110 HydrophobicContact CG1-CG 4.21Å; V72-L110 HydrophobicContact CG2-CD1 3.51Å; T106-L110 WeakPolarHBondContact O-CB 3.43Å; T106-L110 WeakPolarHBondContact O-CG 3.28Å; T106-L110 PolarHBondContact O-N 3.19Å; A107-L110 PolarHBondContact O-N 3.31Å; L110-Y112 VanDerWaalsContact C-N 3.34Å; L110-Y112 PolarHBondContact O-N 3.4Å; L110-K113 WeakPolarHBondContact O-CA 3.08Å; L110-K113 WeakPolarHBondContact O-CB 3.36Å; L110-K113 PolarHBondContact O-N 3.48Å; L110-K113 VanDerWaalsContact O-N 3.12Å; L110-L114 WeakPolarHBondContact O-CG 2.94Å; L110-L114 PolarHBondContact O-N 3.07Å; L110-L139 HydrophobicContact CB-CD1 4.38Å
111	L	96.6	Very high	91.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57	-48	172.4	-179.4	62.9	0	0	0	111.6	M35 A107 K113 L114 F115 L139 M142 Y143 Y146	M35-L111 HydrophobicContact CE-CD1 4.45Å; M35-L111 HydrophobicContact CE-CD2 3.6Å; M35-L111 HydrophobicContact CE-CG 3.67Å; M35-L111 HydrophobicContact SD-CG 4.03Å; A107-L111 VanDerWaalsContact O-CB 3.32Å; A107-L111 WeakPolarHBondContact O-CB 3.35Å; A107-L111 PolarHBondContact O-N 2.92Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.03Å; L111-L114 WeakPolarHBondContact O-CB 3.06Å; L111-L114 PolarHBondContact O-N 3.5Å; L111-F115 PolarHBondContact O-N 3.38Å; L111-F115 VanDerWaalsContact O-N 3.14Å; L111-L139 HydrophobicContact CB-CD2 4.2Å; L111-M142 HydrophobicContact CD1-CB 4.37Å; L111-M142 HydrophobicContact CD2-CB 4.44Å; L111-M142 HydrophobicContact CD2-CG 3.75Å; L111-M142 HydrophobicContact CD2-SD 3.66Å; L111-Y143 HydrophobicContact CD1-CD2 4.24Å; L111-Y146 HydrophobicContact CD2-CD2 4.04Å; L111-Y146 HydrophobicContact CD2-CE2 4.19Å
112	Y	96.1	Very high	93.3	Very high	23 Å²	23	35.6 Å²	35.6	9%	0.09	18%	0.177	C	C	.	.	H	α-helix	trans	-67.1	-35.1	176.1	-175.5	-110.2	0	0	0	111.6	Q33 M35 L37 Y42 I45 F51 Y108 C109 L110 F115 T116	Q33-Y112 WeakPolarHBondContact O-CE2 3.16Å; Q33-Y112 PolarHBondContact O-OH 3.5Å; M35-Y112 HydrophobicContact CB-CD2 4.35Å; L37-Y112 HydrophobicContact CD1-CD2 4.23Å; Y42-Y112 HydrophobicContact CD2-CE2 4.14Å; Y42-Y112 HydrophobicContact CE2-CE1 4.48Å; Y42-Y112 AromaticContact CE2-CE2 3.86Å; Y42-Y112 HydrophobicContact CE2-CE2 3.86Å; Y42-Y112 AromaticContact CE2-CZ 3.7Å; Y42-Y112 WeakPolarHBondContact CE2-OH 3.44Å; I45-Y112 HydrophobicContact CG2-CD1 3.61Å; I45-Y112 HydrophobicContact CG2-CE1 4.44Å; I45-Y112 HydrophobicContact CG2-CG 4.06Å; F51-Y112 HydrophobicContact CD2-CD1 4.36Å; F51-Y112 HydrophobicContact CE1-CD1 4.18Å; F51-Y112 HydrophobicContact CE1-CE1 4.06Å; F51-Y112 AromaticContact CE2-CD1 3.53Å; F51-Y112 HydrophobicContact CE2-CD1 3.53Å; F51-Y112 HydrophobicContact CE2-CE1 4.18Å; F51-Y112 AromaticContact CZ-CD1 3.42Å; F51-Y112 HydrophobicContact CZ-CD1 3.42Å; F51-Y112 VanDerWaalsContact CZ-CD1 3.42Å; F51-Y112 AromaticContact CZ-CE1 3.57Å; F51-Y112 HydrophobicContact CZ-CE1 3.57Å; Y108-Y112 PolarHBondContact O-N 3.19Å; Y108-Y112 VanDerWaalsContact O-N 3.11Å; C109-Y112 PolarHBondContact O-N 3.05Å; L110-Y112 VanDerWaalsContact C-N 3.34Å; L110-Y112 PolarHBondContact O-N 3.4Å; Y112-F115 HydrophobicContact CD2-CD1 4.14Å; Y112-F115 AromaticContact CE2-CD1 3.91Å; Y112-F115 HydrophobicContact CE2-CD1 3.91Å; Y112-F115 HydrophobicContact CE2-CE1 4.38Å; Y112-F115 WeakPolarHBondContact O-CB 3.01Å; Y112-F115 PolarHBondContact O-N 3.08Å; Y112-F115 VanDerWaalsContact O-N 3.16Å; Y112-T116 HydrophobicContact CD1-CG2 4.33Å; Y112-T116 HydrophobicContact CE1-CG2 3.91Å; Y112-T116 WeakPolarHBondContact O-CG2 3.35Å; Y112-T116 PolarHBondContact O-N 3.19Å
113	K	95.9	Very high	94.2	Very high	14 Å²	14	37.5 Å²	37.5	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-47.7	173	179.2	63.4	-172.6	-165.9	0	111.9	F51 L55 V56 L58 V64 C109 L110 L111 F115 T116 L117	F51-K113 HydrophobicContact CE2-CB 4.13Å; L55-K113 HydrophobicContact CB-CD 4.33Å; L55-K113 HydrophobicContact CB-CG 4.4Å; L55-K113 HydrophobicContact CD1-CB 4.39Å; L55-K113 VanDerWaalsContact O-CD 3.31Å; L55-K113 WeakPolarHBondContact O-CD 3.37Å; L55-K113 WeakPolarHBondContact O-CE 3.48Å; L55-K113 PolarHBondContact O-NZ 2.65Å; V56-K113 PolarHBondContact O-NZ 2.91Å; L58-K113 WeakPolarHBondContact O-CE 3.41Å; L58-K113 PolarHBondContact O-NZ 3.35Å; V64-K113 HydrophobicContact CG1-CG 4.27Å; V64-K113 HydrophobicContact CG2-CG 3.79Å; C109-K113 PolarHBondContact O-N 2.88Å; L110-K113 WeakPolarHBondContact O-CA 3.08Å; L110-K113 WeakPolarHBondContact O-CB 3.36Å; L110-K113 PolarHBondContact O-N 3.48Å; L110-K113 VanDerWaalsContact O-N 3.12Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.03Å; K113-F115 PolarHBondContact O-N 3.32Å; K113-T116 PolarHBondContact O-N 2.79Å; K113-T116 PolarHBondContact O-OG1 3.16Å; K113-L117 PolarHBondContact O-N 3.28Å
114	L	95.4	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55	-39.4	174.2	-72.3	172.8	0	0	0	111.5	V64 I68 L110 L111 L117 L119 L127 Y143	V64-L114 HydrophobicContact CB-CD2 4.26Å; V64-L114 HydrophobicContact CG1-CD2 3.59Å; V64-L114 HydrophobicContact CG1-CG 3.89Å; I68-L114 HydrophobicContact CD1-CD1 3.96Å; I68-L114 HydrophobicContact CD1-CG 4.47Å; L110-L114 WeakPolarHBondContact O-CG 2.94Å; L110-L114 PolarHBondContact O-N 3.07Å; L111-L114 WeakPolarHBondContact O-CB 3.06Å; L111-L114 PolarHBondContact O-N 3.5Å; L114-L117 PolarHBondContact O-N 2.95Å; L114-L119 HydrophobicContact CB-CD1 4.16Å; L114-L119 HydrophobicContact CD2-CD1 4.3Å; L114-L119 HydrophobicContact CD2-CD2 4.18Å; L114-L127 HydrophobicContact CD1-CD1 4.08Å; L114-L127 HydrophobicContact CD2-CD1 4.39Å; L114-Y143 HydrophobicContact CB-CD2 4.39Å
115	F	94.5	Very high	94.7	Very high	17 Å²	17	35.4 Å²	35.4	8%	0.075	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-44.3	174.3	176.6	-103.2	0	0	0	113.6	L28 P32 M35 L111 Y112 K113 L117 K118 Y143	L28-F115 HydrophobicContact CD1-CE2 4.1Å; P32-F115 WeakPolarHBondContact O-CE1 3.44Å; P32-F115 VanDerWaalsContact O-CZ 3.28Å; P32-F115 WeakPolarHBondContact O-CZ 3.48Å; M35-F115 HydrophobicContact CB-CB 4.45Å; M35-F115 HydrophobicContact CB-CD1 3.85Å; M35-F115 HydrophobicContact CB-CD2 4.04Å; M35-F115 HydrophobicContact CB-CE1 4.01Å; M35-F115 HydrophobicContact CB-CE2 4.18Å; M35-F115 HydrophobicContact CB-CG 3.86Å; M35-F115 HydrophobicContact CB-CZ 4.17Å; M35-F115 HydrophobicContact CG-CB 3.96Å; M35-F115 HydrophobicContact CG-CD1 4.15Å; M35-F115 HydrophobicContact CG-CD2 3.53Å; M35-F115 HydrophobicContact CG-CE2 3.97Å; M35-F115 HydrophobicContact CG-CG 3.61Å; M35-F115 HydrophobicContact CG-CZ 4.46Å; M35-F115 HydrophobicContact SD-CB 3.63Å; M35-F115 HydrophobicContact SD-CD2 4.27Å; M35-F115 HydrophobicContact SD-CG 4Å; L111-F115 PolarHBondContact O-N 3.38Å; L111-F115 VanDerWaalsContact O-N 3.14Å; Y112-F115 HydrophobicContact CD2-CD1 4.14Å; Y112-F115 AromaticContact CE2-CD1 3.91Å; Y112-F115 HydrophobicContact CE2-CD1 3.91Å; Y112-F115 HydrophobicContact CE2-CE1 4.38Å; Y112-F115 WeakPolarHBondContact O-CB 3.01Å; Y112-F115 PolarHBondContact O-N 3.08Å; Y112-F115 VanDerWaalsContact O-N 3.16Å; K113-F115 PolarHBondContact O-N 3.32Å; F115-L117 PolarHBondContact O-N 3.05Å; F115-K118 PolarHBondContact O-N 3.26Å; F115-K118 VanDerWaalsContact O-N 3.07Å; F115-Y143 HydrophobicContact CB-CE2 3.9Å; F115-Y143 HydrophobicContact CD2-CE2 4.25Å
116	T	93.2	Very high	94.8	Very high	62 Å²	62	36.9 Å²	36.9	38%	0.38	18%	0.182	S	C	.	.	H	α-helix	trans	-63.5	-27.6	177.8	64.4	0	0	0	0	113.6	F51 Y112 K113 K118	F51-T116 HydrophobicContact CZ-CG2 4.49Å; Y112-T116 HydrophobicContact CD1-CG2 4.33Å; Y112-T116 HydrophobicContact CE1-CG2 3.91Å; Y112-T116 WeakPolarHBondContact O-CG2 3.35Å; Y112-T116 PolarHBondContact O-N 3.19Å; K113-T116 PolarHBondContact O-N 2.79Å; K113-T116 PolarHBondContact O-OG1 3.16Å; T116-K118 PolarHBondContact O-N 3.36Å
117	L	92.6	Very high	94.8	Very high	51 Å²	51	35.5 Å²	35.5	27%	0.267	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.8	176.7	-67.7	-179	0	0	0	113.8	K59 V64 K113 L114 F115	K59-L117 WeakPolarHBondContact O-CD2 3.38Å; V64-L117 HydrophobicContact CG2-CD1 3.7Å; K113-L117 PolarHBondContact O-N 3.28Å; L114-L117 PolarHBondContact O-N 2.95Å; F115-L117 PolarHBondContact O-N 3.05Å
118	K	90.9	Very high	94.8	Very high	161 Å²	161	35.5 Å²	35.5	70%	0.7	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	71.3	-178.1	-63.2	-178.1	178.6	176.3	0	112.4	F115 T116 T120	F115-K118 PolarHBondContact O-N 3.26Å; F115-K118 VanDerWaalsContact O-N 3.07Å; T116-K118 PolarHBondContact O-N 3.36Å; K118-T120 PolarHBondContact O-N 2.65Å
119	L	93.2	Very high	94.9	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	19%	0.194	C	C	.	.			trans	-53.4	140.4	-178.9	-60.4	-176.4	0	0	0	112.7	L26 Y61 L114 Q123 L127 Y143	L26-L119 HydrophobicContact CD1-CB 4.18Å; L26-L119 VanDerWaalsContact CD1-O 3.3Å; L26-L119 WeakPolarHBondContact CD1-O 3.35Å; Y61-L119 HydrophobicContact CD2-CD2 3.78Å; Y61-L119 HydrophobicContact CE2-CD2 4.27Å; L114-L119 HydrophobicContact CB-CD1 4.16Å; L114-L119 HydrophobicContact CD2-CD1 4.3Å; L114-L119 HydrophobicContact CD2-CD2 4.18Å; L119-Q123 HydrophobicContact CB-CB 4.48Å; L119-Q123 HydrophobicContact CD2-CB 4.32Å; L119-L127 HydrophobicContact CD1-CD1 3.72Å; L119-Y143 HydrophobicContact CD1-CD2 4.41Å; L119-Y143 HydrophobicContact CD1-CE1 4.44Å; L119-Y143 HydrophobicContact CD1-CE2 4.28Å
120	T	94.1	Very high	94.9	Very high	42 Å²	42	40.8 Å²	40.8	26%	0.258	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-80.4	163.6	165.6	63.3	0	0	0	0	110.4	K118 K122 Q123 L124	K118-T120 PolarHBondContact O-N 2.65Å; T120-K122 VanDerWaalsContact C-N 3.28Å; T120-K122 PolarHBondContact O-N 3.25Å; T120-Q123 PolarHBondContact O-N 3.35Å; T120-Q123 WeakPolarHBondContact OG1-CG 3.39Å; T120-Q123 PolarHBondContact OG1-N 3.39Å; T120-Q123 PolarHBondContact OG1-OE1 3.1Å; T120-L124 PolarHBondContact O-N 3.07Å
121	R	92.5	Very high	94.7	Very high	42 Å²	42	46 Å²	46	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-41.1	176.5	-170.4	-172.6	-58.8	-163.6	1.7	112.6	P21 R22 G23 N24 L26 Q123 L124 K125 W156	P21-R121 VanDerWaalsContact CB-NH2 3.34Å; P21-R121 PolarHBondContact O-NH1 3.09Å; P21-R121 PolarHBondContact O-NH2 3.32Å; R22-R121 VanDerWaalsContact C-NH2 3.3Å; G23-R121 PolarHBondContact O-NE 3.27Å; G23-R121 VanDerWaalsContact O-NE 3.07Å; G23-R121 PolarHBondContact O-NH2 2.62Å; N24-R121 PolarHBondContact O-N 3.05Å; L26-R121 HydrophobicContact CD2-CB 3.89Å; L26-R121 HydrophobicContact CD2-CG 4.09Å; L26-R121 HydrophobicContact CG-CB 4.43Å; R121-Q123 VanDerWaalsContact C-N 3.34Å; R121-L124 PolarHBondContact O-N 2.76Å; R121-K125 WeakPolarHBondContact O-CB 3.46Å; R121-K125 PolarHBondContact O-N 3.1Å; R121-W156 HydrophobicContact CG-CH2 3.54Å; R121-W156 HydrophobicContact CG-CZ2 3.84Å
122	K	93.2	Very high	94.6	Very high	159 Å²	159	51 Å²	51	69%	0.691	26%	0.261	S	S	*	.	H	α-helix	trans	-61.6	-42.6	177.7	-72.1	-176.8	-179.6	-173.1	0	111.8	N24 T120 K125 G126	N24-K122 WeakPolarHBondContact OD1-CG 3.43Å; T120-K122 VanDerWaalsContact C-N 3.28Å; T120-K122 PolarHBondContact O-N 3.25Å; K122-K125 PolarHBondContact O-N 2.82Å; K122-G126 PolarHBondContact O-N 3.1Å
123	Q	95.3	Very high	94.5	Very high	57 Å²	57	50.3 Å²	50.3	27%	0.266	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-42.3	176.5	-74.2	165.6	-38.9	0	0	111.7	Y61 L119 T120 R121 G126 L127	Y61-Q123 HydrophobicContact CD1-CG 4.06Å; Y61-Q123 HydrophobicContact CD2-CB 4Å; Y61-Q123 HydrophobicContact CD2-CG 4.09Å; Y61-Q123 HydrophobicContact CE1-CB 4.41Å; Y61-Q123 HydrophobicContact CE1-CG 4.19Å; Y61-Q123 HydrophobicContact CE2-CB 3.78Å; Y61-Q123 HydrophobicContact CE2-CG 4.23Å; Y61-Q123 HydrophobicContact CG-CB 4.4Å; Y61-Q123 HydrophobicContact CG-CG 3.99Å; Y61-Q123 PolarHBondContact OH-O 3.39Å; L119-Q123 HydrophobicContact CB-CB 4.48Å; L119-Q123 HydrophobicContact CD2-CB 4.32Å; T120-Q123 PolarHBondContact O-N 3.35Å; T120-Q123 WeakPolarHBondContact OG1-CG 3.39Å; T120-Q123 PolarHBondContact OG1-N 3.39Å; T120-Q123 PolarHBondContact OG1-OE1 3.1Å; R121-Q123 VanDerWaalsContact C-N 3.34Å; Q123-G126 PolarHBondContact O-N 2.94Å; Q123-L127 PolarHBondContact O-N 3.43Å
124	L	96	Very high	94.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-47.2	175.6	179.1	58.7	0	0	0	111.2	L26 T120 R121 G126 L127 L128 Y143 I144 W156	L26-L124 HydrophobicContact CD1-CB 3.93Å; L26-L124 HydrophobicContact CD1-CD2 3.69Å; L26-L124 HydrophobicContact CD1-CG 4.46Å; L26-L124 HydrophobicContact CD2-CD2 4.04Å; T120-L124 PolarHBondContact O-N 3.07Å; R121-L124 PolarHBondContact O-N 2.76Å; L124-G126 VanDerWaalsContact C-N 3.27Å; L124-G126 PolarHBondContact O-N 3.29Å; L124-L127 HydrophobicContact CD1-CD1 4.49Å; L124-L127 WeakPolarHBondContact O-CB 3.24Å; L124-L127 PolarHBondContact O-N 2.98Å; L124-L128 HydrophobicContact CD1-CD2 4.47Å; L124-L128 WeakPolarHBondContact O-CG 3.25Å; L124-L128 PolarHBondContact O-N 3.05Å; L124-L128 VanDerWaalsContact O-N 3.13Å; L124-Y143 HydrophobicContact CD1-CD1 3.99Å; L124-Y143 HydrophobicContact CD2-CD1 4.31Å; L124-I144 HydrophobicContact CD1-CD1 4.25Å; L124-I144 HydrophobicContact CD1-CG1 4.14Å; L124-I144 HydrophobicContact CD2-CD1 4.15Å; L124-I144 HydrophobicContact CD2-CG1 3.71Å; L124-I144 HydrophobicContact CG-CD1 4.36Å; L124-I144 HydrophobicContact CG-CG1 4.33Å; L124-W156 HydrophobicContact CB-CH2 4.23Å; L124-W156 HydrophobicContact CD2-CH2 3.72Å; L124-W156 HydrophobicContact CD2-CZ2 3.74Å; L124-W156 HydrophobicContact CD2-CZ3 4.14Å; L124-W156 HydrophobicContact CG-CH2 3.98Å; L124-W156 HydrophobicContact CG-CZ2 4.49Å; L124-W156 HydrophobicContact CG-CZ3 4.08Å
125	K	94.9	Very high	94.6	Very high	79 Å²	79	52.7 Å²	52.7	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-39.8	174.9	-173.2	55.9	164.5	140	0	112	R121 K122 L127 L128 D129 W156 Y160	R121-K125 WeakPolarHBondContact O-CB 3.46Å; R121-K125 PolarHBondContact O-N 3.1Å; K122-K125 PolarHBondContact O-N 2.82Å; K125-L127 VanDerWaalsContact C-N 3.31Å; K125-L127 PolarHBondContact O-N 3.32Å; K125-L128 PolarHBondContact O-N 3.49Å; K125-L128 VanDerWaalsContact O-N 3.17Å; K125-D129 VanDerWaalsContact CD-OD2 3.31Å; K125-D129 WeakPolarHBondContact CD-OD2 3.45Å; K125-D129 WeakPolarHBondContact CE-OD2 3.46Å; K125-D129 IonicContact NZ-OD1 3.58Å; K125-D129 PolarHBondContact NZ-OD1 3.19Å; K125-D129 IonicContact NZ-OD2 2.76Å; K125-D129 PolarHBondContact NZ-OD2 3.07Å; K125-D129 PolarHBondContact O-N 3.37Å; K125-W156 HydrophobicContact CB-CZ3 4.29Å; K125-W156 HydrophobicContact CD-CZ3 4.42Å; K125-Y160 PolarHBondContact NZ-OH 3.4Å
126	G	95.4	Very high	94.7	Very high	30 Å²	30	51.9 Å²	51.9	31%	0.309	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-32.6	173.4	0	0	0	0	0	114.1	K122 Q123 L124 H130	K122-G126 PolarHBondContact O-N 3.1Å; Q123-G126 PolarHBondContact O-N 2.94Å; L124-G126 VanDerWaalsContact C-N 3.27Å; L124-G126 PolarHBondContact O-N 3.29Å; G126-H130 PolarHBondContact O-N 3.37Å
127	L	96.6	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-44.1	171.1	-68.5	171	0	0	0	111.2	Y61 I65 L114 L119 Q123 L124 K125 D129 H130 I136 R137	Y61-L127 HydrophobicContact CE2-CD1 4.13Å; Y61-L127 HydrophobicContact CE2-CD2 3.79Å; Y61-L127 HydrophobicContact CE2-CG 3.76Å; Y61-L127 WeakPolarHBondContact OH-CG 3.23Å; Y61-L127 PolarHBondContact OH-N 3.04Å; I65-L127 HydrophobicContact CD1-CD2 4.24Å; I65-L127 HydrophobicContact CG1-CD2 3.8Å; L114-L127 HydrophobicContact CD1-CD1 4.08Å; L114-L127 HydrophobicContact CD2-CD1 4.39Å; L119-L127 HydrophobicContact CD1-CD1 3.72Å; Q123-L127 PolarHBondContact O-N 3.43Å; L124-L127 HydrophobicContact CD1-CD1 4.49Å; L124-L127 WeakPolarHBondContact O-CB 3.24Å; L124-L127 PolarHBondContact O-N 2.98Å; K125-L127 VanDerWaalsContact C-N 3.31Å; K125-L127 PolarHBondContact O-N 3.32Å; L127-D129 VanDerWaalsContact C-N 3.34Å; L127-D129 PolarHBondContact O-N 2.85Å; L127-H130 WeakPolarHBondContact O-CB 3.34Å; L127-H130 PolarHBondContact O-N 3.38Å; L127-I136 HydrophobicContact CD2-CG2 3.59Å; L127-R137 VanDerWaalsContact O-CA 3.28Å; L127-R137 WeakPolarHBondContact O-CA 3.28Å
128	L	96.9	Very high	95.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-33.3	-176	-55.6	-171.8	0	0	0	113.4	L124 K125 R137 G140 F141 I144 W156 Y160	L124-L128 HydrophobicContact CD1-CD2 4.47Å; L124-L128 WeakPolarHBondContact O-CG 3.25Å; L124-L128 PolarHBondContact O-N 3.05Å; L124-L128 VanDerWaalsContact O-N 3.13Å; K125-L128 PolarHBondContact O-N 3.49Å; K125-L128 VanDerWaalsContact O-N 3.17Å; L128-R137 PolarHBondContact O-NE 2.66Å; L128-R137 PolarHBondContact O-NH2 2.72Å; L128-G140 VanDerWaalsContact CD2-C 3.42Å; L128-F141 HydrophobicContact CB-CE1 4.26Å; L128-F141 HydrophobicContact CB-CZ 4.22Å; L128-F141 HydrophobicContact CD1-CD1 4.32Å; L128-F141 HydrophobicContact CD1-CE1 3.94Å; L128-F141 HydrophobicContact CD2-CD1 3.51Å; L128-F141 HydrophobicContact CD2-CD2 4.32Å; L128-F141 HydrophobicContact CD2-CE1 3.63Å; L128-F141 HydrophobicContact CD2-CE2 4.4Å; L128-F141 HydrophobicContact CD2-CG 3.87Å; L128-F141 HydrophobicContact CD2-CZ 4.06Å; L128-F141 HydrophobicContact CG-CD1 4.43Å; L128-F141 HydrophobicContact CG-CE1 4.13Å; L128-I144 HydrophobicContact CD1-CD1 3.78Å; L128-I144 HydrophobicContact CD2-CD1 3.98Å; L128-I144 HydrophobicContact CG-CD1 4.4Å; L128-W156 HydrophobicContact CD1-CE3 3.55Å; L128-W156 HydrophobicContact CD1-CZ3 3.93Å; L128-Y160 HydrophobicContact CB-CE1 4.31Å; L128-Y160 HydrophobicContact CB-CE2 4.05Å; L128-Y160 VanDerWaalsContact CB-OH 3.23Å; L128-Y160 WeakPolarHBondContact CB-OH 3.49Å; L128-Y160 HydrophobicContact CD1-CE2 3.8Å
129	D	96.2	Very high	95.5	Very high	80 Å²	80	39.9 Å²	39.9	43%	0.428	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	15.5	179.6	-64.4	-33.5	0	0	0	112.6	K125 L127 Y160	K125-D129 VanDerWaalsContact CD-OD2 3.31Å; K125-D129 WeakPolarHBondContact CD-OD2 3.45Å; K125-D129 WeakPolarHBondContact CE-OD2 3.46Å; K125-D129 IonicContact NZ-OD1 3.58Å; K125-D129 PolarHBondContact NZ-OD1 3.19Å; K125-D129 IonicContact NZ-OD2 2.76Å; K125-D129 PolarHBondContact NZ-OD2 3.07Å; K125-D129 PolarHBondContact O-N 3.37Å; L127-D129 VanDerWaalsContact C-N 3.34Å; L127-D129 PolarHBondContact O-N 2.85Å; D129-Y160 WeakPolarHBondContact OD1-CE1 3.4Å; D129-Y160 VanDerWaalsContact OD1-CZ 3.23Å; D129-Y160 PolarHBondContact OD1-OH 2.71Å; D129-Y160 PolarHBondContact OD2-OH 3.27Å
130	H	95.8	Very high	95.6	Very high	32 Å²	32	39.6 Å²	39.6	15%	0.148	21%	0.207	C	C	.	.			trans	-68.1	126.8	-175.8	-158.7	-81.4	0	0	0	111.4	G126 L127 D132 I136 R137	G126-H130 PolarHBondContact O-N 3.37Å; L127-H130 WeakPolarHBondContact O-CB 3.34Å; L127-H130 PolarHBondContact O-N 3.38Å; H130-D132 IonicContact CE1-OD2 2.88Å; H130-D132 PolarHBondContact CE1-OD2 3.4Å; H130-D132 PolarHBondContact ND1-N 2.84Å; H130-D132 IonicContact ND1-OD2 2.63Å; H130-I136 HydrophobicContact CB-CB 4.25Å; H130-I136 HydrophobicContact CB-CG2 3.74Å; H130-I136 VanDerWaalsContact CE1-CD1 3.48Å; H130-I136 WeakPolarHBondContact CE1-CD1 3.2Å; H130-I136 WeakPolarHBondContact ND1-CD1 3.25Å; H130-R137 HydrophobicContact CB-CG 4.21Å; H130-R137 VanDerWaalsContact O-CD 3.3Å; H130-R137 WeakPolarHBondContact O-CD 3.22Å; H130-R137 WeakPolarHBondContact O-CG 3.17Å
131	P	94	Very high	95.8	Very high	109 Å²	109	37.6 Å²	37.6	71%	0.708	19%	0.194	S	C	*	.	S	Bend	trans	-80.3	-23.5	-173.4	30.3	-35.1	0	0	0	114.3
132	D	93.5	Very high	96	Very high	105 Å²	105	35.6 Å²	35.6	56%	0.561	19%	0.187	S	C	*	.	S	Bend	trans	-85	-28.6	-164.1	-58.7	-28.8	0	0	0	115.3	Y69 H130	Y69-D132 HydrophobicContact CD2-CB 4.17Å; Y69-D132 HydrophobicContact CE2-CB 4.01Å; H130-D132 IonicContact CE1-OD2 2.88Å; H130-D132 PolarHBondContact CE1-OD2 3.4Å; H130-D132 PolarHBondContact ND1-N 2.84Å; H130-D132 IonicContact ND1-OD2 2.63Å
133	S	94.2	Very high	96.1	Very high	10 Å²	10	28 Å²	28	7%	0.07	15%	0.154	C	C	.	.			trans	-152.7	132.3	-176.8	170.3	0	0	0	0	112.8	Y135 I136	S133-Y135 PolarHBondContact O-N 3.32Å; S133-Y135 PolarHBondContact OG-N 2.95Å; S133-I136 PolarHBondContact O-N 2.86Å
134	P	96.4	Very high	96.2	Very high	25 Å²	25	25.3 Å²	25.3	16%	0.162	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-24.9	175.1	25.6	-34	0	0	0	112.2	R137 A138 E165 L167	P134-R137 PolarHBondContact O-N 3.46Å; P134-A138 VanDerWaalsContact O-CB 3.24Å; P134-A138 WeakPolarHBondContact O-CB 3.44Å; P134-A138 PolarHBondContact O-N 3.2Å; P134-E165 HydrophobicContact CB-CG 4.03Å; P134-L167 HydrophobicContact CB-CB 3.98Å; P134-L167 HydrophobicContact CG-CB 4.1Å
135	Y	97.2	Very high	96.2	Very high	38 Å²	38	25.4 Å²	25.4	15%	0.149	14%	0.142	C	C	.	.	H	α-helix	trans	-69	-34.6	178.2	-66.9	-74.5	0	0	0	112.4	V72 E73 L75 S133 A138 L139 L167 D168	V72-Y135 HydrophobicContact CG1-CD1 3.8Å; V72-Y135 HydrophobicContact CG1-CG 3.98Å; E73-Y135 WeakPolarHBondContact O-CE1 3.39Å; E73-Y135 VanDerWaalsContact O-CZ 3.28Å; E73-Y135 PolarHBondContact O-OH 3.13Å; L75-Y135 HydrophobicContact CD2-CD1 4.16Å; L75-Y135 HydrophobicContact CG-CD1 4.26Å; S133-Y135 PolarHBondContact O-N 3.32Å; S133-Y135 PolarHBondContact OG-N 2.95Å; Y135-A138 PolarHBondContact O-N 3.19Å; Y135-L139 WeakPolarHBondContact O-CG 3.34Å; Y135-L139 PolarHBondContact O-N 3Å; Y135-L167 HydrophobicContact CD1-CD1 4.47Å; Y135-D168 WeakPolarHBondContact CE1-O 3.38Å; Y135-D168 PolarHBondContact OH-N 3.42Å; Y135-D168 PolarHBondContact OH-O 3.04Å
136	I	97.6	Very high	96.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-48.1	173.7	-60.8	165.7	0	0	0	109.4	I65 I68 Y69 L127 H130 S133 L139 G140	I65-I136 HydrophobicContact CG2-CD1 3.8Å; I65-I136 HydrophobicContact CG2-CG1 4.36Å; I65-I136 HydrophobicContact CG2-CG2 4.29Å; I68-I136 HydrophobicContact CB-CG1 4.25Å; I68-I136 HydrophobicContact CG2-CB 4.31Å; I68-I136 HydrophobicContact CG2-CG1 3.61Å; Y69-I136 HydrophobicContact CD2-CD1 4.35Å; L127-I136 HydrophobicContact CD2-CG2 3.59Å; H130-I136 HydrophobicContact CB-CB 4.25Å; H130-I136 HydrophobicContact CB-CG2 3.74Å; H130-I136 VanDerWaalsContact CE1-CD1 3.48Å; H130-I136 WeakPolarHBondContact CE1-CD1 3.2Å; H130-I136 WeakPolarHBondContact ND1-CD1 3.25Å; S133-I136 PolarHBondContact O-N 2.86Å; I136-L139 PolarHBondContact O-N 3.49Å; I136-G140 PolarHBondContact O-N 3.23Å; I136-G140 VanDerWaalsContact O-N 3.1Å
137	R	97.4	Very high	96.1	Very high	23 Å²	23	20.4 Å²	20.4	9%	0.087	11%	0.112	C	C	.	.	H	α-helix	trans	-60.6	-47.9	177.8	-54.2	179.1	71.5	-156.1	-5.2	111.1	L127 L128 H130 P134 L139 G140 F141 Y160 D163 E165	L127-R137 VanDerWaalsContact O-CA 3.28Å; L127-R137 WeakPolarHBondContact O-CA 3.28Å; L128-R137 PolarHBondContact O-NE 2.66Å; L128-R137 PolarHBondContact O-NH2 2.72Å; H130-R137 HydrophobicContact CB-CG 4.21Å; H130-R137 VanDerWaalsContact O-CD 3.3Å; H130-R137 WeakPolarHBondContact O-CD 3.22Å; H130-R137 WeakPolarHBondContact O-CG 3.17Å; P134-R137 PolarHBondContact O-N 3.46Å; R137-L139 PolarHBondContact O-N 3.32Å; R137-G140 WeakPolarHBondContact O-CA 3.44Å; R137-G140 PolarHBondContact O-N 2.87Å; R137-G140 VanDerWaalsContact O-N 3.07Å; R137-F141 HydrophobicContact CB-CE2 4.14Å; R137-F141 WeakPolarHBondContact O-CD2 3.48Å; R137-F141 PolarHBondContact O-N 3.38Å; R137-Y160 VanDerWaalsContact NH2-CD1 3.33Å; R137-D163 IonicContact CZ-OD2 2.71Å; R137-D163 IonicContact NH1-OD1 3.94Å; R137-D163 IonicContact NH1-OD2 3.16Å; R137-D163 PolarHBondContact NH1-OD2 2.95Å; R137-D163 IonicContact NH2-OD2 3.36Å; R137-D163 PolarHBondContact NH2-OD2 3.21Å; R137-E165 WeakPolarHBondContact CD-OE2 3.14Å; R137-E165 IonicContact CZ-OE2 3.81Å; R137-E165 IonicContact NE-OE2 3.42Å; R137-E165 IonicContact NH1-OE2 3.5Å; R137-E165 PolarHBondContact NH1-OE2 3.4Å
138	A	97.2	Very high	96	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-39.2	-179.7	0	0	0	0	0	113.4	L75 P134 Y135 G140 F141 M142 L167 I179 M182	L75-A138 HydrophobicContact CD1-CB 3.41Å; L75-A138 VanDerWaalsContact CD1-CB 3.41Å; L75-A138 HydrophobicContact CD2-CB 4.2Å; L75-A138 HydrophobicContact CG-CB 4.42Å; P134-A138 VanDerWaalsContact O-CB 3.24Å; P134-A138 WeakPolarHBondContact O-CB 3.44Å; P134-A138 PolarHBondContact O-N 3.2Å; Y135-A138 PolarHBondContact O-N 3.19Å; A138-G140 VanDerWaalsContact C-N 3.33Å; A138-F141 PolarHBondContact O-N 3.13Å; A138-M142 WeakPolarHBondContact O-CB 3.38Å; A138-M142 PolarHBondContact O-N 3.27Å; A138-L167 HydrophobicContact CB-CD1 3.61Å; A138-I179 HydrophobicContact CB-CD1 4.37Å; A138-M182 HydrophobicContact CB-CE 3.76Å; A138-M182 HydrophobicContact CB-SD 4.14Å
139	L	97.4	Very high	95.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-35.9	172.4	-76.4	-176.8	0	0	0	112.3	I68 V72 L75 A107 L110 L111 Y135 I136 R137 M142 Y143	I68-L139 HydrophobicContact CB-CD1 4.38Å; I68-L139 HydrophobicContact CD1-CD1 3.73Å; I68-L139 HydrophobicContact CG1-CD1 3.68Å; I68-L139 HydrophobicContact CG2-CD1 3.75Å; V72-L139 HydrophobicContact CG2-CD1 4.25Å; L75-L139 HydrophobicContact CD2-CD2 4.16Å; L75-L139 HydrophobicContact CD2-CG 4.39Å; A107-L139 HydrophobicContact CB-CD2 4.22Å; L110-L139 HydrophobicContact CB-CD1 4.38Å; L111-L139 HydrophobicContact CB-CD2 4.2Å; Y135-L139 WeakPolarHBondContact O-CG 3.34Å; Y135-L139 PolarHBondContact O-N 3Å; I136-L139 PolarHBondContact O-N 3.49Å; R137-L139 PolarHBondContact O-N 3.32Å; L139-M142 PolarHBondContact O-N 3.16Å; L139-Y143 WeakPolarHBondContact O-CB 3.47Å; L139-Y143 PolarHBondContact O-N 3.16Å
140	G	97.1	Very high	95.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-44.4	171.1	0	0	0	0	0	112.5	L128 I136 R137 A138 Y143 I144	L128-G140 VanDerWaalsContact CD2-C 3.42Å; I136-G140 PolarHBondContact O-N 3.23Å; I136-G140 VanDerWaalsContact O-N 3.1Å; R137-G140 WeakPolarHBondContact O-CA 3.44Å; R137-G140 PolarHBondContact O-N 2.87Å; R137-G140 VanDerWaalsContact O-N 3.07Å; A138-G140 VanDerWaalsContact C-N 3.33Å; G140-Y143 WeakPolarHBondContact O-CB 3.34Å; G140-Y143 PolarHBondContact O-N 3.41Å; G140-I144 PolarHBondContact O-N 3.36Å
141	F	97.2	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-40.6	174.1	-65.2	-60.8	0	0	0	111.9	L128 R137 A138 Y143 I144 R145 Y157 Y160 I179 M182 L183 W186	L128-F141 HydrophobicContact CB-CE1 4.26Å; L128-F141 HydrophobicContact CB-CZ 4.22Å; L128-F141 HydrophobicContact CD1-CD1 4.32Å; L128-F141 HydrophobicContact CD1-CE1 3.94Å; L128-F141 HydrophobicContact CD2-CD1 3.51Å; L128-F141 HydrophobicContact CD2-CD2 4.32Å; L128-F141 HydrophobicContact CD2-CE1 3.63Å; L128-F141 HydrophobicContact CD2-CE2 4.4Å; L128-F141 HydrophobicContact CD2-CG 3.87Å; L128-F141 HydrophobicContact CD2-CZ 4.06Å; L128-F141 HydrophobicContact CG-CD1 4.43Å; L128-F141 HydrophobicContact CG-CE1 4.13Å; R137-F141 HydrophobicContact CB-CE2 4.14Å; R137-F141 WeakPolarHBondContact O-CD2 3.48Å; R137-F141 PolarHBondContact O-N 3.38Å; A138-F141 PolarHBondContact O-N 3.13Å; F141-Y143 VanDerWaalsContact C-N 3.28Å; F141-Y143 PolarHBondContact O-N 3Å; F141-I144 HydrophobicContact CD1-CD1 4.47Å; F141-I144 WeakPolarHBondContact O-CB 3.27Å; F141-I144 PolarHBondContact O-N 2.9Å; F141-I144 VanDerWaalsContact O-N 3.13Å; F141-R145 PolarHBondContact O-N 3.13Å; F141-Y157 HydrophobicContact CB-CE1 4.17Å; F141-Y157 AromaticContact CD1-CD1 3.72Å; F141-Y157 HydrophobicContact CD1-CD1 3.72Å; F141-Y157 AromaticContact CD1-CE1 3.69Å; F141-Y157 HydrophobicContact CD1-CE1 3.69Å; F141-Y157 HydrophobicContact CE1-CD1 4.25Å; F141-Y157 HydrophobicContact CG-CE1 4.39Å; F141-Y157 PolarHBondContact O-OH 3.1Å; F141-Y160 HydrophobicContact CE1-CD1 4.44Å; F141-Y160 AromaticContact CE1-CD2 3.41Å; F141-Y160 HydrophobicContact CE1-CD2 3.41Å; F141-Y160 VanDerWaalsContact CE1-CD2 3.41Å; F141-Y160 AromaticContact CE1-CE2 3.82Å; F141-Y160 HydrophobicContact CE1-CE2 3.82Å; F141-Y160 AromaticContact CE1-CG 3.74Å; F141-Y160 HydrophobicContact CE1-CG 3.74Å; F141-Y160 AromaticContact CZ-CD1 3.77Å; F141-Y160 HydrophobicContact CZ-CD1 3.77Å; F141-Y160 AromaticContact CZ-CD2 3.59Å; F141-Y160 HydrophobicContact CZ-CD2 3.59Å; F141-Y160 HydrophobicContact CZ-CE1 4.18Å; F141-Y160 HydrophobicContact CZ-CE2 4.02Å; F141-Y160 AromaticContact CZ-CG 3.41Å; F141-Y160 HydrophobicContact CZ-CG 3.41Å; F141-Y160 VanDerWaalsContact CZ-CG 3.41Å; F141-I179 HydrophobicContact CD2-CG2 4.22Å; F141-I179 HydrophobicContact CE2-CG2 3.63Å; F141-I179 HydrophobicContact CZ-CG2 4.24Å; F141-M182 HydrophobicContact CD2-CE 4.35Å; F141-L183 HydrophobicContact CB-CD2 3.67Å; F141-L183 HydrophobicContact CD1-CD1 4.24Å; F141-L183 HydrophobicContact CD1-CD2 3.78Å; F141-L183 HydrophobicContact CD2-CD2 4.16Å; F141-L183 HydrophobicContact CE1-CD1 4.1Å; F141-L183 HydrophobicContact CE1-CD2 4.46Å; F141-L183 HydrophobicContact CG-CD2 3.63Å; F141-L183 HydrophobicContact CZ-CD1 4.35Å; F141-W186 HydrophobicContact CB-CE3 4.42Å; F141-W186 HydrophobicContact CB-CH2 4.37Å; F141-W186 HydrophobicContact CB-CZ3 3.57Å
142	M	96.3	Very high	95.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-37.8	178.4	-167.4	173.2	-74.8	0	0	110.7	L75 Y108 L111 A138 L139 I144 R145 Y146 W186 W192	L75-M142 HydrophobicContact CB-CE 4.16Å; Y108-M142 HydrophobicContact CE2-CE 4.4Å; Y108-M142 HydrophobicContact CE2-SD 3.86Å; L111-M142 HydrophobicContact CD1-CB 4.37Å; L111-M142 HydrophobicContact CD2-CB 4.44Å; L111-M142 HydrophobicContact CD2-CG 3.75Å; L111-M142 HydrophobicContact CD2-SD 3.66Å; A138-M142 WeakPolarHBondContact O-CB 3.38Å; A138-M142 PolarHBondContact O-N 3.27Å; L139-M142 PolarHBondContact O-N 3.16Å; M142-I144 VanDerWaalsContact C-N 3.31Å; M142-I144 PolarHBondContact O-N 2.8Å; M142-R145 WeakPolarHBondContact O-CB 3.45Å; M142-R145 PolarHBondContact O-N 2.82Å; M142-R145 VanDerWaalsContact O-N 3.16Å; M142-Y146 HydrophobicContact CG-CD2 3.82Å; M142-Y146 HydrophobicContact CG-CE2 3.73Å; M142-Y146 WeakPolarHBondContact O-CD2 3.02Å; M142-Y146 PolarHBondContact O-N 2.94Å; M142-Y146 VanDerWaalsContact O-N 3.13Å; M142-Y146 HydrophobicContact SD-CE2 4.19Å; M142-W186 HydrophobicContact CB-CH2 3.69Å; M142-W186 HydrophobicContact CB-CZ2 4.44Å; M142-W186 HydrophobicContact CB-CZ3 3.99Å; M142-W186 HydrophobicContact CE-CH2 3.83Å; M142-W186 HydrophobicContact CE-CZ2 3.43Å; M142-W186 VanDerWaalsContact CE-CZ2 3.43Å; M142-W186 HydrophobicContact CG-CH2 4.29Å; M142-W186 VanDerWaalsContact N-CZ3 3.33Å; M142-W192 HydrophobicContact CE-CZ2 4.36Å
143	Y	96.3	Very high	95.6	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	6%	0.057	C	C	.	.	H	α-helix	trans	-56.5	-45	172.5	-174	-88.2	0	0	0	111.6	L26 L111 L114 F115 L119 L124 L139 G140 F141 Y146 C147	L26-Y143 HydrophobicContact CD1-CE1 4.16Å; L111-Y143 HydrophobicContact CD1-CD2 4.24Å; L114-Y143 HydrophobicContact CB-CD2 4.39Å; F115-Y143 HydrophobicContact CB-CE2 3.9Å; F115-Y143 HydrophobicContact CD2-CE2 4.25Å; L119-Y143 HydrophobicContact CD1-CD2 4.41Å; L119-Y143 HydrophobicContact CD1-CE1 4.44Å; L119-Y143 HydrophobicContact CD1-CE2 4.28Å; L124-Y143 HydrophobicContact CD1-CD1 3.99Å; L124-Y143 HydrophobicContact CD2-CD1 4.31Å; L139-Y143 WeakPolarHBondContact O-CB 3.47Å; L139-Y143 PolarHBondContact O-N 3.16Å; G140-Y143 WeakPolarHBondContact O-CB 3.34Å; G140-Y143 PolarHBondContact O-N 3.41Å; F141-Y143 VanDerWaalsContact C-N 3.28Å; F141-Y143 PolarHBondContact O-N 3Å; Y143-Y146 PolarHBondContact O-N 3.41Å; Y143-C147 HydrophobicContact CD1-CB 4.19Å; Y143-C147 HydrophobicContact CE1-CB 3.88Å; Y143-C147 WeakPolarHBondContact O-CB 3.4Å; Y143-C147 PolarHBondContact O-N 2.83Å; Y143-C147 PolarHBondContact O-SG 2.79Å
144	I	96	Very high	95.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.1	-50	174.9	-69.1	155.8	0	0	0	110.4	L124 L128 G140 F141 M142 Y146 C147 I148 F153 W156 Y157	L124-I144 HydrophobicContact CD1-CD1 4.25Å; L124-I144 HydrophobicContact CD1-CG1 4.14Å; L124-I144 HydrophobicContact CD2-CD1 4.15Å; L124-I144 HydrophobicContact CD2-CG1 3.71Å; L124-I144 HydrophobicContact CG-CD1 4.36Å; L124-I144 HydrophobicContact CG-CG1 4.33Å; L128-I144 HydrophobicContact CD1-CD1 3.78Å; L128-I144 HydrophobicContact CD2-CD1 3.98Å; L128-I144 HydrophobicContact CG-CD1 4.4Å; G140-I144 PolarHBondContact O-N 3.36Å; F141-I144 HydrophobicContact CD1-CD1 4.47Å; F141-I144 WeakPolarHBondContact O-CB 3.27Å; F141-I144 PolarHBondContact O-N 2.9Å; F141-I144 VanDerWaalsContact O-N 3.13Å; M142-I144 VanDerWaalsContact C-N 3.31Å; M142-I144 PolarHBondContact O-N 2.8Å; I144-Y146 PolarHBondContact O-N 3.34Å; I144-Y146 VanDerWaalsContact O-N 3.13Å; I144-C147 PolarHBondContact O-N 3.24Å; I144-I148 HydrophobicContact CB-CG1 4.28Å; I144-I148 HydrophobicContact CG1-CG1 4.16Å; I144-I148 HydrophobicContact CG2-CB 4.08Å; I144-I148 HydrophobicContact CG2-CG1 4.28Å; I144-I148 HydrophobicContact CG2-CG2 4.41Å; I144-I148 WeakPolarHBondContact O-CB 3.4Å; I144-I148 PolarHBondContact O-N 3.4Å; I144-F153 HydrophobicContact CG2-CD1 3.78Å; I144-F153 HydrophobicContact CG2-CE1 4.08Å; I144-F153 VanDerWaalsContact O-CE1 3.25Å; I144-F153 WeakPolarHBondContact O-CE1 3.36Å; I144-W156 HydrophobicContact CD1-CB 3.79Å; I144-W156 HydrophobicContact CD1-CD2 3.96Å; I144-W156 HydrophobicContact CD1-CE3 4.07Å; I144-W156 HydrophobicContact CD1-CG 3.88Å; I144-W156 HydrophobicContact CG1-CD2 4.45Å; I144-W156 HydrophobicContact CG1-CG 4.3Å; I144-W156 HydrophobicContact CG2-CB 4.22Å; I144-W156 HydrophobicContact CG2-CG 4.35Å; I144-Y157 HydrophobicContact CB-CE1 3.91Å; I144-Y157 HydrophobicContact CD1-CE1 4.01Å; I144-Y157 HydrophobicContact CG2-CE1 3.69Å
145	R	95.8	Very high	95.4	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-57.8	-31.3	-176.8	-172.9	57.9	-173.9	80.6	-2.2	113.7	F141 M142 Y157 W186 F197 P198	F141-R145 PolarHBondContact O-N 3.13Å; M142-R145 WeakPolarHBondContact O-CB 3.45Å; M142-R145 PolarHBondContact O-N 2.82Å; M142-R145 VanDerWaalsContact O-N 3.16Å; R145-Y157 WeakPolarHBondContact CB-OH 3.46Å; R145-Y157 PolarHBondContact N-OH 3.21Å; R145-W186 HydrophobicContact CB-CE3 4.48Å; R145-W186 HydrophobicContact CG-CB 4.45Å; R145-W186 PolarHBondContact NE-O 2.63Å; R145-F197 HydrophobicContact CG-CD1 3.65Å; R145-F197 HydrophobicContact CG-CE1 3.88Å; R145-F197 HydrophobicContact CG-CG 4.02Å; R145-F197 HydrophobicContact CG-CZ 4.41Å; R145-F197 VanDerWaalsContact CZ-CB 3.49Å; R145-F197 VanDerWaalsContact NH2-CB 3.31Å; R145-P198 PolarHBondContact NH1-O 2.97Å; R145-P198 PolarHBondContact NH2-O 3.45Å
146	Y	95.5	Very high	95.3	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-92.9	-39.2	179.5	-81.5	-73.8	0	0	0	114.1	M35 N36 L37 Y108 L111 M142 Y143 I144 F197 P198	M35-Y146 HydrophobicContact CE-CD1 4.33Å; M35-Y146 HydrophobicContact CE-CD2 3.93Å; M35-Y146 HydrophobicContact CE-CG 3.75Å; N36-Y146 PolarHBondContact ND2-O 3.02Å; L37-Y146 HydrophobicContact CD2-CD1 4.21Å; L37-Y146 HydrophobicContact CD2-CE1 3.85Å; L37-Y146 HydrophobicContact CD2-CE2 4.32Å; Y108-Y146 HydrophobicContact CE1-CE2 4.3Å; Y108-Y146 PolarHBondContact OH-OH 2.9Å; Y108-Y146 VanDerWaalsContact OH-OH 3.05Å; L111-Y146 HydrophobicContact CD2-CD2 4.04Å; L111-Y146 HydrophobicContact CD2-CE2 4.19Å; M142-Y146 HydrophobicContact CG-CD2 3.82Å; M142-Y146 HydrophobicContact CG-CE2 3.73Å; M142-Y146 WeakPolarHBondContact O-CD2 3.02Å; M142-Y146 PolarHBondContact O-N 2.94Å; M142-Y146 VanDerWaalsContact O-N 3.13Å; M142-Y146 HydrophobicContact SD-CE2 4.19Å; Y143-Y146 PolarHBondContact O-N 3.41Å; I144-Y146 PolarHBondContact O-N 3.34Å; I144-Y146 VanDerWaalsContact O-N 3.13Å; Y146-F197 HydrophobicContact CD2-CD1 4.42Å; Y146-F197 HydrophobicContact CD2-CE1 4.31Å; Y146-F197 HydrophobicContact CE1-CD1 4.08Å; Y146-F197 AromaticContact CE2-CD1 3.77Å; Y146-F197 HydrophobicContact CE2-CD1 3.77Å; Y146-F197 AromaticContact CE2-CE1 3.54Å; Y146-F197 HydrophobicContact CE2-CE1 3.54Å; Y146-F197 AromaticContact CZ-CD1 3.56Å; Y146-F197 AromaticContact CZ-CE1 3.72Å; Y146-P198 HydrophobicContact CD1-CG 3.76Å; Y146-P198 HydrophobicContact CE1-CG 4.17Å
147	C	93.2	Very high	95.2	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-106.2	-25	-163.7	-53.1	0	0	0	0	114.5	L28 W29 M35 Y143 I144	L28-C147 CarbonylContact C-O 3.51Å; L28-C147 WeakPolarHBondContact CA-O 3.28Å; L28-C147 HydrophobicContact CD2-CB 4.01Å; W29-C147 PolarHBondContact N-O 3.12Å; M35-C147 WeakPolarHBondContact CG-SG 3.43Å; Y143-C147 HydrophobicContact CD1-CB 4.19Å; Y143-C147 HydrophobicContact CE1-CB 3.88Å; Y143-C147 WeakPolarHBondContact O-CB 3.4Å; Y143-C147 PolarHBondContact O-N 2.83Å; Y143-C147 PolarHBondContact O-SG 2.79Å; I144-C147 PolarHBondContact O-N 3.24Å
148	I	93.8	Very high	95	Very high	3 Å²	3	13 Å²	13	2%	0.015	6%	0.059	C	C	.	.	S	Bend	trans	-95.2	146.1	-170.2	-61.3	-60	0	0	0	109.3	L26 I144 D152 F153	L26-I148 HydrophobicContact CB-CD1 4.22Å; L26-I148 HydrophobicContact CD1-CD1 4.43Å; L26-I148 HydrophobicContact CD2-CD1 4.24Å; I144-I148 HydrophobicContact CB-CG1 4.28Å; I144-I148 HydrophobicContact CG1-CG1 4.16Å; I144-I148 HydrophobicContact CG2-CB 4.08Å; I144-I148 HydrophobicContact CG2-CG1 4.28Å; I144-I148 HydrophobicContact CG2-CG2 4.41Å; I144-I148 WeakPolarHBondContact O-CB 3.4Å; I144-I148 PolarHBondContact O-N 3.4Å; I148-D152 HydrophobicContact CG2-CB 3.86Å; I148-F153 HydrophobicContact CB-CE1 4.32Å; I148-F153 WeakPolarHBondContact O-CE1 3.43Å
149	P	93.8	Very high	94.8	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.013	9%	0.088	C	C	.	.			trans	-51.8	132	172.3	-25.6	30.2	0	0	0	111.3	K27 W29 E151 D152	K27-P149 HydrophobicContact CB-CG 4.41Å; K27-P149 HydrophobicContact CD-CG 3.9Å; K27-P149 HydrophobicContact CG-CG 3.94Å; K27-P149 WeakPolarHBondContact O-CD 3.5Å; W29-P149 HydrophobicContact CB-CB 4.36Å; W29-P149 HydrophobicContact CB-CG 3.99Å; P149-E151 WeakPolarHBondContact CB-OE2 3.24Å; P149-E151 PolarHBondContact O-N 3.43Å; P149-D152 PolarHBondContact O-N 2.89Å
150	P	93.9	Very high	94.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-58.1	-24.2	-177.7	-26.3	35.2	0	0	0	114.4	W29 D152 F153 I200 V204	W29-P150 HydrophobicContact CE3-CG 4.48Å; W29-P150 HydrophobicContact CH2-CG 4.32Å; W29-P150 HydrophobicContact CZ2-CG 4.36Å; W29-P150 HydrophobicContact CZ3-CG 4.38Å; P150-D152 PolarHBondContact O-N 3.34Å; P150-F153 HydrophobicContact CB-CD2 4.2Å; P150-F153 HydrophobicContact CB-CE2 3.96Å; P150-F153 HydrophobicContact CB-CZ 4.19Å; P150-F153 HydrophobicContact CG-CE2 4.38Å; P150-F153 HydrophobicContact CG-CZ 4.24Å; P150-F153 WeakPolarHBondContact O-CB 3.49Å; P150-F153 WeakPolarHBondContact O-CG 3.21Å; P150-F153 PolarHBondContact O-N 2.97Å; P150-I200 HydrophobicContact CB-CG2 3.98Å; P150-V204 HydrophobicContact CB-CG1 4.01Å; P150-V204 WeakPolarHBondContact O-CG1 3.32Å
151	E	92.9	Very high	94.4	Very high	107 Å²	107	19.1 Å²	19.1	50%	0.5	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-60.8	-33.1	176.4	-60.3	76.5	-164.7	0	0	112.3	P149 V204	P149-E151 WeakPolarHBondContact CB-OE2 3.24Å; P149-E151 PolarHBondContact O-N 3.43Å; E151-V204 HydrophobicContact CG-CG2 3.96Å
152	D	93.7	Very high	94	Very high	31 Å²	31	24.4 Å²	24.4	17%	0.166	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-89.3	-6.7	-175.9	-61.1	-20.1	0	0	0	112.2	P21 I148 P149 P150 W154 W155 W156	P21-D152 HydrophobicContact CG-CB 4.21Å; P21-D152 WeakPolarHBondContact CG-OD2 3.38Å; I148-D152 HydrophobicContact CG2-CB 3.86Å; P149-D152 PolarHBondContact O-N 2.89Å; P150-D152 PolarHBondContact O-N 3.34Å; D152-W154 VanDerWaalsContact C-N 3.29Å; D152-W154 PolarHBondContact O-N 3.09Å; D152-W155 WeakPolarHBondContact O-CB 3.32Å; D152-W155 PolarHBondContact O-N 2.97Å; D152-W155 VanDerWaalsContact O-N 3.15Å; D152-W156 VanDerWaalsContact O-CD1 3.3Å; D152-W156 PolarHBondContact O-N 3.45Å
153	F	94.9	Very high	93.9	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-55.9	-43.3	-176.8	-74.5	-2.8	0	0	0	112.5	I144 I148 P150 W155 W156 Y157 L187 I200 L208	I144-F153 HydrophobicContact CG2-CD1 3.78Å; I144-F153 HydrophobicContact CG2-CE1 4.08Å; I144-F153 VanDerWaalsContact O-CE1 3.25Å; I144-F153 WeakPolarHBondContact O-CE1 3.36Å; I148-F153 HydrophobicContact CB-CE1 4.32Å; I148-F153 WeakPolarHBondContact O-CE1 3.43Å; P150-F153 HydrophobicContact CB-CD2 4.2Å; P150-F153 HydrophobicContact CB-CE2 3.96Å; P150-F153 HydrophobicContact CB-CZ 4.19Å; P150-F153 HydrophobicContact CG-CE2 4.38Å; P150-F153 HydrophobicContact CG-CZ 4.24Å; P150-F153 WeakPolarHBondContact O-CB 3.49Å; P150-F153 WeakPolarHBondContact O-CG 3.21Å; P150-F153 PolarHBondContact O-N 2.97Å; F153-W155 VanDerWaalsContact C-N 3.32Å; F153-W155 PolarHBondContact O-N 3.49Å; F153-W156 PolarHBondContact O-N 3.43Å; F153-Y157 HydrophobicContact CB-CD2 4.35Å; F153-Y157 HydrophobicContact CB-CE2 4.32Å; F153-Y157 HydrophobicContact CG-CE2 4.45Å; F153-Y157 WeakPolarHBondContact O-CB 3.24Å; F153-Y157 PolarHBondContact O-N 3.13Å; F153-L187 HydrophobicContact CB-CD2 4.3Å; F153-L187 HydrophobicContact CD2-CD2 3.72Å; F153-L187 HydrophobicContact CE2-CD2 4.5Å; F153-L187 HydrophobicContact CG-CD2 4.4Å; F153-I200 HydrophobicContact CD2-CD1 4.11Å; F153-I200 HydrophobicContact CE2-CD1 3.91Å; F153-I200 HydrophobicContact CE2-CG1 4Å; F153-L208 HydrophobicContact CB-CD2 4.37Å; F153-L208 HydrophobicContact CD2-CD1 4.39Å
154	W	94.2	Very high	93.8	Very high	12 Å²	12	30.6 Å²	30.6	5%	0.045	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-44	-179.6	-173.6	-98.7	0	0	0	111.9	D152 W156 Y157 S158 W161 L208 K211 M212 R215	D152-W154 VanDerWaalsContact C-N 3.29Å; D152-W154 PolarHBondContact O-N 3.09Å; W154-W156 VanDerWaalsContact C-N 3.25Å; W154-W156 PolarHBondContact O-N 2.99Å; W154-Y157 PolarHBondContact O-N 3.35Å; W154-S158 WeakPolarHBondContact O-CB 3.21Å; W154-S158 PolarHBondContact O-N 3.19Å; W154-W161 HydrophobicContact CZ3-CE3 4.47Å; W154-L208 HydrophobicContact CB-CD2 3.78Å; W154-L208 HydrophobicContact CE3-CD2 4.06Å; W154-K211 HydrophobicContact CB-CD 4.17Å; W154-K211 HydrophobicContact CD2-CB 3.76Å; W154-K211 HydrophobicContact CD2-CD 3.48Å; W154-K211 VanDerWaalsContact CD2-CD 3.48Å; W154-K211 HydrophobicContact CD2-CG 4.27Å; W154-K211 HydrophobicContact CE3-CB 3.77Å; W154-K211 HydrophobicContact CE3-CD 4.2Å; W154-K211 HydrophobicContact CG-CD 3.41Å; W154-K211 VanDerWaalsContact CG-CD 3.41Å; W154-K211 VanDerWaalsContact CH2-C 3.49Å; W154-K211 HydrophobicContact CH2-CB 3.64Å; W154-K211 HydrophobicContact CZ2-CB 3.64Å; W154-K211 HydrophobicContact CZ2-CD 4.4Å; W154-K211 HydrophobicContact CZ3-CB 3.72Å; W154-M212 HydrophobicContact CH2-CG 4.49Å; W154-M212 HydrophobicContact CZ3-CG 3.77Å; W154-R215 HydrophobicContact CH2-CB 4.5Å; W154-R215 HydrophobicContact CH2-CG 3.72Å; W154-R215 HydrophobicContact CZ2-CG 3.72Å
155	W	93	Very high	93.7	Very high	83 Å²	83	33.3 Å²	33.3	31%	0.314	19%	0.185	S	C	.	.	H	α-helix	trans	-59.7	-40.4	-179	-177.7	85.3	0	0	0	111.2	A20 D152 F153	A20-W155 HydrophobicContact CB-CZ2 4.23Å; D152-W155 WeakPolarHBondContact O-CB 3.32Å; D152-W155 PolarHBondContact O-N 2.97Å; D152-W155 VanDerWaalsContact O-N 3.15Å; F153-W155 VanDerWaalsContact C-N 3.32Å; F153-W155 PolarHBondContact O-N 3.49Å
156	W	94.8	Very high	93.7	Very high	8 Å²	8	39.5 Å²	39.5	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-74.9	-38.9	177.6	-75.1	106.8	0	0	0	114.2	L26 R121 L124 K125 L128 I144 D152 F153 W154 Y160	L26-W156 HydrophobicContact CD2-CH2 4.38Å; L26-W156 HydrophobicContact CD2-CZ2 3.77Å; R121-W156 HydrophobicContact CG-CH2 3.54Å; R121-W156 HydrophobicContact CG-CZ2 3.84Å; L124-W156 HydrophobicContact CB-CH2 4.23Å; L124-W156 HydrophobicContact CD2-CH2 3.72Å; L124-W156 HydrophobicContact CD2-CZ2 3.74Å; L124-W156 HydrophobicContact CD2-CZ3 4.14Å; L124-W156 HydrophobicContact CG-CH2 3.98Å; L124-W156 HydrophobicContact CG-CZ2 4.49Å; L124-W156 HydrophobicContact CG-CZ3 4.08Å; K125-W156 HydrophobicContact CB-CZ3 4.29Å; K125-W156 HydrophobicContact CD-CZ3 4.42Å; L128-W156 HydrophobicContact CD1-CE3 3.55Å; L128-W156 HydrophobicContact CD1-CZ3 3.93Å; I144-W156 HydrophobicContact CD1-CB 3.79Å; I144-W156 HydrophobicContact CD1-CD2 3.96Å; I144-W156 HydrophobicContact CD1-CE3 4.07Å; I144-W156 HydrophobicContact CD1-CG 3.88Å; I144-W156 HydrophobicContact CG1-CD2 4.45Å; I144-W156 HydrophobicContact CG1-CG 4.3Å; I144-W156 HydrophobicContact CG2-CB 4.22Å; I144-W156 HydrophobicContact CG2-CG 4.35Å; D152-W156 VanDerWaalsContact O-CD1 3.3Å; D152-W156 PolarHBondContact O-N 3.45Å; F153-W156 PolarHBondContact O-N 3.43Å; W154-W156 VanDerWaalsContact C-N 3.25Å; W154-W156 PolarHBondContact O-N 2.99Å; W156-Y160 VanDerWaalsContact O-CD2 3.32Å; W156-Y160 WeakPolarHBondContact O-CD2 3.45Å; W156-Y160 WeakPolarHBondContact O-CE2 3.47Å
157	Y	95.5	Very high	93.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-91.1	-26.9	-172.5	-64.9	-18.9	0	0	0	114.3	F141 I144 R145 F153 W154 P159 Y160 W161 L183 L187	F141-Y157 HydrophobicContact CB-CE1 4.17Å; F141-Y157 AromaticContact CD1-CD1 3.72Å; F141-Y157 HydrophobicContact CD1-CD1 3.72Å; F141-Y157 AromaticContact CD1-CE1 3.69Å; F141-Y157 HydrophobicContact CD1-CE1 3.69Å; F141-Y157 HydrophobicContact CE1-CD1 4.25Å; F141-Y157 HydrophobicContact CG-CE1 4.39Å; F141-Y157 PolarHBondContact O-OH 3.1Å; I144-Y157 HydrophobicContact CB-CE1 3.91Å; I144-Y157 HydrophobicContact CD1-CE1 4.01Å; I144-Y157 HydrophobicContact CG2-CE1 3.69Å; R145-Y157 WeakPolarHBondContact CB-OH 3.46Å; R145-Y157 PolarHBondContact N-OH 3.21Å; F153-Y157 HydrophobicContact CB-CD2 4.35Å; F153-Y157 HydrophobicContact CB-CE2 4.32Å; F153-Y157 HydrophobicContact CG-CE2 4.45Å; F153-Y157 WeakPolarHBondContact O-CB 3.24Å; F153-Y157 PolarHBondContact O-N 3.13Å; W154-Y157 PolarHBondContact O-N 3.35Å; Y157-P159 VanDerWaalsContact C-N 3.32Å; Y157-Y160 PolarHBondContact O-N 2.82Å; Y157-W161 PolarHBondContact O-N 2.88Å; Y157-L183 HydrophobicContact CD1-CD1 4.32Å; Y157-L183 HydrophobicContact CD1-CD2 3.96Å; Y157-L183 HydrophobicContact CE1-CD2 3.95Å; Y157-L183 HydrophobicContact CE2-CD2 4.5Å; Y157-L183 HydrophobicContact CG-CD1 4.35Å; Y157-L183 HydrophobicContact CG-CD2 4.26Å; Y157-L187 HydrophobicContact CD2-CD1 3.98Å; Y157-L187 HydrophobicContact CD2-CD2 3.9Å; Y157-L187 HydrophobicContact CD2-CG 4.01Å; Y157-L187 HydrophobicContact CE2-CD2 3.7Å; Y157-L187 HydrophobicContact CE2-CG 4.13Å
158	S	92.9	Very high	93.8	Very high	17 Å²	17	41.1 Å²	41.1	12%	0.119	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52.3	-40.5	-176.5	-175.4	0	0	0	0	114	W154 Y160 W161 R215	W154-S158 WeakPolarHBondContact O-CB 3.21Å; W154-S158 PolarHBondContact O-N 3.19Å; S158-Y160 PolarHBondContact O-N 2.86Å; S158-W161 PolarHBondContact O-N 3.24Å; S158-R215 PolarHBondContact OG-NH2 2.93Å
159	P	93.2	Very high	93.8	Very high	91 Å²	91	41 Å²	41	59%	0.591	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-65.8	-24.1	179.2	-23	35.4	0	0	0	114.4	Y157	Y157-P159 VanDerWaalsContact C-N 3.32Å
160	Y	94.7	Very high	93.7	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.047	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-106.4	8.6	-173.8	-50.9	-82.2	0	0	0	112.7	K125 L128 D129 R137 F141 W156 Y157 S158 S162 D163	K125-Y160 PolarHBondContact NZ-OH 3.4Å; L128-Y160 HydrophobicContact CB-CE1 4.31Å; L128-Y160 HydrophobicContact CB-CE2 4.05Å; L128-Y160 VanDerWaalsContact CB-OH 3.23Å; L128-Y160 WeakPolarHBondContact CB-OH 3.49Å; L128-Y160 HydrophobicContact CD1-CE2 3.8Å; D129-Y160 WeakPolarHBondContact OD1-CE1 3.4Å; D129-Y160 VanDerWaalsContact OD1-CZ 3.23Å; D129-Y160 PolarHBondContact OD1-OH 2.71Å; D129-Y160 PolarHBondContact OD2-OH 3.27Å; R137-Y160 VanDerWaalsContact NH2-CD1 3.33Å; F141-Y160 HydrophobicContact CE1-CD1 4.44Å; F141-Y160 AromaticContact CE1-CD2 3.41Å; F141-Y160 HydrophobicContact CE1-CD2 3.41Å; F141-Y160 VanDerWaalsContact CE1-CD2 3.41Å; F141-Y160 AromaticContact CE1-CE2 3.82Å; F141-Y160 HydrophobicContact CE1-CE2 3.82Å; F141-Y160 AromaticContact CE1-CG 3.74Å; F141-Y160 HydrophobicContact CE1-CG 3.74Å; F141-Y160 AromaticContact CZ-CD1 3.77Å; F141-Y160 HydrophobicContact CZ-CD1 3.77Å; F141-Y160 AromaticContact CZ-CD2 3.59Å; F141-Y160 HydrophobicContact CZ-CD2 3.59Å; F141-Y160 HydrophobicContact CZ-CE1 4.18Å; F141-Y160 HydrophobicContact CZ-CE2 4.02Å; F141-Y160 AromaticContact CZ-CG 3.41Å; F141-Y160 HydrophobicContact CZ-CG 3.41Å; F141-Y160 VanDerWaalsContact CZ-CG 3.41Å; W156-Y160 VanDerWaalsContact O-CD2 3.32Å; W156-Y160 WeakPolarHBondContact O-CD2 3.45Å; W156-Y160 WeakPolarHBondContact O-CE2 3.47Å; Y157-Y160 PolarHBondContact O-N 2.82Å; S158-Y160 PolarHBondContact O-N 2.86Å; Y160-S162 PolarHBondContact O-N 3.02Å; Y160-D163 WeakPolarHBondContact O-CB 3.48Å; Y160-D163 PolarHBondContact O-N 3.36Å; Y160-D163 VanDerWaalsContact O-N 3.1Å
161	W	90.3	Very high	93.4	Very high	27 Å²	27	45 Å²	45	10%	0.102	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34	-175.2	-162.5	-95.1	0	0	0	112.8	W154 Y157 S158 G180 L183 E184 L187 M212	W154-W161 HydrophobicContact CZ3-CE3 4.47Å; Y157-W161 PolarHBondContact O-N 2.88Å; S158-W161 PolarHBondContact O-N 3.24Å; W161-G180 WeakPolarHBondContact O-CA 3.37Å; W161-L183 HydrophobicContact CZ3-CB 4.4Å; W161-E184 HydrophobicContact CH2-CB 3.78Å; W161-E184 HydrophobicContact CH2-CG 4.12Å; W161-E184 HydrophobicContact CZ2-CB 3.87Å; W161-E184 HydrophobicContact CZ2-CG 4Å; W161-L187 HydrophobicContact CH2-CD1 4.22Å; W161-L187 HydrophobicContact CZ3-CD1 3.89Å; W161-M212 HydrophobicContact CH2-CB 4.47Å; W161-M212 HydrophobicContact CH2-CG 3.43Å; W161-M212 VanDerWaalsContact CH2-CG 3.43Å; W161-M212 HydrophobicContact CH2-SD 3.24Å; W161-M212 WeakPolarHBondContact CH2-SD 3.42Å; W161-M212 HydrophobicContact CZ2-CB 4.1Å; W161-M212 HydrophobicContact CZ2-CG 3.51Å; W161-M212 HydrophobicContact CZ2-SD 3.69Å; W161-M212 HydrophobicContact CZ3-CG 4.2Å; W161-M212 HydrophobicContact CZ3-SD 4.22Å
162	S	89.8	Confident	93	Very high	111 Å²	111	42.7 Å²	42.7	78%	0.776	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	17.1	179.1	-58.8	0	0	0	0	112.9	Y160 S164	Y160-S162 PolarHBondContact O-N 3.02Å; S162-S164 PolarHBondContact O-N 3.25Å
163	D	93.4	Very high	92.7	Very high	33 Å²	33	42.7 Å²	42.7	18%	0.176	25%	0.252	C	S	.	.			trans	-72.5	119.6	-179	-163.1	-37.6	0	0	0	111.3	R137 Y160 E165 I179 G180	R137-D163 IonicContact CZ-OD2 2.71Å; R137-D163 IonicContact NH1-OD1 3.94Å; R137-D163 IonicContact NH1-OD2 3.16Å; R137-D163 PolarHBondContact NH1-OD2 2.95Å; R137-D163 IonicContact NH2-OD2 3.36Å; R137-D163 PolarHBondContact NH2-OD2 3.21Å; Y160-D163 WeakPolarHBondContact O-CB 3.48Å; Y160-D163 PolarHBondContact O-N 3.36Å; Y160-D163 VanDerWaalsContact O-N 3.1Å; D163-E165 VanDerWaalsContact OD1-CB 3.28Å; D163-E165 WeakPolarHBondContact OD1-CB 3.45Å; D163-E165 PolarHBondContact OD1-N 3.27Å; D163-I179 HydrophobicContact CB-CB 4Å; D163-I179 HydrophobicContact CB-CG2 3.97Å; D163-G180 PolarHBondContact O-N 3.08Å
164	S	94.2	Very high	92.3	Very high	97 Å²	97	46.1 Å²	46.1	68%	0.678	29%	0.289	S	S	*	.			trans	-94.9	5.2	-177.2	63.8	0	0	0	0	113.9	S162 E166	S162-S164 PolarHBondContact O-N 3.25Å; S164-E166 PolarHBondContact O-N 3.39Å
165	E	95.3	Very high	92.1	Very high	57 Å²	57	47.6 Å²	47.6	27%	0.266	30%	0.3	S	S	.	.			trans	-64.1	130.6	176.1	-168.7	178.7	-152.2	0	0	110.5	P134 R137 D163 T178 I179	P134-E165 HydrophobicContact CB-CG 4.03Å; R137-E165 WeakPolarHBondContact CD-OE2 3.14Å; R137-E165 IonicContact CZ-OE2 3.81Å; R137-E165 IonicContact NE-OE2 3.42Å; R137-E165 IonicContact NH1-OE2 3.5Å; R137-E165 PolarHBondContact NH1-OE2 3.4Å; D163-E165 VanDerWaalsContact OD1-CB 3.28Å; D163-E165 WeakPolarHBondContact OD1-CB 3.45Å; D163-E165 PolarHBondContact OD1-N 3.27Å; E165-T178 CarbonylContact O-C 3.46Å; E165-T178 WeakPolarHBondContact O-CA 3.49Å; E165-I179 HydrophobicContact CB-CG1 4.11Å; E165-I179 PolarHBondContact O-N 2.88Å
166	E	95.7	Very high	92.1	Very high	133 Å²	133	48.9 Å²	48.9	62%	0.621	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	144.2	-176.2	-65.1	-173.6	153.5	0	0	111.7	S164 I176 M177 T178	S164-E166 PolarHBondContact O-N 3.39Å; E166-I176 HydrophobicContact CB-CG2 4.01Å; E166-I176 HydrophobicContact CG-CG2 4.44Å; E166-M177 WeakPolarHBondContact CA-O 3.46Å; E166-T178 HydrophobicContact CG-CG2 4.12Å
167	L	95.2	Very high	92.1	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.4	171.3	68.4	166.1	0	0	0	111.4	L75 P134 Y135 A138 V169 I176 M177 I179 M182	L75-L167 HydrophobicContact CD1-CD1 3.55Å; L75-L167 HydrophobicContact CG-CD1 4.45Å; P134-L167 HydrophobicContact CB-CB 3.98Å; P134-L167 HydrophobicContact CG-CB 4.1Å; Y135-L167 HydrophobicContact CD1-CD1 4.47Å; A138-L167 HydrophobicContact CB-CD1 3.61Å; L167-V169 HydrophobicContact CD1-CG1 4.29Å; L167-V169 HydrophobicContact CG-CG1 4.08Å; L167-I176 WeakPolarHBondContact O-CA 3.46Å; L167-M177 WeakPolarHBondContact CD2-O 3.5Å; L167-M177 PolarHBondContact N-O 3.17Å; L167-M177 PolarHBondContact O-N 3.38Å; L167-I179 HydrophobicContact CD1-CD1 4.25Å; L167-I179 HydrophobicContact CD2-CD1 3.56Å; L167-I179 HydrophobicContact CD2-CG1 4.02Å; L167-M182 HydrophobicContact CD1-SD 4.15Å; L167-M182 HydrophobicContact CD2-SD 4.41Å
168	D	94.9	Very high	92.2	Very high	32 Å²	32	51.4 Å²	51.4	17%	0.171	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114.6	171.6	-158.3	-30.3	0	0	0	109.6	Y135 K170 G173 G174 C175 I176	Y135-D168 WeakPolarHBondContact CE1-O 3.38Å; Y135-D168 PolarHBondContact OH-N 3.42Å; Y135-D168 PolarHBondContact OH-O 3.04Å; D168-K170 PolarHBondContact OD1-N 3.28Å; D168-K170 VanDerWaalsContact OD1-N 3.09Å; D168-G173 WeakPolarHBondContact OD2-CA 3.31Å; D168-G174 PolarHBondContact OD2-N 3.46Å; D168-C175 PolarHBondContact OD1-N 2.95Å; D168-C175 VanDerWaalsContact OD1-N 3.14Å; D168-I176 HydrophobicContact CB-CG1 4.31Å
169	V	93.7	Very high	92.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	32%	0.321	C	S	.	.			trans	-86.8	-14.3	-176.3	-60.2	0	0	0	0	112.5	L75 E76 L167 C175 M177 M182 W192 F193	L75-V169 HydrophobicContact CB-CB 4.36Å; L75-V169 HydrophobicContact CD1-CG1 4.08Å; L75-V169 PolarHBondContact N-O 3.26Å; E76-V169 WeakPolarHBondContact CG-O 3.37Å; E76-V169 PolarHBondContact N-O 2.81Å; L167-V169 HydrophobicContact CD1-CG1 4.29Å; L167-V169 HydrophobicContact CG-CG1 4.08Å; V169-C175 HydrophobicContact CG2-CB 3.91Å; V169-C175 VanDerWaalsContact CG2-O 3.29Å; V169-C175 WeakPolarHBondContact CG2-O 3.34Å; V169-C175 PolarHBondContact N-O 3.49Å; V169-M177 HydrophobicContact CB-CE 4.49Å; V169-M177 HydrophobicContact CB-SD 4.49Å; V169-M177 HydrophobicContact CG1-CE 4.3Å; V169-M177 HydrophobicContact CG1-CG 3.71Å; V169-M177 HydrophobicContact CG1-SD 3.72Å; V169-M177 HydrophobicContact CG2-CE 3.44Å; V169-M177 VanDerWaalsContact CG2-CE 3.44Å; V169-M177 HydrophobicContact CG2-CG 4.36Å; V169-M177 HydrophobicContact CG2-SD 4.01Å; V169-M182 HydrophobicContact CG1-SD 4.33Å; V169-W192 HydrophobicContact CB-CH2 3.99Å; V169-W192 HydrophobicContact CB-CZ2 4.17Å; V169-W192 HydrophobicContact CG1-CH2 4.09Å; V169-W192 HydrophobicContact CG1-CZ2 4.47Å; V169-W192 HydrophobicContact CG2-CH2 4.16Å; V169-F193 HydrophobicContact CB-CE2 4.17Å; V169-F193 HydrophobicContact CB-CZ 4.35Å; V169-F193 HydrophobicContact CG2-CE2 3.81Å; V169-F193 HydrophobicContact CG2-CZ 3.59Å
170	K	92	Very high	92.4	Very high	80 Å²	80	46.5 Å²	46.5	35%	0.348	30%	0.295	S	S	.	.	S	Bend	trans	-96.3	135.4	-170	167.9	157.4	-151.6	71.7	0	112.7	E76 D168 G172 G173 C175 F193	E76-K170 WeakPolarHBondContact OE1-CA 3.49Å; E76-K170 WeakPolarHBondContact OE1-CB 3.32Å; E76-K170 WeakPolarHBondContact OE1-CG 3.37Å; E76-K170 IonicContact OE1-NZ 3.13Å; E76-K170 PolarHBondContact OE1-NZ 3.39Å; E76-K170 IonicContact OE2-NZ 3.75Å; D168-K170 PolarHBondContact OD1-N 3.28Å; D168-K170 VanDerWaalsContact OD1-N 3.09Å; K170-G172 PolarHBondContact O-N 2.98Å; K170-G173 WeakPolarHBondContact CG-O 3.33Å; K170-G173 WeakPolarHBondContact O-CA 3.4Å; K170-G173 PolarHBondContact O-N 2.9Å; K170-C175 HydrophobicContact CB-CB 3.48Å; K170-C175 VanDerWaalsContact CB-CB 3.48Å; K170-C175 HydrophobicContact CD-CB 4.31Å; K170-C175 HydrophobicContact CG-CB 4.49Å; K170-F193 HydrophobicContact CB-CE1 4.38Å; K170-F193 HydrophobicContact CB-CZ 4.41Å
171	A	87.1	Confident	92.4	Very high	6 Å²	6	50.5 Å²	50.5	5%	0.05	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	119.1	172.1	0	0	0	0	0	110.6	E76 R80 G173	E76-A171 HydrophobicContact CB-CB 4.5Å; E76-A171 HydrophobicContact CG-CB 4.34Å; E76-A171 PolarHBondContact OE1-N 3.18Å; R80-A171 HydrophobicContact CB-CB 3.97Å; A171-G173 VanDerWaalsContact C-N 3.33Å
172	G	84.5	Confident	92.6	Very high	60 Å²	60	49.2 Å²	49.2	62%	0.619	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	6.1	-172.2	0	0	0	0	0	115.3	K170	K170-G172 PolarHBondContact O-N 2.98Å
173	G	87.5	Confident	92.9	Very high	30 Å²	30	43.9 Å²	43.9	31%	0.309	28%	0.275	S	S	.	.	S	Bend	trans	76.9	177	172.4	0	0	0	0	0	116.3	D168 K170 A171	D168-G173 WeakPolarHBondContact OD2-CA 3.31Å; K170-G173 WeakPolarHBondContact CG-O 3.33Å; K170-G173 WeakPolarHBondContact O-CA 3.4Å; K170-G173 PolarHBondContact O-N 2.9Å; A171-G173 VanDerWaalsContact C-N 3.33Å
174	G	86.7	Confident	92.9	Very high	74 Å²	74	44.8 Å²	44.8	76%	0.763	28%	0.278	S	S	*	.			trans	96.7	9.7	175.4	0	0	0	0	0	114.6	D168	D168-G174 PolarHBondContact OD2-N 3.46Å
175	C	89.8	Confident	92.9	Very high	42 Å²	42	42.8 Å²	42.8	28%	0.284	26%	0.258	S	S	.	.			trans	-126.9	72.8	169.3	-163.6	0	0	0	0	109.6	D168 V169 K170	D168-C175 PolarHBondContact OD1-N 2.95Å; D168-C175 VanDerWaalsContact OD1-N 3.14Å; V169-C175 HydrophobicContact CG2-CB 3.91Å; V169-C175 VanDerWaalsContact CG2-O 3.29Å; V169-C175 WeakPolarHBondContact CG2-O 3.34Å; V169-C175 PolarHBondContact N-O 3.49Å; K170-C175 HydrophobicContact CB-CB 3.48Å; K170-C175 VanDerWaalsContact CB-CB 3.48Å; K170-C175 HydrophobicContact CD-CB 4.31Å; K170-C175 HydrophobicContact CG-CB 4.49Å
176	I	93.7	Very high	92.9	Very high	111 Å²	111	40 Å²	40	57%	0.569	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.7	174.4	-54.5	172.3	0	0	0	108.3	E166 L167 D168	E166-I176 HydrophobicContact CB-CG2 4.01Å; E166-I176 HydrophobicContact CG-CG2 4.44Å; L167-I176 WeakPolarHBondContact O-CA 3.46Å; D168-I176 HydrophobicContact CB-CG1 4.31Å
177	M	94.3	Very high	92.8	Very high	35 Å²	35	34 Å²	34	17%	0.172	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.4	171.7	60.1	-176.6	62.3	0	0	109.7	E166 L167 V169 M182 W192	E166-M177 WeakPolarHBondContact CA-O 3.46Å; L167-M177 WeakPolarHBondContact CD2-O 3.5Å; L167-M177 PolarHBondContact N-O 3.17Å; L167-M177 PolarHBondContact O-N 3.38Å; V169-M177 HydrophobicContact CB-CE 4.49Å; V169-M177 HydrophobicContact CB-SD 4.49Å; V169-M177 HydrophobicContact CG1-CE 4.3Å; V169-M177 HydrophobicContact CG1-CG 3.71Å; V169-M177 HydrophobicContact CG1-SD 3.72Å; V169-M177 HydrophobicContact CG2-CE 3.44Å; V169-M177 VanDerWaalsContact CG2-CE 3.44Å; V169-M177 HydrophobicContact CG2-CG 4.36Å; V169-M177 HydrophobicContact CG2-SD 4.01Å; M177-M182 HydrophobicContact CG-CB 4.2Å; M177-M182 HydrophobicContact SD-CB 3.69Å; M177-M182 HydrophobicContact SD-CG 3.98Å; M177-W192 HydrophobicContact SD-CH2 4.33Å
178	T	96.6	Very high	92.6	Very high	26 Å²	26	36.3 Å²	36.3	16%	0.16	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	156.1	171.6	60.2	0	0	0	0	110.9	E165 E166 G180 N181 M182	E165-T178 CarbonylContact O-C 3.46Å; E165-T178 WeakPolarHBondContact O-CA 3.49Å; E166-T178 HydrophobicContact CG-CG2 4.12Å; T178-G180 VanDerWaalsContact C-N 3.29Å; T178-G180 PolarHBondContact O-N 3.43Å; T178-N181 PolarHBondContact O-N 2.95Å; T178-N181 VanDerWaalsContact O-N 3.17Å; T178-N181 WeakPolarHBondContact OG1-CB 3.39Å; T178-N181 VanDerWaalsContact OG1-CG 3.23Å; T178-N181 PolarHBondContact OG1-N 3.46Å; T178-N181 PolarHBondContact OG1-ND2 3.08Å; T178-M182 WeakPolarHBondContact O-CB 3.43Å; T178-M182 PolarHBondContact O-N 3.12Å
179	I	96.6	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-53.2	-47.1	173.3	-68	-69.8	0	0	0	110.6	A138 F141 D163 E165 L167 N181 M182 L183	A138-I179 HydrophobicContact CB-CD1 4.37Å; F141-I179 HydrophobicContact CD2-CG2 4.22Å; F141-I179 HydrophobicContact CE2-CG2 3.63Å; F141-I179 HydrophobicContact CZ-CG2 4.24Å; D163-I179 HydrophobicContact CB-CB 4Å; D163-I179 HydrophobicContact CB-CG2 3.97Å; E165-I179 HydrophobicContact CB-CG1 4.11Å; E165-I179 PolarHBondContact O-N 2.88Å; L167-I179 HydrophobicContact CD1-CD1 4.25Å; L167-I179 HydrophobicContact CD2-CD1 3.56Å; L167-I179 HydrophobicContact CD2-CG1 4.02Å; I179-N181 PolarHBondContact O-N 3.38Å; I179-M182 HydrophobicContact CD1-CE 3.75Å; I179-M182 WeakPolarHBondContact O-CB 3.49Å; I179-M182 PolarHBondContact O-N 3.42Å; I179-L183 HydrophobicContact CG2-CD1 4.24Å; I179-L183 HydrophobicContact CG2-CG 4.43Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3.39Å
180	G	94.8	Very high	92.5	Very high	4 Å²	4	43.1 Å²	43.1	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-45.3	177.7	0	0	0	0	0	113.2	W161 D163 T178 M182 L183 E184	W161-G180 WeakPolarHBondContact O-CA 3.37Å; D163-G180 PolarHBondContact O-N 3.08Å; T178-G180 VanDerWaalsContact C-N 3.29Å; T178-G180 PolarHBondContact O-N 3.43Å; G180-M182 PolarHBondContact O-N 3.14Å; G180-L183 PolarHBondContact O-N 2.92Å; G180-E184 PolarHBondContact O-N 3.05Å; G180-E184 VanDerWaalsContact O-N 3.08Å
181	N	94.3	Very high	92.5	Very high	96 Å²	96	43.5 Å²	43.5	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-36.2	177.9	-75	-15.6	0	0	0	112.5	T178 I179 E184 H185	T178-N181 PolarHBondContact O-N 2.95Å; T178-N181 VanDerWaalsContact O-N 3.17Å; T178-N181 WeakPolarHBondContact OG1-CB 3.39Å; T178-N181 VanDerWaalsContact OG1-CG 3.23Å; T178-N181 PolarHBondContact OG1-N 3.46Å; T178-N181 PolarHBondContact OG1-ND2 3.08Å; I179-N181 PolarHBondContact O-N 3.38Å; N181-E184 PolarHBondContact O-N 2.93Å; N181-H185 WeakPolarHBondContact O-CB 3.3Å; N181-H185 PolarHBondContact O-N 3.5Å
182	M	95.5	Very high	92.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-45.5	175.8	-178.3	-175.4	68	0	0	111.2	L75 A138 F141 L167 V169 M177 T178 I179 G180 E184 H185 W186 W192	L75-M182 HydrophobicContact CD1-SD 3.73Å; A138-M182 HydrophobicContact CB-CE 3.76Å; A138-M182 HydrophobicContact CB-SD 4.14Å; F141-M182 HydrophobicContact CD2-CE 4.35Å; L167-M182 HydrophobicContact CD1-SD 4.15Å; L167-M182 HydrophobicContact CD2-SD 4.41Å; V169-M182 HydrophobicContact CG1-SD 4.33Å; M177-M182 HydrophobicContact CG-CB 4.2Å; M177-M182 HydrophobicContact SD-CB 3.69Å; M177-M182 HydrophobicContact SD-CG 3.98Å; T178-M182 WeakPolarHBondContact O-CB 3.43Å; T178-M182 PolarHBondContact O-N 3.12Å; I179-M182 HydrophobicContact CD1-CE 3.75Å; I179-M182 WeakPolarHBondContact O-CB 3.49Å; I179-M182 PolarHBondContact O-N 3.42Å; G180-M182 PolarHBondContact O-N 3.14Å; M182-E184 PolarHBondContact O-N 2.86Å; M182-H185 WeakPolarHBondContact O-CB 3.36Å; M182-H185 PolarHBondContact O-N 3.45Å; M182-W186 HydrophobicContact CE-CH2 3.67Å; M182-W186 HydrophobicContact CE-CZ2 4.13Å; M182-W186 HydrophobicContact CE-CZ3 4.01Å; M182-W186 HydrophobicContact CG-CD2 4.2Å; M182-W186 HydrophobicContact CG-CH2 4.14Å; M182-W186 HydrophobicContact CG-CZ2 3.66Å; M182-W186 PolarHBondContact O-N 3.01Å; M182-W186 HydrophobicContact SD-CH2 3.65Å; M182-W186 HydrophobicContact SD-CZ2 3.49Å; M182-W186 WeakPolarHBondContact SD-CZ2 3.47Å; M182-W186 HydrophobicContact SD-CZ3 4.44Å; M182-W192 HydrophobicContact CG-CH2 4.34Å
183	L	95.7	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-42.6	177.2	-64.6	-178.9	0	0	0	111.7	F141 Y157 W161 I179 G180 H185 W186 L187	F141-L183 HydrophobicContact CB-CD2 3.67Å; F141-L183 HydrophobicContact CD1-CD1 4.24Å; F141-L183 HydrophobicContact CD1-CD2 3.78Å; F141-L183 HydrophobicContact CD2-CD2 4.16Å; F141-L183 HydrophobicContact CE1-CD1 4.1Å; F141-L183 HydrophobicContact CE1-CD2 4.46Å; F141-L183 HydrophobicContact CG-CD2 3.63Å; F141-L183 HydrophobicContact CZ-CD1 4.35Å; Y157-L183 HydrophobicContact CD1-CD1 4.32Å; Y157-L183 HydrophobicContact CD1-CD2 3.96Å; Y157-L183 HydrophobicContact CE1-CD2 3.95Å; Y157-L183 HydrophobicContact CE2-CD2 4.5Å; Y157-L183 HydrophobicContact CG-CD1 4.35Å; Y157-L183 HydrophobicContact CG-CD2 4.26Å; W161-L183 HydrophobicContact CZ3-CB 4.4Å; I179-L183 HydrophobicContact CG2-CD1 4.24Å; I179-L183 HydrophobicContact CG2-CG 4.43Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3.39Å; G180-L183 PolarHBondContact O-N 2.92Å; L183-H185 VanDerWaalsContact C-N 3.3Å; L183-H185 PolarHBondContact O-N 3.43Å; L183-W186 HydrophobicContact CD2-CE3 4.16Å; L183-W186 HydrophobicContact CD2-CZ3 4.32Å; L183-W186 PolarHBondContact O-N 3.37Å; L183-L187 PolarHBondContact O-N 3Å; L183-L187 VanDerWaalsContact O-N 3.14Å
184	E	93.5	Very high	92.6	Very high	51 Å²	51	44.6 Å²	44.6	24%	0.238	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-44.2	173.3	-175.1	179.1	155.3	0	0	111.5	W161 G180 N181 M182 W186 L187 T188 K216	W161-E184 HydrophobicContact CH2-CB 3.78Å; W161-E184 HydrophobicContact CH2-CG 4.12Å; W161-E184 HydrophobicContact CZ2-CB 3.87Å; W161-E184 HydrophobicContact CZ2-CG 4Å; G180-E184 PolarHBondContact O-N 3.05Å; G180-E184 VanDerWaalsContact O-N 3.08Å; N181-E184 PolarHBondContact O-N 2.93Å; M182-E184 PolarHBondContact O-N 2.86Å; E184-W186 PolarHBondContact O-N 3.14Å; E184-L187 PolarHBondContact O-N 3.46Å; E184-T188 HydrophobicContact CG-CG2 4.17Å; E184-T188 WeakPolarHBondContact O-CB 3.46Å; E184-T188 WeakPolarHBondContact O-CG2 3.41Å; E184-T188 PolarHBondContact O-N 3.32Å; E184-T188 PolarHBondContact O-OG1 3.18Å; E184-K216 IonicContact OE1-NZ 3.55Å; E184-K216 PolarHBondContact OE1-NZ 3.38Å; E184-K216 WeakPolarHBondContact OE2-CE 2.89Å; E184-K216 IonicContact OE2-NZ 3.87Å; E184-K216 PolarHBondContact OE2-NZ 3.5Å
185	H	93.7	Very high	92.5	Very high	55 Å²	55	41.4 Å²	41.4	26%	0.255	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-46.3	178	-169	89.4	0	0	0	112	N181 M182 L183 L187 T188 K189 D191 W192	N181-H185 WeakPolarHBondContact O-CB 3.3Å; N181-H185 PolarHBondContact O-N 3.5Å; M182-H185 WeakPolarHBondContact O-CB 3.36Å; M182-H185 PolarHBondContact O-N 3.45Å; L183-H185 VanDerWaalsContact C-N 3.3Å; L183-H185 PolarHBondContact O-N 3.43Å; H185-L187 VanDerWaalsContact C-N 3.32Å; H185-L187 PolarHBondContact O-N 2.92Å; H185-T188 PolarHBondContact O-N 3.43Å; H185-T188 PolarHBondContact O-OG1 3.38Å; H185-K189 PolarHBondContact O-N 3.39Å; H185-D191 PolarHBondContact NE2-O 2.72Å; H185-W192 AromaticContact CD2-CE3 3.72Å; H185-W192 AromaticContact CD2-CZ3 3.74Å
186	W	94.5	Very high	92.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-26.2	-178.5	-68.8	-6.5	0	0	0	114.7	F141 M142 R145 M182 L183 E184 W192 F197	F141-W186 HydrophobicContact CB-CE3 4.42Å; F141-W186 HydrophobicContact CB-CH2 4.37Å; F141-W186 HydrophobicContact CB-CZ3 3.57Å; M142-W186 HydrophobicContact CB-CH2 3.69Å; M142-W186 HydrophobicContact CB-CZ2 4.44Å; M142-W186 HydrophobicContact CB-CZ3 3.99Å; M142-W186 HydrophobicContact CE-CH2 3.83Å; M142-W186 HydrophobicContact CE-CZ2 3.43Å; M142-W186 VanDerWaalsContact CE-CZ2 3.43Å; M142-W186 HydrophobicContact CG-CH2 4.29Å; M142-W186 VanDerWaalsContact N-CZ3 3.33Å; R145-W186 HydrophobicContact CB-CE3 4.48Å; R145-W186 HydrophobicContact CG-CB 4.45Å; R145-W186 PolarHBondContact NE-O 2.63Å; M182-W186 HydrophobicContact CE-CH2 3.67Å; M182-W186 HydrophobicContact CE-CZ2 4.13Å; M182-W186 HydrophobicContact CE-CZ3 4.01Å; M182-W186 HydrophobicContact CG-CD2 4.2Å; M182-W186 HydrophobicContact CG-CH2 4.14Å; M182-W186 HydrophobicContact CG-CZ2 3.66Å; M182-W186 PolarHBondContact O-N 3.01Å; M182-W186 HydrophobicContact SD-CH2 3.65Å; M182-W186 HydrophobicContact SD-CZ2 3.49Å; M182-W186 WeakPolarHBondContact SD-CZ2 3.47Å; M182-W186 HydrophobicContact SD-CZ3 4.44Å; L183-W186 HydrophobicContact CD2-CE3 4.16Å; L183-W186 HydrophobicContact CD2-CZ3 4.32Å; L183-W186 PolarHBondContact O-N 3.37Å; E184-W186 PolarHBondContact O-N 3.14Å; W186-W192 AromaticContact CD1-CE3 3.7Å; W186-W192 AromaticContact CD1-CZ3 3.79Å; W186-W192 HydrophobicContact CZ2-CH2 4.27Å; W186-W192 HydrophobicContact CZ2-CZ2 4Å; W186-W192 AromaticContact NE1-CD2 3.53Å; W186-W192 AromaticContact NE1-CE2 3.66Å; W186-W192 AromaticContact NE1-CE3 3.28Å; W186-W192 VanDerWaalsContact NE1-CE3 3.28Å; W186-W192 AromaticContact NE1-CH2 3.32Å; W186-W192 VanDerWaalsContact NE1-CH2 3.32Å; W186-W192 AromaticContact NE1-CZ2 3.56Å; W186-W192 AromaticContact NE1-CZ3 3.18Å; W186-F197 HydrophobicContact CB-CE2 4.2Å; W186-F197 AromaticContact CD1-CE2 3.29Å; W186-F197 AromaticContact CD1-CZ 3.57Å; W186-F197 HydrophobicContact CD2-CE2 4.39Å; W186-F197 HydrophobicContact CD2-CZ 4.04Å; W186-F197 AromaticContact CE2-CZ 3.88Å; W186-F197 AromaticContact CG-CE2 3.72Å; W186-F197 HydrophobicContact CG-CE2 3.72Å; W186-F197 AromaticContact CG-CZ 3.85Å; W186-F197 HydrophobicContact CG-CZ 3.85Å; W186-F197 AromaticContact NE1-CE2 3.73Å; W186-F197 AromaticContact NE1-CZ 3.56Å
187	L	93.9	Very high	92.5	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-84	-32.7	175.5	-70.4	-169.1	0	0	0	112.9	F153 Y157 W161 L183 E184 H185 I200 L208 M212	F153-L187 HydrophobicContact CB-CD2 4.3Å; F153-L187 HydrophobicContact CD2-CD2 3.72Å; F153-L187 HydrophobicContact CE2-CD2 4.5Å; F153-L187 HydrophobicContact CG-CD2 4.4Å; Y157-L187 HydrophobicContact CD2-CD1 3.98Å; Y157-L187 HydrophobicContact CD2-CD2 3.9Å; Y157-L187 HydrophobicContact CD2-CG 4.01Å; Y157-L187 HydrophobicContact CE2-CD2 3.7Å; Y157-L187 HydrophobicContact CE2-CG 4.13Å; W161-L187 HydrophobicContact CH2-CD1 4.22Å; W161-L187 HydrophobicContact CZ3-CD1 3.89Å; L183-L187 PolarHBondContact O-N 3Å; L183-L187 VanDerWaalsContact O-N 3.14Å; E184-L187 PolarHBondContact O-N 3.46Å; H185-L187 VanDerWaalsContact C-N 3.32Å; H185-L187 PolarHBondContact O-N 2.92Å; L187-I200 HydrophobicContact CD2-CD1 4.25Å; L187-L208 HydrophobicContact CD1-CD2 4.35Å; L187-L208 HydrophobicContact CD2-CD1 4.22Å; L187-M212 HydrophobicContact CB-CE 4.27Å; L187-M212 HydrophobicContact CB-SD 4.17Å; L187-M212 HydrophobicContact CD1-SD 4.08Å
188	T	92	Very high	92.5	Very high	56 Å²	56	38.3 Å²	38.3	34%	0.344	20%	0.203	S	C	.	.	H	α-helix	trans	-93	-34.1	-175.2	56.2	0	0	0	0	113.3	E184 H185 M212	E184-T188 HydrophobicContact CG-CG2 4.17Å; E184-T188 WeakPolarHBondContact O-CB 3.46Å; E184-T188 WeakPolarHBondContact O-CG2 3.41Å; E184-T188 PolarHBondContact O-N 3.32Å; E184-T188 PolarHBondContact O-OG1 3.18Å; H185-T188 PolarHBondContact O-N 3.43Å; H185-T188 PolarHBondContact O-OG1 3.38Å; T188-M212 HydrophobicContact CG2-CE 3.84Å; T188-M212 HydrophobicContact CG2-SD 4.13Å
189	K	92.6	Very high	92.3	Very high	124 Å²	124	45.9 Å²	45.9	54%	0.539	23%	0.229	S	C	.	.			trans	-118.3	136.1	-177.6	-64.7	-177.7	-177	176.9	0	110.5	H185	H185-K189 PolarHBondContact O-N 3.39Å
190	L	93	Very high	92.2	Very high	50 Å²	50	46.4 Å²	46.4	26%	0.262	23%	0.231	S	C	.	.			trans	-82.6	-26.3	175.8	-65.2	175.6	0	0	0	112.6	L196 F197 R199	L190-L196 HydrophobicContact CB-CD2 4.36Å; L190-L196 WeakPolarHBondContact O-CA 3.35Å; L190-F197 PolarHBondContact O-N 2.89Å; L190-R199 HydrophobicContact CD1-CG 3.89Å
191	D	91.9	Very high	92.2	Very high	89 Å²	89	48.6 Å²	48.6	48%	0.476	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.8	-178.2	-171.2	77.8	0	0	0	111.1	H185 L196	H185-D191 PolarHBondContact NE2-O 2.72Å; D191-L196 HydrophobicContact CB-CD2 4.42Å
192	W	91.4	Very high	92.2	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	103.9	175.4	-173.1	-110.4	0	0	0	109.2	L75 M142 V169 M177 M182 H185 W186 S194 T195 F197	L75-W192 HydrophobicContact CB-CZ2 4.03Å; L75-W192 PolarHBondContact O-NE1 2.96Å; M142-W192 HydrophobicContact CE-CZ2 4.36Å; V169-W192 HydrophobicContact CB-CH2 3.99Å; V169-W192 HydrophobicContact CB-CZ2 4.17Å; V169-W192 HydrophobicContact CG1-CH2 4.09Å; V169-W192 HydrophobicContact CG1-CZ2 4.47Å; V169-W192 HydrophobicContact CG2-CH2 4.16Å; M177-W192 HydrophobicContact SD-CH2 4.33Å; M182-W192 HydrophobicContact CG-CH2 4.34Å; H185-W192 AromaticContact CD2-CE3 3.72Å; H185-W192 AromaticContact CD2-CZ3 3.74Å; W186-W192 AromaticContact CD1-CE3 3.7Å; W186-W192 AromaticContact CD1-CZ3 3.79Å; W186-W192 HydrophobicContact CZ2-CH2 4.27Å; W186-W192 HydrophobicContact CZ2-CZ2 4Å; W186-W192 AromaticContact NE1-CD2 3.53Å; W186-W192 AromaticContact NE1-CE2 3.66Å; W186-W192 AromaticContact NE1-CE3 3.28Å; W186-W192 VanDerWaalsContact NE1-CE3 3.28Å; W186-W192 AromaticContact NE1-CH2 3.32Å; W186-W192 VanDerWaalsContact NE1-CH2 3.32Å; W186-W192 AromaticContact NE1-CZ2 3.56Å; W186-W192 AromaticContact NE1-CZ3 3.18Å; W192-S194 PolarHBondContact O-N 3.17Å; W192-T195 PolarHBondContact N-O 3.15Å; W192-T195 WeakPolarHBondContact O-CA 3.34Å; W192-T195 PolarHBondContact O-N 2.97Å; W192-T195 PolarHBondContact O-OG1 3.46Å; W192-F197 HydrophobicContact CB-CD2 4Å; W192-F197 HydrophobicContact CB-CE2 3.43Å; W192-F197 VanDerWaalsContact CB-CE2 3.43Å; W192-F197 HydrophobicContact CB-CZ 3.79Å; W192-F197 AromaticContact CD1-CZ 3.94Å; W192-F197 HydrophobicContact CD2-CE2 4.09Å; W192-F197 HydrophobicContact CD2-CZ 4.05Å; W192-F197 HydrophobicContact CE3-CE2 4.36Å; W192-F197 AromaticContact CG-CE2 3.72Å; W192-F197 HydrophobicContact CG-CE2 3.72Å; W192-F197 AromaticContact CG-CZ 3.64Å; W192-F197 HydrophobicContact CG-CZ 3.64Å
193	F	88.1	Confident	92.1	Very high	45 Å²	45	52.5 Å²	52.5	20%	0.197	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.9	55.8	177	-64.1	-72.5	0	0	0	114.1	E76 V169 K170 T195	E76-F193 HydrophobicContact CB-CB 4.04Å; E76-F193 HydrophobicContact CB-CD2 4.17Å; E76-F193 HydrophobicContact CB-CG 3.98Å; E76-F193 HydrophobicContact CG-CB 4.03Å; E76-F193 HydrophobicContact CG-CD1 3.59Å; E76-F193 HydrophobicContact CG-CD2 3.61Å; E76-F193 HydrophobicContact CG-CE1 3.87Å; E76-F193 HydrophobicContact CG-CE2 3.88Å; E76-F193 HydrophobicContact CG-CG 3.44Å; E76-F193 VanDerWaalsContact CG-CG 3.44Å; E76-F193 HydrophobicContact CG-CZ 4Å; E76-F193 WeakPolarHBondContact OE1-CD1 3.29Å; E76-F193 WeakPolarHBondContact OE1-CE1 3.27Å; V169-F193 HydrophobicContact CB-CE2 4.17Å; V169-F193 HydrophobicContact CB-CZ 4.35Å; V169-F193 HydrophobicContact CG2-CE2 3.81Å; V169-F193 HydrophobicContact CG2-CZ 3.59Å; K170-F193 HydrophobicContact CB-CE1 4.38Å; K170-F193 HydrophobicContact CB-CZ 4.41Å; F193-T195 PolarHBondContact O-N 3.13Å
194	S	81.3	Confident	92.1	Very high	70 Å²	70	53.4 Å²	53.4	49%	0.49	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	18.6	-178.1	-48.3	0	0	0	0	115.6	R83 W192	R83-S194 PolarHBondContact NH1-OG 3.18Å; W192-S194 PolarHBondContact O-N 3.17Å
195	T	85.5	Confident	92.1	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	159	171.9	70.5	0	0	0	0	109.3	I41 P77 W192 F193	I41-T195 HydrophobicContact CD1-CG2 3.66Å; I41-T195 HydrophobicContact CG1-CG2 4.36Å; P77-T195 HydrophobicContact CB-CG2 4.13Å; P77-T195 HydrophobicContact CG-CG2 3.6Å; P77-T195 WeakPolarHBondContact CG-OG1 3.39Å; W192-T195 PolarHBondContact N-O 3.15Å; W192-T195 WeakPolarHBondContact O-CA 3.34Å; W192-T195 PolarHBondContact O-N 2.97Å; W192-T195 PolarHBondContact O-OG1 3.46Å; F193-T195 PolarHBondContact O-N 3.13Å
196	L	90.3	Very high	92.1	Very high	100 Å²	100	57.8 Å²	57.8	52%	0.524	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.4	-178.8	-62.8	175.7	0	0	0	109.3	L190 D191	L190-L196 HydrophobicContact CB-CD2 4.36Å; L190-L196 WeakPolarHBondContact O-CA 3.35Å; D191-L196 HydrophobicContact CB-CD2 4.42Å
197	F	93.7	Very high	92.1	Very high	5 Å²	5	64.3 Å²	64.3	2%	0.022	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.3	156.8	164.7	-72.7	-62.8	0	0	0	111.2	R145 Y146 W186 L190 W192 R199	R145-F197 HydrophobicContact CG-CD1 3.65Å; R145-F197 HydrophobicContact CG-CE1 3.88Å; R145-F197 HydrophobicContact CG-CG 4.02Å; R145-F197 HydrophobicContact CG-CZ 4.41Å; R145-F197 VanDerWaalsContact CZ-CB 3.49Å; R145-F197 VanDerWaalsContact NH2-CB 3.31Å; Y146-F197 HydrophobicContact CD2-CD1 4.42Å; Y146-F197 HydrophobicContact CD2-CE1 4.31Å; Y146-F197 HydrophobicContact CE1-CD1 4.08Å; Y146-F197 AromaticContact CE2-CD1 3.77Å; Y146-F197 HydrophobicContact CE2-CD1 3.77Å; Y146-F197 AromaticContact CE2-CE1 3.54Å; Y146-F197 HydrophobicContact CE2-CE1 3.54Å; Y146-F197 AromaticContact CZ-CD1 3.56Å; Y146-F197 AromaticContact CZ-CE1 3.72Å; W186-F197 HydrophobicContact CB-CE2 4.2Å; W186-F197 AromaticContact CD1-CE2 3.29Å; W186-F197 AromaticContact CD1-CZ 3.57Å; W186-F197 HydrophobicContact CD2-CE2 4.39Å; W186-F197 HydrophobicContact CD2-CZ 4.04Å; W186-F197 AromaticContact CE2-CZ 3.88Å; W186-F197 AromaticContact CG-CE2 3.72Å; W186-F197 HydrophobicContact CG-CE2 3.72Å; W186-F197 AromaticContact CG-CZ 3.85Å; W186-F197 HydrophobicContact CG-CZ 3.85Å; W186-F197 AromaticContact NE1-CE2 3.73Å; W186-F197 AromaticContact NE1-CZ 3.56Å; L190-F197 PolarHBondContact O-N 2.89Å; W192-F197 HydrophobicContact CB-CD2 4Å; W192-F197 HydrophobicContact CB-CE2 3.43Å; W192-F197 VanDerWaalsContact CB-CE2 3.43Å; W192-F197 HydrophobicContact CB-CZ 3.79Å; W192-F197 AromaticContact CD1-CZ 3.94Å; W192-F197 HydrophobicContact CD2-CE2 4.09Å; W192-F197 HydrophobicContact CD2-CZ 4.05Å; W192-F197 HydrophobicContact CE3-CE2 4.36Å; W192-F197 AromaticContact CG-CE2 3.72Å; W192-F197 HydrophobicContact CG-CE2 3.72Å; W192-F197 AromaticContact CG-CZ 3.64Å; W192-F197 HydrophobicContact CG-CZ 3.64Å; F197-R199 PolarHBondContact O-N 2.88Å
198	P	92.9	Very high	92	Very high	19 Å²	19	64.3 Å²	64.3	12%	0.123	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-54.1	134.9	170	-25.2	35.3	0	0	0	110.8	W29 N36 R145 Y146 I200	W29-P198 HydrophobicContact CH2-CB 4.45Å; W29-P198 HydrophobicContact CZ3-CB 3.91Å; N36-P198 HydrophobicContact CB-CB 4.38Å; N36-P198 HydrophobicContact CB-CG 3.59Å; R145-P198 PolarHBondContact NH1-O 2.97Å; R145-P198 PolarHBondContact NH2-O 3.45Å; Y146-P198 HydrophobicContact CD1-CG 3.76Å; Y146-P198 HydrophobicContact CE1-CG 4.17Å; P198-I200 PolarHBondContact O-N 2.99Å
199	R	93.3	Very high	92.1	Very high	184 Å²	184	65.8 Å²	65.8	69%	0.694	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-65.2	133.1	-179.3	-71.1	-174.5	-179.7	-90.3	0.7	110.4	L190 F197	L190-R199 HydrophobicContact CD1-CG 3.89Å; F197-R199 PolarHBondContact O-N 2.88Å
200	I	94.6	Very high	92.1	Very high	11 Å²	11	65 Å²	65	6%	0.056	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-81.6	131.5	172.9	-61.6	172.8	0	0	0	107.9	P150 F153 L187 P198 V202 V204 Q205 L208	P150-I200 HydrophobicContact CB-CG2 3.98Å; F153-I200 HydrophobicContact CD2-CD1 4.11Å; F153-I200 HydrophobicContact CE2-CD1 3.91Å; F153-I200 HydrophobicContact CE2-CG1 4Å; L187-I200 HydrophobicContact CD2-CD1 4.25Å; P198-I200 PolarHBondContact O-N 2.99Å; I200-V202 PolarHBondContact O-N 2.88Å; I200-V204 HydrophobicContact CG2-CB 4.01Å; I200-V204 HydrophobicContact CG2-CG1 4.06Å; I200-Q205 HydrophobicContact CB-CB 4.46Å; I200-Q205 HydrophobicContact CG2-CB 3.95Å; I200-L208 HydrophobicContact CD1-CD1 4.31Å; I200-L208 HydrophobicContact CG2-CD1 4.29Å
201	P	94.5	Very high	92	Very high	50 Å²	50	66 Å²	66	33%	0.325	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-54.7	133.6	173.6	-26.6	34.8	0	0	0	111.7	P203 V204 Q205	P201-P203 VanDerWaalsContact C-CD 3.41Å; P201-P203 VanDerWaalsContact C-N 3.34Å; P201-P203 VanDerWaalsContact O-N 3.17Å; P201-V204 HydrophobicContact CB-CG2 4.25Å; P201-V204 WeakPolarHBondContact O-CA 3.46Å; P201-V204 WeakPolarHBondContact O-CB 3.3Å; P201-V204 PolarHBondContact O-N 2.99Å; P201-Q205 PolarHBondContact O-N 3Å
202	V	94.1	Very high	91.9	Very high	90 Å²	90	62.2 Å²	62.2	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-50.5	-42.8	-174.3	178.5	0	0	0	0	113.9	I200 V204 Q205 K206	I200-V202 PolarHBondContact O-N 2.88Å; V202-V204 VanDerWaalsContact C-N 3.29Å; V202-V204 PolarHBondContact O-N 3.47Å; V202-Q205 PolarHBondContact O-N 3.36Å; V202-K206 HydrophobicContact CG1-CD 4.42Å; V202-K206 WeakPolarHBondContact O-CG 3.37Å; V202-K206 PolarHBondContact O-N 2.98Å
203	P	94.6	Very high	91.8	Very high	89 Å²	89	68.7 Å²	68.7	58%	0.578	33%	0.333	S	S	*	.	H	α-helix	trans	-62.7	-36.5	178	-22.4	34.4	0	0	0	113	P201 K207	P201-P203 VanDerWaalsContact C-CD 3.41Å; P201-P203 VanDerWaalsContact C-N 3.34Å; P201-P203 VanDerWaalsContact O-N 3.17Å; P203-K207 WeakPolarHBondContact O-CG 2.74Å; P203-K207 PolarHBondContact O-N 3.13Å
204	V	94	Very high	91.9	Very high	18 Å²	18	70.2 Å²	70.2	11%	0.109	34%	0.343	C	S	.	.	H	α-helix	trans	-73.2	-42.2	178.3	-177.8	0	0	0	0	110.1	P150 E151 I200 P201 V202 K206 K207 L208	P150-V204 HydrophobicContact CB-CG1 4.01Å; P150-V204 WeakPolarHBondContact O-CG1 3.32Å; E151-V204 HydrophobicContact CG-CG2 3.96Å; I200-V204 HydrophobicContact CG2-CB 4.01Å; I200-V204 HydrophobicContact CG2-CG1 4.06Å; P201-V204 HydrophobicContact CB-CG2 4.25Å; P201-V204 WeakPolarHBondContact O-CA 3.46Å; P201-V204 WeakPolarHBondContact O-CB 3.3Å; P201-V204 PolarHBondContact O-N 2.99Å; V202-V204 VanDerWaalsContact C-N 3.29Å; V202-V204 PolarHBondContact O-N 3.47Å; V204-K206 PolarHBondContact O-N 3Å; V204-K207 PolarHBondContact O-N 3.05Å; V204-L208 HydrophobicContact CG1-CD1 4.05Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CG 3.41Å; V204-L208 PolarHBondContact O-N 3.23Å
205	Q	93.7	Very high	92.1	Very high	60 Å²	60	71.2 Å²	71.2	28%	0.28	34%	0.336	S	S	.	.	H	α-helix	trans	-57.8	-46.7	176.4	-177	173.4	0.5	0	0	111.6	I200 P201 V202 K207 L208 E209	I200-Q205 HydrophobicContact CB-CB 4.46Å; I200-Q205 HydrophobicContact CG2-CB 3.95Å; P201-Q205 PolarHBondContact O-N 3Å; V202-Q205 PolarHBondContact O-N 3.36Å; Q205-K207 VanDerWaalsContact C-N 3.34Å; Q205-K207 PolarHBondContact O-N 2.83Å; Q205-L208 PolarHBondContact O-N 3.29Å; Q205-E209 HydrophobicContact CG-CG 4.46Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.26Å; Q205-E209 PolarHBondContact NE2-OE1 3.11Å; Q205-E209 WeakPolarHBondContact O-CG 3.36Å; Q205-E209 PolarHBondContact O-N 3.26Å
206	K	94.3	Very high	92	Very high	138 Å²	138	74.6 Å²	74.6	60%	0.6	35%	0.35	S	S	*	.	H	α-helix	trans	-58.9	-43.1	176.4	-72.9	-178.9	177	-175	0	112.5	V202 V204 E209 E210	V202-K206 HydrophobicContact CG1-CD 4.42Å; V202-K206 WeakPolarHBondContact O-CG 3.37Å; V202-K206 PolarHBondContact O-N 2.98Å; V204-K206 PolarHBondContact O-N 3Å; K206-E209 PolarHBondContact O-N 3.14Å; K206-E210 PolarHBondContact O-N 3.44Å
207	K	93.8	Very high	91.5	Very high	137 Å²	137	72.4 Å²	72.4	60%	0.596	34%	0.343	S	S	*	.	H	α-helix	trans	-63.3	-42	176.1	-72.9	177.7	177.8	-174.2	0	111.9	P203 V204 Q205 E210 K211	P203-K207 WeakPolarHBondContact O-CG 2.74Å; P203-K207 PolarHBondContact O-N 3.13Å; V204-K207 PolarHBondContact O-N 3.05Å; Q205-K207 VanDerWaalsContact C-N 3.34Å; Q205-K207 PolarHBondContact O-N 2.83Å; K207-E210 PolarHBondContact O-N 3.42Å; K207-K211 WeakPolarHBondContact O-CG 2.99Å; K207-K211 PolarHBondContact O-N 3.33Å
208	L	93.4	Very high	90.8	Very high	6 Å²	6	75.7 Å²	75.7	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-46.8	176.3	-71.8	168.2	0	0	0	110.9	F153 W154 L187 I200 V204 Q205 E210 K211 M212	F153-L208 HydrophobicContact CB-CD2 4.37Å; F153-L208 HydrophobicContact CD2-CD1 4.39Å; W154-L208 HydrophobicContact CB-CD2 3.78Å; W154-L208 HydrophobicContact CE3-CD2 4.06Å; L187-L208 HydrophobicContact CD1-CD2 4.35Å; L187-L208 HydrophobicContact CD2-CD1 4.22Å; I200-L208 HydrophobicContact CD1-CD1 4.31Å; I200-L208 HydrophobicContact CG2-CD1 4.29Å; V204-L208 HydrophobicContact CG1-CD1 4.05Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CG 3.41Å; V204-L208 PolarHBondContact O-N 3.23Å; Q205-L208 PolarHBondContact O-N 3.29Å; L208-E210 VanDerWaalsContact C-N 3.32Å; L208-E210 PolarHBondContact O-N 3.32Å; L208-K211 PolarHBondContact O-N 3.03Å; L208-M212 HydrophobicContact CB-CE 4.35Å; L208-M212 WeakPolarHBondContact O-CB 3.29Å; L208-M212 VanDerWaalsContact O-CG 3.25Å; L208-M212 WeakPolarHBondContact O-CG 3.3Å; L208-M212 PolarHBondContact O-N 3.23Å
209	E	92.7	Very high	90	Very high	86 Å²	86	77.2 Å²	77.2	40%	0.402	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-41.2	177.8	-72.9	170.7	-173.9	0	0	112.6	Q205 K206 M212 R213	Q205-E209 HydrophobicContact CG-CG 4.46Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.26Å; Q205-E209 PolarHBondContact NE2-OE1 3.11Å; Q205-E209 WeakPolarHBondContact O-CG 3.36Å; Q205-E209 PolarHBondContact O-N 3.26Å; K206-E209 PolarHBondContact O-N 3.14Å; E209-M212 HydrophobicContact CB-CE 4.26Å; E209-M212 HydrophobicContact CG-CE 3.8Å; E209-M212 PolarHBondContact O-N 3.05Å; E209-R213 WeakPolarHBondContact O-CB 3.45Å; E209-R213 PolarHBondContact O-N 2.94Å
210	E	92.9	Very high	88.9	Confident	109 Å²	109	75.6 Å²	75.6	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-48.3	174.1	-179.4	171.3	-159.1	0	0	112.2	K206 K207 L208 M212 R213 L214	K206-E210 PolarHBondContact O-N 3.44Å; K207-E210 PolarHBondContact O-N 3.42Å; L208-E210 VanDerWaalsContact C-N 3.32Å; L208-E210 PolarHBondContact O-N 3.32Å; E210-M212 PolarHBondContact O-N 2.85Å; E210-R213 WeakPolarHBondContact O-CB 3.32Å; E210-R213 PolarHBondContact O-N 3.48Å; E210-L214 HydrophobicContact CG-CD1 4.27Å; E210-L214 WeakPolarHBondContact O-CG 3.33Å; E210-L214 PolarHBondContact O-N 2.93Å
211	K	91.4	Very high	87.9	Confident	70 Å²	70	80.7 Å²	80.7	30%	0.304	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-40.9	178	-70.5	-174.4	177.8	-166.2	0	112.3	W154 K207 L208 R213 L214 R215	W154-K211 HydrophobicContact CB-CD 4.17Å; W154-K211 HydrophobicContact CD2-CB 3.76Å; W154-K211 HydrophobicContact CD2-CD 3.48Å; W154-K211 VanDerWaalsContact CD2-CD 3.48Å; W154-K211 HydrophobicContact CD2-CG 4.27Å; W154-K211 HydrophobicContact CE3-CB 3.77Å; W154-K211 HydrophobicContact CE3-CD 4.2Å; W154-K211 HydrophobicContact CG-CD 3.41Å; W154-K211 VanDerWaalsContact CG-CD 3.41Å; W154-K211 VanDerWaalsContact CH2-C 3.49Å; W154-K211 HydrophobicContact CH2-CB 3.64Å; W154-K211 HydrophobicContact CZ2-CB 3.64Å; W154-K211 HydrophobicContact CZ2-CD 4.4Å; W154-K211 HydrophobicContact CZ3-CB 3.72Å; K207-K211 WeakPolarHBondContact O-CG 2.99Å; K207-K211 PolarHBondContact O-N 3.33Å; L208-K211 PolarHBondContact O-N 3.03Å; K211-R213 PolarHBondContact O-N 3.45Å; K211-L214 PolarHBondContact O-N 3.05Å; K211-R215 PolarHBondContact O-N 3.04Å
212	M	90.1	Very high	86.7	Confident	9 Å²	9	84.5 Å²	84.5	4%	0.044	41%	0.411	C	S	.	.	H	α-helix	trans	-60.1	-44.7	173.5	-71.8	-173.4	-75.3	0	0	111.5	W154 W161 L187 T188 L208 E209 E210 R215 K216	W154-M212 HydrophobicContact CH2-CG 4.49Å; W154-M212 HydrophobicContact CZ3-CG 3.77Å; W161-M212 HydrophobicContact CH2-CB 4.47Å; W161-M212 HydrophobicContact CH2-CG 3.43Å; W161-M212 VanDerWaalsContact CH2-CG 3.43Å; W161-M212 HydrophobicContact CH2-SD 3.24Å; W161-M212 WeakPolarHBondContact CH2-SD 3.42Å; W161-M212 HydrophobicContact CZ2-CB 4.1Å; W161-M212 HydrophobicContact CZ2-CG 3.51Å; W161-M212 HydrophobicContact CZ2-SD 3.69Å; W161-M212 HydrophobicContact CZ3-CG 4.2Å; W161-M212 HydrophobicContact CZ3-SD 4.22Å; L187-M212 HydrophobicContact CB-CE 4.27Å; L187-M212 HydrophobicContact CB-SD 4.17Å; L187-M212 HydrophobicContact CD1-SD 4.08Å; T188-M212 HydrophobicContact CG2-CE 3.84Å; T188-M212 HydrophobicContact CG2-SD 4.13Å; L208-M212 HydrophobicContact CB-CE 4.35Å; L208-M212 WeakPolarHBondContact O-CB 3.29Å; L208-M212 VanDerWaalsContact O-CG 3.25Å; L208-M212 WeakPolarHBondContact O-CG 3.3Å; L208-M212 PolarHBondContact O-N 3.23Å; E209-M212 HydrophobicContact CB-CE 4.26Å; E209-M212 HydrophobicContact CG-CE 3.8Å; E209-M212 PolarHBondContact O-N 3.05Å; E210-M212 PolarHBondContact O-N 2.85Å; M212-R215 PolarHBondContact O-N 2.92Å; M212-K216 WeakPolarHBondContact O-CG 2.85Å; M212-K216 PolarHBondContact O-N 3.08Å
213	R	89.4	Confident	85.5	Confident	139 Å²	139	84 Å²	84	53%	0.525	41%	0.407	S	S	.	.	H	α-helix	trans	-61.7	-45	177.2	-171.7	-169.8	68.3	79.4	-0.5	111.6	E209 E210 K211 K216 C217	E209-R213 WeakPolarHBondContact O-CB 3.45Å; E209-R213 PolarHBondContact O-N 2.94Å; E210-R213 WeakPolarHBondContact O-CB 3.32Å; E210-R213 PolarHBondContact O-N 3.48Å; K211-R213 PolarHBondContact O-N 3.45Å; R213-K216 PolarHBondContact O-N 3.44Å; R213-C217 PolarHBondContact O-N 2.89Å; R213-C217 PolarHBondContact O-SG 3.34Å; R213-C217 VanDerWaalsContact O-SG 3.32Å
214	L	90	Very high	84	Confident	78 Å²	78	84.5 Å²	84.5	41%	0.408	41%	0.405	S	S	.	.	H	α-helix	trans	-61	-44.4	178.5	-71	171	0	0	0	111.9	E210 K211 C217 Q218	E210-L214 HydrophobicContact CG-CD1 4.27Å; E210-L214 WeakPolarHBondContact O-CG 3.33Å; E210-L214 PolarHBondContact O-N 2.93Å; K211-L214 PolarHBondContact O-N 3.05Å; L214-C217 PolarHBondContact O-N 3.41Å; L214-Q218 WeakPolarHBondContact O-CG 3.32Å; L214-Q218 PolarHBondContact O-N 3.01Å
215	R	84.4	Confident	82.6	Confident	90 Å²	90	85.8 Å²	85.8	34%	0.34	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-41.8	176.2	-75.9	-68.2	-174.4	163.3	-2.4	112.6	W154 S158 K211 M212 Q218 A219	W154-R215 HydrophobicContact CH2-CB 4.5Å; W154-R215 HydrophobicContact CH2-CG 3.72Å; W154-R215 HydrophobicContact CZ2-CG 3.72Å; S158-R215 PolarHBondContact OG-NH2 2.93Å; K211-R215 PolarHBondContact O-N 3.04Å; M212-R215 PolarHBondContact O-N 2.92Å; R215-Q218 PolarHBondContact O-N 3.11Å; R215-A219 PolarHBondContact O-N 3.14Å
216	K	83.2	Confident	81.2	Confident	79 Å²	79	87 Å²	87	34%	0.343	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-45.9	174.4	-72.1	-178.2	179.5	-168.1	0	111.4	E184 M212 R213 Q218 A219 F220	E184-K216 IonicContact OE1-NZ 3.55Å; E184-K216 PolarHBondContact OE1-NZ 3.38Å; E184-K216 WeakPolarHBondContact OE2-CE 2.89Å; E184-K216 IonicContact OE2-NZ 3.87Å; E184-K216 PolarHBondContact OE2-NZ 3.5Å; M212-K216 WeakPolarHBondContact O-CG 2.85Å; M212-K216 PolarHBondContact O-N 3.08Å; R213-K216 PolarHBondContact O-N 3.44Å; K216-Q218 VanDerWaalsContact C-N 3.34Å; K216-Q218 PolarHBondContact O-N 3.32Å; K216-A219 PolarHBondContact O-N 3.04Å; K216-F220 WeakPolarHBondContact O-CD2 3.16Å; K216-F220 PolarHBondContact O-N 3.25Å; K216-F220 VanDerWaalsContact O-N 3.09Å
217	C	81.6	Confident	79.6	Confident	54 Å²	54	85.8 Å²	85.8	37%	0.365	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-41.3	176.3	-68.9	0	0	0	0	112.5	R213 L214 F220 L221	R213-C217 PolarHBondContact O-N 2.89Å; R213-C217 PolarHBondContact O-SG 3.34Å; R213-C217 VanDerWaalsContact O-SG 3.32Å; L214-C217 PolarHBondContact O-N 3.41Å; C217-F220 PolarHBondContact O-N 3.49Å; C217-L221 WeakPolarHBondContact O-CG 3.48Å; C217-L221 PolarHBondContact O-N 3.48Å; C217-L221 VanDerWaalsContact O-N 3.08Å
218	Q	78.3	Confident	78.1	Confident	74 Å²	74	84.4 Å²	84.4	35%	0.346	42%	0.419	S	S	.	.	H	α-helix	trans	-61.8	-44.3	176.2	-73	173	3.8	0	0	111.7	L214 R215 K216 F220 L221 E222	L214-Q218 WeakPolarHBondContact O-CG 3.32Å; L214-Q218 PolarHBondContact O-N 3.01Å; R215-Q218 PolarHBondContact O-N 3.11Å; K216-Q218 VanDerWaalsContact C-N 3.34Å; K216-Q218 PolarHBondContact O-N 3.32Å; Q218-F220 VanDerWaalsContact C-N 3.32Å; Q218-F220 PolarHBondContact O-N 3.19Å; Q218-L221 PolarHBondContact O-N 2.81Å; Q218-E222 WeakPolarHBondContact O-CG 3.47Å; Q218-E222 PolarHBondContact O-N 3.09Å
219	A	76.5	Confident	76.7	Confident	50 Å²	50	90.6 Å²	90.6	41%	0.413	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-39.2	176.6	0	0	0	0	0	112.5	R215 K216 V223	R215-A219 PolarHBondContact O-N 3.14Å; K216-A219 PolarHBondContact O-N 3.04Å; A219-V223 WeakPolarHBondContact O-CG2 3.46Å; A219-V223 PolarHBondContact O-N 3.23Å
220	F	70.4	Confident	75.2	Confident	150 Å²	150	92.1 Å²	92.1	66%	0.658	45%	0.453	S	S	*	.	H	α-helix	trans	-65.1	-43.1	175.1	-77.8	-68.6	0	0	0	112.6	K216 C217 Q218 E222 V223 D224	K216-F220 WeakPolarHBondContact O-CD2 3.16Å; K216-F220 PolarHBondContact O-N 3.25Å; K216-F220 VanDerWaalsContact O-N 3.09Å; C217-F220 PolarHBondContact O-N 3.49Å; Q218-F220 VanDerWaalsContact C-N 3.32Å; Q218-F220 PolarHBondContact O-N 3.19Å; F220-E222 VanDerWaalsContact C-N 3.32Å; F220-E222 PolarHBondContact O-N 3.38Å; F220-V223 PolarHBondContact O-N 3.24Å; F220-D224 PolarHBondContact O-N 3.36Å
221	L	73	Confident	73.7	Confident	119 Å²	119	90.6 Å²	90.6	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-65.9	-35.6	179.1	-68.7	172.7	0	0	0	112.4	C217 Q218 S225	C217-L221 WeakPolarHBondContact O-CG 3.48Å; C217-L221 PolarHBondContact O-N 3.48Å; C217-L221 VanDerWaalsContact O-N 3.08Å; Q218-L221 PolarHBondContact O-N 2.81Å; L221-S225 WeakPolarHBondContact O-CB 3.25Å; L221-S225 PolarHBondContact O-N 3.34Å
222	E	70.2	Confident	72.5	Confident	129 Å²	129	92.4 Å²	92.4	60%	0.603	46%	0.462	S	S	*	.	H	α-helix	trans	-63.8	-44.1	175.2	-74.3	178	-178.6	0	0	111.2	Q218 F220 S225 V226	Q218-E222 WeakPolarHBondContact O-CG 3.47Å; Q218-E222 PolarHBondContact O-N 3.09Å; F220-E222 VanDerWaalsContact C-N 3.32Å; F220-E222 PolarHBondContact O-N 3.38Å; E222-S225 PolarHBondContact O-N 3.29Å; E222-S225 PolarHBondContact O-OG 2.66Å; E222-V226 WeakPolarHBondContact O-CG2 3.31Å; E222-V226 PolarHBondContact O-N 2.95Å; E222-V226 VanDerWaalsContact O-N 3.15Å
223	V	67.6	Low	71.2	Confident	79 Å²	79	101.1 Å²	101.1	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-45.7	177.3	175.3	0	0	0	0	111.6	A219 F220 S225 V226 Q227	A219-V223 WeakPolarHBondContact O-CG2 3.46Å; A219-V223 PolarHBondContact O-N 3.23Å; F220-V223 PolarHBondContact O-N 3.24Å; V223-S225 VanDerWaalsContact C-N 3.31Å; V223-S225 PolarHBondContact O-N 3.44Å; V223-V226 PolarHBondContact O-N 3.27Å; V223-Q227 PolarHBondContact O-N 3.46Å
224	D	63.2	Low	69.9	Low	100 Å²	100	99.2 Å²	99.2	54%	0.535	49%	0.494	S	S	.	.	H	α-helix	trans	-60.8	-41	177.3	-84.3	0.6	0	0	0	111.6	F220 V226 Q227 E228	F220-D224 PolarHBondContact O-N 3.36Å; D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 2.89Å; D224-Q227 PolarHBondContact O-N 2.73Å; D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 PolarHBondContact O-N 2.79Å
225	S	63.8	Low	68.5	Low	45 Å²	45	98.2 Å²	98.2	32%	0.315	49%	0.494	S	S	.	.	H	α-helix	trans	-65.6	-31.8	179.3	80.4	0	0	0	0	113.1	L221 E222 V223 K229	L221-S225 WeakPolarHBondContact O-CB 3.25Å; L221-S225 PolarHBondContact O-N 3.34Å; E222-S225 PolarHBondContact O-N 3.29Å; E222-S225 PolarHBondContact O-OG 2.66Å; V223-S225 VanDerWaalsContact C-N 3.31Å; V223-S225 PolarHBondContact O-N 3.44Å; S225-K229 WeakPolarHBondContact O-CB 3.47Å; S225-K229 WeakPolarHBondContact O-CD 3.18Å; S225-K229 VanDerWaalsContact O-CG 3.24Å; S225-K229 WeakPolarHBondContact O-CG 3.45Å; S225-K229 PolarHBondContact O-N 3.34Å
226	V	65.5	Low	67.4	Low	86 Å²	86	99.1 Å²	99.1	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-74.4	-44.1	176.4	175.9	0	0	0	0	110.1	E222 V223 D224 E228 K229 E230	E222-V226 WeakPolarHBondContact O-CG2 3.31Å; E222-V226 PolarHBondContact O-N 2.95Å; E222-V226 VanDerWaalsContact O-N 3.15Å; V223-V226 PolarHBondContact O-N 3.27Å; D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 2.89Å; V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 3.23Å; V226-K229 PolarHBondContact O-N 2.87Å; V226-E230 WeakPolarHBondContact O-CB 3.42Å; V226-E230 PolarHBondContact O-N 2.87Å
227	Q	61.1	Low	66.2	Low	112 Å²	112	105.5 Å²	105.5	52%	0.523	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-37.8	176.7	-71	-174	5.4	0	0	112.3	V223 D224 E230 S231	V223-Q227 PolarHBondContact O-N 3.46Å; D224-Q227 PolarHBondContact O-N 2.73Å; Q227-E230 PolarHBondContact O-N 3.25Å; Q227-S231 VanDerWaalsContact O-CB 3.3Å; Q227-S231 WeakPolarHBondContact O-CB 3.3Å; Q227-S231 PolarHBondContact O-N 3.12Å; Q227-S231 PolarHBondContact O-OG 2.77Å
228	E	61.2	Low	65.1	Low	109 Å²	109	109.4 Å²	109.4	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-69.6	-39.1	177.3	-155.2	-167	157.8	0	0	111.6	D224 V226 S231 K232	D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 PolarHBondContact O-N 2.79Å; V226-E228 VanDerWaalsContact C-N 3.32Å; V226-E228 PolarHBondContact O-N 3.23Å; E228-S231 PolarHBondContact O-N 3.15Å; E228-K232 WeakPolarHBondContact O-CB 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.35Å; E228-K232 PolarHBondContact O-N 2.7Å; E228-K232 VanDerWaalsContact OE1-CE 3.28Å; E228-K232 WeakPolarHBondContact OE1-CE 3.49Å; E228-K232 IonicContact OE1-NZ 2.69Å; E228-K232 PolarHBondContact OE1-NZ 2.86Å
229	K	64.4	Low	64.1	Low	136 Å²	136	115.8 Å²	115.8	59%	0.591	57%	0.565	S	S	*	*	H	α-helix	trans	-65.7	-39.1	173.8	-76.6	172.1	-175.6	171	0	111.9	S225 V226 R233	S225-K229 WeakPolarHBondContact O-CB 3.47Å; S225-K229 WeakPolarHBondContact O-CD 3.18Å; S225-K229 VanDerWaalsContact O-CG 3.24Å; S225-K229 WeakPolarHBondContact O-CG 3.45Å; S225-K229 PolarHBondContact O-N 3.34Å; V226-K229 PolarHBondContact O-N 2.87Å; K229-R233 VanDerWaalsContact O-CG 3.31Å; K229-R233 WeakPolarHBondContact O-CG 3.17Å; K229-R233 PolarHBondContact O-N 3.25Å
230	E	60.9	Low	63.1	Low	118 Å²	118	120.9 Å²	120.9	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-68.7	-41.7	177.4	-165.3	168.4	-169.4	0	0	111.4	V226 Q227 K232 R233 L234	V226-E230 WeakPolarHBondContact O-CB 3.42Å; V226-E230 PolarHBondContact O-N 2.87Å; Q227-E230 PolarHBondContact O-N 3.25Å; E230-K232 PolarHBondContact O-N 2.98Å; E230-R233 PolarHBondContact O-N 3.19Å; E230-L234 HydrophobicContact CG-CD1 4.29Å; E230-L234 WeakPolarHBondContact O-CG 3.12Å; E230-L234 PolarHBondContact O-N 3.49Å
231	S	62.5	Low	62.4	Low	76 Å²	76	117.1 Å²	117.1	53%	0.531	59%	0.589	S	S	.	*	H	α-helix	trans	-61.9	-41.8	174	-60.7	0	0	0	0	112.2	Q227 E228 L234 S235	Q227-S231 VanDerWaalsContact O-CB 3.3Å; Q227-S231 WeakPolarHBondContact O-CB 3.3Å; Q227-S231 PolarHBondContact O-N 3.12Å; Q227-S231 PolarHBondContact O-OG 2.77Å; E228-S231 PolarHBondContact O-N 3.15Å; S231-L234 PolarHBondContact O-N 3.34Å; S231-S235 PolarHBondContact O-N 3.36Å; S231-S235 PolarHBondContact O-OG 2.96Å
232	K	64.8	Low	61.5	Low	109 Å²	109	115.8 Å²	115.8	47%	0.474	59%	0.59	S	S	.	*	H	α-helix	trans	-64.2	-42.8	174.7	-75.8	173.4	-174.9	164.8	0	112.1	E228 E230 L234 S235 D236	E228-K232 WeakPolarHBondContact O-CB 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.35Å; E228-K232 PolarHBondContact O-N 2.7Å; E228-K232 VanDerWaalsContact OE1-CE 3.28Å; E228-K232 WeakPolarHBondContact OE1-CE 3.49Å; E228-K232 IonicContact OE1-NZ 2.69Å; E228-K232 PolarHBondContact OE1-NZ 2.86Å; E230-K232 PolarHBondContact O-N 2.98Å; K232-L234 VanDerWaalsContact C-N 3.34Å; K232-L234 PolarHBondContact O-N 3.3Å; K232-S235 WeakPolarHBondContact CA-OG 3.36Å; K232-S235 PolarHBondContact O-N 3.46Å; K232-S235 PolarHBondContact O-OG 3.38Å; K232-D236 PolarHBondContact O-N 3.27Å
233	R	63.5	Low	60.8	Low	191 Å²	191	118 Å²	118	72%	0.721	60%	0.6	S	S	*	*	H	α-helix	trans	-63.2	-37.3	175.5	-75.8	176.8	174.8	-163.7	-0.7	112.8	K229 E230 R237	K229-R233 VanDerWaalsContact O-CG 3.31Å; K229-R233 WeakPolarHBondContact O-CG 3.17Å; K229-R233 PolarHBondContact O-N 3.25Å; E230-R233 PolarHBondContact O-N 3.19Å; R233-R237 PolarHBondContact O-N 3.11Å
234	L	61.6	Low	60.1	Low	100 Å²	100	123.5 Å²	123.5	52%	0.524	62%	0.62	S	S	.	*	H	α-helix	trans	-70.3	-38.4	174.9	-78.4	159.4	0	0	0	111.8	E230 S231 K232 N238	E230-L234 HydrophobicContact CG-CD1 4.29Å; E230-L234 WeakPolarHBondContact O-CG 3.12Å; E230-L234 PolarHBondContact O-N 3.49Å; S231-L234 PolarHBondContact O-N 3.34Å; K232-L234 VanDerWaalsContact C-N 3.34Å; K232-L234 PolarHBondContact O-N 3.3Å; L234-N238 PolarHBondContact O-N 2.92Å; L234-N238 PolarHBondContact O-ND2 3.49Å
235	S	61.1	Low	59.6	Low	57 Å²	57	128.3 Å²	128.3	40%	0.399	64%	0.636	S	S	.	*	H	α-helix	trans	-69.9	-36.8	176.6	62.9	0	0	0	0	113.3	S231 K232 N238 R239	S231-S235 PolarHBondContact O-N 3.36Å; S231-S235 PolarHBondContact O-OG 2.96Å; K232-S235 WeakPolarHBondContact CA-OG 3.36Å; K232-S235 PolarHBondContact O-N 3.46Å; K232-S235 PolarHBondContact O-OG 3.38Å; S235-N238 PolarHBondContact O-N 3.42Å; S235-R239 PolarHBondContact O-N 2.77Å
236	D	60.4	Low	58.8	Low	109 Å²	109	132 Å²	132	58%	0.583	66%	0.662	S	S	*	*	H	α-helix	trans	-69	-36	178	-78.6	-24.3	0	0	0	111.7	K232 N238 R239	K232-D236 PolarHBondContact O-N 3.27Å; D236-N238 VanDerWaalsContact C-N 3.27Å; D236-N238 PolarHBondContact O-N 2.92Å; D236-R239 PolarHBondContact O-N 3.22Å
237	R	59.2	Low	58	Low	212 Å²	212	131.9 Å²	131.9	80%	0.8	68%	0.678	S	S	*	*	H	α-helix	trans	-65.4	-28	173	-79.5	-176.6	179.7	175.8	1.1	113.8	R233	R233-R237 PolarHBondContact O-N 3.11Å
238	N	58.8	Low	57.4	Low	137 Å²	137	130.7 Å²	130.7	73%	0.733	70%	0.696	S	S	*	*	H	α-helix	trans	-88	-11.6	179.6	-77.8	-26	0	0	0	113.6	L234 S235 D236	L234-N238 PolarHBondContact O-N 2.92Å; L234-N238 PolarHBondContact O-ND2 3.49Å; S235-N238 PolarHBondContact O-N 3.42Å; D236-N238 VanDerWaalsContact C-N 3.27Å; D236-N238 PolarHBondContact O-N 2.92Å
239	R	57.2	Low	56.7	Low	207 Å²	207	133.8 Å²	133.8	78%	0.781	71%	0.71	S	S	*	*	H	α-helix	trans	-91.2	-16.1	178.8	-94.8	-178.3	172.9	171.5	-1.3	114.8	S235 D236 G241	S235-R239 PolarHBondContact O-N 2.77Å; D236-R239 PolarHBondContact O-N 3.22Å; R239-G241 VanDerWaalsContact C-N 3.3Å; R239-G241 PolarHBondContact O-N 3.24Å
240	D	55.4	Low	56.2	Low	157 Å²	157	131.8 Å²	131.8	84%	0.84	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	16.3	-175.5	-151.1	17.4	0	0	0	114.4
241	G	55	Low	55.7	Low	71 Å²	71	133.9 Å²	133.9	73%	0.732	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	5.6	-172.8	0	0	0	0	0	116.7	R239	R239-G241 VanDerWaalsContact C-N 3.3Å; R239-G241 PolarHBondContact O-N 3.24Å
242	S	54.8	Low	54.9	Low	92 Å²	92	139.7 Å²	139.7	64%	0.643	73%	0.733	S	S	*	*			trans	-142.7	55.8	-167.9	55.3	0	0	0	0	114.9
243	H	54.2	Low	54.1	Low	175 Å²	175	140.9 Å²	140.9	81%	0.81	74%	0.74	S	S	*	*			trans	-130.7	72.9	165	-89.9	-26.9	0	0	0	112.4
244	H	52.8	Low	53.4	Low	195 Å²	195	138.1 Å²	138.1	90%	0.903	74%	0.735	S	S	*	*			trans	-109.7	88.8	155.6	-71.9	-53.1	0	0	0	108.7	S246	H244-S246 PolarHBondContact O-N 2.9Å
245	K	53.3	Low	52.7	Low	200 Å²	200	140.5 Å²	140.5	87%	0.87	74%	0.741	S	S	*	*			trans	-75.5	112.4	168.8	-104.7	-179.6	173.9	178.1	0	108.8
246	S	48	Very low	52.2	Low	123 Å²	123	143.7 Å²	143.7	86%	0.86	75%	0.75	S	S	*	*			trans	-70.6	131.8	160.1	41.2	0	0	0	0	109.9	H244	H244-S246 PolarHBondContact O-N 2.9Å
247	G	47.9	Very low	51.6	Low	83 Å²	83	148.9 Å²	148.9	86%	0.856	76%	0.761	S	S	*	*			trans	166.1	120.7	168.4	0	0	0	0	0	113.5
248	G	47.4	Very low	51.3	Low	87 Å²	87	143.5 Å²	143.5	90%	0.897	76%	0.756	S	S	*	*			trans	119.4	90.4	152.4	0	0	0	0	0	116.2
249	H	48.5	Very low	51	Low	174 Å²	174	144.3 Å²	144.3	81%	0.806	76%	0.76	S	S	*	*			trans	-77.6	138.6	171.8	-171.7	71.8	0	0	0	111.5
250	S	53.4	Low	50.5	Low	95 Å²	95	146.2 Å²	146.2	66%	0.664	77%	0.767	S	S	*	*				155	128.4	128.8	57.7	0	0	0	0	114.4
251	H	49.9	Very low	50.2	Low	161 Å²	161	146.7 Å²	146.7	75%	0.745	76%	0.764	S	S	*	*			trans	46.2	139.7	135.2	-72.1	-59.3	0	0	0	120.8
252	R	45.3	Very low	49.9	Very low	198 Å²	198	152 Å²	152	75%	0.747	77%	0.767	S	S	*	*			cis	174.6	152.3	7.4	-170.8	-171.2	174.8	169.3	-3.4	107.8
253	H	47.9	Very low	49.6	Very low	134 Å²	134	156.1 Å²	156.1	62%	0.62	77%	0.769	S	S	*	*			trans	63.3	147.9	161.4	-81.6	-69.5	0	0	0	118.5
254	E	48.7	Very low	49.3	Very low	133 Å²	133	156.8 Å²	156.8	62%	0.621	76%	0.764	S	S	*	*			cis	179.1	159.9	-23.4	-141.2	-174.6	170.9	0	0	105.3
255	K	48.2	Very low	49.1	Very low	151 Å²	151	153.8 Å²	153.8	66%	0.657	75%	0.75	S	S	*	*			trans	75.4	138	156.3	-72.3	170	176.8	177.5	0	116.7
256	H	49.3	Very low	48.9	Very low	124 Å²	124	152 Å²	152	57%	0.574	74%	0.744	S	S	*	*			cis	-162.5	147.4	12.3	-103.9	-57.3	0	0	0	109
257	R	48.4	Very low	48.8	Very low	218 Å²	218	151 Å²	151	82%	0.823	74%	0.738	S	S	*	*			trans	40.1	138.8	131.7	-60.9	176.7	178.8	177.1	-2.6	119.1
258	S	52.8	Low	48.6	Very low	98 Å²	98	158.3 Å²	158.3	69%	0.685	74%	0.74	S	S	*	*			cis	-174.1	147.6	29.3	38.8	0	0	0	0	110.8
259	D	51.8	Low	48.2	Very low	154 Å²	154	166.2 Å²	166.2	82%	0.824	74%	0.743	S	S	*	*			trans	44.1	119.3	135.3	-51.3	-31.7	0	0	0	121.2
260	R	47.6	Very low	47.9	Very low	247 Å²	247	162.9 Å²	162.9	93%	0.932	74%	0.739	S	S	*	*				-173.9	135.4	96.4	-134.3	166.1	179.9	164.8	-0.4	113.9
261	E	49.9	Very low	47.1	Very low	167 Å²	167	170.3 Å²	170.3	78%	0.78	75%	0.752	S	S	*	*			trans	-59.5	151.3	174.5	-62.3	170.7	110.5	0	0	115.2
262	K	48.6	Very low	46.8	Very low	183 Å²	183	168 Å²	168	80%	0.796	76%	0.755	S	S	*	*				-174	109.8	115.7	-97	164.1	-173.5	-179.1	0	110.5
263	R	47.8	Very low	46.5	Very low	179 Å²	179	170.5 Å²	170.5	68%	0.675	76%	0.764	S	S	*	*				77.9	107.3	105.9	-71.9	-173.4	-176.9	-171.7	0	114.1
264	R	48.6	Very low	46.2	Very low	188 Å²	188	169.4 Å²	169.4	71%	0.709	77%	0.771	S	S	*	*				86	134	95.9	-81.2	173.8	-177	-161.3	5.6	111.1
265	H	48.5	Very low	45.9	Very low	133 Å²	133	174 Å²	174	62%	0.616	78%	0.783	S	S	*	*			cis	-161.3	156.5	23.7	-89.4	-66.8	0	0	0	111.4
266	H	48.4	Very low	45.8	Very low	161 Å²	161	174.7 Å²	174.7	75%	0.745	79%	0.788	S	S	*	*			trans	20	142.7	141.2	-49.3	-44.7	0	0	0	120.7
267	S	46.2	Very low	45.2	Very low	104 Å²	104	179.8 Å²	179.8	73%	0.727	80%	0.803	S	S	*	*				-167.8	134.1	50.4	62.4	0	0	0	0	115.2
268	R	44.4	Very low	44.9	Very low	235 Å²	235	181 Å²	181	89%	0.887	81%	0.807	S	S	*	*				32.5	116.7	128.5	-57.6	176.8	175.2	178.6	-2.1	119.1
269	R	37.4	Very low	44.3	Very low	254 Å²	254	183.3 Å²	183.3	96%	0.958	81%	0.807	S	S	*	*				-160.5	132.4	112.9	-124.1	172.4	-178.2	174.3	0.4	113.2
270	S	43	Very low	43.5	Very low	104 Å²	104	181 Å²	181	73%	0.727	80%	0.803	S	S	*	*			trans	-86.3	148.3	-175.1	31.9	0	0	0	0	112.7
271	R	37.2	Very low	43.3	Very low	250 Å²	250	177.8 Å²	177.8	94%	0.943	80%	0.796	S	S	*	*				-171.4	104.8	127.4	-106.3	168.6	180	141.8	-1	111.6
272	S	42.6	Very low	43.2	Very low	114 Å²	114	175.4 Å²	175.4	80%	0.797	79%	0.793	S	S	*	*			trans	-74.1	130.1	159.4	30	0	0	0	0	110.1
273	R	39.3	Very low	43	Very low	250 Å²	250	173 Å²	173	94%	0.943	80%	0.795	S	S	*	*			trans	-140.5	106.5	153.9	-88.7	-171.2	174.2	163.5	-2.8	108.9
274	S	40.6	Very low	43	Very low	110 Å²	110	170.2 Å²	170.2	77%	0.769	80%	0.799	S	S	*	*			trans	-86.4	156.4	162.2	32.8	0	0	0	0	109.7
275	R	43.4	Very low	43.1	Very low	229 Å²	229	170.4 Å²	170.4	86%	0.864	81%	0.808	S	S	*	*			trans	108.8	126.8	-174.5	-70.9	177.4	178.6	167.3	-1.3	110.2
276	E	46.2	Very low	43.1	Very low	166 Å²	166	175.7 Å²	175.7	78%	0.776	82%	0.822	S	S	*	*			cis	-159	140.8	17.2	-109.2	154.8	-161.8	0	0	110.4
277	R	36.9	Very low	43.5	Very low	232 Å²	232	172 Å²	172	88%	0.875	81%	0.805	S	S	*	*			trans	-30.6	131.9	149.1	-70.4	164.6	172.5	162.4	-2.5	112.6
278	R	41.8	Very low	44.6	Very low	242 Å²	242	169.7 Å²	169.7	91%	0.913	79%	0.79	S	S	*	*				169.8	124.4	120.9	-90.4	159	-168.4	-143.2	4.2	114
279	H	39.4	Very low	46	Very low	147 Å²	147	162.8 Å²	162.8	68%	0.681	78%	0.777	S	S	*	*			trans	83.1	97.2	134.1	-144.3	63	0	0	0	120.2
280	S	35.3	Very low	47.7	Very low	107 Å²	107	157.9 Å²	157.9	75%	0.748	76%	0.763	S	S	*	*			trans	-43.8	123.6	146.3	47.8	0	0	0	0	113.5
281	K	44.3	Very low	49.2	Very low	178 Å²	178	158 Å²	158	77%	0.774	75%	0.752	S	S	*	*			trans	-141.5	120.9	153.8	-91.1	-175.7	177.3	178.8	0	109.6
282	T	48.2	Very low	51.2	Low	117 Å²	117	152 Å²	152	72%	0.718	73%	0.73	S	S	*	*			trans	-55.4	147	170.3	37.8	0	0	0	0	111.1	T284	T282-T284 PolarHBondContact O-N 2.75Å
283	P	44.5	Very low	53	Low	132 Å²	132	150.4 Å²	150.4	86%	0.857	71%	0.712	S	S	*	*			trans	-74.9	95	173.1	0.3	16.4	0	0	0	108.5	E285	P283-E285 PolarHBondContact O-N 2.96Å
284	T	47.6	Very low	55.1	Low	121 Å²	121	142.8 Å²	142.8	74%	0.742	69%	0.689	S	S	*	*			trans	-66.3	119.2	162.6	43.9	0	0	0	0	108.2	T282 R286	T282-T284 PolarHBondContact O-N 2.75Å; T284-R286 PolarHBondContact O-N 3.06Å; T284-R286 VanDerWaalsContact O-N 3.11Å
285	E	49.5	Very low	57.2	Low	193 Å²	193	142.8 Å²	142.8	90%	0.902	68%	0.675	S	S	*	*			trans	-42.4	110.6	175.3	-63.2	178	143.3	0	0	111	P283 E287	P283-E285 PolarHBondContact O-N 2.96Å; E285-E287 PolarHBondContact O-N 3.27Å
286	R	50	Low	59.2	Low	243 Å²	243	138.6 Å²	138.6	92%	0.917	66%	0.66	S	S	*	*			trans	-80.6	102.7	168	-94.4	-178.9	170.8	-179.9	-2.5	107.1	T284 S288	T284-R286 PolarHBondContact O-N 3.06Å; T284-R286 VanDerWaalsContact O-N 3.11Å; R286-S288 PolarHBondContact O-N 3.24Å
287	E	56	Low	61	Low	83 Å²	83	133.5 Å²	133.5	39%	0.388	65%	0.646	S	S	.	*			trans	-42.8	122.9	164.9	-87.5	-176.8	162.2	0	0	109	E285 R292 K295	E285-E287 PolarHBondContact O-N 3.27Å; E287-R292 PolarHBondContact O-NH2 2.79Å; E287-K295 IonicContact OE1-NZ 3.05Å; E287-K295 PolarHBondContact OE1-NZ 3.05Å
288	S	68.1	Low	63.3	Low	57 Å²	57	131.3 Å²	131.3	40%	0.399	64%	0.638	S	S	.	*			trans	-62.7	155.3	177.2	74.8	0	0	0	0	110.3	R286 F290 E291 R292	R286-S288 PolarHBondContact O-N 3.24Å; S288-F290 PolarHBondContact O-N 3.18Å; S288-F290 VanDerWaalsContact O-N 3.11Å; S288-E291 PolarHBondContact N-OE2 3.22Å; S288-E291 PolarHBondContact O-N 3.34Å; S288-E291 PolarHBondContact OG-N 3.46Å; S288-R292 PolarHBondContact O-N 2.92Å
289	S	75.1	Confident	65.4	Low	90 Å²	90	125.5 Å²	125.5	63%	0.629	62%	0.621	S	S	*	*	H	α-helix	trans	-53.1	-33.9	175.6	-171.6	0	0	0	0	112	D293	S289-D293 PolarHBondContact O-N 3.17Å
290	F	73	Confident	67.5	Low	151 Å²	151	127.7 Å²	127.7	66%	0.662	62%	0.623	S	S	*	*	H	α-helix	trans	-69.8	-44.3	-179.3	-176.2	-101.3	0	0	0	112.9	S288 R292 D293 L294	S288-F290 PolarHBondContact O-N 3.18Å; S288-F290 VanDerWaalsContact O-N 3.11Å; F290-R292 VanDerWaalsContact C-N 3.26Å; F290-R292 PolarHBondContact O-N 3.17Å; F290-D293 PolarHBondContact O-N 3.42Å; F290-L294 HydrophobicContact CE1-CD1 4.06Å; F290-L294 HydrophobicContact CZ-CD1 3.96Å; F290-L294 PolarHBondContact O-N 3.33Å
291	E	74.7	Confident	69.6	Low	107 Å²	107	127.7 Å²	127.7	50%	0.5	61%	0.611	S	S	.	*	H	α-helix	trans	-61.7	-37.8	176.1	-78.5	-177.4	134.8	0	0	111.8	S288 D293 L294 K295	S288-E291 PolarHBondContact N-OE2 3.22Å; S288-E291 PolarHBondContact O-N 3.34Å; S288-E291 PolarHBondContact OG-N 3.46Å; E291-D293 VanDerWaalsContact C-N 3.33Å; E291-D293 PolarHBondContact O-N 3.02Å; E291-L294 PolarHBondContact O-N 2.99Å; E291-K295 WeakPolarHBondContact O-CB 3.4Å; E291-K295 PolarHBondContact O-N 3.32Å
292	R	78.8	Confident	71.4	Confident	124 Å²	124	123.9 Å²	123.9	47%	0.468	60%	0.597	S	S	.	*	H	α-helix	trans	-64.2	-38.8	178.1	-147.8	179	-64.5	161.5	6.5	111.8	E287 S288 F290 R296	E287-R292 PolarHBondContact O-NH2 2.79Å; S288-R292 PolarHBondContact O-N 2.92Å; F290-R292 VanDerWaalsContact C-N 3.26Å; F290-R292 PolarHBondContact O-N 3.17Å; R292-R296 WeakPolarHBondContact O-CG 3.47Å; R292-R296 PolarHBondContact O-N 3.44Å
293	D	80.7	Confident	72.9	Confident	80 Å²	80	127.8 Å²	127.8	43%	0.428	60%	0.598	S	S	.	*	H	α-helix	trans	-76.6	-35.3	177.3	-74.1	-25.1	0	0	0	112.6	S289 F290 E291 K295 R296 A297	S289-D293 PolarHBondContact O-N 3.17Å; F290-D293 PolarHBondContact O-N 3.42Å; E291-D293 VanDerWaalsContact C-N 3.33Å; E291-D293 PolarHBondContact O-N 3.02Å; D293-K295 VanDerWaalsContact C-N 3.32Å; D293-K295 PolarHBondContact O-N 3.47Å; D293-R296 PolarHBondContact O-N 3.39Å; D293-R296 IonicContact OD1-NH1 2.86Å; D293-R296 PolarHBondContact OD1-NH1 3.23Å; D293-A297 WeakPolarHBondContact O-CB 3.44Å; D293-A297 PolarHBondContact O-N 3.35Å
294	L	82.9	Confident	74.5	Confident	89 Å²	89	126.3 Å²	126.3	47%	0.466	58%	0.583	S	S	.	*	H	α-helix	trans	-63.1	-40.1	173.6	-148.3	94.2	0	0	0	111.6	F290 E291 A297 R298	F290-L294 HydrophobicContact CE1-CD1 4.06Å; F290-L294 HydrophobicContact CZ-CD1 3.96Å; F290-L294 PolarHBondContact O-N 3.33Å; E291-L294 PolarHBondContact O-N 2.99Å; L294-A297 PolarHBondContact O-N 3.04Å; L294-R298 PolarHBondContact O-N 3.06Å
295	K	84.7	Confident	75.9	Confident	110 Å²	110	128 Å²	128	48%	0.478	58%	0.576	S	S	.	*	H	α-helix	trans	-64.2	-45.3	175.8	-165.3	175.1	-172.7	174.4	0	111.4	E287 E291 D293 A297 R298 E299	E287-K295 IonicContact OE1-NZ 3.05Å; E287-K295 PolarHBondContact OE1-NZ 3.05Å; E291-K295 WeakPolarHBondContact O-CB 3.4Å; E291-K295 PolarHBondContact O-N 3.32Å; D293-K295 VanDerWaalsContact C-N 3.32Å; D293-K295 PolarHBondContact O-N 3.47Å; K295-A297 VanDerWaalsContact C-N 3.33Å; K295-A297 PolarHBondContact O-N 2.86Å; K295-R298 PolarHBondContact O-N 3.09Å; K295-E299 WeakPolarHBondContact O-CG 3.48Å; K295-E299 PolarHBondContact O-N 3.2Å
296	R	86	Confident	77.1	Confident	141 Å²	141	126.7 Å²	126.7	53%	0.532	56%	0.563	S	S	.	*	H	α-helix	trans	-61.1	-38.6	173.6	-75.5	174.1	-176.2	164.1	-5.3	112.9	R292 D293 E299 R300	R292-R296 WeakPolarHBondContact O-CG 3.47Å; R292-R296 PolarHBondContact O-N 3.44Å; D293-R296 PolarHBondContact O-N 3.39Å; D293-R296 IonicContact OD1-NH1 2.86Å; D293-R296 PolarHBondContact OD1-NH1 3.23Å; R296-E299 PolarHBondContact O-N 3.42Å; R296-R300 PolarHBondContact O-N 2.96Å
297	A	83.6	Confident	78.1	Confident	59 Å²	59	124.9 Å²	124.9	49%	0.488	56%	0.556	S	S	.	*	H	α-helix	trans	-66.8	-42	177.9	0	0	0	0	0	111.8	D293 L294 K295 R300 Q301	D293-A297 WeakPolarHBondContact O-CB 3.44Å; D293-A297 PolarHBondContact O-N 3.35Å; L294-A297 PolarHBondContact O-N 3.04Å; K295-A297 VanDerWaalsContact C-N 3.33Å; K295-A297 PolarHBondContact O-N 2.86Å; A297-R300 PolarHBondContact O-N 3.15Å; A297-Q301 PolarHBondContact O-N 2.98Å; A297-Q301 VanDerWaalsContact O-N 3.09Å
298	R	85.7	Confident	78.5	Confident	186 Å²	186	125.7 Å²	125.7	70%	0.702	57%	0.571	S	S	*	*	H	α-helix	trans	-61.2	-45.2	172.8	-90.4	-175.5	176.1	178.9	0.7	112.3	L294 K295 R300 Q301 E302	L294-R298 PolarHBondContact O-N 3.06Å; K295-R298 PolarHBondContact O-N 3.09Å; R298-R300 VanDerWaalsContact C-N 3.33Å; R298-R300 PolarHBondContact O-N 3.33Å; R298-Q301 PolarHBondContact O-N 2.97Å; R298-E302 PolarHBondContact O-N 3.13Å
299	E	85.7	Confident	78	Confident	120 Å²	120	134 Å²	134	56%	0.561	59%	0.593	S	S	*	*	H	α-helix	trans	-61.3	-38.9	178	-76.5	178.5	177.3	0	0	112.5	K295 R296 R303	K295-E299 WeakPolarHBondContact O-CG 3.48Å; K295-E299 PolarHBondContact O-N 3.2Å; R296-E299 PolarHBondContact O-N 3.42Å; E299-R303 WeakPolarHBondContact O-CB 3.39Å; E299-R303 PolarHBondContact O-N 3.13Å
300	R	83	Confident	76.8	Confident	193 Å²	193	137.3 Å²	137.3	73%	0.728	62%	0.616	S	S	*	*	H	α-helix	trans	-62.4	-47.7	172.9	-77.8	-173.8	-175.9	-164.9	2	111.7	R296 A297 R298 E302 R303 D304	R296-R300 PolarHBondContact O-N 2.96Å; A297-R300 PolarHBondContact O-N 3.15Å; R298-R300 VanDerWaalsContact C-N 3.33Å; R298-R300 PolarHBondContact O-N 3.33Å; R300-E302 VanDerWaalsContact C-N 3.28Å; R300-E302 PolarHBondContact O-N 3.12Å; R300-R303 PolarHBondContact O-N 3.14Å; R300-D304 PolarHBondContact O-N 3.44Å
301	Q	80	Confident	77	Confident	107 Å²	107	136.7 Å²	136.7	50%	0.5	61%	0.614	S	S	.	*	H	α-helix	trans	-64.4	-34.1	-178.1	-158.6	-180	55.3	0	0	112.3	A297 R298 R305	A297-Q301 PolarHBondContact O-N 2.98Å; A297-Q301 VanDerWaalsContact O-N 3.09Å; R298-Q301 PolarHBondContact O-N 2.97Å; Q301-R305 WeakPolarHBondContact O-CG 3.42Å; Q301-R305 PolarHBondContact O-N 3.19Å; Q301-R305 VanDerWaalsContact O-N 3.13Å
302	E	81.3	Confident	77.1	Confident	99 Å²	99	138.2 Å²	138.2	46%	0.463	62%	0.62	S	S	.	*	H	α-helix	trans	-72.8	-37.8	175.1	-165.6	169.4	160.7	0	0	112.5	R298 R300 D304 R305 R306	R298-E302 PolarHBondContact O-N 3.13Å; R300-E302 VanDerWaalsContact C-N 3.28Å; R300-E302 PolarHBondContact O-N 3.12Å; E302-D304 VanDerWaalsContact C-N 3.34Å; E302-R305 PolarHBondContact O-N 3.04Å; E302-R306 WeakPolarHBondContact O-CG 3.49Å; E302-R306 PolarHBondContact O-N 3.36Å; E302-R306 IonicContact OE1-CZ 3.68Å; E302-R306 IonicContact OE1-NE 3.65Å; E302-R306 IonicContact OE1-NH2 2.65Å; E302-R306 PolarHBondContact OE1-NH2 3.37Å
303	R	81	Confident	77	Confident	199 Å²	199	139 Å²	139	75%	0.751	63%	0.628	S	S	*	*	H	α-helix	trans	-63.9	-40.2	175	-163.9	-177.8	-85.6	-158.3	-3.7	111.5	E299 R300 R306 R307	E299-R303 WeakPolarHBondContact O-CB 3.39Å; E299-R303 PolarHBondContact O-N 3.13Å; R300-R303 PolarHBondContact O-N 3.14Å; R303-R306 PolarHBondContact O-N 3.08Å; R303-R307 PolarHBondContact O-N 3.28Å; R303-R307 VanDerWaalsContact O-N 3.12Å
304	D	77.6	Confident	76.8	Confident	101 Å²	101	142.5 Å²	142.5	54%	0.54	64%	0.64	S	S	.	*	H	α-helix	trans	-64.9	-44.3	175.5	-71.6	-20.9	0	0	0	111.5	R300 E302 R306 R307 S308	R300-D304 PolarHBondContact O-N 3.44Å; E302-D304 VanDerWaalsContact C-N 3.34Å; D304-R306 VanDerWaalsContact C-N 3.31Å; D304-R306 PolarHBondContact O-N 2.92Å; D304-R307 PolarHBondContact O-N 3.47Å; D304-R307 VanDerWaalsContact O-N 3.13Å; D304-S308 PolarHBondContact O-N 3.34Å; D304-S308 VanDerWaalsContact O-N 3.08Å; D304-S308 PolarHBondContact O-OG 3.38Å
305	R	76	Confident	76.4	Confident	155 Å²	155	145.8 Å²	145.8	59%	0.585	65%	0.651	S	S	*	*	H	α-helix	trans	-61	-34.9	175.7	-77.5	-179.1	-177.8	137.8	4.2	113.7	Q301 E302	Q301-R305 WeakPolarHBondContact O-CG 3.42Å; Q301-R305 PolarHBondContact O-N 3.19Å; Q301-R305 VanDerWaalsContact O-N 3.13Å; E302-R305 PolarHBondContact O-N 3.04Å
306	R	74.9	Confident	75.9	Confident	167 Å²	167	148.2 Å²	148.2	63%	0.63	66%	0.663	S	S	*	*	H	α-helix	trans	-70.4	-36.6	175.6	-71.2	-177.7	-171	-156.7	4.5	111.6	E302 R303 D304 S308 R309 S310	E302-R306 WeakPolarHBondContact O-CG 3.49Å; E302-R306 PolarHBondContact O-N 3.36Å; E302-R306 IonicContact OE1-CZ 3.68Å; E302-R306 IonicContact OE1-NE 3.65Å; E302-R306 IonicContact OE1-NH2 2.65Å; E302-R306 PolarHBondContact OE1-NH2 3.37Å; R303-R306 PolarHBondContact O-N 3.08Å; D304-R306 VanDerWaalsContact C-N 3.31Å; D304-R306 PolarHBondContact O-N 2.92Å; R306-S308 VanDerWaalsContact C-N 3.31Å; R306-S308 PolarHBondContact O-N 3.28Å; R306-R309 PolarHBondContact O-N 2.77Å; R306-S310 PolarHBondContact O-OG 2.89Å
307	R	70.8	Confident	75.1	Confident	205 Å²	205	148.7 Å²	148.7	77%	0.774	67%	0.672	S	S	*	*	H	α-helix	trans	-69.2	-27.1	177	-128.8	179.3	-173.7	-165.9	-0.7	113.3	R303 D304 R309	R303-R307 PolarHBondContact O-N 3.28Å; R303-R307 VanDerWaalsContact O-N 3.12Å; D304-R307 PolarHBondContact O-N 3.47Å; D304-R307 VanDerWaalsContact O-N 3.13Å; R307-R309 VanDerWaalsContact C-N 3.3Å
308	S	64.1	Low	74.5	Confident	100 Å²	100	155.6 Å²	155.6	70%	0.699	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-4	175.6	-36.7	0	0	0	0	114.2	D304 R306	D304-S308 PolarHBondContact O-N 3.34Å; D304-S308 VanDerWaalsContact O-N 3.08Å; D304-S308 PolarHBondContact O-OG 3.38Å; R306-S308 VanDerWaalsContact C-N 3.31Å; R306-S308 PolarHBondContact O-N 3.28Å
309	R	58	Low	73.5	Confident	232 Å²	232	153.1 Å²	153.1	88%	0.875	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	3.4	-178.8	-88.4	-176.4	163.1	-180	-4.8	113.6	R306 R307	R306-R309 PolarHBondContact O-N 2.77Å; R307-R309 VanDerWaalsContact C-N 3.3Å
310	S	50.2	Low	72.4	Confident	159 Å²	159	156.1 Å²	156.1	100%	1.112	70%	0.696	S	S	*	*			trans	-108	0	170.5	-45.7	0	0	0	0	108.5	R306	R306-S310 PolarHBondContact O-OG 2.89Å

Retrieved 310 of 310 residues in 548.8 ms (Link to these results)

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