A0A087Y4R7_POEFO Loading...

3'-5' exoribonuclease 1

AlphaFold DB , UniProt , Accession A0A087Y4R7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	36.8	Very low	174 Å²	174	79.1 Å²	79.1	86%	0.857	38%	0.379	S	S	*	.				0	-34.3	0	-130.9	174.2	-85	0	0	114.8	E3	M1-E3 PolarHBondContact N-OE2 3.11Å; M1-E3 VanDerWaalsContact N-OE2 3.08Å; M1-E3 PolarHBondContact O-N 2.73Å
2	D	32.8	Very low	36.9	Very low	55 Å²	55	80 Å²	80	29%	0.294	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-2.2	150.4	-76.9	-33	0	0	0	112.5	H4 K265 S267	D2-H4 VanDerWaalsContact C-N 3.33Å; D2-H4 PolarHBondContact O-N 3.37Å; D2-K265 HydrophobicContact CB-CD 3.97Å; D2-S267 VanDerWaalsContact OD2-CB 3.23Å; D2-S267 WeakPolarHBondContact OD2-CB 3.26Å; D2-S267 PolarHBondContact OD2-OG 3.46Å
3	E	34.4	Very low	36.5	Very low	94 Å²	94	83.3 Å²	83.3	44%	0.439	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.6	-171.8	-75.4	167.9	140.2	0	0	113.4	M1 E6 N7	M1-E3 PolarHBondContact N-OE2 3.11Å; M1-E3 VanDerWaalsContact N-OE2 3.08Å; M1-E3 PolarHBondContact O-N 2.73Å; E3-E6 CarbonylContact O-C 3.39Å; E3-E6 PolarHBondContact O-N 3.45Å; E3-N7 WeakPolarHBondContact O-CB 3.43Å; E3-N7 PolarHBondContact O-N 2.87Å
4	H	41.8	Very low	36	Very low	72 Å²	72	87.5 Å²	87.5	33%	0.333	44%	0.439	S	S	.	.	H	α-helix	trans	-92.7	-38	-171.1	-64	-18.9	0	0	0	113.5	D2 E6 N7 I8 F174	D2-H4 VanDerWaalsContact C-N 3.33Å; D2-H4 PolarHBondContact O-N 3.37Å; H4-E6 PolarHBondContact O-N 2.95Å; H4-N7 PolarHBondContact O-N 3.26Å; H4-I8 WeakPolarHBondContact O-CG1 3.27Å; H4-F174 HydrophobicContact CB-CZ 3.98Å; H4-F174 AromaticContact CD2-CE2 3.89Å; H4-F174 AromaticContact CD2-CZ 3.8Å
5	K	44.4	Very low	35.5	Very low	43 Å²	43	92.7 Å²	92.7	19%	0.187	47%	0.468	C	S	.	.	H	α-helix	trans	-60.1	-22.3	158.6	-78.5	-169.4	-180	-176.8	0	111.4	D123 F124 E125	K5-D123 IonicContact NZ-OD1 3.75Å; K5-F124 PolarHBondContact NZ-O 3.17Å; K5-E125 WeakPolarHBondContact CE-OE2 3.34Å; K5-E125 IonicContact NZ-OE1 3.48Å; K5-E125 PolarHBondContact NZ-OE1 2.78Å; K5-E125 IonicContact NZ-OE2 2.71Å; K5-E125 PolarHBondContact NZ-OE2 3.22Å
6	E	42.4	Very low	34.9	Very low	23 Å²	23	99.3 Å²	99.3	11%	0.107	49%	0.492	C	S	.	.	H	α-helix	trans	-94.5	-19.9	178.3	-71.3	-170.1	158.1	0	0	116.2	E3 H4 I8 Q9 R10 R250 K265	E3-E6 CarbonylContact O-C 3.39Å; E3-E6 PolarHBondContact O-N 3.45Å; H4-E6 PolarHBondContact O-N 2.95Å; E6-I8 PolarHBondContact O-N 3.02Å; E6-Q9 VanDerWaalsContact C-N 3.32Å; E6-Q9 CarbonylContact O-C 3.55Å; E6-Q9 VanDerWaalsContact O-CA 3.3Å; E6-Q9 WeakPolarHBondContact O-CA 3.48Å; E6-Q9 VanDerWaalsContact O-CB 3.28Å; E6-Q9 WeakPolarHBondContact O-CB 3.31Å; E6-Q9 PolarHBondContact O-N 3.32Å; E6-R10 PolarHBondContact O-N 2.63Å; E6-R10 VanDerWaalsContact O-N 3.09Å; E6-R250 IonicContact OE1-NH1 3.62Å; E6-R250 PolarHBondContact OE1-NH1 3.31Å; E6-K265 WeakPolarHBondContact OE1-CD 3.3Å; E6-K265 VanDerWaalsContact OE1-CG 3.3Å; E6-K265 WeakPolarHBondContact OE1-CG 3.37Å; E6-K265 WeakPolarHBondContact OE2-CD 3.3Å; E6-K265 WeakPolarHBondContact OE2-CE 3.42Å; E6-K265 IonicContact OE2-NZ 3.87Å; E6-K265 PolarHBondContact OE2-NZ 2.92Å
7	N	35.3	Very low	34.4	Very low	79 Å²	79	104.1 Å²	104.1	42%	0.422	52%	0.516	S	S	.	.	H	α-helix	trans	-66.5	-34.1	174.4	-111	12.3	0	0	0	109.4	E3 H4 Q9 R10	E3-N7 WeakPolarHBondContact O-CB 3.43Å; E3-N7 PolarHBondContact O-N 2.87Å; H4-N7 PolarHBondContact O-N 3.26Å; N7-Q9 VanDerWaalsContact C-N 3.27Å; N7-Q9 PolarHBondContact O-N 3Å; N7-R10 PolarHBondContact O-N 2.71Å
8	I	41.6	Very low	34	Very low	11 Å²	11	104.6 Å²	104.6	6%	0.056	53%	0.531	C	S	.	.	H	α-helix	trans	-60.6	-36.5	165.8	-18.9	-172.6	0	0	0	110.9	H4 E6 R10 N132 W222 K226	H4-I8 WeakPolarHBondContact O-CG1 3.27Å; E6-I8 PolarHBondContact O-N 3.02Å; I8-R10 PolarHBondContact O-N 2.9Å; I8-N132 WeakPolarHBondContact CA-ND2 3.41Å; I8-N132 VanDerWaalsContact CB-ND2 3.29Å; I8-N132 WeakPolarHBondContact CB-ND2 3.36Å; I8-N132 WeakPolarHBondContact CD1-OD1 3.5Å; I8-N132 HydrophobicContact CG1-CB 4.46Å; I8-N132 WeakPolarHBondContact CG1-ND2 3.33Å; I8-N132 WeakPolarHBondContact CG1-OD1 3.35Å; I8-N132 VanDerWaalsContact CG2-ND2 3.29Å; I8-N132 WeakPolarHBondContact CG2-ND2 3.39Å; I8-N132 WeakPolarHBondContact CG2-OD1 3.45Å; I8-N132 PolarHBondContact N-ND2 3.31Å; I8-W222 HydrophobicContact CB-CH2 3.19Å; I8-W222 HydrophobicContact CB-CZ2 4.45Å; I8-W222 HydrophobicContact CB-CZ3 3.28Å; I8-W222 HydrophobicContact CD1-CZ3 4.13Å; I8-W222 HydrophobicContact CG1-CH2 4.42Å; I8-W222 HydrophobicContact CG1-CZ3 4.08Å; I8-W222 HydrophobicContact CG2-CH2 3.18Å; I8-W222 HydrophobicContact CG2-CZ2 4.43Å; I8-W222 HydrophobicContact CG2-CZ3 3.39Å; I8-W222 WeakPolarHBondContact O-CH2 3.24Å; I8-W222 WeakPolarHBondContact O-CZ2 3.43Å; I8-K226 VanDerWaalsContact CG2-NZ 3.29Å
9	Q	37.1	Very low	33.5	Very low	57 Å²	57	108.9 Å²	108.9	27%	0.266	55%	0.549	S	S	.	.	H	α-helix	trans	-72.7	-21.3	-180	-68.2	178.3	8.9	0	0	114.6	E6 N7 W222	E6-Q9 VanDerWaalsContact C-N 3.32Å; E6-Q9 CarbonylContact O-C 3.55Å; E6-Q9 VanDerWaalsContact O-CA 3.3Å; E6-Q9 WeakPolarHBondContact O-CA 3.48Å; E6-Q9 VanDerWaalsContact O-CB 3.28Å; E6-Q9 WeakPolarHBondContact O-CB 3.31Å; E6-Q9 PolarHBondContact O-N 3.32Å; N7-Q9 VanDerWaalsContact C-N 3.27Å; N7-Q9 PolarHBondContact O-N 3Å; Q9-W222 VanDerWaalsContact CA-CZ2 3.4Å; Q9-W222 HydrophobicContact CB-CH2 4.4Å; Q9-W222 HydrophobicContact CB-CZ2 4.04Å; Q9-W222 HydrophobicContact CG-CD2 3.81Å; Q9-W222 HydrophobicContact CG-CE3 3.99Å; Q9-W222 HydrophobicContact CG-CH2 3.88Å; Q9-W222 HydrophobicContact CG-CZ2 3.59Å; Q9-W222 HydrophobicContact CG-CZ3 4.05Å; Q9-W222 VanDerWaalsContact N-CH2 3.3Å
10	R	29.3	Very low	33.1	Very low	172 Å²	172	113.3 Å²	113.3	65%	0.649	57%	0.568	S	S	*	*	H	α-helix	trans	-89	-28.9	-173.7	-80.7	-176	177.3	173.5	1.5	114.5	E6 N7 I8	E6-R10 PolarHBondContact O-N 2.63Å; E6-R10 VanDerWaalsContact O-N 3.09Å; N7-R10 PolarHBondContact O-N 2.71Å; I8-R10 PolarHBondContact O-N 2.9Å
11	T	31.7	Very low	32.6	Very low	90 Å²	90	117 Å²	117	55%	0.552	58%	0.58	S	S	*	*	H	α-helix	trans	-80.7	-29	-171.8	41.6	0	0	0	0	113.7
12	D	37.5	Very low	32.2	Very low	90 Å²	90	115.7 Å²	115.7	48%	0.481	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	-2.8	-168.8	-68.7	-21.7	0	0	0	115.8	K226	D12-K226 IonicContact OD2-NZ 3.36Å
13	V	32	Very low	31.9	Very low	123 Å²	123	121.1 Å²	121.1	75%	0.745	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-3.4	-176.7	-168.4	0	0	0	0	113
14	N	29.6	Very low	31.4	Very low	142 Å²	142	126.2 Å²	126.2	76%	0.759	62%	0.621	S	S	*	*			trans	-111.6	65.7	-175	-115.8	3.8	0	0	0	112.8
15	L	27.7	Very low	30.7	Very low	165 Å²	165	130 Å²	130	86%	0.864	65%	0.649	S	S	*	*			trans	-120.3	87.5	157.8	-78.8	166.5	0	0	0	109
16	K	27.1	Very low	30	Very low	198 Å²	198	137.4 Å²	137.4	86%	0.861	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-74.1	117	159.5	-85.2	-178.7	173.6	-179.2	0	107.6
17	M	26.4	Very low	29.2	Very low	181 Å²	181	142.3 Å²	142.3	89%	0.892	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-85.6	131.1	161.4	-75.4	-176.2	67.2	0	0	109.5
18	S	27.1	Very low	28.7	Very low	113 Å²	113	144.4 Å²	144.4	79%	0.79	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-63.9	142.2	-175	39.7	0	0	0	0	114.2
19	E	24.2	Very low	27.9	Very low	188 Å²	188	148.8 Å²	148.8	88%	0.879	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-73	129.1	166.9	-66.9	175.6	150.1	0	0	110.6
20	E	25.2	Very low	27.4	Very low	196 Å²	196	156.9 Å²	156.9	92%	0.916	79%	0.794	S	S	*	*			trans	-106.5	131.8	157.6	-83.1	-172.3	157.5	0	0	109.8
21	K	23.5	Very low	27.3	Very low	192 Å²	192	156.1 Å²	156.1	84%	0.835	80%	0.802	S	S	*	*			trans	-92.1	131.7	178.3	-74.9	176	176.1	173.1	0	110.7
22	N	25.4	Very low	26.8	Very low	146 Å²	146	157.6 Å²	157.6	78%	0.781	81%	0.814	S	S	*	*			trans	178.9	147	141	-108.4	-1.1	0	0	0	107.3
23	E	25.8	Very low	26.3	Very low	169 Å²	169	159.2 Å²	159.2	79%	0.79	83%	0.83	S	S	*	*			cis	-162.2	164.9	0.5	-151.4	172	-178.6	0	0	106.9
24	K	24.8	Very low	26	Very low	201 Å²	201	160.9 Å²	160.9	87%	0.874	83%	0.834	S	S	*	*			trans	-69.2	142.8	-171.4	-67	167.3	176.6	170.9	0	113.8
25	T	26.2	Very low	25.9	Very low	150 Å²	150	161.1 Å²	161.1	92%	0.92	84%	0.836	S	S	*	*			trans	-150.2	141.7	145.6	3.3	0	0	0	0	111.7
26	K	30	Very low	25.9	Very low	200 Å²	200	162.7 Å²	162.7	87%	0.87	84%	0.839	S	S	*	*			trans	-78	165.7	-165	-91.2	180	178.8	179.4	0	114.1
27	P	26	Very low	26	Very low	126 Å²	126	159.8 Å²	159.8	82%	0.818	84%	0.837	S	S	*	*			trans	-86.4	143.7	-162.7	34.7	-32.6	0	0	0	112.8
28	C	24.2	Very low	26.1	Very low	122 Å²	122	155.5 Å²	155.5	82%	0.824	83%	0.831	S	S	*	*			trans	-116.8	117.1	168.7	-157.7	0	0	0	0	109.5
29	S	25	Very low	26.2	Very low	104 Å²	104	155.9 Å²	155.9	73%	0.727	83%	0.831	S	S	*	*			trans	-74.1	134	170.3	42.6	0	0	0	0	110.3
30	R	26.4	Very low	26.3	Very low	226 Å²	226	156.4 Å²	156.4	85%	0.853	83%	0.833	S	S	*	*			trans	-171.9	109.2	149	-103.6	158.1	-162.8	-160.7	5.5	111.7
31	I	26.9	Very low	26.4	Very low	157 Å²	157	152.6 Å²	152.6	81%	0.805	82%	0.824	S	S	*	*				44.7	110.4	128.5	-50.8	169.6	0	0	0	116.7
32	C	22	Very low	26.8	Very low	121 Å²	121	149.6 Å²	149.6	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.6	141.9	163.4	-49.3	0	0	0	0	110.4
33	P	26.8	Very low	27.4	Very low	124 Å²	124	149.8 Å²	149.8	81%	0.805	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-99	142.2	150.8	4.7	15.5	0	0	0	110.7
34	D	25.4	Very low	27.9	Very low	157 Å²	157	147.2 Å²	147.2	84%	0.84	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67.3	166.2	176.6	-73.9	-49.6	0	0	0	114.1
35	D	27.4	Very low	28.5	Very low	148 Å²	148	144 Å²	144	79%	0.791	82%	0.816	S	S	*	*			trans	74.1	96.2	160.2	-89.2	-21.1	0	0	0	118.5
36	E	28.1	Very low	29.7	Very low	198 Å²	198	145.1 Å²	145.1	93%	0.925	80%	0.803	S	S	*	*				-144.4	131.9	126.1	-78.8	-158.7	157.4	0	0	110.6
37	T	29.7	Very low	31	Very low	136 Å²	136	140.8 Å²	140.8	83%	0.834	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.4	121.3	-168.3	18.6	0	0	0	0	112.4
38	A	27.5	Very low	33.1	Very low	91 Å²	91	141.4 Å²	141.4	75%	0.752	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-82.1	138.7	170.9	0	0	0	0	0	110.9
39	P	29.5	Very low	35.4	Very low	122 Å²	122	139.8 Å²	139.8	79%	0.792	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-72.1	133.2	-178.6	26.4	-28.1	0	0	0	111.2	T41	P39-T41 PolarHBondContact O-N 3.38Å
40	E	27.6	Very low	37.9	Very low	199 Å²	199	139 Å²	139	93%	0.93	76%	0.755	S	S	*	*			trans	-54.7	115.2	-178.4	-69.5	-177.4	153.5	0	0	111.8
41	T	27.3	Very low	40.6	Very low	116 Å²	116	132.7 Å²	132.7	71%	0.712	74%	0.743	S	S	*	*			trans	-82.6	120.8	165.6	34.3	0	0	0	0	108	P39 Q43	P39-T41 PolarHBondContact O-N 3.38Å; T41-Q43 VanDerWaalsContact C-N 3.25Å; T41-Q43 PolarHBondContact O-N 3.13Å
42	S	31.5	Very low	43.5	Very low	129 Å²	129	125.7 Å²	125.7	90%	0.902	71%	0.707	S	S	*	*			trans	-65	84.3	174.9	49.3	0	0	0	0	110.6	S44	S42-S44 PolarHBondContact O-N 3.49Å
43	Q	36.8	Very low	46.6	Very low	149 Å²	149	122.9 Å²	122.9	70%	0.696	68%	0.68	S	S	*	*			trans	-64.1	119.7	168.2	-68.1	177.2	2.4	0	0	108.1	T41 N45	T41-Q43 VanDerWaalsContact C-N 3.25Å; T41-Q43 PolarHBondContact O-N 3.13Å; Q43-N45 PolarHBondContact O-N 2.94Å
44	S	36.9	Very low	49.6	Very low	115 Å²	115	124.6 Å²	124.6	80%	0.804	68%	0.675	S	S	*	*			trans	-68.8	78.9	162.4	68	0	0	0	0	108.2	S42 R46	S42-S44 PolarHBondContact O-N 3.49Å; S44-R46 PolarHBondContact O-N 3.24Å
45	N	36.7	Very low	52.6	Low	134 Å²	134	121.6 Å²	121.6	72%	0.717	66%	0.656	S	S	*	*			trans	-71	99.8	179	-146.8	2.9	0	0	0	107	Q43 D47	Q43-N45 PolarHBondContact O-N 2.94Å; N45-D47 PolarHBondContact O-N 3.11Å
46	R	53	Low	55.6	Low	174 Å²	174	115.1 Å²	115.1	66%	0.657	62%	0.621	S	S	*	*			trans	-69.2	100.3	171.1	-72	-174.3	-178.9	-178.8	0.3	106.6	S44 F48	S44-R46 PolarHBondContact O-N 3.24Å; R46-F48 HydrophobicContact CB-CE2 4.18Å; R46-F48 HydrophobicContact CB-CZ 4.28Å; R46-F48 WeakPolarHBondContact O-CD2 3.48Å; R46-F48 WeakPolarHBondContact O-CE2 3.38Å; R46-F48 PolarHBondContact O-N 3.21Å
47	D	57.1	Low	58.7	Low	108 Å²	108	108.5 Å²	108.5	58%	0.578	60%	0.6	S	S	*	*			trans	-66.7	100.2	-177.9	-172.1	4.5	0	0	0	110.6	N45 S49	N45-D47 PolarHBondContact O-N 3.11Å; D47-S49 PolarHBondContact O-N 3.08Å; D47-S49 WeakPolarHBondContact OD1-CB 3.37Å; D47-S49 PolarHBondContact OD1-N 3.34Å; D47-S49 PolarHBondContact OD1-OG 3.13Å; D47-S49 PolarHBondContact OD2-OG 3.3Å
48	F	68.3	Low	61.6	Low	139 Å²	139	108 Å²	108	61%	0.61	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	4.3	176.3	-66.6	-76.8	0	0	0	112.8	R46 H50 Y53	R46-F48 HydrophobicContact CB-CE2 4.18Å; R46-F48 HydrophobicContact CB-CZ 4.28Å; R46-F48 WeakPolarHBondContact O-CD2 3.48Å; R46-F48 WeakPolarHBondContact O-CE2 3.38Å; R46-F48 PolarHBondContact O-N 3.21Å; F48-H50 PolarHBondContact O-N 3.32Å; F48-Y53 HydrophobicContact CB-CD2 4.48Å; F48-Y53 HydrophobicContact CD1-CD1 4.04Å; F48-Y53 HydrophobicContact CD1-CD2 4.33Å; F48-Y53 AromaticContact CD1-CE1 3.87Å; F48-Y53 HydrophobicContact CD1-CE1 3.87Å; F48-Y53 HydrophobicContact CD1-CE2 4.16Å; F48-Y53 HydrophobicContact CD1-CG 4.28Å; F48-Y53 AromaticContact CD1-CZ 3.93Å; F48-Y53 HydrophobicContact CE1-CE1 4.12Å
49	S	72.8	Confident	64.7	Low	89 Å²	89	105.2 Å²	105.2	62%	0.622	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-17.1	177.3	76.2	0	0	0	0	113.2	D47	D47-S49 PolarHBondContact O-N 3.08Å; D47-S49 WeakPolarHBondContact OD1-CB 3.37Å; D47-S49 PolarHBondContact OD1-N 3.34Å; D47-S49 PolarHBondContact OD1-OG 3.13Å; D47-S49 PolarHBondContact OD2-OG 3.3Å
50	H	77.5	Confident	67.8	Low	88 Å²	88	101.6 Å²	101.6	41%	0.407	54%	0.543	S	S	.	.	S	Bend	trans	-61.2	131.6	-176	-165.9	-85.5	0	0	0	112	F48 V52 Y53	F48-H50 PolarHBondContact O-N 3.32Å; H50-V52 HydrophobicContact CB-CG1 4.2Å; H50-V52 VanDerWaalsContact ND1-CB 3.34Å; H50-V52 WeakPolarHBondContact ND1-CB 3.2Å; H50-V52 WeakPolarHBondContact ND1-CG1 3.15Å; H50-V52 PolarHBondContact ND1-N 3.23Å; H50-V52 PolarHBondContact O-N 2.77Å; H50-Y53 HydrophobicContact CB-CD2 4Å; H50-Y53 HydrophobicContact CB-CE2 4.19Å; H50-Y53 PolarHBondContact O-N 3.31Å
51	P	84.6	Confident	71	Confident	93 Å²	93	93.1 Å²	93.1	60%	0.604	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.2	-176.2	-29.6	34.7	0	0	0	115.1	Y53 K54 E55	P51-Y53 PolarHBondContact O-N 3.21Å; P51-Y53 VanDerWaalsContact O-N 3.13Å; P51-K54 WeakPolarHBondContact O-CB 3.3Å; P51-K54 PolarHBondContact O-N 3.44Å; P51-E55 PolarHBondContact O-N 2.92Å
52	V	87	Confident	74.3	Confident	9 Å²	9	93 Å²	93	6%	0.055	50%	0.5	C	S	.	.	H	α-helix	trans	-52.8	-33.4	175.8	77.6	0	0	0	0	112.8	H50 K54 E55 I56 K101 L102	H50-V52 HydrophobicContact CB-CG1 4.2Å; H50-V52 VanDerWaalsContact ND1-CB 3.34Å; H50-V52 WeakPolarHBondContact ND1-CB 3.2Å; H50-V52 WeakPolarHBondContact ND1-CG1 3.15Å; H50-V52 PolarHBondContact ND1-N 3.23Å; H50-V52 PolarHBondContact O-N 2.77Å; V52-K54 VanDerWaalsContact C-N 3.33Å; V52-K54 PolarHBondContact O-N 2.87Å; V52-E55 PolarHBondContact O-N 3.16Å; V52-I56 HydrophobicContact CG2-CD1 4.18Å; V52-I56 WeakPolarHBondContact O-CD1 3.29Å; V52-I56 VanDerWaalsContact O-CG1 3.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.27Å; V52-I56 PolarHBondContact O-N 2.8Å; V52-K101 HydrophobicContact CG2-CB 3.84Å; V52-L102 HydrophobicContact CG1-CD2 4.05Å
53	Y	87.4	Confident	77.4	Confident	62 Å²	62	87 Å²	87	24%	0.243	46%	0.458	C	S	.	.	H	α-helix	trans	-70.9	-29.2	179.7	-70.9	-69.5	0	0	0	112.7	F48 H50 P51 I56 A57 L102	F48-Y53 HydrophobicContact CB-CD2 4.48Å; F48-Y53 HydrophobicContact CD1-CD1 4.04Å; F48-Y53 HydrophobicContact CD1-CD2 4.33Å; F48-Y53 AromaticContact CD1-CE1 3.87Å; F48-Y53 HydrophobicContact CD1-CE1 3.87Å; F48-Y53 HydrophobicContact CD1-CE2 4.16Å; F48-Y53 HydrophobicContact CD1-CG 4.28Å; F48-Y53 AromaticContact CD1-CZ 3.93Å; F48-Y53 HydrophobicContact CE1-CE1 4.12Å; H50-Y53 HydrophobicContact CB-CD2 4Å; H50-Y53 HydrophobicContact CB-CE2 4.19Å; H50-Y53 PolarHBondContact O-N 3.31Å; P51-Y53 PolarHBondContact O-N 3.21Å; P51-Y53 VanDerWaalsContact O-N 3.13Å; Y53-I56 HydrophobicContact CD1-CD1 4.13Å; Y53-I56 PolarHBondContact O-N 3.1Å; Y53-A57 WeakPolarHBondContact O-CB 3.27Å; Y53-A57 PolarHBondContact O-N 3.06Å; Y53-L102 HydrophobicContact CE1-CD2 4.16Å
54	K	88.9	Confident	80.2	Confident	160 Å²	160	83.6 Å²	83.6	70%	0.696	44%	0.444	S	S	*	.	H	α-helix	trans	-67.2	-42	172.6	-170.6	176.9	-180	179.3	0	110.9	P51 V52 A57 L58	P51-K54 WeakPolarHBondContact O-CB 3.3Å; P51-K54 PolarHBondContact O-N 3.44Å; V52-K54 VanDerWaalsContact C-N 3.33Å; V52-K54 PolarHBondContact O-N 2.87Å; K54-A57 WeakPolarHBondContact O-CB 3.44Å; K54-A57 PolarHBondContact O-N 3.38Å; K54-L58 WeakPolarHBondContact O-CG 3.27Å; K54-L58 PolarHBondContact O-N 2.8Å
55	E	88.9	Confident	83.1	Confident	94 Å²	94	87.1 Å²	87.1	44%	0.439	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-44.5	174.3	-64.4	-177.2	-160.6	0	0	111.9	P51 V52 A57 L58 A59 K101	P51-E55 PolarHBondContact O-N 2.92Å; V52-E55 PolarHBondContact O-N 3.16Å; E55-A57 VanDerWaalsContact C-N 3.28Å; E55-A57 PolarHBondContact O-N 3.13Å; E55-L58 PolarHBondContact O-N 2.84Å; E55-A59 PolarHBondContact O-N 2.85Å; E55-K101 WeakPolarHBondContact OE2-CE 3.26Å; E55-K101 IonicContact OE2-NZ 3.3Å; E55-K101 PolarHBondContact OE2-NZ 2.82Å
56	I	90.6	Very high	86	Confident	12 Å²	12	81.1 Å²	81.1	6%	0.062	41%	0.408	C	S	.	.	H	α-helix	trans	-59.6	-41.2	175.5	-68.6	161.6	0	0	0	110.4	V52 Y53 A59 N60 K98 K101 L102	V52-I56 HydrophobicContact CG2-CD1 4.18Å; V52-I56 WeakPolarHBondContact O-CD1 3.29Å; V52-I56 VanDerWaalsContact O-CG1 3.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.27Å; V52-I56 PolarHBondContact O-N 2.8Å; Y53-I56 HydrophobicContact CD1-CD1 4.13Å; Y53-I56 PolarHBondContact O-N 3.1Å; I56-A59 PolarHBondContact O-N 2.94Å; I56-N60 WeakPolarHBondContact O-CB 3.5Å; I56-N60 PolarHBondContact O-N 3.26Å; I56-N60 PolarHBondContact O-ND2 2.86Å; I56-K98 HydrophobicContact CD1-CG 4.2Å; I56-K98 HydrophobicContact CG2-CB 4.39Å; I56-K98 HydrophobicContact CG2-CG 4.43Å; I56-K101 HydrophobicContact CD1-CB 4.23Å; I56-K101 HydrophobicContact CG1-CB 4.01Å; I56-K101 HydrophobicContact CG1-CG 4.4Å; I56-L102 HydrophobicContact CD1-CD2 4.27Å; I56-L102 HydrophobicContact CD1-CG 4.25Å
57	A	92.4	Very high	88.1	Confident	60 Å²	60	75 Å²	75	50%	0.496	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-43.4	177.4	0	0	0	0	0	112.4	Y53 K54 E55 N60 G61	Y53-A57 WeakPolarHBondContact O-CB 3.27Å; Y53-A57 PolarHBondContact O-N 3.06Å; K54-A57 WeakPolarHBondContact O-CB 3.44Å; K54-A57 PolarHBondContact O-N 3.38Å; E55-A57 VanDerWaalsContact C-N 3.28Å; E55-A57 PolarHBondContact O-N 3.13Å; A57-N60 WeakPolarHBondContact O-CB 3.44Å; A57-N60 PolarHBondContact O-N 2.71Å; A57-G61 PolarHBondContact O-N 3.19Å
58	L	92.3	Very high	90	Very high	124 Å²	124	74.1 Å²	74.1	65%	0.649	38%	0.383	S	S	*	.	H	α-helix	trans	-62.5	-46.1	175.6	-69.8	171.9	0	0	0	111.8	K54 E55 N60 G61 H62	K54-L58 WeakPolarHBondContact O-CG 3.27Å; K54-L58 PolarHBondContact O-N 2.8Å; E55-L58 PolarHBondContact O-N 2.84Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 2.97Å; L58-G61 PolarHBondContact O-N 3.45Å; L58-G61 VanDerWaalsContact O-N 3.14Å; L58-H62 PolarHBondContact O-N 3.33Å
59	A	92.4	Very high	91.4	Very high	34 Å²	34	72.1 Å²	72.1	28%	0.281	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-44.5	175.7	0	0	0	0	0	111.5	E55 I56 G61 H62 I63	E55-A59 PolarHBondContact O-N 2.85Å; I56-A59 PolarHBondContact O-N 2.94Å; A59-G61 VanDerWaalsContact C-N 3.28Å; A59-G61 PolarHBondContact O-N 3.34Å; A59-H62 PolarHBondContact O-N 3.48Å; A59-I63 VanDerWaalsContact O-CG1 3.28Å; A59-I63 WeakPolarHBondContact O-CG1 3.49Å; A59-I63 PolarHBondContact O-N 2.82Å
60	N	94.7	Very high	92.6	Very high	46 Å²	46	72.7 Å²	72.7	25%	0.246	37%	0.371	C	S	.	.	H	α-helix	trans	-59.5	-39.3	175.4	-73.1	-25.7	0	0	0	112.2	I56 A57 L58 I63 N64 K94	I56-N60 WeakPolarHBondContact O-CB 3.5Å; I56-N60 PolarHBondContact O-N 3.26Å; I56-N60 PolarHBondContact O-ND2 2.86Å; A57-N60 WeakPolarHBondContact O-CB 3.44Å; A57-N60 PolarHBondContact O-N 2.71Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 2.97Å; N60-I63 PolarHBondContact O-N 2.89Å; N60-N64 WeakPolarHBondContact O-CB 3.45Å; N60-N64 VanDerWaalsContact O-CG 3.26Å; N60-N64 PolarHBondContact O-N 2.94Å; N60-N64 PolarHBondContact O-ND2 2.96Å; N60-K94 HydrophobicContact CB-CD 4.49Å; N60-K94 WeakPolarHBondContact OD1-CB 3.4Å; N60-K94 WeakPolarHBondContact OD1-CG 3.49Å
61	G	94.9	Very high	93.6	Very high	20 Å²	20	68.5 Å²	68.5	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-43.2	175.3	0	0	0	0	0	112.5	A57 L58 A59 N64 R65	A57-G61 PolarHBondContact O-N 3.19Å; L58-G61 PolarHBondContact O-N 3.45Å; L58-G61 VanDerWaalsContact O-N 3.14Å; A59-G61 VanDerWaalsContact C-N 3.28Å; A59-G61 PolarHBondContact O-N 3.34Å; G61-N64 PolarHBondContact O-N 3.38Å; G61-R65 PolarHBondContact O-NH1 3.26Å
62	H	95.6	Very high	94.2	Very high	114 Å²	114	68.4 Å²	68.4	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-63.5	-49.3	174.8	-177	77.5	0	0	0	111.6	L58 A59 N64 R65 M66	L58-H62 PolarHBondContact O-N 3.33Å; A59-H62 PolarHBondContact O-N 3.48Å; H62-N64 PolarHBondContact O-N 3.24Å; H62-R65 PolarHBondContact O-N 2.97Å; H62-M66 PolarHBondContact O-N 3.13Å
63	I	96.6	Very high	94.8	Very high	4 Å²	4	71.9 Å²	71.9	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-59.1	-33.8	179.2	-63.8	162.5	0	0	0	112	A59 N60 R65 M66 L71 K90 L93 K94 Y97	A59-I63 VanDerWaalsContact O-CG1 3.28Å; A59-I63 WeakPolarHBondContact O-CG1 3.49Å; A59-I63 PolarHBondContact O-N 2.82Å; N60-I63 PolarHBondContact O-N 2.89Å; I63-R65 PolarHBondContact O-N 2.87Å; I63-M66 HydrophobicContact CB-SD 4.43Å; I63-M66 HydrophobicContact CG1-SD 4.27Å; I63-M66 PolarHBondContact O-N 2.78Å; I63-L71 HydrophobicContact CG2-CD2 3.96Å; I63-K90 HydrophobicContact CG2-CB 4.29Å; I63-K90 HydrophobicContact CG2-CG 4.23Å; I63-L93 HydrophobicContact CD1-CB 4.46Å; I63-L93 HydrophobicContact CD1-CD2 4.32Å; I63-L93 HydrophobicContact CD1-CG 3.98Å; I63-L93 HydrophobicContact CG1-CD2 3.97Å; I63-L93 HydrophobicContact CG1-CG 4.19Å; I63-L93 HydrophobicContact CG2-CB 4.35Å; I63-L93 HydrophobicContact CG2-CD2 4.15Å; I63-L93 HydrophobicContact CG2-CG 4.5Å; I63-K94 HydrophobicContact CB-CG 4.17Å; I63-K94 HydrophobicContact CD1-CB 4.4Å; I63-K94 HydrophobicContact CD1-CG 3.76Å; I63-K94 HydrophobicContact CG2-CG 3.85Å; I63-Y97 HydrophobicContact CD1-CD2 3.81Å; I63-Y97 HydrophobicContact CD1-CE2 4.33Å
64	N	96	Very high	95.3	Very high	77 Å²	77	72.5 Å²	72.5	41%	0.412	36%	0.364	S	S	.	.	H	α-helix	trans	-61.9	-32.5	176.9	-83.2	-23.9	0	0	0	113.5	N60 G61 H62 K90 K94	N60-N64 WeakPolarHBondContact O-CB 3.45Å; N60-N64 VanDerWaalsContact O-CG 3.26Å; N60-N64 PolarHBondContact O-N 2.94Å; N60-N64 PolarHBondContact O-ND2 2.96Å; G61-N64 PolarHBondContact O-N 3.38Å; H62-N64 PolarHBondContact O-N 3.24Å; N64-K90 WeakPolarHBondContact O-CE 3.33Å; N64-K90 PolarHBondContact O-NZ 2.84Å; N64-K94 VanDerWaalsContact OD1-CE 3.24Å; N64-K94 WeakPolarHBondContact OD1-CE 3.39Å; N64-K94 PolarHBondContact OD1-NZ 2.95Å
65	R	96.9	Very high	95.7	Very high	188 Å²	188	64.9 Å²	64.9	71%	0.709	33%	0.331	S	S	*	.	H	α-helix	trans	-85	-16.2	-178.4	-67.5	-176.9	-70.9	-92.8	4	113.5	G61 H62 I63	G61-R65 PolarHBondContact O-NH1 3.26Å; H62-R65 PolarHBondContact O-N 2.97Å; I63-R65 PolarHBondContact O-N 2.87Å
66	M	97.8	Very high	96.1	Very high	9 Å²	9	63 Å²	63	4%	0.044	33%	0.332	C	S	.	.			trans	-62.6	142.7	-179.1	-64.8	174	73.2	0	0	112.7	H62 I63 E70 L71 K74 K86 L93	H62-M66 PolarHBondContact O-N 3.13Å; I63-M66 HydrophobicContact CB-SD 4.43Å; I63-M66 HydrophobicContact CG1-SD 4.27Å; I63-M66 PolarHBondContact O-N 2.78Å; M66-E70 VanDerWaalsContact CA-OE2 3.24Å; M66-E70 WeakPolarHBondContact CA-OE2 3.29Å; M66-E70 HydrophobicContact CB-CB 4.21Å; M66-E70 VanDerWaalsContact CE-C 3.48Å; M66-E70 HydrophobicContact CE-CB 3.8Å; M66-E70 WeakPolarHBondContact CE-O 3.49Å; M66-L71 HydrophobicContact CB-CD2 3.95Å; M66-L71 HydrophobicContact CB-CG 3.82Å; M66-L71 HydrophobicContact CE-CD2 4.14Å; M66-L71 HydrophobicContact CE-CG 4.4Å; M66-L71 HydrophobicContact SD-CD2 3.89Å; M66-K74 HydrophobicContact CE-CB 3.94Å; M66-K74 HydrophobicContact CE-CG 3.42Å; M66-K74 VanDerWaalsContact CE-CG 3.42Å; M66-K86 WeakPolarHBondContact O-CE 3.34Å; M66-K86 PolarHBondContact O-NZ 3.5Å; M66-K86 VanDerWaalsContact O-NZ 3.16Å; M66-L93 HydrophobicContact CE-CD2 4.23Å; M66-L93 HydrophobicContact SD-CD2 3.95Å
67	S	97.8	Very high	96.5	Very high	45 Å²	45	67.9 Å²	67.9	32%	0.315	35%	0.354	S	S	.	.			trans	-70.2	167.5	168.2	84.7	0	0	0	0	111	D69 E70 L71	S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 PolarHBondContact O-N 3.34Å; S67-D69 PolarHBondContact OG-N 2.73Å; S67-E70 PolarHBondContact N-OE2 2.93Å; S67-E70 WeakPolarHBondContact OG-CG 3.42Å; S67-E70 PolarHBondContact OG-N 3.07Å; S67-E70 VanDerWaalsContact OG-N 3.14Å; S67-E70 PolarHBondContact OG-OE2 3.28Å; S67-L71 WeakPolarHBondContact O-CB 3.47Å; S67-L71 WeakPolarHBondContact O-CD1 3.39Å; S67-L71 WeakPolarHBondContact O-CG 3.36Å; S67-L71 PolarHBondContact O-N 3.26Å; S67-L71 VanDerWaalsContact O-N 3.08Å
68	K	96.9	Very high	96.7	Very high	90 Å²	90	67.7 Å²	67.7	39%	0.391	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-36	177.7	-171.5	179.5	179.2	-177.1	0	111.4	R72 M89	K68-R72 PolarHBondContact O-N 3.44Å; K68-M89 HydrophobicContact CG-SD 4.12Å
69	D	97.8	Very high	96.9	Very high	96 Å²	96	71.1 Å²	71.1	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-74.5	-41	-178.4	-60.7	-32.1	0	0	0	111.5	S67 L71 R72 V73	S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 PolarHBondContact O-N 3.34Å; S67-D69 PolarHBondContact OG-N 2.73Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-L71 PolarHBondContact O-N 2.85Å; D69-R72 WeakPolarHBondContact O-CB 3.22Å; D69-R72 PolarHBondContact O-N 3.09Å; D69-R72 VanDerWaalsContact O-N 3.14Å; D69-R72 IonicContact OD1-CZ 3.55Å; D69-R72 IonicContact OD1-NH1 3Å; D69-R72 PolarHBondContact OD1-NH1 2.91Å; D69-V73 WeakPolarHBondContact O-CG2 3.18Å; D69-V73 PolarHBondContact O-N 2.78Å
70	E	98.2	Very high	97.1	Very high	102 Å²	102	71.7 Å²	71.7	48%	0.477	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-43.4	172.4	-69.9	171.9	149.3	0	0	111.5	M66 S67 R72 V73 K74	M66-E70 VanDerWaalsContact CA-OE2 3.24Å; M66-E70 WeakPolarHBondContact CA-OE2 3.29Å; M66-E70 HydrophobicContact CB-CB 4.21Å; M66-E70 VanDerWaalsContact CE-C 3.48Å; M66-E70 HydrophobicContact CE-CB 3.8Å; M66-E70 WeakPolarHBondContact CE-O 3.49Å; S67-E70 PolarHBondContact N-OE2 2.93Å; S67-E70 WeakPolarHBondContact OG-CG 3.42Å; S67-E70 PolarHBondContact OG-N 3.07Å; S67-E70 VanDerWaalsContact OG-N 3.14Å; S67-E70 PolarHBondContact OG-OE2 3.28Å; E70-R72 VanDerWaalsContact C-N 3.32Å; E70-R72 PolarHBondContact O-N 3.36Å; E70-V73 PolarHBondContact O-N 2.88Å; E70-K74 WeakPolarHBondContact O-CG 3.39Å; E70-K74 PolarHBondContact O-N 2.82Å
71	L	98.1	Very high	97.2	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.7	-43.7	175.1	-72.5	165.2	0	0	0	111.1	I63 M66 S67 D69 K74 L75 K86 M89 K90 L93	I63-L71 HydrophobicContact CG2-CD2 3.96Å; M66-L71 HydrophobicContact CB-CD2 3.95Å; M66-L71 HydrophobicContact CB-CG 3.82Å; M66-L71 HydrophobicContact CE-CD2 4.14Å; M66-L71 HydrophobicContact CE-CG 4.4Å; M66-L71 HydrophobicContact SD-CD2 3.89Å; S67-L71 WeakPolarHBondContact O-CB 3.47Å; S67-L71 WeakPolarHBondContact O-CD1 3.39Å; S67-L71 WeakPolarHBondContact O-CG 3.36Å; S67-L71 PolarHBondContact O-N 3.26Å; S67-L71 VanDerWaalsContact O-N 3.08Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-L71 PolarHBondContact O-N 2.85Å; L71-K74 PolarHBondContact O-N 3.44Å; L71-L75 WeakPolarHBondContact O-CB 3.38Å; L71-L75 WeakPolarHBondContact O-CG 3.38Å; L71-L75 PolarHBondContact O-N 2.93Å; L71-K86 HydrophobicContact CD1-CG 3.81Å; L71-M89 HydrophobicContact CB-CB 4.14Å; L71-M89 HydrophobicContact CB-SD 4.27Å; L71-M89 HydrophobicContact CD1-CB 4.26Å; L71-K90 HydrophobicContact CD1-CG 3.6Å; L71-K90 HydrophobicContact CD2-CG 4.1Å; L71-L93 HydrophobicContact CD2-CD2 3.78Å
72	R	97.9	Very high	97.4	Very high	90 Å²	90	72.7 Å²	72.7	34%	0.34	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-46.6	178.8	-166.9	-175.3	-68.6	103.3	-7.1	111.5	K68 D69 E70 L75 A76 T82	K68-R72 PolarHBondContact O-N 3.44Å; D69-R72 WeakPolarHBondContact O-CB 3.22Å; D69-R72 PolarHBondContact O-N 3.09Å; D69-R72 VanDerWaalsContact O-N 3.14Å; D69-R72 IonicContact OD1-CZ 3.55Å; D69-R72 IonicContact OD1-NH1 3Å; D69-R72 PolarHBondContact OD1-NH1 2.91Å; E70-R72 VanDerWaalsContact C-N 3.32Å; E70-R72 PolarHBondContact O-N 3.36Å; R72-L75 PolarHBondContact O-N 3.28Å; R72-A76 WeakPolarHBondContact O-CB 3.47Å; R72-A76 PolarHBondContact O-N 2.84Å; R72-T82 HydrophobicContact CG-CG2 4.27Å
73	V	98.3	Very high	97.5	Very high	82 Å²	82	72.9 Å²	72.9	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-48.9	177.3	171.9	0	0	0	0	110.3	D69 E70 L75 A76 E77	D69-V73 WeakPolarHBondContact O-CG2 3.18Å; D69-V73 PolarHBondContact O-N 2.78Å; E70-V73 PolarHBondContact O-N 2.88Å; V73-L75 PolarHBondContact O-N 2.77Å; V73-A76 WeakPolarHBondContact O-CB 3.36Å; V73-A76 PolarHBondContact O-N 3.02Å; V73-E77 WeakPolarHBondContact O-CG 3.18Å; V73-E77 PolarHBondContact O-N 3.01Å
74	K	97.9	Very high	97.4	Very high	75 Å²	75	73.4 Å²	73.4	33%	0.326	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-37.9	178.9	-71.9	-46.6	-171.1	-166.6	0	114	M66 E70 L71 A76 E77 L78 L93	M66-K74 HydrophobicContact CE-CB 3.94Å; M66-K74 HydrophobicContact CE-CG 3.42Å; M66-K74 VanDerWaalsContact CE-CG 3.42Å; E70-K74 WeakPolarHBondContact O-CG 3.39Å; E70-K74 PolarHBondContact O-N 2.82Å; L71-K74 PolarHBondContact O-N 3.44Å; K74-A76 VanDerWaalsContact C-N 3.35Å; K74-E77 WeakPolarHBondContact CD-OE2 3.47Å; K74-E77 VanDerWaalsContact NZ-CD 3.27Å; K74-E77 IonicContact NZ-OE1 3.55Å; K74-E77 PolarHBondContact NZ-OE1 3.19Å; K74-E77 IonicContact NZ-OE2 2.73Å; K74-E77 PolarHBondContact NZ-OE2 3.19Å; K74-L78 WeakPolarHBondContact O-CG 3.35Å; K74-L78 PolarHBondContact O-N 3.1Å; K74-L93 HydrophobicContact CB-CD2 4.18Å
75	L	97.9	Very high	97.5	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.1	-42	173.6	-72.7	170.4	0	0	0	111.2	L71 R72 V73 L78 K79 L80 T82 M89 R92 L93	L71-L75 WeakPolarHBondContact O-CB 3.38Å; L71-L75 WeakPolarHBondContact O-CG 3.38Å; L71-L75 PolarHBondContact O-N 2.93Å; R72-L75 PolarHBondContact O-N 3.28Å; V73-L75 PolarHBondContact O-N 2.77Å; L75-L78 CarbonylContact O-C 3.56Å; L75-L78 PolarHBondContact O-N 2.82Å; L75-K79 PolarHBondContact O-N 3.35Å; L75-L80 HydrophobicContact CB-CB 4.33Å; L75-L80 HydrophobicContact CD2-CB 3.84Å; L75-L80 HydrophobicContact CD2-CD1 3.7Å; L75-L80 HydrophobicContact CD2-CG 4.44Å; L75-L80 PolarHBondContact O-N 2.94Å; L75-T82 HydrophobicContact CB-CG2 4.01Å; L75-M89 HydrophobicContact CD1-CB 3.65Å; L75-M89 HydrophobicContact CD1-CG 3.73Å; L75-M89 HydrophobicContact CD1-SD 4.42Å; L75-R92 HydrophobicContact CD2-CB 4.33Å; L75-R92 HydrophobicContact CD2-CG 3.71Å; L75-L93 HydrophobicContact CD2-CB 4.12Å; L75-L93 HydrophobicContact CD2-CD1 4.18Å
76	A	97.7	Very high	97.4	Very high	55 Å²	55	66.6 Å²	66.6	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-44.9	177.6	0	0	0	0	0	112.4	R72 V73 K74 L78 K79 T82	R72-A76 WeakPolarHBondContact O-CB 3.47Å; R72-A76 PolarHBondContact O-N 2.84Å; V73-A76 WeakPolarHBondContact O-CB 3.36Å; V73-A76 PolarHBondContact O-N 3.02Å; K74-A76 VanDerWaalsContact C-N 3.35Å; A76-L78 PolarHBondContact O-N 3.04Å; A76-K79 PolarHBondContact O-N 3.44Å; A76-T82 HydrophobicContact CB-CG2 3.91Å
77	E	97.8	Very high	97.3	Very high	114 Å²	114	70.1 Å²	70.1	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-54.9	-39.4	174.5	-73.8	173.6	-164.6	0	0	111.8	V73 K74 K79	V73-E77 WeakPolarHBondContact O-CG 3.18Å; V73-E77 PolarHBondContact O-N 3.01Å; K74-E77 WeakPolarHBondContact CD-OE2 3.47Å; K74-E77 VanDerWaalsContact NZ-CD 3.27Å; K74-E77 IonicContact NZ-OE1 3.55Å; K74-E77 PolarHBondContact NZ-OE1 3.19Å; K74-E77 IonicContact NZ-OE2 2.73Å; K74-E77 PolarHBondContact NZ-OE2 3.19Å; E77-K79 VanDerWaalsContact C-N 3.26Å; E77-K79 PolarHBondContact O-N 3.48Å
78	L	96.8	Very high	97.3	Very high	57 Å²	57	68 Å²	68	30%	0.298	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	5.8	179.4	-64.1	173.3	0	0	0	113.7	K74 L75 A76 L80 L93 Y97	K74-L78 WeakPolarHBondContact O-CG 3.35Å; K74-L78 PolarHBondContact O-N 3.1Å; L75-L78 CarbonylContact O-C 3.56Å; L75-L78 PolarHBondContact O-N 2.82Å; A76-L78 PolarHBondContact O-N 3.04Å; L78-L80 HydrophobicContact CB-CD1 3.97Å; L78-L80 HydrophobicContact CB-CG 3.94Å; L78-L80 HydrophobicContact CD1-CD1 4.22Å; L78-L80 PolarHBondContact O-N 2.97Å; L78-L93 HydrophobicContact CD1-CD1 3.52Å; L78-Y97 HydrophobicContact CD1-CE2 4.37Å
79	K	97.1	Very high	97.3	Very high	195 Å²	195	63.8 Å²	63.8	85%	0.848	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	32.4	-175	-55.4	-179.9	-179.5	179.9	0	113.1	L75 A76 E77	L75-K79 PolarHBondContact O-N 3.35Å; A76-K79 PolarHBondContact O-N 3.44Å; E77-K79 VanDerWaalsContact C-N 3.26Å; E77-K79 PolarHBondContact O-N 3.48Å
80	L	97	Very high	97.3	Very high	46 Å²	46	60.7 Å²	60.7	24%	0.241	30%	0.3	C	S	.	.			trans	-93.2	154.6	173.3	-61.2	174.2	0	0	0	109.6	L75 L78 T82 R92 H96	L75-L80 HydrophobicContact CB-CB 4.33Å; L75-L80 HydrophobicContact CD2-CB 3.84Å; L75-L80 HydrophobicContact CD2-CD1 3.7Å; L75-L80 HydrophobicContact CD2-CG 4.44Å; L75-L80 PolarHBondContact O-N 2.94Å; L78-L80 HydrophobicContact CB-CD1 3.97Å; L78-L80 HydrophobicContact CB-CG 3.94Å; L78-L80 HydrophobicContact CD1-CD1 4.22Å; L78-L80 PolarHBondContact O-N 2.97Å; L80-T82 PolarHBondContact O-N 3.45Å; L80-R92 HydrophobicContact CD1-CG 4.42Å; L80-H96 HydrophobicContact CD1-CB 3.82Å
81	D	97.1	Very high	97.2	Very high	38 Å²	38	58.4 Å²	58.4	20%	0.203	29%	0.289	C	S	.	.			trans	-56.6	135.9	173.3	-176.7	-72.1	0	0	0	110.8	R83 R92 R297	D81-R83 WeakPolarHBondContact OD1-CA 3.15Å; D81-R83 VanDerWaalsContact OD1-CB 3.26Å; D81-R83 WeakPolarHBondContact OD1-CB 3.41Å; D81-R83 PolarHBondContact OD1-N 3.32Å; D81-R83 IonicContact OD1-NE 2.68Å; D81-R83 IonicContact OD2-CZ 2.66Å; D81-R83 VanDerWaalsContact OD2-CZ 3.28Å; D81-R83 IonicContact OD2-NE 3.69Å; D81-R83 PolarHBondContact OD2-NE 3.12Å; D81-R83 IonicContact OD2-NH2 3.77Å; D81-R83 PolarHBondContact OD2-NH2 2.98Å; D81-R92 VanDerWaalsContact O-CD 3.27Å; D81-R92 WeakPolarHBondContact O-CD 3.42Å; D81-R92 PolarHBondContact O-NH1 3.22Å; D81-R92 IonicContact OD1-CZ 3.28Å; D81-R92 IonicContact OD1-NH1 2.7Å; D81-R92 PolarHBondContact OD1-NH1 2.91Å; D81-R92 VanDerWaalsContact OD1-NH1 3.15Å; D81-R297 IonicContact OD1-NH1 3.13Å; D81-R297 IonicContact OD2-NH1 2.66Å; D81-R297 PolarHBondContact OD2-NH1 2.95Å
82	T	97.6	Very high	97.2	Very high	50 Å²	50	58.6 Å²	58.6	31%	0.307	29%	0.29	S	S	.	.			trans	-107.5	7.1	-174.1	56.5	0	0	0	0	113.2	R72 L75 A76 L80 M89	R72-T82 HydrophobicContact CG-CG2 4.27Å; L75-T82 HydrophobicContact CB-CG2 4.01Å; A76-T82 HydrophobicContact CB-CG2 3.91Å; L80-T82 PolarHBondContact O-N 3.45Å; T82-M89 WeakPolarHBondContact O-CE 3.38Å
83	R	97.6	Very high	97.1	Very high	118 Å²	118	54.4 Å²	54.4	45%	0.445	27%	0.274	S	S	.	.			trans	-88.5	161.4	-179.1	-59.7	177.2	-68.2	172.6	-6	111.6	D81 R92	D81-R83 WeakPolarHBondContact OD1-CA 3.15Å; D81-R83 VanDerWaalsContact OD1-CB 3.26Å; D81-R83 WeakPolarHBondContact OD1-CB 3.41Å; D81-R83 PolarHBondContact OD1-N 3.32Å; D81-R83 IonicContact OD1-NE 2.68Å; D81-R83 IonicContact OD2-CZ 2.66Å; D81-R83 VanDerWaalsContact OD2-CZ 3.28Å; D81-R83 IonicContact OD2-NE 3.69Å; D81-R83 PolarHBondContact OD2-NE 3.12Å; D81-R83 IonicContact OD2-NH2 3.77Å; D81-R83 PolarHBondContact OD2-NH2 2.98Å; R83-R92 PolarHBondContact O-NH1 3.28Å
84	G	96.4	Very high	97.1	Very high	14 Å²	14	52.7 Å²	52.7	14%	0.144	26%	0.26	C	S	.	.	S	Bend	trans	102.9	-177.5	176.2	0	0	0	0	0	114.7	M89 K272	G84-M89 VanDerWaalsContact O-CE 3.25Å; G84-M89 WeakPolarHBondContact O-CE 3.32Å; G84-K272 CarbonylContact C-O 3.56Å; G84-K272 WeakPolarHBondContact CA-O 3.2Å
85	V	96.4	Very high	96.9	Very high	42 Å²	42	50.2 Å²	50.2	26%	0.255	25%	0.25	S	S	.	.			trans	-79.6	167.4	178.1	-63.4	0	0	0	0	112.3	D87 V88 M89 K272	V85-D87 VanDerWaalsContact C-N 3.27Å; V85-D87 PolarHBondContact O-N 3.18Å; V85-V88 HydrophobicContact CG2-CB 4.3Å; V85-V88 HydrophobicContact CG2-CG2 3.8Å; V85-V88 WeakPolarHBondContact O-CB 3.07Å; V85-V88 PolarHBondContact O-N 2.95Å; V85-V88 VanDerWaalsContact O-N 3.15Å; V85-M89 PolarHBondContact O-N 2.88Å; V85-M89 VanDerWaalsContact O-N 3.1Å; V85-K272 HydrophobicContact CB-CD 4.5Å; V85-K272 HydrophobicContact CG1-CD 3.62Å; V85-K272 HydrophobicContact CG2-CB 4.28Å; V85-K272 HydrophobicContact CG2-CD 4.12Å; V85-K272 PolarHBondContact N-O 3.22Å
86	K	96.2	Very high	96.7	Very high	80 Å²	80	52.4 Å²	52.4	35%	0.348	26%	0.26	S	S	.	.	H	α-helix	trans	-53.2	-42	-175.8	-170.9	176.9	-176.4	176.2	0	112.6	M66 L71 M89 K90	M66-K86 WeakPolarHBondContact O-CE 3.34Å; M66-K86 PolarHBondContact O-NZ 3.5Å; M66-K86 VanDerWaalsContact O-NZ 3.16Å; L71-K86 HydrophobicContact CD1-CG 3.81Å; K86-M89 PolarHBondContact O-N 2.92Å; K86-K90 WeakPolarHBondContact O-CG 3.4Å; K86-K90 PolarHBondContact O-N 2.83Å
87	D	95.1	Very high	96.5	Very high	83 Å²	83	53.9 Å²	53.9	44%	0.444	26%	0.255	S	S	.	.	H	α-helix	trans	-70.8	-35.2	-177.6	-63.4	-39.3	0	0	0	113.2	V85 K90 K91	V85-D87 VanDerWaalsContact C-N 3.27Å; V85-D87 PolarHBondContact O-N 3.18Å; D87-K90 PolarHBondContact O-N 2.89Å; D87-K91 WeakPolarHBondContact O-CB 3.36Å; D87-K91 PolarHBondContact O-N 2.83Å
88	V	96.8	Very high	96.2	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-49.9	171.8	169.3	0	0	0	0	109.9	V85 K90 K91 R92 Y257 L273	V85-V88 HydrophobicContact CG2-CB 4.3Å; V85-V88 HydrophobicContact CG2-CG2 3.8Å; V85-V88 WeakPolarHBondContact O-CB 3.07Å; V85-V88 PolarHBondContact O-N 2.95Å; V85-V88 VanDerWaalsContact O-N 3.15Å; V88-K90 PolarHBondContact O-N 3.42Å; V88-K91 PolarHBondContact O-N 2.87Å; V88-R92 WeakPolarHBondContact O-CB 3.45Å; V88-R92 PolarHBondContact O-N 2.96Å; V88-Y257 HydrophobicContact CB-CD1 4.29Å; V88-Y257 HydrophobicContact CB-CE1 4.34Å; V88-Y257 HydrophobicContact CG1-CE1 4.06Å; V88-Y257 HydrophobicContact CG2-CD1 3.84Å; V88-Y257 HydrophobicContact CG2-CE1 4.12Å; V88-Y257 HydrophobicContact CG2-CG 4.2Å; V88-L273 HydrophobicContact CG1-CD2 3.81Å; V88-L273 HydrophobicContact CG2-CD2 4.04Å
89	M	97.8	Very high	95.9	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-44.5	177.8	-66.8	-178.6	-179.2	0	0	112.3	K68 L71 L75 T82 G84 V85 K86 K91 L93	K68-M89 HydrophobicContact CG-SD 4.12Å; L71-M89 HydrophobicContact CB-CB 4.14Å; L71-M89 HydrophobicContact CB-SD 4.27Å; L71-M89 HydrophobicContact CD1-CB 4.26Å; L75-M89 HydrophobicContact CD1-CB 3.65Å; L75-M89 HydrophobicContact CD1-CG 3.73Å; L75-M89 HydrophobicContact CD1-SD 4.42Å; T82-M89 WeakPolarHBondContact O-CE 3.38Å; G84-M89 VanDerWaalsContact O-CE 3.25Å; G84-M89 WeakPolarHBondContact O-CE 3.32Å; V85-M89 PolarHBondContact O-N 2.88Å; V85-M89 VanDerWaalsContact O-N 3.1Å; K86-M89 PolarHBondContact O-N 2.92Å; M89-K91 PolarHBondContact O-N 3.22Å; M89-L93 WeakPolarHBondContact O-CB 3.44Å; M89-L93 PolarHBondContact O-N 3.43Å
90	K	97.1	Very high	95.5	Very high	31 Å²	31	51.1 Å²	51.1	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-48.5	174.3	-78.1	179.4	170.3	-178.4	0	111.1	I63 N64 L71 K86 D87 V88 R92 L93 K94	I63-K90 HydrophobicContact CG2-CB 4.29Å; I63-K90 HydrophobicContact CG2-CG 4.23Å; N64-K90 WeakPolarHBondContact O-CE 3.33Å; N64-K90 PolarHBondContact O-NZ 2.84Å; L71-K90 HydrophobicContact CD1-CG 3.6Å; L71-K90 HydrophobicContact CD2-CG 4.1Å; K86-K90 WeakPolarHBondContact O-CG 3.4Å; K86-K90 PolarHBondContact O-N 2.83Å; D87-K90 PolarHBondContact O-N 2.89Å; V88-K90 PolarHBondContact O-N 3.42Å; K90-R92 PolarHBondContact O-N 3.32Å; K90-L93 PolarHBondContact O-N 2.93Å; K90-K94 WeakPolarHBondContact O-CB 3.45Å; K90-K94 WeakPolarHBondContact O-CG 3.29Å; K90-K94 PolarHBondContact O-N 3.26Å
91	K	96.9	Very high	95	Very high	53 Å²	53	52.2 Å²	52.2	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-44.9	-175.8	-174	60.9	178.5	175.6	0	111.5	D87 V88 M89 K94 N95 F256 Y257	D87-K91 WeakPolarHBondContact O-CB 3.36Å; D87-K91 PolarHBondContact O-N 2.83Å; V88-K91 PolarHBondContact O-N 2.87Å; M89-K91 PolarHBondContact O-N 3.22Å; K91-K94 PolarHBondContact O-N 3.09Å; K91-N95 WeakPolarHBondContact O-CB 2.96Å; K91-N95 PolarHBondContact O-N 3.27Å; K91-F256 HydrophobicContact CD-CE2 4.48Å; K91-F256 HydrophobicContact CD-CZ 4.44Å; K91-F256 WeakPolarHBondContact CD-O 3.25Å; K91-F256 VanDerWaalsContact CE-CD2 3.48Å; K91-F256 WeakPolarHBondContact CE-O 3.35Å; K91-F256 HydrophobicContact CG-CD1 4.01Å; K91-F256 HydrophobicContact CG-CE1 3.64Å; K91-F256 HydrophobicContact CG-CE2 4.32Å; K91-F256 HydrophobicContact CG-CZ 3.84Å; K91-Y257 HydrophobicContact CB-CD1 4.02Å; K91-Y257 HydrophobicContact CB-CE1 4.38Å; K91-Y257 HydrophobicContact CG-CD1 4.07Å; K91-Y257 HydrophobicContact CG-CE1 4.34Å
92	R	97.6	Very high	94.5	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-55.9	-52.7	173.9	178.3	177.6	-52.6	155.8	0.4	112.4	L75 L80 D81 R83 V88 K90 K94 N95 H96 R297 D301	L75-R92 HydrophobicContact CD2-CB 4.33Å; L75-R92 HydrophobicContact CD2-CG 3.71Å; L80-R92 HydrophobicContact CD1-CG 4.42Å; D81-R92 VanDerWaalsContact O-CD 3.27Å; D81-R92 WeakPolarHBondContact O-CD 3.42Å; D81-R92 PolarHBondContact O-NH1 3.22Å; D81-R92 IonicContact OD1-CZ 3.28Å; D81-R92 IonicContact OD1-NH1 2.7Å; D81-R92 PolarHBondContact OD1-NH1 2.91Å; D81-R92 VanDerWaalsContact OD1-NH1 3.15Å; R83-R92 PolarHBondContact O-NH1 3.28Å; V88-R92 WeakPolarHBondContact O-CB 3.45Å; V88-R92 PolarHBondContact O-N 2.96Å; K90-R92 PolarHBondContact O-N 3.32Å; R92-K94 PolarHBondContact O-N 3.18Å; R92-N95 PolarHBondContact O-N 3.3Å; R92-H96 PolarHBondContact O-N 2.88Å; R92-R297 VanDerWaalsContact CZ-CZ 3.45Å; R92-R297 VanDerWaalsContact NH2-NH2 3.16Å; R92-D301 WeakPolarHBondContact CB-OD1 3.49Å; R92-D301 WeakPolarHBondContact CD-OD1 3.37Å; R92-D301 WeakPolarHBondContact CG-OD1 3.37Å; R92-D301 IonicContact CZ-OD1 3.01Å; R92-D301 IonicContact CZ-OD2 3.73Å; R92-D301 IonicContact NE-OD1 3.32Å; R92-D301 PolarHBondContact NE-OD1 2.92Å; R92-D301 IonicContact NE-OD2 2.79Å; R92-D301 PolarHBondContact NE-OD2 3.16Å; R92-D301 IonicContact NH2-OD1 3.6Å; R92-D301 IonicContact NH2-OD2 3.01Å; R92-D301 PolarHBondContact NH2-OD2 3.47Å
93	L	97.2	Very high	93.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-44.6	-178.6	-170	58.9	0	0	0	111.7	I63 M66 L71 K74 L75 L78 M89 K90 N95 H96 Y97	I63-L93 HydrophobicContact CD1-CB 4.46Å; I63-L93 HydrophobicContact CD1-CD2 4.32Å; I63-L93 HydrophobicContact CD1-CG 3.98Å; I63-L93 HydrophobicContact CG1-CD2 3.97Å; I63-L93 HydrophobicContact CG1-CG 4.19Å; I63-L93 HydrophobicContact CG2-CB 4.35Å; I63-L93 HydrophobicContact CG2-CD2 4.15Å; I63-L93 HydrophobicContact CG2-CG 4.5Å; M66-L93 HydrophobicContact CE-CD2 4.23Å; M66-L93 HydrophobicContact SD-CD2 3.95Å; L71-L93 HydrophobicContact CD2-CD2 3.78Å; K74-L93 HydrophobicContact CB-CD2 4.18Å; L75-L93 HydrophobicContact CD2-CB 4.12Å; L75-L93 HydrophobicContact CD2-CD1 4.18Å; L78-L93 HydrophobicContact CD1-CD1 3.52Å; M89-L93 WeakPolarHBondContact O-CB 3.44Å; M89-L93 PolarHBondContact O-N 3.43Å; K90-L93 PolarHBondContact O-N 2.93Å; L93-N95 PolarHBondContact O-N 3.41Å; L93-H96 PolarHBondContact O-N 3.38Å; L93-Y97 HydrophobicContact CD1-CD2 3.93Å; L93-Y97 HydrophobicContact CD1-CE2 3.48Å; L93-Y97 VanDerWaalsContact CD1-CE2 3.48Å; L93-Y97 HydrophobicContact CD2-CE2 4.4Å; L93-Y97 HydrophobicContact CG-CD2 3.96Å; L93-Y97 HydrophobicContact CG-CE2 3.76Å; L93-Y97 VanDerWaalsContact O-CD2 3.28Å; L93-Y97 WeakPolarHBondContact O-CD2 3.38Å; L93-Y97 PolarHBondContact O-N 2.97Å; L93-Y97 VanDerWaalsContact O-N 3.08Å
94	K	96.4	Very high	92.9	Very high	46 Å²	46	56.6 Å²	56.6	20%	0.2	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-45.8	176.6	-72.4	178	-178.7	174.8	0	112.4	N60 I63 N64 K90 K91 R92 Y97 K98	N60-K94 HydrophobicContact CB-CD 4.49Å; N60-K94 WeakPolarHBondContact OD1-CB 3.4Å; N60-K94 WeakPolarHBondContact OD1-CG 3.49Å; I63-K94 HydrophobicContact CB-CG 4.17Å; I63-K94 HydrophobicContact CD1-CB 4.4Å; I63-K94 HydrophobicContact CD1-CG 3.76Å; I63-K94 HydrophobicContact CG2-CG 3.85Å; N64-K94 VanDerWaalsContact OD1-CE 3.24Å; N64-K94 WeakPolarHBondContact OD1-CE 3.39Å; N64-K94 PolarHBondContact OD1-NZ 2.95Å; K90-K94 WeakPolarHBondContact O-CB 3.45Å; K90-K94 WeakPolarHBondContact O-CG 3.29Å; K90-K94 PolarHBondContact O-N 3.26Å; K91-K94 PolarHBondContact O-N 3.09Å; R92-K94 PolarHBondContact O-N 3.18Å; K94-Y97 PolarHBondContact O-N 2.66Å; K94-K98 WeakPolarHBondContact O-CB 3.37Å; K94-K98 PolarHBondContact O-N 3.28Å
95	N	94.9	Very high	91.7	Very high	24 Å²	24	58 Å²	58	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-69.8	-35.3	-179.4	-79	-14.4	0	0	0	112.4	K91 R92 L93 K98 K99 F256 D301	K91-N95 WeakPolarHBondContact O-CB 2.96Å; K91-N95 PolarHBondContact O-N 3.27Å; R92-N95 PolarHBondContact O-N 3.3Å; L93-N95 PolarHBondContact O-N 3.41Å; N95-K98 PolarHBondContact O-N 2.79Å; N95-K99 WeakPolarHBondContact O-CB 3.23Å; N95-K99 PolarHBondContact O-N 2.77Å; N95-F256 WeakPolarHBondContact ND2-CE2 3.36Å; N95-F256 WeakPolarHBondContact ND2-CZ 3.44Å; N95-D301 WeakPolarHBondContact CB-O 3.28Å; N95-D301 PolarHBondContact ND2-O 3.25Å
96	H	94.2	Very high	90.3	Very high	46 Å²	46	59.3 Å²	59.3	21%	0.213	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-52.9	172.5	-179.1	92.8	0	0	0	111.2	L80 R92 L93 K98 K99 Q100	L80-H96 HydrophobicContact CD1-CB 3.82Å; R92-H96 PolarHBondContact O-N 2.88Å; L93-H96 PolarHBondContact O-N 3.38Å; H96-K98 VanDerWaalsContact C-N 3.35Å; H96-K98 PolarHBondContact O-N 2.86Å; H96-K99 PolarHBondContact O-N 3.33Å; H96-Q100 WeakPolarHBondContact O-CG 3.46Å; H96-Q100 PolarHBondContact O-N 3.04Å
97	Y	93.4	Very high	88.2	Confident	86 Å²	86	60.1 Å²	60.1	34%	0.337	31%	0.312	S	S	.	.	H	α-helix	trans	-62.1	-40.9	177.9	-80.8	-69.9	0	0	0	112.7	I63 L78 L93 K94 K99 Q100 K101	I63-Y97 HydrophobicContact CD1-CD2 3.81Å; I63-Y97 HydrophobicContact CD1-CE2 4.33Å; L78-Y97 HydrophobicContact CD1-CE2 4.37Å; L93-Y97 HydrophobicContact CD1-CD2 3.93Å; L93-Y97 HydrophobicContact CD1-CE2 3.48Å; L93-Y97 VanDerWaalsContact CD1-CE2 3.48Å; L93-Y97 HydrophobicContact CD2-CE2 4.4Å; L93-Y97 HydrophobicContact CG-CD2 3.96Å; L93-Y97 HydrophobicContact CG-CE2 3.76Å; L93-Y97 VanDerWaalsContact O-CD2 3.28Å; L93-Y97 WeakPolarHBondContact O-CD2 3.38Å; L93-Y97 PolarHBondContact O-N 2.97Å; L93-Y97 VanDerWaalsContact O-N 3.08Å; K94-Y97 PolarHBondContact O-N 2.66Å; Y97-K99 VanDerWaalsContact C-N 3.33Å; Y97-K99 PolarHBondContact O-N 2.91Å; Y97-Q100 PolarHBondContact O-N 3.19Å; Y97-K101 WeakPolarHBondContact O-CB 2.91Å; Y97-K101 WeakPolarHBondContact O-CG 3.41Å; Y97-K101 PolarHBondContact O-N 2.7Å
98	K	91.7	Very high	85.8	Confident	87 Å²	87	65.7 Å²	65.7	38%	0.378	34%	0.336	S	S	.	.	H	α-helix	trans	-57.5	-46.6	174.4	-179.1	-179.9	179.1	-176.4	0	111.3	I56 K94 N95 H96 L102	I56-K98 HydrophobicContact CD1-CG 4.2Å; I56-K98 HydrophobicContact CG2-CB 4.39Å; I56-K98 HydrophobicContact CG2-CG 4.43Å; K94-K98 WeakPolarHBondContact O-CB 3.37Å; K94-K98 PolarHBondContact O-N 3.28Å; N95-K98 PolarHBondContact O-N 2.79Å; H96-K98 VanDerWaalsContact C-N 3.35Å; H96-K98 PolarHBondContact O-N 2.86Å; K98-L102 HydrophobicContact CG-CD1 3.86Å; K98-L102 HydrophobicContact CG-CG 4.45Å; K98-L102 WeakPolarHBondContact O-CB 3.4Å; K98-L102 VanDerWaalsContact O-CG 3.28Å; K98-L102 WeakPolarHBondContact O-CG 3.28Å; K98-L102 PolarHBondContact O-N 2.93Å
99	K	88.9	Confident	83.6	Confident	144 Å²	144	69.7 Å²	69.7	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-62.8	-47.6	179.1	-174.6	177.3	179.2	179.6	0	111.1	N95 H96 Y97 K101 L102 L103	N95-K99 WeakPolarHBondContact O-CB 3.23Å; N95-K99 PolarHBondContact O-N 2.77Å; H96-K99 PolarHBondContact O-N 3.33Å; Y97-K99 VanDerWaalsContact C-N 3.33Å; Y97-K99 PolarHBondContact O-N 2.91Å; K99-K101 PolarHBondContact O-N 2.78Å; K99-L102 PolarHBondContact O-N 3.2Å; K99-L103 HydrophobicContact CG-CD1 3.94Å; K99-L103 WeakPolarHBondContact O-CB 3.48Å; K99-L103 VanDerWaalsContact O-CG 3.26Å; K99-L103 WeakPolarHBondContact O-CG 3.32Å; K99-L103 PolarHBondContact O-N 3.32Å
100	Q	88.5	Confident	81.1	Confident	77 Å²	77	72.2 Å²	72.2	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-58.5	-48.1	178	-70.6	-63.9	-24.7	0	0	112.1	H96 Y97 L103 Q104	H96-Q100 WeakPolarHBondContact O-CG 3.46Å; H96-Q100 PolarHBondContact O-N 3.04Å; Y97-Q100 PolarHBondContact O-N 3.19Å; Q100-L103 PolarHBondContact O-N 2.99Å; Q100-Q104 VanDerWaalsContact O-CG 3.25Å; Q100-Q104 WeakPolarHBondContact O-CG 3.08Å; Q100-Q104 PolarHBondContact O-N 3.22Å
101	K	87.5	Confident	78.5	Confident	68 Å²	68	77.2 Å²	77.2	30%	0.296	44%	0.439	S	S	.	.	H	α-helix	trans	-65.8	-41.1	-178.7	-74.6	-72.9	-179.3	177.2	0	113.1	V52 E55 I56 Y97 K99 Q104 S105	V52-K101 HydrophobicContact CG2-CB 3.84Å; E55-K101 WeakPolarHBondContact OE2-CE 3.26Å; E55-K101 IonicContact OE2-NZ 3.3Å; E55-K101 PolarHBondContact OE2-NZ 2.82Å; I56-K101 HydrophobicContact CD1-CB 4.23Å; I56-K101 HydrophobicContact CG1-CB 4.01Å; I56-K101 HydrophobicContact CG1-CG 4.4Å; Y97-K101 WeakPolarHBondContact O-CB 2.91Å; Y97-K101 WeakPolarHBondContact O-CG 3.41Å; Y97-K101 PolarHBondContact O-N 2.7Å; K99-K101 PolarHBondContact O-N 2.78Å; K101-Q104 PolarHBondContact O-N 2.96Å; K101-S105 PolarHBondContact O-N 2.81Å; K101-S105 VanDerWaalsContact O-N 3.15Å; K101-S105 PolarHBondContact O-OG 2.86Å
102	L	85.8	Confident	76.4	Confident	52 Å²	52	80.2 Å²	80.2	27%	0.272	46%	0.462	S	S	.	.	H	α-helix	trans	-68.2	-36.3	176.8	-70.2	174.5	0	0	0	112.4	V52 Y53 I56 K98 K99 Q104 S105 A106	V52-L102 HydrophobicContact CG1-CD2 4.05Å; Y53-L102 HydrophobicContact CE1-CD2 4.16Å; I56-L102 HydrophobicContact CD1-CD2 4.27Å; I56-L102 HydrophobicContact CD1-CG 4.25Å; K98-L102 HydrophobicContact CG-CD1 3.86Å; K98-L102 HydrophobicContact CG-CG 4.45Å; K98-L102 WeakPolarHBondContact O-CB 3.4Å; K98-L102 VanDerWaalsContact O-CG 3.28Å; K98-L102 WeakPolarHBondContact O-CG 3.28Å; K98-L102 PolarHBondContact O-N 2.93Å; K99-L102 PolarHBondContact O-N 3.2Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-S105 PolarHBondContact O-N 3.22Å; L102-S105 PolarHBondContact O-OG 3.12Å; L102-A106 WeakPolarHBondContact O-CB 3.34Å; L102-A106 PolarHBondContact O-N 3.2Å; L102-A106 VanDerWaalsContact O-N 3.07Å
103	L	83.4	Confident	74.4	Confident	112 Å²	112	84.1 Å²	84.1	59%	0.586	48%	0.483	S	S	*	.	H	α-helix	trans	-66.2	-37.4	174.4	-73.5	170.2	0	0	0	111.9	K99 Q100 S105	K99-L103 HydrophobicContact CG-CD1 3.94Å; K99-L103 WeakPolarHBondContact O-CB 3.48Å; K99-L103 VanDerWaalsContact O-CG 3.26Å; K99-L103 WeakPolarHBondContact O-CG 3.32Å; K99-L103 PolarHBondContact O-N 3.32Å; Q100-L103 PolarHBondContact O-N 2.99Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 2.77Å
104	Q	77.7	Confident	73.6	Confident	134 Å²	134	88.2 Å²	88.2	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-69.7	-23.5	176	-71.3	166.2	9.8	0	0	113.1	Q100 K101 L102	Q100-Q104 VanDerWaalsContact O-CG 3.25Å; Q100-Q104 WeakPolarHBondContact O-CG 3.08Å; Q100-Q104 PolarHBondContact O-N 3.22Å; K101-Q104 PolarHBondContact O-N 2.96Å; L102-Q104 VanDerWaalsContact C-N 3.34Å
105	S	72.2	Confident	73.5	Confident	43 Å²	43	88.6 Å²	88.6	30%	0.301	51%	0.509	S	S	.	.	H	α-helix	trans	-102.8	-6	-177.5	68.4	0	0	0	0	114.7	K101 L102 L103 A107	K101-S105 PolarHBondContact O-N 2.81Å; K101-S105 VanDerWaalsContact O-N 3.15Å; K101-S105 PolarHBondContact O-OG 2.86Å; L102-S105 PolarHBondContact O-N 3.22Å; L102-S105 PolarHBondContact O-OG 3.12Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 2.77Å; S105-A107 PolarHBondContact O-N 2.84Å
106	A	67.3	Low	73.7	Confident	71 Å²	71	87.5 Å²	87.5	59%	0.587	50%	0.503	S	S	*	.			trans	-79.1	109.8	-177.1	0	0	0	0	0	110.6	L102	L102-A106 WeakPolarHBondContact O-CB 3.34Å; L102-A106 PolarHBondContact O-N 3.2Å; L102-A106 VanDerWaalsContact O-N 3.07Å
107	A	51.4	Low	73.8	Confident	96 Å²	96	87.1 Å²	87.1	79%	0.793	50%	0.502	S	S	*	.			trans	-70.5	141.8	152.7	0	0	0	0	0	108.5	S105	S105-A107 PolarHBondContact O-N 2.84Å
108	E	45.7	Very low	74.1	Confident	201 Å²	201	84.7 Å²	84.7	94%	0.939	49%	0.493	S	S	*	.	S	Bend	trans	-53.1	144.4	-172.3	-66.2	178.5	159.3	0	0	113.8
109	G	50	Low	74.4	Confident	84 Å²	84	80.5 Å²	80.5	87%	0.866	48%	0.475	S	S	*	.			trans	90.6	74.1	158.9	0	0	0	0	0	116.1
110	G	44.8	Very low	74.9	Confident	56 Å²	56	73.7 Å²	73.7	58%	0.577	45%	0.445	S	S	*	.			trans	-113.8	144.5	154.5	0	0	0	0	0	109.5	T112	G110-T112 PolarHBondContact O-N 3.38Å
111	P	43.2	Very low	75.4	Confident	136 Å²	136	70 Å²	70	88%	0.883	43%	0.428	S	S	*	.			trans	-60.4	109.4	176.5	24.1	-30.6	0	0	0	108.8	D113	P111-D113 PolarHBondContact O-N 2.95Å; P111-D113 VanDerWaalsContact O-N 3.1Å
112	T	51.7	Low	75.9	Confident	115 Å²	115	66.8 Å²	66.8	71%	0.706	41%	0.414	S	S	*	.			trans	-70.8	105.2	171	50.4	0	0	0	0	106.6	G110 T114	G110-T112 PolarHBondContact O-N 3.38Å; T112-T114 VanDerWaalsContact C-N 3.29Å; T112-T114 PolarHBondContact O-N 3.35Å
113	D	55.9	Low	76.6	Confident	88 Å²	88	64.9 Å²	64.9	47%	0.471	40%	0.404	S	S	.	.			trans	-50.5	105.2	157	-175.2	7.7	0	0	0	105.7	P111 Y115 K213 V325	P111-D113 PolarHBondContact O-N 2.95Å; P111-D113 VanDerWaalsContact O-N 3.1Å; D113-Y115 PolarHBondContact O-N 2.66Å; D113-K213 IonicContact OD1-NZ 3.34Å; D113-V325 VanDerWaalsContact OD2-CB 3.27Å; D113-V325 WeakPolarHBondContact OD2-CB 3.24Å; D113-V325 VanDerWaalsContact OD2-CG2 3.29Å; D113-V325 WeakPolarHBondContact OD2-CG2 3.42Å; D113-V325 PolarHBondContact OD2-N 3Å
114	T	81.3	Confident	77.3	Confident	87 Å²	87	59.6 Å²	59.6	53%	0.534	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-64	117	-169.8	44.6	0	0	0	0	106.7	T112 K213	T112-T114 VanDerWaalsContact C-N 3.29Å; T112-T114 PolarHBondContact O-N 3.35Å; T114-K213 WeakPolarHBondContact O-CD 3.14Å; T114-K213 WeakPolarHBondContact O-CE 3.21Å; T114-K213 PolarHBondContact O-NZ 2.87Å
115	Y	94.6	Very high	78.3	Confident	53 Å²	53	53.3 Å²	53.3	21%	0.208	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-62.1	167.6	176.1	-167.2	-119.3	0	0	0	109.6	D113 D117 T150 L299 Q304 L305	D113-Y115 PolarHBondContact O-N 2.66Å; Y115-D117 PolarHBondContact O-N 2.79Å; Y115-T150 HydrophobicContact CE1-CG2 4.21Å; Y115-L299 HydrophobicContact CE1-CD2 3.84Å; Y115-L299 WeakPolarHBondContact OH-CD2 3.44Å; Y115-Q304 HydrophobicContact CE2-CB 4.18Å; Y115-L305 VanDerWaalsContact CE2-O 3.24Å; Y115-L305 WeakPolarHBondContact CE2-O 3.07Å; Y115-L305 WeakPolarHBondContact OH-CA 3.42Å; Y115-L305 WeakPolarHBondContact OH-CB 3.24Å; Y115-L305 PolarHBondContact OH-N 2.81Å; Y115-L305 PolarHBondContact OH-O 3.46Å
116	Y	97.4	Very high	79.5	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.008	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-61.1	137	174.8	-45.5	-60.6	0	0	0	109.6	Y118 I119 T150 K213 A215 I247 L305 V307 V325 E326	Y116-Y118 VanDerWaalsContact C-N 3.34Å; Y116-Y118 WeakPolarHBondContact CB-O 3.21Å; Y116-I119 HydrophobicContact CD2-CG1 4.36Å; Y116-T150 WeakPolarHBondContact O-CB 3.45Å; Y116-T150 WeakPolarHBondContact O-CG2 3.35Å; Y116-T150 PolarHBondContact O-OG1 3.05Å; Y116-K213 CarbonylContact C-O 3.54Å; Y116-K213 HydrophobicContact CD1-CD 4.45Å; Y116-K213 HydrophobicContact CD1-CG 4.17Å; Y116-A215 HydrophobicContact CD1-CB 3.93Å; Y116-A215 HydrophobicContact CD2-CB 3.93Å; Y116-A215 HydrophobicContact CE1-CB 3.82Å; Y116-A215 HydrophobicContact CE2-CB 3.78Å; Y116-A215 HydrophobicContact CG-CB 4Å; Y116-I247 HydrophobicContact CD2-CD1 4.48Å; Y116-I247 HydrophobicContact CE2-CD1 4Å; Y116-L305 VanDerWaalsContact CE2-O 3.3Å; Y116-L305 WeakPolarHBondContact CE2-O 3.25Å; Y116-V307 PolarHBondContact OH-N 3.1Å; Y116-V325 HydrophobicContact CD1-CG1 4.01Å; Y116-V325 HydrophobicContact CE1-CG1 3.39Å; Y116-V325 HydrophobicContact CE2-CG1 4.15Å; Y116-V325 VanDerWaalsContact CZ-CG1 3.47Å; Y116-E326 WeakPolarHBondContact CE1-O 3.24Å
117	D	98.1	Very high	81	Confident	37 Å²	37	48.5 Å²	48.5	20%	0.198	31%	0.309	C	S	.	.	S	Bend	trans	-72.9	-34.9	167.2	-58.4	-64.3	0	0	0	110.6	Y115 T150 H151 Y212 K213	Y115-D117 PolarHBondContact O-N 2.79Å; D117-T150 PolarHBondContact O-N 2.56Å; D117-T150 PolarHBondContact O-OG1 2.99Å; D117-T150 VanDerWaalsContact O-OG1 3.1Å; D117-H151 IonicContact OD1-CD2 3.53Å; D117-H151 IonicContact OD1-CE1 3.8Å; D117-H151 IonicContact OD1-NE2 2.8Å; D117-H151 PolarHBondContact OD1-NE2 2.87Å; D117-Y212 HydrophobicContact CB-CD1 4.18Å; D117-K213 PolarHBondContact N-O 3.22Å; D117-K213 PolarHBondContact OD2-N 3.22Å
118	Y	98.8	Very high	83.2	Confident	35 Å²	35	44.6 Å²	44.6	14%	0.137	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.5	-178.8	-66.7	-85.4	0	0	0	113.7	Y116 L147 I148 N149 V156 L208 Y212 K213 Y214 A215	Y116-Y118 VanDerWaalsContact C-N 3.34Å; Y116-Y118 WeakPolarHBondContact CB-O 3.21Å; Y118-L147 HydrophobicContact CD1-CD1 3.91Å; Y118-L147 HydrophobicContact CD1-CD2 3.82Å; Y118-L147 HydrophobicContact CD1-CG 3.69Å; Y118-L147 HydrophobicContact CE1-CD2 4.09Å; Y118-L147 HydrophobicContact CE1-CG 4.34Å; Y118-L147 HydrophobicContact CG-CD1 4.13Å; Y118-L147 HydrophobicContact CG-CD2 4.5Å; Y118-L147 HydrophobicContact CG-CG 4.4Å; Y118-I148 CarbonylContact C-O 3.56Å; Y118-I148 WeakPolarHBondContact CA-O 3.36Å; Y118-I148 WeakPolarHBondContact CD1-O 3.45Å; Y118-N149 HydrophobicContact CD1-CB 4.07Å; Y118-N149 HydrophobicContact CE1-CB 3.67Å; Y118-N149 PolarHBondContact OH-ND2 3.48Å; Y118-V156 HydrophobicContact CD1-CG2 4.34Å; Y118-V156 HydrophobicContact CE1-CG2 3.87Å; Y118-L208 HydrophobicContact CD2-CD2 3.8Å; Y118-L208 HydrophobicContact CG-CD2 4Å; Y118-Y212 HydrophobicContact CD2-CD1 4.44Å; Y118-Y212 HydrophobicContact CD2-CD2 4.43Å; Y118-Y212 AromaticContact CD2-CG 3.97Å; Y118-Y212 HydrophobicContact CD2-CG 3.97Å; Y118-Y212 AromaticContact CE2-CD1 3.82Å; Y118-Y212 HydrophobicContact CE2-CD1 3.82Å; Y118-Y212 AromaticContact CE2-CD2 3.85Å; Y118-Y212 HydrophobicContact CE2-CD2 3.85Å; Y118-Y212 HydrophobicContact CE2-CE1 4.28Å; Y118-Y212 HydrophobicContact CE2-CE2 4.3Å; Y118-Y212 AromaticContact CE2-CG 3.57Å; Y118-Y212 HydrophobicContact CE2-CG 3.57Å; Y118-K213 PolarHBondContact N-O 3.1Å; Y118-Y214 WeakPolarHBondContact O-CA 3.39Å; Y118-Y214 WeakPolarHBondContact O-CB 3.44Å; Y118-A215 PolarHBondContact O-N 2.92Å
119	I	98.9	Very high	85.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.7	167.4	-64.5	174.8	0	0	0	107.8	Y116 V121 I148 T150 A215 L217 I247 L299 L305	Y116-I119 HydrophobicContact CD2-CG1 4.36Å; I119-V121 HydrophobicContact CG2-CG2 4.4Å; I119-I148 HydrophobicContact CB-CB 4.42Å; I119-I148 PolarHBondContact N-O 3.27Å; I119-I148 PolarHBondContact O-N 3.23Å; I119-T150 HydrophobicContact CD1-CG2 4.08Å; I119-T150 HydrophobicContact CG1-CG2 3.91Å; I119-A215 WeakPolarHBondContact CA-O 3.15Å; I119-L217 HydrophobicContact CG2-CB 3.57Å; I119-L217 HydrophobicContact CG2-CD1 3.8Å; I119-L217 HydrophobicContact CG2-CG 4.31Å; I119-I247 HydrophobicContact CD1-CD1 4.33Å; I119-L299 HydrophobicContact CD1-CD1 4.36Å; I119-L305 HydrophobicContact CD1-CB 4.32Å; I119-L305 HydrophobicContact CD1-CD1 4.15Å
120	C	98.8	Very high	87.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.2	179.2	-163	0	0	0	0	109.5	M145 L147 Y214 A215 M216 L217	C120-M145 WeakPolarHBondContact SG-CE 3.22Å; C120-L147 HydrophobicContact CB-CD1 4.32Å; C120-Y214 HydrophobicContact CB-CD2 4.47Å; C120-A215 PolarHBondContact N-O 3.36Å; C120-M216 HydrophobicContact CB-CE 4.26Å; C120-M216 HydrophobicContact CB-SD 3.94Å; C120-M216 CarbonylContact O-C 3.5Å; C120-M216 WeakPolarHBondContact O-CA 3.29Å; C120-L217 PolarHBondContact O-N 3.41Å
121	V	98.9	Very high	89.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.4	-178.1	-174	0	0	0	0	109.8	I119 M145 V146 I148 L217 I291 A292	I119-V121 HydrophobicContact CG2-CG2 4.4Å; V121-M145 CarbonylContact O-C 3.43Å; V121-M145 VanDerWaalsContact O-CA 3.28Å; V121-M145 WeakPolarHBondContact O-CA 3.34Å; V121-V146 HydrophobicContact CB-CB 4.24Å; V121-V146 PolarHBondContact N-O 2.92Å; V121-V146 PolarHBondContact O-N 3.14Å; V121-I148 HydrophobicContact CG2-CD1 3.77Å; V121-I148 HydrophobicContact CG2-CG1 4.34Å; V121-L217 CarbonylContact C-O 3.54Å; V121-L217 VanDerWaalsContact CA-O 3.31Å; V121-L217 WeakPolarHBondContact CA-O 3.39Å; V121-L217 HydrophobicContact CB-CD2 4.42Å; V121-L217 HydrophobicContact CG1-CD2 3.91Å; V121-L217 HydrophobicContact CG2-CB 4.41Å; V121-L217 HydrophobicContact CG2-CD2 3.99Å; V121-I291 HydrophobicContact CG1-CB 3.79Å; V121-I291 HydrophobicContact CG1-CG2 3.47Å; V121-I291 VanDerWaalsContact CG1-CG2 3.47Å; V121-A292 HydrophobicContact CG2-CB 4.02Å
122	V	98.7	Very high	91.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.			trans	-136	139	177	179	0	0	0	0	109	F124 M145 M216 L217 T218 M224	V122-F124 HydrophobicContact CG1-CD1 3.86Å; V122-F124 HydrophobicContact CG1-CD2 4.37Å; V122-F124 HydrophobicContact CG1-CE1 3.38Å; V122-F124 HydrophobicContact CG1-CE2 3.97Å; V122-F124 HydrophobicContact CG1-CG 4.32Å; V122-F124 HydrophobicContact CG1-CZ 3.47Å; V122-F124 VanDerWaalsContact CG1-CZ 3.47Å; V122-M145 HydrophobicContact CG2-CE 3.46Å; V122-M145 VanDerWaalsContact CG2-CE 3.46Å; V122-M145 HydrophobicContact CG2-CG 4.11Å; V122-M216 HydrophobicContact CB-CE 4.5Å; V122-M216 HydrophobicContact CG2-CE 3.46Å; V122-M216 VanDerWaalsContact CG2-CE 3.46Å; V122-L217 PolarHBondContact N-O 2.97Å; V122-T218 HydrophobicContact CB-CG2 4.5Å; V122-M224 HydrophobicContact CB-CE 4.18Å; V122-M224 HydrophobicContact CG1-CE 4.44Å; V122-M224 HydrophobicContact CG2-CE 4.45Å
123	D	98.8	Very high	93.3	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.064	19%	0.194	C	C	.	.			trans	-143.9	105.2	170.5	-169.8	5.8	0	0	0	108.2	K5 P144 D287 S288 I291	K5-D123 IonicContact NZ-OD1 3.75Å; D123-P144 VanDerWaalsContact O-CD 3.26Å; D123-P144 WeakPolarHBondContact O-CD 3.24Å; D123-P144 WeakPolarHBondContact O-CG 3.23Å; D123-D287 HydrophobicContact CB-CB 4.42Å; D123-D287 WeakPolarHBondContact OD2-CB 3.13Å; D123-S288 PolarHBondContact N-OG 2.67Å; D123-I291 HydrophobicContact CB-CD1 3.86Å
124	F	98.8	Very high	94.7	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.204	C	C	.	.			trans	-76.4	144.8	-176	-62.6	-54	0	0	0	110.9	K5 V122 I140 F143 D223 F227 L228	K5-F124 PolarHBondContact NZ-O 3.17Å; V122-F124 HydrophobicContact CG1-CD1 3.86Å; V122-F124 HydrophobicContact CG1-CD2 4.37Å; V122-F124 HydrophobicContact CG1-CE1 3.38Å; V122-F124 HydrophobicContact CG1-CE2 3.97Å; V122-F124 HydrophobicContact CG1-CG 4.32Å; V122-F124 HydrophobicContact CG1-CZ 3.47Å; V122-F124 VanDerWaalsContact CG1-CZ 3.47Å; F124-I140 HydrophobicContact CB-CG1 4.4Å; F124-I140 HydrophobicContact CB-CG2 4.42Å; F124-I140 HydrophobicContact CD1-CD1 4.11Å; F124-I140 HydrophobicContact CD1-CG2 4Å; F124-I140 HydrophobicContact CD2-CD1 3.93Å; F124-I140 HydrophobicContact CE1-CD1 4.27Å; F124-I140 HydrophobicContact CE2-CD1 4.09Å; F124-I140 HydrophobicContact CG-CD1 3.96Å; F124-I140 HydrophobicContact CG-CG1 4.27Å; F124-I140 HydrophobicContact CG-CG2 4.35Å; F124-I140 HydrophobicContact CZ-CD1 4.24Å; F124-F143 HydrophobicContact CD1-CD2 4.13Å; F124-F143 HydrophobicContact CD1-CE2 4.45Å; F124-F143 HydrophobicContact CD1-CG 4.19Å; F124-F143 HydrophobicContact CE1-CB 4.4Å; F124-F143 AromaticContact CE1-CD1 3.75Å; F124-F143 HydrophobicContact CE1-CD1 3.75Å; F124-F143 AromaticContact CE1-CD2 3.36Å; F124-F143 HydrophobicContact CE1-CD2 3.36Å; F124-F143 AromaticContact CE1-CE1 3.71Å; F124-F143 HydrophobicContact CE1-CE1 3.71Å; F124-F143 AromaticContact CE1-CE2 3.32Å; F124-F143 HydrophobicContact CE1-CE2 3.32Å; F124-F143 AromaticContact CE1-CG 3.58Å; F124-F143 HydrophobicContact CE1-CG 3.58Å; F124-F143 AromaticContact CE1-CZ 3.5Å; F124-F143 HydrophobicContact CE1-CZ 3.5Å; F124-F143 VanDerWaalsContact CE1-CZ 3.5Å; F124-F143 HydrophobicContact CZ-CD2 4.11Å; F124-F143 HydrophobicContact CZ-CE1 4.2Å; F124-F143 AromaticContact CZ-CE2 3.6Å; F124-F143 HydrophobicContact CZ-CE2 3.6Å; F124-F143 AromaticContact CZ-CZ 3.65Å; F124-F143 HydrophobicContact CZ-CZ 3.65Å; F124-D223 HydrophobicContact CD2-CB 3.72Å; F124-D223 HydrophobicContact CE2-CB 4.03Å; F124-D223 WeakPolarHBondContact CE2-O 3.48Å; F124-D223 PolarHBondContact N-OD1 2.77Å; F124-F227 HydrophobicContact CB-CD2 4.39Å; F124-F227 HydrophobicContact CD2-CB 4.16Å; F124-L228 HydrophobicContact CE2-CB 3.96Å
125	E	98.8	Very high	95.1	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.3	154.9	-57.2	-52.9	142.8	0	0	109.4	K5 I140 I141 E142 T179 I181	K5-E125 WeakPolarHBondContact CE-OE2 3.34Å; K5-E125 IonicContact NZ-OE1 3.48Å; K5-E125 PolarHBondContact NZ-OE1 2.78Å; K5-E125 IonicContact NZ-OE2 2.71Å; K5-E125 PolarHBondContact NZ-OE2 3.22Å; E125-I140 WeakPolarHBondContact O-CA 3.46Å; E125-I141 HydrophobicContact CB-CG1 4.18Å; E125-I141 PolarHBondContact O-N 2.86Å; E125-E142 HydrophobicContact CB-CB 3.78Å; E125-E142 HydrophobicContact CG-CB 4.09Å; E125-E142 WeakPolarHBondContact CG-OE2 3.5Å; E125-E142 PolarHBondContact N-O 2.95Å; E125-E142 PolarHBondContact O-N 3.43Å; E125-T179 HydrophobicContact CB-CG2 4.22Å; E125-T179 HydrophobicContact CG-CG2 4.37Å; E125-I181 HydrophobicContact CB-CD1 3.94Å; E125-I181 HydrophobicContact CG-CD1 4.32Å
126	A	98.5	Very high	95	Very high	8 Å²	8	38.6 Å²	38.6	7%	0.066	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.9	-178	0	0	0	0	0	111.2	H138 E139 F227	A126-H138 HydrophobicContact CB-CB 4.24Å; A126-E139 CarbonylContact C-O 3.58Å; A126-E139 WeakPolarHBondContact CA-O 3.49Å; A126-E139 WeakPolarHBondContact CB-O 3.24Å; A126-F227 HydrophobicContact CB-CD1 3.81Å; A126-F227 HydrophobicContact CB-CE1 3.85Å; A126-F227 HydrophobicContact CB-CG 4.37Å; A126-F227 HydrophobicContact CB-CZ 4.43Å
127	T	98.4	Very high	94.9	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.031	23%	0.229	C	C	.	.			trans	-54.5	142.6	168.3	57.8	0	0	0	0	110.1	F136 H138 E139 I141 P165 L171	T127-F136 WeakPolarHBondContact O-CE1 3.46Å; T127-H138 PolarHBondContact O-ND1 3.2Å; T127-E139 HydrophobicContact CG2-CB 4.23Å; T127-E139 PolarHBondContact N-O 3.4Å; T127-E139 PolarHBondContact OG1-N 3.21Å; T127-I141 HydrophobicContact CG2-CG2 3.61Å; T127-P165 HydrophobicContact CG2-CB 3.99Å; T127-P165 HydrophobicContact CG2-CG 4.1Å; T127-L171 HydrophobicContact CG2-CD2 3.89Å
128	C	96.3	Very high	94.9	Very high	13 Å²	13	41.2 Å²	41.2	9%	0.088	22%	0.221	C	C	.	.			trans	-157.4	161.5	179.7	61.2	0	0	0	0	112.2	S172	C128-S172 PolarHBondContact O-OG 3.41Å
129	E	93.8	Very high	94.9	Very high	87 Å²	87	39.7 Å²	39.7	41%	0.407	21%	0.214	S	C	.	.			trans	-122.6	157.6	172.1	-69.4	-173.2	174.9	0	0	110.9	D131 N132 F136	E129-D131 PolarHBondContact O-N 2.83Å; E129-N132 PolarHBondContact O-N 3.32Å; E129-N132 VanDerWaalsContact O-N 3.12Å; E129-F136 HydrophobicContact CG-CD2 4.02Å; E129-F136 HydrophobicContact CG-CE2 3.61Å; E129-F136 HydrophobicContact CG-CZ 4.21Å
130	E	90.8	Very high	94.9	Very high	141 Å²	141	39.7 Å²	39.7	66%	0.659	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-44.9	-174.2	-175.3	164.8	-155.7	0	0	112.7	N132 F174	E130-N132 PolarHBondContact O-N 3.25Å; E130-F174 HydrophobicContact CB-CB 4.01Å; E130-F174 HydrophobicContact CB-CD1 4.42Å; E130-F174 HydrophobicContact CB-CD2 3.71Å; E130-F174 HydrophobicContact CB-CE2 4.3Å; E130-F174 HydrophobicContact CB-CG 3.78Å; E130-F174 HydrophobicContact CG-CD2 3.78Å; E130-F174 HydrophobicContact CG-CE2 4.08Å; E130-F174 HydrophobicContact CG-CG 4.38Å
131	D	89.1	Confident	94.9	Very high	152 Å²	152	39.7 Å²	39.7	81%	0.813	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.1	179.1	-68.2	-29.3	0	0	0	112.8	E129	E129-D131 PolarHBondContact O-N 2.83Å
132	N	85.1	Confident	94.9	Very high	24 Å²	24	39.7 Å²	39.7	13%	0.128	22%	0.215	C	C	.	.			trans	45	65.3	-179.3	-176.4	66.9	0	0	0	113.3	I8 E129 E130 S134	I8-N132 WeakPolarHBondContact CA-ND2 3.41Å; I8-N132 VanDerWaalsContact CB-ND2 3.29Å; I8-N132 WeakPolarHBondContact CB-ND2 3.36Å; I8-N132 WeakPolarHBondContact CD1-OD1 3.5Å; I8-N132 HydrophobicContact CG1-CB 4.46Å; I8-N132 WeakPolarHBondContact CG1-ND2 3.33Å; I8-N132 WeakPolarHBondContact CG1-OD1 3.35Å; I8-N132 VanDerWaalsContact CG2-ND2 3.29Å; I8-N132 WeakPolarHBondContact CG2-ND2 3.39Å; I8-N132 WeakPolarHBondContact CG2-OD1 3.45Å; I8-N132 PolarHBondContact N-ND2 3.31Å; E129-N132 PolarHBondContact O-N 3.32Å; E129-N132 VanDerWaalsContact O-N 3.12Å; E130-N132 PolarHBondContact O-N 3.25Å; N132-S134 PolarHBondContact O-N 3.27Å
133	P	88.6	Confident	94.9	Very high	39 Å²	39	40 Å²	40	25%	0.253	22%	0.216	S	C	.	.			trans	-60.1	139.5	178.7	7.3	-4.4	0	0	0	110.9	D135 F136	P133-D135 WeakPolarHBondContact CB-OD1 3.39Å; P133-D135 PolarHBondContact O-N 3.45Å; P133-F136 HydrophobicContact CB-CB 4.41Å; P133-F136 HydrophobicContact CG-CB 4.01Å; P133-F136 HydrophobicContact CG-CD2 4.43Å; P133-F136 VanDerWaalsContact O-CB 3.28Å; P133-F136 WeakPolarHBondContact O-CB 3.47Å; P133-F136 PolarHBondContact O-N 3.37Å; P133-F136 VanDerWaalsContact O-N 3.12Å
134	S	86.3	Confident	94.9	Very high	95 Å²	95	39.4 Å²	39.4	66%	0.664	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.7	-176.1	53.5	0	0	0	0	113.7	N132	N132-S134 PolarHBondContact O-N 3.27Å
135	D	89.9	Confident	94.9	Very high	130 Å²	130	39.4 Å²	39.4	70%	0.695	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	2.5	179.8	60.7	-33.5	0	0	0	113.3	P133 L137	P133-D135 WeakPolarHBondContact CB-OD1 3.39Å; P133-D135 PolarHBondContact O-N 3.45Å; D135-L137 PolarHBondContact O-N 3.5Å
136	F	93.1	Very high	94.9	Very high	27 Å²	27	39.2 Å²	39.2	12%	0.118	21%	0.212	C	C	.	.			trans	-61.3	124.8	176	-170.9	-93.7	0	0	0	111.2	T127 E129 P133 H138	T127-F136 WeakPolarHBondContact O-CE1 3.46Å; E129-F136 HydrophobicContact CG-CD2 4.02Å; E129-F136 HydrophobicContact CG-CE2 3.61Å; E129-F136 HydrophobicContact CG-CZ 4.21Å; P133-F136 HydrophobicContact CB-CB 4.41Å; P133-F136 HydrophobicContact CG-CB 4.01Å; P133-F136 HydrophobicContact CG-CD2 4.43Å; P133-F136 VanDerWaalsContact O-CB 3.28Å; P133-F136 WeakPolarHBondContact O-CB 3.47Å; P133-F136 PolarHBondContact O-N 3.37Å; P133-F136 VanDerWaalsContact O-N 3.12Å; F136-H138 AromaticContact CD1-CE1 3.73Å; F136-H138 AromaticContact CD1-CG 3.94Å; F136-H138 AromaticContact CD1-ND1 3.58Å; F136-H138 AromaticContact CE1-ND1 3.92Å; F136-H138 PolarHBondContact O-CD2 2.85Å; F136-H138 PolarHBondContact O-N 2.97Å; F136-H138 VanDerWaalsContact O-N 3.15Å
137	L	95	Very high	94.9	Very high	90 Å²	90	39 Å²	39	47%	0.471	21%	0.21	S	C	.	.			trans	-84.1	92	177.8	-67.5	-179.7	0	0	0	110.1	D135 V167 N168	D135-L137 PolarHBondContact O-N 3.5Å; L137-V167 HydrophobicContact CD1-CG1 4.38Å; L137-N168 PolarHBondContact O-ND2 2.86Å
138	H	97.8	Very high	95	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.019	21%	0.208	C	C	.	.			trans	-64.4	134.1	173.8	-60.2	-79.1	0	0	0	111.8	A126 T127 F136 F227 I230	A126-H138 HydrophobicContact CB-CB 4.24Å; T127-H138 PolarHBondContact O-ND1 3.2Å; F136-H138 AromaticContact CD1-CE1 3.73Å; F136-H138 AromaticContact CD1-CG 3.94Å; F136-H138 AromaticContact CD1-ND1 3.58Å; F136-H138 AromaticContact CE1-ND1 3.92Å; F136-H138 PolarHBondContact O-CD2 2.85Å; F136-H138 PolarHBondContact O-N 2.97Å; F136-H138 VanDerWaalsContact O-N 3.15Å; H138-F227 HydrophobicContact CB-CD1 3.99Å; H138-F227 HydrophobicContact CB-CE1 4.07Å; H138-F227 AromaticContact CG-CE1 3.95Å; H138-I230 VanDerWaalsContact O-CG2 3.31Å; H138-I230 WeakPolarHBondContact O-CG2 3.09Å
139	E	98.6	Very high	95.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	21%	0.209	C	C	.	.			trans	-118.7	137	170.7	-69.4	176.7	101.1	0	0	109.1	A126 T127 I141 P165 E166 V167 N168 I234	A126-E139 CarbonylContact C-O 3.58Å; A126-E139 WeakPolarHBondContact CA-O 3.49Å; A126-E139 WeakPolarHBondContact CB-O 3.24Å; T127-E139 HydrophobicContact CG2-CB 4.23Å; T127-E139 PolarHBondContact N-O 3.4Å; T127-E139 PolarHBondContact OG1-N 3.21Å; E139-I141 PolarHBondContact O-N 3.17Å; E139-P165 HydrophobicContact CB-CB 3.91Å; E139-P165 HydrophobicContact CG-CB 4.43Å; E139-P165 WeakPolarHBondContact OE2-CB 3.33Å; E139-E166 PolarHBondContact OE1-N 3.15Å; E139-V167 VanDerWaalsContact CD-N 3.33Å; E139-V167 HydrophobicContact CG-CB 4.5Å; E139-V167 PolarHBondContact OE1-N 3.27Å; E139-V167 WeakPolarHBondContact OE2-CA 3.42Å; E139-V167 WeakPolarHBondContact OE2-CB 3.34Å; E139-V167 PolarHBondContact OE2-N 3.12Å; E139-V167 VanDerWaalsContact OE2-N 3.09Å; E139-N168 PolarHBondContact OE2-N 3.23Å; E139-I234 HydrophobicContact CG-CD1 3.69Å
140	I	98.9	Very high	95.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.3	175.5	-65	173.8	0	0	0	108	F124 E125 E142 V163 F192 F227 Q231	F124-I140 HydrophobicContact CB-CG1 4.4Å; F124-I140 HydrophobicContact CB-CG2 4.42Å; F124-I140 HydrophobicContact CD1-CD1 4.11Å; F124-I140 HydrophobicContact CD1-CG2 4Å; F124-I140 HydrophobicContact CD2-CD1 3.93Å; F124-I140 HydrophobicContact CE1-CD1 4.27Å; F124-I140 HydrophobicContact CE2-CD1 4.09Å; F124-I140 HydrophobicContact CG-CD1 3.96Å; F124-I140 HydrophobicContact CG-CG1 4.27Å; F124-I140 HydrophobicContact CG-CG2 4.35Å; F124-I140 HydrophobicContact CZ-CD1 4.24Å; E125-I140 WeakPolarHBondContact O-CA 3.46Å; I140-E142 WeakPolarHBondContact CG2-O 3.31Å; I140-V163 HydrophobicContact CG2-CG2 4.19Å; I140-V163 VanDerWaalsContact O-CB 3.22Å; I140-V163 WeakPolarHBondContact O-CB 3.12Å; I140-V163 WeakPolarHBondContact O-CG1 3.28Å; I140-F192 HydrophobicContact CB-CD2 4.41Å; I140-F192 HydrophobicContact CD1-CD2 4.47Å; I140-F192 HydrophobicContact CD1-CE2 3.79Å; I140-F192 HydrophobicContact CD1-CZ 4.41Å; I140-F227 HydrophobicContact CD1-CB 4.33Å; I140-F227 HydrophobicContact CG1-CB 4.1Å; I140-Q231 HydrophobicContact CB-CG 4.37Å; I140-Q231 HydrophobicContact CD1-CB 3.88Å; I140-Q231 HydrophobicContact CD1-CG 4.11Å; I140-Q231 HydrophobicContact CG1-CB 4.14Å; I140-Q231 HydrophobicContact CG1-CG 4.28Å
141	I	98.9	Very high	95.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-12.1	177.9	58.2	176.2	0	0	0	113	E125 T127 E139 Y162 V163 P165 L171 I181 V186	E125-I141 HydrophobicContact CB-CG1 4.18Å; E125-I141 PolarHBondContact O-N 2.86Å; T127-I141 HydrophobicContact CG2-CG2 3.61Å; E139-I141 PolarHBondContact O-N 3.17Å; I141-Y162 VanDerWaalsContact O-CA 3.31Å; I141-Y162 WeakPolarHBondContact O-CA 3.2Å; I141-V163 PolarHBondContact O-N 3.46Å; I141-P165 HydrophobicContact CG2-CB 4.28Å; I141-P165 HydrophobicContact CG2-CG 3.89Å; I141-L171 HydrophobicContact CD1-CD2 4.11Å; I141-L171 HydrophobicContact CG2-CD2 4.27Å; I141-I181 HydrophobicContact CD1-CD1 3.96Å; I141-I181 HydrophobicContact CG1-CD1 3.92Å; I141-V186 HydrophobicContact CB-CG1 4.04Å; I141-V186 HydrophobicContact CG2-CG1 4.23Å
142	E	98.9	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.2	168.7	-167	-176.2	167.4	0	0	110	E125 I140 P144 Q160 Y162 I181 G284 L285	E125-E142 HydrophobicContact CB-CB 3.78Å; E125-E142 HydrophobicContact CG-CB 4.09Å; E125-E142 WeakPolarHBondContact CG-OE2 3.5Å; E125-E142 PolarHBondContact N-O 2.95Å; E125-E142 PolarHBondContact O-N 3.43Å; I140-E142 WeakPolarHBondContact CG2-O 3.31Å; E142-P144 WeakPolarHBondContact O-CD 3.29Å; E142-Q160 HydrophobicContact CG-CG 4.47Å; E142-Q160 PolarHBondContact OE1-NE2 2.49Å; E142-Y162 HydrophobicContact CB-CD1 4.11Å; E142-Y162 HydrophobicContact CB-CE1 4.28Å; E142-Y162 HydrophobicContact CG-CD1 3.97Å; E142-Y162 HydrophobicContact CG-CE1 3.84Å; E142-I181 HydrophobicContact CB-CD1 3.87Å; E142-G284 PolarHBondContact OE1-N 2.81Å; E142-G284 PolarHBondContact OE2-N 3.28Å; E142-L285 PolarHBondContact OE1-N 2.79Å; E142-L285 VanDerWaalsContact OE1-N 3.07Å
143	F	98.9	Very high	96.6	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	86.7	175.8	-157.4	-56.2	0	0	0	110	F124 M145 F159 A161 V163 F192 V195 L196 V199	F124-F143 HydrophobicContact CD1-CD2 4.13Å; F124-F143 HydrophobicContact CD1-CE2 4.45Å; F124-F143 HydrophobicContact CD1-CG 4.19Å; F124-F143 HydrophobicContact CE1-CB 4.4Å; F124-F143 AromaticContact CE1-CD1 3.75Å; F124-F143 HydrophobicContact CE1-CD1 3.75Å; F124-F143 AromaticContact CE1-CD2 3.36Å; F124-F143 HydrophobicContact CE1-CD2 3.36Å; F124-F143 AromaticContact CE1-CE1 3.71Å; F124-F143 HydrophobicContact CE1-CE1 3.71Å; F124-F143 AromaticContact CE1-CE2 3.32Å; F124-F143 HydrophobicContact CE1-CE2 3.32Å; F124-F143 AromaticContact CE1-CG 3.58Å; F124-F143 HydrophobicContact CE1-CG 3.58Å; F124-F143 AromaticContact CE1-CZ 3.5Å; F124-F143 HydrophobicContact CE1-CZ 3.5Å; F124-F143 VanDerWaalsContact CE1-CZ 3.5Å; F124-F143 HydrophobicContact CZ-CD2 4.11Å; F124-F143 HydrophobicContact CZ-CE1 4.2Å; F124-F143 AromaticContact CZ-CE2 3.6Å; F124-F143 HydrophobicContact CZ-CE2 3.6Å; F124-F143 AromaticContact CZ-CZ 3.65Å; F124-F143 HydrophobicContact CZ-CZ 3.65Å; F143-M145 HydrophobicContact CD1-CG 4.17Å; F143-M145 HydrophobicContact CE1-CE 4.37Å; F143-M145 HydrophobicContact CE1-CG 3.97Å; F143-M145 HydrophobicContact CE1-SD 4.18Å; F143-F159 WeakPolarHBondContact O-CD1 3.15Å; F143-A161 PolarHBondContact N-O 3Å; F143-A161 PolarHBondContact O-N 3.44Å; F143-V163 HydrophobicContact CB-CG2 4.32Å; F143-F192 AromaticContact CD2-CE2 3.86Å; F143-F192 HydrophobicContact CD2-CE2 3.86Å; F143-F192 AromaticContact CE2-CE2 3.91Å; F143-F192 HydrophobicContact CE2-CE2 3.91Å; F143-F192 HydrophobicContact CE2-CZ 4.33Å; F143-V195 HydrophobicContact CB-CG1 3.86Å; F143-V195 HydrophobicContact CG-CG1 4.33Å; F143-L196 HydrophobicContact CE2-CD1 4.38Å; F143-L196 HydrophobicContact CZ-CD1 4.48Å; F143-V199 HydrophobicContact CD1-CG2 3.47Å; F143-V199 VanDerWaalsContact CD1-CG2 3.47Å; F143-V199 HydrophobicContact CD2-CG2 4.5Å; F143-V199 HydrophobicContact CE1-CB 4.22Å; F143-V199 HydrophobicContact CE1-CG1 3.78Å; F143-V199 HydrophobicContact CE1-CG2 3.48Å; F143-V199 VanDerWaalsContact CE1-CG2 3.48Å; F143-V199 HydrophobicContact CG-CG2 4.03Å; F143-V199 HydrophobicContact CZ-CB 4.47Å; F143-V199 HydrophobicContact CZ-CG1 3.99Å; F143-V199 HydrophobicContact CZ-CG2 4.03Å
144	P	98.8	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	150.6	175.3	36.2	-33.8	0	0	0	111.6	D123 E142 F159 G284 L285	D123-P144 VanDerWaalsContact O-CD 3.26Å; D123-P144 WeakPolarHBondContact O-CD 3.24Å; D123-P144 WeakPolarHBondContact O-CG 3.23Å; E142-P144 WeakPolarHBondContact O-CD 3.29Å; P144-F159 CarbonylContact C-O 3.54Å; P144-F159 WeakPolarHBondContact CA-O 3.2Å; P144-G284 VanDerWaalsContact CG-C 3.41Å; P144-G284 WeakPolarHBondContact CG-O 3.4Å; P144-L285 HydrophobicContact CB-CB 4.06Å; P144-L285 HydrophobicContact CB-CD1 4.28Å
145	M	98.8	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.7	165.5	-48.2	-165.4	91.9	0	0	111.1	C120 V121 V122 F143 T158 F159 V199 W202 L203 M216	C120-M145 WeakPolarHBondContact SG-CE 3.22Å; V121-M145 CarbonylContact O-C 3.43Å; V121-M145 VanDerWaalsContact O-CA 3.28Å; V121-M145 WeakPolarHBondContact O-CA 3.34Å; V122-M145 HydrophobicContact CG2-CE 3.46Å; V122-M145 VanDerWaalsContact CG2-CE 3.46Å; V122-M145 HydrophobicContact CG2-CG 4.11Å; F143-M145 HydrophobicContact CD1-CG 4.17Å; F143-M145 HydrophobicContact CE1-CE 4.37Å; F143-M145 HydrophobicContact CE1-CG 3.97Å; F143-M145 HydrophobicContact CE1-SD 4.18Å; M145-T158 CarbonylContact O-C 3.57Å; M145-T158 VanDerWaalsContact O-CA 3.29Å; M145-T158 WeakPolarHBondContact O-CA 3.31Å; M145-F159 HydrophobicContact CB-CB 4.14Å; M145-F159 HydrophobicContact CG-CB 4.45Å; M145-F159 HydrophobicContact CG-CD1 4.35Å; M145-F159 PolarHBondContact N-O 3.37Å; M145-F159 PolarHBondContact O-N 2.95Å; M145-V199 HydrophobicContact CE-CG1 4.25Å; M145-V199 HydrophobicContact SD-CB 4.48Å; M145-V199 HydrophobicContact SD-CG1 3.54Å; M145-V199 VanDerWaalsContact SD-CG1 3.54Å; M145-V199 HydrophobicContact SD-CG2 4.42Å; M145-W202 HydrophobicContact CB-CH2 4.06Å; M145-W202 HydrophobicContact CB-CZ3 3.91Å; M145-W202 HydrophobicContact SD-CE3 3.95Å; M145-W202 HydrophobicContact SD-CZ3 3.88Å; M145-L203 HydrophobicContact CE-CD1 4.23Å; M145-L203 HydrophobicContact CE-CD2 4.03Å; M145-L203 HydrophobicContact CE-CG 4.48Å; M145-L203 HydrophobicContact SD-CD1 4.41Å; M145-L203 HydrophobicContact SD-CD2 4.05Å; M145-L203 HydrophobicContact SD-CG 4.23Å; M145-M216 HydrophobicContact CE-CE 3.54Å; M145-M216 HydrophobicContact CE-SD 4.44Å
146	V	98.9	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124	174	176.9	0	0	0	0	109.4	V121 I155 T158 L285 R289 A292	V121-V146 HydrophobicContact CB-CB 4.24Å; V121-V146 PolarHBondContact N-O 2.92Å; V121-V146 PolarHBondContact O-N 3.14Å; V146-I155 HydrophobicContact CG1-CB 4.38Å; V146-I155 HydrophobicContact CG1-CD1 4.01Å; V146-I155 HydrophobicContact CG1-CG1 3.95Å; V146-I155 HydrophobicContact CG1-CG2 3.57Å; V146-T158 HydrophobicContact CG1-CG2 4.31Å; V146-T158 HydrophobicContact CG2-CG2 4Å; V146-L285 HydrophobicContact CG2-CD1 3.95Å; V146-R289 HydrophobicContact CG2-CG 3.98Å; V146-A292 HydrophobicContact CB-CB 4.48Å; V146-A292 HydrophobicContact CG1-CB 3.71Å
147	L	98.9	Very high	98.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122	-177.7	-168.9	65	0	0	0	111.3	Y118 C120 I155 V156 D157 W202 R206 L208	Y118-L147 HydrophobicContact CD1-CD1 3.91Å; Y118-L147 HydrophobicContact CD1-CD2 3.82Å; Y118-L147 HydrophobicContact CD1-CG 3.69Å; Y118-L147 HydrophobicContact CE1-CD2 4.09Å; Y118-L147 HydrophobicContact CE1-CG 4.34Å; Y118-L147 HydrophobicContact CG-CD1 4.13Å; Y118-L147 HydrophobicContact CG-CD2 4.5Å; Y118-L147 HydrophobicContact CG-CG 4.4Å; C120-L147 HydrophobicContact CB-CD1 4.32Å; L147-I155 CarbonylContact O-C 3.55Å; L147-I155 WeakPolarHBondContact O-CA 3.33Å; L147-V156 HydrophobicContact CB-CG2 4.12Å; L147-V156 HydrophobicContact CD2-CG2 3.85Å; L147-V156 HydrophobicContact CG-CG2 3.88Å; L147-V156 PolarHBondContact O-N 3.46Å; L147-D157 HydrophobicContact CB-CB 4.03Å; L147-D157 HydrophobicContact CD2-CB 4.39Å; L147-D157 PolarHBondContact N-O 3.13Å; L147-W202 HydrophobicContact CB-CH2 3.87Å; L147-R206 HydrophobicContact CD2-CG 4.36Å; L147-L208 HydrophobicContact CD1-CD1 3.98Å
148	I	98.9	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.7	175.3	-52.8	169.8	0	0	0	108.6	Y118 I119 V121 Q154 A292 A295 V296	Y118-I148 CarbonylContact C-O 3.56Å; Y118-I148 WeakPolarHBondContact CA-O 3.36Å; Y118-I148 WeakPolarHBondContact CD1-O 3.45Å; I119-I148 HydrophobicContact CB-CB 4.42Å; I119-I148 PolarHBondContact N-O 3.27Å; I119-I148 PolarHBondContact O-N 3.23Å; V121-I148 HydrophobicContact CG2-CD1 3.77Å; V121-I148 HydrophobicContact CG2-CG1 4.34Å; I148-Q154 WeakPolarHBondContact CA-O 3.38Å; I148-A292 HydrophobicContact CD1-CB 3.67Å; I148-A292 HydrophobicContact CG1-CB 3.91Å; I148-A295 HydrophobicContact CD1-CB 3.78Å; I148-V296 HydrophobicContact CD1-CG2 4.45Å; I148-V296 HydrophobicContact CG2-CG2 3.81Å
149	N	98.7	Very high	98.5	Very high	19 Å²	19	32.1 Å²	32.1	10%	0.102	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.6	164.6	-178.3	-55.7	0	0	0	108.8	Y118 H151 T152 L153 Q154 V156	Y118-N149 HydrophobicContact CD1-CB 4.07Å; Y118-N149 HydrophobicContact CE1-CB 3.67Å; Y118-N149 PolarHBondContact OH-ND2 3.48Å; N149-H151 VanDerWaalsContact C-N 3.31Å; N149-H151 PolarHBondContact O-N 2.86Å; N149-H151 WeakPolarHBondContact OD1-CA 3.47Å; N149-H151 WeakPolarHBondContact OD1-CB 3.23Å; N149-H151 PolarHBondContact OD1-N 2.89Å; N149-T152 WeakPolarHBondContact CB-OG1 3.45Å; N149-T152 PolarHBondContact OD1-N 2.82Å; N149-T152 PolarHBondContact OD1-OG1 3.04Å; N149-L153 VanDerWaalsContact O-CA 3.24Å; N149-L153 WeakPolarHBondContact O-CA 3.23Å; N149-L153 PolarHBondContact O-N 2.85Å; N149-Q154 PolarHBondContact N-O 2.78Å; N149-Q154 PolarHBondContact O-N 2.95Å; N149-V156 HydrophobicContact CB-CG1 3.63Å; N149-V156 HydrophobicContact CB-CG2 4.33Å
150	T	98.1	Very high	98.5	Very high	17 Å²	17	35.6 Å²	35.6	10%	0.104	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-18.7	-173.2	65.8	0	0	0	0	113.1	Y115 Y116 D117 I119 L153 L299	Y115-T150 HydrophobicContact CE1-CG2 4.21Å; Y116-T150 WeakPolarHBondContact O-CB 3.45Å; Y116-T150 WeakPolarHBondContact O-CG2 3.35Å; Y116-T150 PolarHBondContact O-OG1 3.05Å; D117-T150 PolarHBondContact O-N 2.56Å; D117-T150 PolarHBondContact O-OG1 2.99Å; D117-T150 VanDerWaalsContact O-OG1 3.1Å; I119-T150 HydrophobicContact CD1-CG2 4.08Å; I119-T150 HydrophobicContact CG1-CG2 3.91Å; T150-L153 WeakPolarHBondContact O-CD2 3.44Å; T150-L299 HydrophobicContact CG2-CD1 4.49Å
151	H	96.3	Very high	98.5	Very high	130 Å²	130	35.8 Å²	35.8	60%	0.602	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-46.4	177.3	-56.9	-73.9	0	0	0	111	D117 N149	D117-H151 IonicContact OD1-CD2 3.53Å; D117-H151 IonicContact OD1-CE1 3.8Å; D117-H151 IonicContact OD1-NE2 2.8Å; D117-H151 PolarHBondContact OD1-NE2 2.87Å; N149-H151 VanDerWaalsContact C-N 3.31Å; N149-H151 PolarHBondContact O-N 2.86Å; N149-H151 WeakPolarHBondContact OD1-CA 3.47Å; N149-H151 WeakPolarHBondContact OD1-CB 3.23Å; N149-H151 PolarHBondContact OD1-N 2.89Å
152	T	97.9	Very high	98.5	Very high	78 Å²	78	39.4 Å²	39.4	48%	0.479	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-16.8	179.2	67.6	0	0	0	0	113	N149 Q154	N149-T152 WeakPolarHBondContact CB-OG1 3.45Å; N149-T152 PolarHBondContact OD1-N 2.82Å; N149-T152 PolarHBondContact OD1-OG1 3.04Å; T152-Q154 PolarHBondContact O-N 3.35Å; T152-Q154 PolarHBondContact OG1-N 3.28Å
153	L	98	Very high	98.5	Very high	42 Å²	42	39.4 Å²	39.4	22%	0.22	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	36	-175.5	-58.3	173.5	0	0	0	112.6	N149 T150 V296 L299 Q300	N149-L153 VanDerWaalsContact O-CA 3.24Å; N149-L153 WeakPolarHBondContact O-CA 3.23Å; N149-L153 PolarHBondContact O-N 2.85Å; T150-L153 WeakPolarHBondContact O-CD2 3.44Å; L153-V296 HydrophobicContact CB-CG1 4.25Å; L153-V296 WeakPolarHBondContact O-CG1 3.39Å; L153-L299 HydrophobicContact CD2-CB 3.69Å; L153-L299 HydrophobicContact CD2-CD1 3.79Å; L153-L299 HydrophobicContact CD2-CG 4.38Å; L153-Q300 HydrophobicContact CD1-CG 3.71Å
154	Q	98.2	Very high	98.5	Very high	117 Å²	117	43 Å²	43	55%	0.547	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149	177.5	-61.3	-57.8	-44.8	0	0	110.9	I148 N149 T152 V156	I148-Q154 WeakPolarHBondContact CA-O 3.38Å; N149-Q154 PolarHBondContact N-O 2.78Å; N149-Q154 PolarHBondContact O-N 2.95Å; T152-Q154 PolarHBondContact O-N 3.35Å; T152-Q154 PolarHBondContact OG1-N 3.28Å; Q154-V156 HydrophobicContact CB-CG1 4.42Å; Q154-V156 PolarHBondContact O-N 2.81Å
155	I	98.6	Very high	98.5	Very high	64 Å²	64	43.2 Å²	43.2	33%	0.328	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	119.3	159.8	-63.5	169.3	0	0	0	106.2	V146 L147 T158 A292	V146-I155 HydrophobicContact CG1-CB 4.38Å; V146-I155 HydrophobicContact CG1-CD1 4.01Å; V146-I155 HydrophobicContact CG1-CG1 3.95Å; V146-I155 HydrophobicContact CG1-CG2 3.57Å; L147-I155 CarbonylContact O-C 3.55Å; L147-I155 WeakPolarHBondContact O-CA 3.33Å; I155-T158 HydrophobicContact CG2-CG2 4.17Å; I155-A292 HydrophobicContact CD1-CB 3.84Å; I155-A292 HydrophobicContact CG1-CB 4.05Å
156	V	98.7	Very high	98.4	Very high	69 Å²	69	49 Å²	49	42%	0.418	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-17	-175.9	-65.7	0	0	0	0	113	Y118 L147 N149 Q154	Y118-V156 HydrophobicContact CD1-CG2 4.34Å; Y118-V156 HydrophobicContact CE1-CG2 3.87Å; L147-V156 HydrophobicContact CB-CG2 4.12Å; L147-V156 HydrophobicContact CD2-CG2 3.85Å; L147-V156 HydrophobicContact CG-CG2 3.88Å; L147-V156 PolarHBondContact O-N 3.46Å; N149-V156 HydrophobicContact CB-CG1 3.63Å; N149-V156 HydrophobicContact CB-CG2 4.33Å; Q154-V156 HydrophobicContact CB-CG1 4.42Å; Q154-V156 PolarHBondContact O-N 2.81Å
157	D	98.7	Very high	98.3	Very high	53 Å²	53	52.2 Å²	52.2	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	158.6	-178.2	-145.7	-28.9	0	0	0	112.2	L147 W202 R206	L147-D157 HydrophobicContact CB-CB 4.03Å; L147-D157 HydrophobicContact CD2-CB 4.39Å; L147-D157 PolarHBondContact N-O 3.13Å; D157-W202 HydrophobicContact CB-CZ2 3.85Å; D157-R206 IonicContact OD1-NH2 3.58Å; D157-R206 IonicContact OD2-CZ 3.54Å; D157-R206 IonicContact OD2-NE 3.44Å; D157-R206 PolarHBondContact OD2-NE 2.94Å; D157-R206 IonicContact OD2-NH2 2.73Å; D157-R206 PolarHBondContact OD2-NH2 3Å
158	T	98.8	Very high	98.2	Very high	47 Å²	47	54.6 Å²	54.6	29%	0.288	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.1	175.5	59.2	0	0	0	0	111.4	M145 V146 I155 L285	M145-T158 CarbonylContact O-C 3.57Å; M145-T158 VanDerWaalsContact O-CA 3.29Å; M145-T158 WeakPolarHBondContact O-CA 3.31Å; V146-T158 HydrophobicContact CG1-CG2 4.31Å; V146-T158 HydrophobicContact CG2-CG2 4Å; I155-T158 HydrophobicContact CG2-CG2 4.17Å; T158-L285 HydrophobicContact CG2-CD1 4.35Å
159	F	98.8	Very high	98.2	Very high	26 Å²	26	57.2 Å²	57.2	11%	0.114	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.8	170.3	177	-90.2	0	0	0	109.2	F143 P144 M145 A161 R198 V199 W202	F143-F159 WeakPolarHBondContact O-CD1 3.15Å; P144-F159 CarbonylContact C-O 3.54Å; P144-F159 WeakPolarHBondContact CA-O 3.2Å; M145-F159 HydrophobicContact CB-CB 4.14Å; M145-F159 HydrophobicContact CG-CB 4.45Å; M145-F159 HydrophobicContact CG-CD1 4.35Å; M145-F159 PolarHBondContact N-O 3.37Å; M145-F159 PolarHBondContact O-N 2.95Å; F159-A161 HydrophobicContact CE1-CB 3.65Å; F159-A161 HydrophobicContact CZ-CB 3.72Å; F159-R198 HydrophobicContact CE2-CB 4.26Å; F159-R198 HydrophobicContact CZ-CB 4.11Å; F159-V199 HydrophobicContact CD1-CG2 3.99Å; F159-V199 HydrophobicContact CE1-CG2 3.45Å; F159-V199 VanDerWaalsContact CE1-CG2 3.45Å; F159-V199 HydrophobicContact CZ-CG2 3.95Å; F159-W202 HydrophobicContact CB-CD2 3.9Å; F159-W202 HydrophobicContact CB-CE3 4.44Å; F159-W202 HydrophobicContact CB-CG 4.17Å; F159-W202 HydrophobicContact CB-CZ2 4.01Å; F159-W202 HydrophobicContact CD2-CB 4.21Å; F159-W202 AromaticContact CD2-CD1 3.76Å; F159-W202 AromaticContact CD2-CG 3.93Å; F159-W202 HydrophobicContact CD2-CG 3.93Å; F159-W202 HydrophobicContact CG-CD2 4.48Å; F159-W202 HydrophobicContact CG-CG 4.33Å
160	Q	98.8	Very high	98.2	Very high	74 Å²	74	62.8 Å²	62.8	35%	0.346	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	131.3	171.9	-170.9	-177.4	24.5	0	0	108.8	E142 L285	E142-Q160 HydrophobicContact CG-CG 4.47Å; E142-Q160 PolarHBondContact OE1-NE2 2.49Å; Q160-L285 HydrophobicContact CB-CD2 4.02Å; Q160-L285 HydrophobicContact CG-CB 4.17Å; Q160-L285 HydrophobicContact CG-CD2 4.28Å; Q160-L285 VanDerWaalsContact OE1-CD2 3.29Å
161	A	98.9	Very high	98.2	Very high	6 Å²	6	62.8 Å²	62.8	5%	0.05	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.2	169.8	0	0	0	0	0	109	F143 F159 V195	F143-A161 PolarHBondContact N-O 3Å; F143-A161 PolarHBondContact O-N 3.44Å; F159-A161 HydrophobicContact CE1-CB 3.65Å; F159-A161 HydrophobicContact CZ-CB 3.72Å; A161-V195 HydrophobicContact CB-CG1 3.61Å; A161-V195 HydrophobicContact CB-CG2 4.42Å
162	Y	98.9	Very high	98.3	Very high	75 Å²	75	58.1 Å²	58.1	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	156.6	166.1	-61.6	-70.3	0	0	0	109.7	I141 E142 I181 T185	I141-Y162 VanDerWaalsContact O-CA 3.31Å; I141-Y162 WeakPolarHBondContact O-CA 3.2Å; E142-Y162 HydrophobicContact CB-CD1 4.11Å; E142-Y162 HydrophobicContact CB-CE1 4.28Å; E142-Y162 HydrophobicContact CG-CD1 3.97Å; E142-Y162 HydrophobicContact CG-CE1 3.84Å; Y162-I181 HydrophobicContact CD1-CD1 4.15Å; Y162-I181 HydrophobicContact CD1-CG1 4.35Å; Y162-I181 HydrophobicContact CD1-CG2 4.17Å; Y162-I181 HydrophobicContact CE1-CD1 3.98Å; Y162-I181 HydrophobicContact CE1-CG1 3.87Å; Y162-I181 HydrophobicContact CE1-CG2 4.31Å; Y162-T185 HydrophobicContact CD1-CG2 3.8Å; Y162-T185 HydrophobicContact CD2-CG2 3.25Å; Y162-T185 HydrophobicContact CE1-CG2 4.1Å; Y162-T185 HydrophobicContact CE2-CG2 3.56Å; Y162-T185 HydrophobicContact CG-CG2 3.37Å
163	V	98.9	Very high	98.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.3	-177.2	177.8	0	0	0	0	108.5	I140 I141 F143 P165 D190 F192 V195	I140-V163 HydrophobicContact CG2-CG2 4.19Å; I140-V163 VanDerWaalsContact O-CB 3.22Å; I140-V163 WeakPolarHBondContact O-CB 3.12Å; I140-V163 WeakPolarHBondContact O-CG1 3.28Å; I141-V163 PolarHBondContact O-N 3.46Å; F143-V163 HydrophobicContact CB-CG2 4.32Å; V163-P165 WeakPolarHBondContact O-CD 3.4Å; V163-D190 WeakPolarHBondContact CA-O 3.45Å; V163-F192 HydrophobicContact CG1-CB 3.71Å; V163-F192 HydrophobicContact CG1-CD2 4.24Å; V163-F192 HydrophobicContact CG2-CD2 4.41Å; V163-V195 HydrophobicContact CG2-CB 3.98Å; V163-V195 HydrophobicContact CG2-CG1 3.86Å; V163-V195 HydrophobicContact CG2-CG2 3.91Å
164	K	98.8	Very high	98.3	Very high	83 Å²	83	61.1 Å²	61.1	36%	0.361	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.6	175.9	-175.5	166.8	-172.2	157.7	0	110.8	V186 D187 A189 D190	K164-V186 WeakPolarHBondContact CB-O 3.42Å; K164-V186 WeakPolarHBondContact CG-O 3.49Å; K164-D187 PolarHBondContact NZ-O 3.35Å; K164-A189 HydrophobicContact CB-CB 4.24Å; K164-A189 WeakPolarHBondContact CB-O 3.1Å; K164-D190 PolarHBondContact N-O 2.97Å
165	P	98.6	Very high	98.2	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.019	29%	0.287	C	S	.	.			trans	-72.8	143.3	172.9	25.9	-25	0	0	0	110.8	T127 E139 I141 V163 L171	T127-P165 HydrophobicContact CG2-CB 3.99Å; T127-P165 HydrophobicContact CG2-CG 4.1Å; E139-P165 HydrophobicContact CB-CB 3.91Å; E139-P165 HydrophobicContact CG-CB 4.43Å; E139-P165 WeakPolarHBondContact OE2-CB 3.33Å; I141-P165 HydrophobicContact CG2-CB 4.28Å; I141-P165 HydrophobicContact CG2-CG 3.89Å; V163-P165 WeakPolarHBondContact O-CD 3.4Å; P165-L171 HydrophobicContact CG-CD2 4.43Å
166	E	96.8	Very high	98.2	Very high	122 Å²	122	54.7 Å²	54.7	57%	0.57	29%	0.285	S	S	*	.	S	Bend	trans	-112.4	-28.9	-176.5	-64	-176.2	137.1	0	0	112.6	E139	E139-E166 PolarHBondContact OE1-N 3.15Å
167	V	97	Very high	98.2	Very high	68 Å²	68	59.5 Å²	59.5	41%	0.412	30%	0.3	S	S	.	.	S	Bend	trans	-82.5	-48.7	179.3	-178.2	0	0	0	0	110.6	L137 E139 P169 I234	L137-V167 HydrophobicContact CD1-CG1 4.38Å; E139-V167 VanDerWaalsContact CD-N 3.33Å; E139-V167 HydrophobicContact CG-CB 4.5Å; E139-V167 PolarHBondContact OE1-N 3.27Å; E139-V167 WeakPolarHBondContact OE2-CA 3.42Å; E139-V167 WeakPolarHBondContact OE2-CB 3.34Å; E139-V167 PolarHBondContact OE2-N 3.12Å; E139-V167 VanDerWaalsContact OE2-N 3.09Å; V167-P169 VanDerWaalsContact C-CD 3.45Å; V167-P169 WeakPolarHBondContact O-CD 3.3Å; V167-I234 HydrophobicContact CG2-CD1 4.25Å; V167-I234 HydrophobicContact CG2-CG1 4.43Å; V167-I234 HydrophobicContact CG2-CG2 3.63Å
168	N	96.4	Very high	98.1	Very high	54 Å²	54	58.3 Å²	58.3	29%	0.289	29%	0.293	S	S	.	.	S	Bend	trans	-120.8	72.1	178.2	-61.4	-62.3	0	0	0	109.3	L137 E139 Q170	L137-N168 PolarHBondContact O-ND2 2.86Å; E139-N168 PolarHBondContact OE2-N 3.23Å; N168-Q170 VanDerWaalsContact C-N 3.26Å; N168-Q170 PolarHBondContact O-N 3.12Å
169	P	97.6	Very high	98	Very high	55 Å²	55	56.2 Å²	56.2	36%	0.357	28%	0.281	S	S	.	.			trans	-65.5	-27.6	-172.4	25.1	-34.7	0	0	0	113.5	V167 Q183	V167-P169 VanDerWaalsContact C-CD 3.45Å; V167-P169 WeakPolarHBondContact O-CD 3.3Å; P169-Q183 PolarHBondContact O-NE2 3.17Å
170	Q	98.4	Very high	98	Very high	135 Å²	135	56.8 Å²	56.8	63%	0.631	29%	0.293	S	S	*	.	S	Bend	trans	-87.2	117.6	176.9	-58.6	-53.3	112.7	0	0	110.3	N168	N168-Q170 VanDerWaalsContact C-N 3.26Å; N168-Q170 PolarHBondContact O-N 3.12Å
171	L	98.5	Very high	98	Very high	17 Å²	17	53.4 Å²	53.4	9%	0.089	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-69.5	138.4	173.9	-56.6	-176.7	0	0	0	110.2	T127 I141 P165 V176 I181 V186	T127-L171 HydrophobicContact CG2-CD2 3.89Å; I141-L171 HydrophobicContact CD1-CD2 4.11Å; I141-L171 HydrophobicContact CG2-CD2 4.27Å; P165-L171 HydrophobicContact CG-CD2 4.43Å; L171-V176 HydrophobicContact CB-CG2 3.73Å; L171-V176 HydrophobicContact CD1-CG2 4.09Å; L171-I181 HydrophobicContact CD1-CG2 4.39Å; L171-V186 HydrophobicContact CD1-CG1 3.99Å; L171-V186 HydrophobicContact CD1-CG2 3.78Å; L171-V186 HydrophobicContact CD2-CG2 4.3Å; L171-V186 HydrophobicContact CG-CG2 3.89Å
172	S	98.2	Very high	98	Very high	33 Å²	33	56 Å²	56	23%	0.231	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-69	152.4	170.4	74.8	0	0	0	0	110.9	C128 F174 C175 V176	C128-S172 PolarHBondContact O-OG 3.41Å; S172-F174 PolarHBondContact O-N 3.48Å; S172-C175 WeakPolarHBondContact O-CB 3.19Å; S172-C175 PolarHBondContact O-N 2.71Å; S172-C175 WeakPolarHBondContact OG-CB 3.3Å; S172-C175 PolarHBondContact OG-N 3.04Å; S172-V176 PolarHBondContact O-N 2.7Å
173	D	97.9	Very high	98	Very high	147 Å²	147	54.3 Å²	54.3	79%	0.786	29%	0.288	S	S	*	.	H	α-helix	trans	-55.6	-36.1	173.9	-71.1	-23	0	0	0	111.8	K177	D173-K177 VanDerWaalsContact O-CB 3.25Å; D173-K177 WeakPolarHBondContact O-CB 3.41Å; D173-K177 PolarHBondContact O-N 3.33Å
174	F	97.7	Very high	98	Very high	35 Å²	35	62 Å²	62	15%	0.154	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-47.4	175	177	-94.1	0	0	0	111.7	H4 E130 S172 K177 L178	H4-F174 HydrophobicContact CB-CZ 3.98Å; H4-F174 AromaticContact CD2-CE2 3.89Å; H4-F174 AromaticContact CD2-CZ 3.8Å; E130-F174 HydrophobicContact CB-CB 4.01Å; E130-F174 HydrophobicContact CB-CD1 4.42Å; E130-F174 HydrophobicContact CB-CD2 3.71Å; E130-F174 HydrophobicContact CB-CE2 4.3Å; E130-F174 HydrophobicContact CB-CG 3.78Å; E130-F174 HydrophobicContact CG-CD2 3.78Å; E130-F174 HydrophobicContact CG-CE2 4.08Å; E130-F174 HydrophobicContact CG-CG 4.38Å; S172-F174 PolarHBondContact O-N 3.48Å; F174-K177 PolarHBondContact O-N 2.68Å; F174-L178 HydrophobicContact CE1-CB 4.47Å; F174-L178 HydrophobicContact CE1-CD2 3.83Å; F174-L178 HydrophobicContact CZ-CD2 4.14Å; F174-L178 VanDerWaalsContact O-CB 3.24Å; F174-L178 WeakPolarHBondContact O-CB 3.49Å; F174-L178 PolarHBondContact O-N 2.79Å
175	C	97.9	Very high	98	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-50.1	178.2	-173.2	0	0	0	0	110.9	S172 K177 L178 T179	S172-C175 WeakPolarHBondContact O-CB 3.19Å; S172-C175 PolarHBondContact O-N 2.71Å; S172-C175 WeakPolarHBondContact OG-CB 3.3Å; S172-C175 PolarHBondContact OG-N 3.04Å; C175-K177 VanDerWaalsContact C-N 3.33Å; C175-K177 PolarHBondContact O-N 2.94Å; C175-L178 PolarHBondContact O-N 3.03Å; C175-T179 PolarHBondContact O-N 2.81Å; C175-T179 PolarHBondContact O-OG1 2.91Å
176	V	98.2	Very high	98	Very high	47 Å²	47	60 Å²	60	29%	0.285	32%	0.319	S	S	.	.	H	α-helix	trans	-58.7	-45	178.3	176.6	0	0	0	0	111	L171 S172 G180	L171-V176 HydrophobicContact CB-CG2 3.73Å; L171-V176 HydrophobicContact CD1-CG2 4.09Å; S172-V176 PolarHBondContact O-N 2.7Å; V176-G180 WeakPolarHBondContact O-CA 3.37Å; V176-G180 PolarHBondContact O-N 3.43Å
177	K	97.9	Very high	98.1	Very high	170 Å²	170	57.8 Å²	57.8	74%	0.739	31%	0.311	S	S	*	.	H	α-helix	trans	-65	-42.3	178.2	-176.7	179.8	178.1	-176.6	0	112	D173 F174 C175 R280	D173-K177 VanDerWaalsContact O-CB 3.25Å; D173-K177 WeakPolarHBondContact O-CB 3.41Å; D173-K177 PolarHBondContact O-N 3.33Å; F174-K177 PolarHBondContact O-N 2.68Å; C175-K177 VanDerWaalsContact C-N 3.33Å; C175-K177 PolarHBondContact O-N 2.94Å; K177-R280 PolarHBondContact O-NH2 3.15Å
178	L	96.7	Very high	98.1	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-66.5	-59.1	-179	-177.9	65.5	0	0	0	110.4	F174 C175 R280 H282	F174-L178 HydrophobicContact CE1-CB 4.47Å; F174-L178 HydrophobicContact CE1-CD2 3.83Å; F174-L178 HydrophobicContact CZ-CD2 4.14Å; F174-L178 VanDerWaalsContact O-CB 3.24Å; F174-L178 WeakPolarHBondContact O-CB 3.49Å; F174-L178 PolarHBondContact O-N 2.79Å; C175-L178 PolarHBondContact O-N 3.03Å; L178-R280 PolarHBondContact O-NH1 3.44Å; L178-R280 PolarHBondContact O-NH2 2.94Å; L178-H282 HydrophobicContact CD1-CB 4.43Å; L178-H282 HydrophobicContact CG-CB 4.27Å; L178-H282 WeakPolarHBondContact O-CB 3.39Å
179	T	97.9	Very high	98.2	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-84.3	-24.4	-171.1	67.5	0	0	0	0	113.5	E125 C175 I181 R280 H282	E125-T179 HydrophobicContact CB-CG2 4.22Å; E125-T179 HydrophobicContact CG-CG2 4.37Å; C175-T179 PolarHBondContact O-N 2.81Å; C175-T179 PolarHBondContact O-OG1 2.91Å; T179-I181 PolarHBondContact O-N 3.24Å; T179-I181 WeakPolarHBondContact OG1-CB 3.32Å; T179-I181 PolarHBondContact OG1-N 3.36Å; T179-R280 VanDerWaalsContact C-CZ 3.5Å; T179-R280 PolarHBondContact O-NH1 3.11Å; T179-H282 WeakPolarHBondContact CA-O 3.44Å
180	G	98.3	Very high	98.3	Very high	37 Å²	37	56.9 Å²	56.9	38%	0.381	32%	0.319	S	S	.	.			trans	77.6	2.4	-173.6	0	0	0	0	0	113.7	V176 R280	V176-G180 WeakPolarHBondContact O-CA 3.37Å; V176-G180 PolarHBondContact O-N 3.43Å; G180-R280 VanDerWaalsContact CA-CZ 3.45Å; G180-R280 VanDerWaalsContact CA-NH2 3.31Å; G180-R280 VanDerWaalsContact N-NH2 3.17Å
181	I	98.7	Very high	98.3	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	30%	0.301	C	S	.	.			trans	-79.9	124.5	177.8	-56.8	172.1	0	0	0	108.1	E125 I141 E142 Y162 L171 T179 T185 V186	E125-I181 HydrophobicContact CB-CD1 3.94Å; E125-I181 HydrophobicContact CG-CD1 4.32Å; I141-I181 HydrophobicContact CD1-CD1 3.96Å; I141-I181 HydrophobicContact CG1-CD1 3.92Å; E142-I181 HydrophobicContact CB-CD1 3.87Å; Y162-I181 HydrophobicContact CD1-CD1 4.15Å; Y162-I181 HydrophobicContact CD1-CG1 4.35Å; Y162-I181 HydrophobicContact CD1-CG2 4.17Å; Y162-I181 HydrophobicContact CE1-CD1 3.98Å; Y162-I181 HydrophobicContact CE1-CG1 3.87Å; Y162-I181 HydrophobicContact CE1-CG2 4.31Å; L171-I181 HydrophobicContact CD1-CG2 4.39Å; T179-I181 PolarHBondContact O-N 3.24Å; T179-I181 WeakPolarHBondContact OG1-CB 3.32Å; T179-I181 PolarHBondContact OG1-N 3.36Å; I181-T185 HydrophobicContact CG2-CG2 4.02Å; I181-V186 HydrophobicContact CG2-CG1 3.71Å
182	T	98.7	Very high	98.3	Very high	59 Å²	59	51.6 Å²	51.6	36%	0.362	30%	0.297	S	S	.	.			trans	-86.1	158.7	-179.1	66.8	0	0	0	0	111.5	E184 T185 V186	T182-E184 VanDerWaalsContact C-N 3.28Å; T182-E184 PolarHBondContact O-N 2.9Å; T182-T185 VanDerWaalsContact O-CB 3.3Å; T182-T185 WeakPolarHBondContact O-CB 3.42Å; T182-T185 PolarHBondContact O-N 3.45Å; T182-T185 PolarHBondContact OG1-N 2.93Å; T182-T185 PolarHBondContact OG1-OG1 2.98Å; T182-V186 PolarHBondContact O-N 3.47Å
183	Q	98.8	Very high	98.3	Very high	41 Å²	41	52.3 Å²	52.3	19%	0.192	30%	0.301	C	S	.	.	H	α-helix	trans	-56.5	-44.1	173.1	-172.3	62.7	52.6	0	0	111.7	P169 T185 V186 D187	P169-Q183 PolarHBondContact O-NE2 3.17Å; Q183-T185 PolarHBondContact O-N 3.24Å; Q183-V186 WeakPolarHBondContact O-CG2 3.38Å; Q183-V186 PolarHBondContact O-N 2.89Å; Q183-V186 VanDerWaalsContact O-N 3.16Å; Q183-D187 PolarHBondContact NE2-OD1 2.93Å; Q183-D187 WeakPolarHBondContact O-CB 3.48Å; Q183-D187 PolarHBondContact O-N 2.97Å
184	E	98.7	Very high	98.4	Very high	162 Å²	162	49.4 Å²	49.4	76%	0.757	29%	0.286	S	S	*	.	H	α-helix	trans	-56.2	-36.8	176.1	-176.6	179.9	-172	0	0	112.4	T182 G188	T182-E184 VanDerWaalsContact C-N 3.28Å; T182-E184 PolarHBondContact O-N 2.9Å; E184-G188 PolarHBondContact O-N 2.69Å
185	T	98.7	Very high	98.4	Very high	44 Å²	44	47.7 Å²	47.7	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-46.3	178.6	-57.9	0	0	0	0	111.5	Y162 I181 T182 Q183 A189	Y162-T185 HydrophobicContact CD1-CG2 3.8Å; Y162-T185 HydrophobicContact CD2-CG2 3.25Å; Y162-T185 HydrophobicContact CE1-CG2 4.1Å; Y162-T185 HydrophobicContact CE2-CG2 3.56Å; Y162-T185 HydrophobicContact CG-CG2 3.37Å; I181-T185 HydrophobicContact CG2-CG2 4.02Å; T182-T185 VanDerWaalsContact O-CB 3.3Å; T182-T185 WeakPolarHBondContact O-CB 3.42Å; T182-T185 PolarHBondContact O-N 3.45Å; T182-T185 PolarHBondContact OG1-N 2.93Å; T182-T185 PolarHBondContact OG1-OG1 2.98Å; Q183-T185 PolarHBondContact O-N 3.24Å; T185-A189 PolarHBondContact O-N 3.27Å
186	V	98.7	Very high	98.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-77	-28.8	179.5	-63.8	0	0	0	0	112.5	I141 K164 L171 I181 T182 Q183 G188 A189	I141-V186 HydrophobicContact CB-CG1 4.04Å; I141-V186 HydrophobicContact CG2-CG1 4.23Å; K164-V186 WeakPolarHBondContact CB-O 3.42Å; K164-V186 WeakPolarHBondContact CG-O 3.49Å; L171-V186 HydrophobicContact CD1-CG1 3.99Å; L171-V186 HydrophobicContact CD1-CG2 3.78Å; L171-V186 HydrophobicContact CD2-CG2 4.3Å; L171-V186 HydrophobicContact CG-CG2 3.89Å; I181-V186 HydrophobicContact CG2-CG1 3.71Å; T182-V186 PolarHBondContact O-N 3.47Å; Q183-V186 WeakPolarHBondContact O-CG2 3.38Å; Q183-V186 PolarHBondContact O-N 2.89Å; Q183-V186 VanDerWaalsContact O-N 3.16Å; V186-G188 VanDerWaalsContact C-N 3.32Å; V186-G188 PolarHBondContact O-N 2.92Å; V186-A189 WeakPolarHBondContact O-CB 3.3Å; V186-A189 PolarHBondContact O-N 3.48Å
187	D	98.6	Very high	98.5	Very high	75 Å²	75	49.3 Å²	49.3	40%	0.401	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-39	177.3	-74.4	-14.2	0	0	0	112.1	K164 Q183	K164-D187 PolarHBondContact NZ-O 3.35Å; Q183-D187 PolarHBondContact NE2-OD1 2.93Å; Q183-D187 WeakPolarHBondContact O-CB 3.48Å; Q183-D187 PolarHBondContact O-N 2.97Å
188	G	98.4	Very high	98.5	Very high	70 Å²	70	45.5 Å²	45.5	72%	0.722	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	0.7	177.2	0	0	0	0	0	115.1	E184 V186	E184-G188 PolarHBondContact O-N 2.69Å; V186-G188 VanDerWaalsContact C-N 3.32Å; V186-G188 PolarHBondContact O-N 2.92Å
189	A	98.8	Very high	98.6	Very high	17 Å²	17	44.1 Å²	44.1	14%	0.14	26%	0.256	C	S	.	.	S	Bend	trans	-82.4	160.8	178.3	0	0	0	0	0	112.5	K164 T185 V186	K164-A189 HydrophobicContact CB-CB 4.24Å; K164-A189 WeakPolarHBondContact CB-O 3.1Å; T185-A189 PolarHBondContact O-N 3.27Å; V186-A189 WeakPolarHBondContact O-CB 3.3Å; V186-A189 PolarHBondContact O-N 3.48Å
190	D	98.8	Very high	98.7	Very high	70 Å²	70	44 Å²	44	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	154.6	172.9	-60.5	-41	0	0	0	111.1	V163 K164 D194 V195 R198	V163-D190 WeakPolarHBondContact CA-O 3.45Å; K164-D190 PolarHBondContact N-O 2.97Å; D190-D194 HydrophobicContact CB-CB 4.06Å; D190-V195 HydrophobicContact CB-CG2 3.93Å; D190-R198 IonicContact OD2-CZ 3.07Å; D190-R198 IonicContact OD2-NE 2.63Å; D190-R198 IonicContact OD2-NH2 3.28Å; D190-R198 PolarHBondContact OD2-NH2 3.25Å
191	P	98.6	Very high	98.7	Very high	39 Å²	39	46.2 Å²	46.2	25%	0.253	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	155.1	167.6	-23.6	34.4	0	0	0	112.9	P193 D194 V195	P191-P193 VanDerWaalsContact C-CD 3.49Å; P191-D194 WeakPolarHBondContact CD-OD2 3.31Å; P191-D194 PolarHBondContact O-N 3.3Å; P191-D194 VanDerWaalsContact O-N 3.13Å; P191-V195 PolarHBondContact O-N 2.9Å
192	F	98.8	Very high	98.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-53.4	-43.3	-177	178.1	-100.3	0	0	0	115.1	I140 F143 V163 D194 V195 L196 L228 Q231 I237	I140-F192 HydrophobicContact CB-CD2 4.41Å; I140-F192 HydrophobicContact CD1-CD2 4.47Å; I140-F192 HydrophobicContact CD1-CE2 3.79Å; I140-F192 HydrophobicContact CD1-CZ 4.41Å; F143-F192 AromaticContact CD2-CE2 3.86Å; F143-F192 HydrophobicContact CD2-CE2 3.86Å; F143-F192 AromaticContact CE2-CE2 3.91Å; F143-F192 HydrophobicContact CE2-CE2 3.91Å; F143-F192 HydrophobicContact CE2-CZ 4.33Å; V163-F192 HydrophobicContact CG1-CB 3.71Å; V163-F192 HydrophobicContact CG1-CD2 4.24Å; V163-F192 HydrophobicContact CG2-CD2 4.41Å; F192-D194 VanDerWaalsContact C-N 3.28Å; F192-D194 PolarHBondContact O-N 2.78Å; F192-V195 PolarHBondContact O-N 3.18Å; F192-L196 HydrophobicContact CE1-CB 4.37Å; F192-L196 HydrophobicContact CE1-CD2 4.06Å; F192-L196 HydrophobicContact CZ-CB 4.39Å; F192-L196 HydrophobicContact CZ-CD2 4.34Å; F192-L196 WeakPolarHBondContact O-CB 3.49Å; F192-L196 PolarHBondContact O-N 2.81Å; F192-L228 HydrophobicContact CE1-CD1 4.44Å; F192-L228 HydrophobicContact CE2-CD1 4.4Å; F192-L228 HydrophobicContact CZ-CD1 3.59Å; F192-Q231 HydrophobicContact CB-CG 3.98Å; F192-Q231 HydrophobicContact CD1-CG 3.42Å; F192-Q231 VanDerWaalsContact CD1-CG 3.42Å; F192-Q231 HydrophobicContact CD2-CG 3.43Å; F192-Q231 VanDerWaalsContact CD2-CG 3.43Å; F192-Q231 HydrophobicContact CE1-CB 4.4Å; F192-Q231 HydrophobicContact CE1-CG 3.63Å; F192-Q231 HydrophobicContact CE2-CB 4.49Å; F192-Q231 HydrophobicContact CE2-CG 3.65Å; F192-Q231 HydrophobicContact CG-CG 3.3Å; F192-Q231 HydrophobicContact CZ-CB 4.38Å; F192-Q231 HydrophobicContact CZ-CG 3.75Å; F192-I237 HydrophobicContact CD1-CD1 4.15Å; F192-I237 HydrophobicContact CE1-CD1 3.74Å
193	P	98.5	Very high	98.7	Very high	48 Å²	48	44 Å²	44	31%	0.312	24%	0.241	S	C	.	.	H	α-helix	trans	-57.7	-38.7	178.8	-27.4	37.3	0	0	0	113.7	P191 L196 H197	P191-P193 VanDerWaalsContact C-CD 3.49Å; P193-L196 PolarHBondContact O-N 3.05Å; P193-H197 PolarHBondContact O-N 3.12Å
194	D	98.6	Very high	98.7	Very high	86 Å²	86	46.6 Å²	46.6	46%	0.46	25%	0.253	S	S	.	.	H	α-helix	trans	-73.2	-39.2	-179.1	-60.2	-45	0	0	0	111	D190 P191 F192 H197 R198	D190-D194 HydrophobicContact CB-CB 4.06Å; P191-D194 WeakPolarHBondContact CD-OD2 3.31Å; P191-D194 PolarHBondContact O-N 3.3Å; P191-D194 VanDerWaalsContact O-N 3.13Å; F192-D194 VanDerWaalsContact C-N 3.28Å; F192-D194 PolarHBondContact O-N 2.78Å; D194-H197 WeakPolarHBondContact O-CB 3.29Å; D194-H197 PolarHBondContact O-N 3.32Å; D194-R198 PolarHBondContact O-N 3.12Å; D194-R198 VanDerWaalsContact O-N 3.11Å
195	V	98.8	Very high	98.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-42.4	172.7	177.7	0	0	0	0	111.2	F143 A161 V163 D190 P191 F192 H197 R198 V199	F143-V195 HydrophobicContact CB-CG1 3.86Å; F143-V195 HydrophobicContact CG-CG1 4.33Å; A161-V195 HydrophobicContact CB-CG1 3.61Å; A161-V195 HydrophobicContact CB-CG2 4.42Å; V163-V195 HydrophobicContact CG2-CB 3.98Å; V163-V195 HydrophobicContact CG2-CG1 3.86Å; V163-V195 HydrophobicContact CG2-CG2 3.91Å; D190-V195 HydrophobicContact CB-CG2 3.93Å; P191-V195 PolarHBondContact O-N 2.9Å; F192-V195 PolarHBondContact O-N 3.18Å; V195-H197 VanDerWaalsContact C-N 3.26Å; V195-H197 PolarHBondContact O-N 2.94Å; V195-R198 PolarHBondContact O-N 3.4Å; V195-V199 WeakPolarHBondContact O-CG2 3.45Å; V195-V199 PolarHBondContact O-N 3.06Å
196	L	98.8	Very high	98.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-35.6	175.3	-178.9	62	0	0	0	111.6	F143 F192 P193 V199 V200 I237 F242 P334	F143-L196 HydrophobicContact CE2-CD1 4.38Å; F143-L196 HydrophobicContact CZ-CD1 4.48Å; F192-L196 HydrophobicContact CE1-CB 4.37Å; F192-L196 HydrophobicContact CE1-CD2 4.06Å; F192-L196 HydrophobicContact CZ-CB 4.39Å; F192-L196 HydrophobicContact CZ-CD2 4.34Å; F192-L196 WeakPolarHBondContact O-CB 3.49Å; F192-L196 PolarHBondContact O-N 2.81Å; P193-L196 PolarHBondContact O-N 3.05Å; L196-V199 WeakPolarHBondContact O-CB 3.4Å; L196-V199 PolarHBondContact O-N 3.37Å; L196-V200 WeakPolarHBondContact O-CG2 3.49Å; L196-V200 PolarHBondContact O-N 3.04Å; L196-I237 HydrophobicContact CD2-CD1 3.57Å; L196-F242 HydrophobicContact CD1-CZ 4.33Å; L196-P334 HydrophobicContact CD2-CG 3.79Å
197	H	98.6	Very high	98.6	Very high	79 Å²	79	49.6 Å²	49.6	37%	0.366	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-51.1	173.4	-170.7	-81.5	0	0	0	111.7	P193 D194 V195 V199 V200 E201 N333	P193-H197 PolarHBondContact O-N 3.12Å; D194-H197 WeakPolarHBondContact O-CB 3.29Å; D194-H197 PolarHBondContact O-N 3.32Å; V195-H197 VanDerWaalsContact C-N 3.26Å; V195-H197 PolarHBondContact O-N 2.94Å; H197-V199 VanDerWaalsContact C-N 3.27Å; H197-V199 PolarHBondContact O-N 2.84Å; H197-V200 PolarHBondContact O-N 2.86Å; H197-V200 VanDerWaalsContact O-N 3.08Å; H197-E201 IonicContact CE1-OE1 3.67Å; H197-E201 PolarHBondContact CE1-OE1 2.5Å; H197-E201 IonicContact CE1-OE2 3.11Å; H197-E201 VanDerWaalsContact ND1-CD 3.27Å; H197-E201 IonicContact ND1-OE1 2.78Å; H197-E201 IonicContact ND1-OE2 2.9Å; H197-E201 PolarHBondContact ND1-OE2 3.44Å; H197-E201 VanDerWaalsContact ND1-OE2 3.13Å; H197-E201 PolarHBondContact O-N 3.38Å; H197-N333 WeakPolarHBondContact CA-OD1 3.29Å; H197-N333 PolarHBondContact CD2-ND2 2.97Å; H197-N333 PolarHBondContact NE2-ND2 3.2Å
198	R	98.8	Very high	98.6	Very high	89 Å²	89	46.1 Å²	46.1	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-36.1	177.4	-68.1	-168.7	-74.8	137.6	-12.9	112.4	F159 D190 D194 V195 E201 W202	F159-R198 HydrophobicContact CE2-CB 4.26Å; F159-R198 HydrophobicContact CZ-CB 4.11Å; D190-R198 IonicContact OD2-CZ 3.07Å; D190-R198 IonicContact OD2-NE 2.63Å; D190-R198 IonicContact OD2-NH2 3.28Å; D190-R198 PolarHBondContact OD2-NH2 3.25Å; D194-R198 PolarHBondContact O-N 3.12Å; D194-R198 VanDerWaalsContact O-N 3.11Å; V195-R198 PolarHBondContact O-N 3.4Å; R198-E201 PolarHBondContact O-N 2.74Å; R198-W202 VanDerWaalsContact O-CB 3.27Å; R198-W202 WeakPolarHBondContact O-CB 3.5Å; R198-W202 PolarHBondContact O-N 3.22Å
199	V	98.8	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-46.3	172.5	162.4	0	0	0	0	111.3	F143 M145 F159 V195 L196 H197 W202 L203	F143-V199 HydrophobicContact CD1-CG2 3.47Å; F143-V199 VanDerWaalsContact CD1-CG2 3.47Å; F143-V199 HydrophobicContact CD2-CG2 4.5Å; F143-V199 HydrophobicContact CE1-CB 4.22Å; F143-V199 HydrophobicContact CE1-CG1 3.78Å; F143-V199 HydrophobicContact CE1-CG2 3.48Å; F143-V199 VanDerWaalsContact CE1-CG2 3.48Å; F143-V199 HydrophobicContact CG-CG2 4.03Å; F143-V199 HydrophobicContact CZ-CB 4.47Å; F143-V199 HydrophobicContact CZ-CG1 3.99Å; F143-V199 HydrophobicContact CZ-CG2 4.03Å; M145-V199 HydrophobicContact CE-CG1 4.25Å; M145-V199 HydrophobicContact SD-CB 4.48Å; M145-V199 HydrophobicContact SD-CG1 3.54Å; M145-V199 VanDerWaalsContact SD-CG1 3.54Å; M145-V199 HydrophobicContact SD-CG2 4.42Å; F159-V199 HydrophobicContact CD1-CG2 3.99Å; F159-V199 HydrophobicContact CE1-CG2 3.45Å; F159-V199 VanDerWaalsContact CE1-CG2 3.45Å; F159-V199 HydrophobicContact CZ-CG2 3.95Å; V195-V199 WeakPolarHBondContact O-CG2 3.45Å; V195-V199 PolarHBondContact O-N 3.06Å; L196-V199 WeakPolarHBondContact O-CB 3.4Å; L196-V199 PolarHBondContact O-N 3.37Å; H197-V199 VanDerWaalsContact C-N 3.27Å; H197-V199 PolarHBondContact O-N 2.84Å; V199-W202 PolarHBondContact O-N 3.47Å; V199-L203 HydrophobicContact CG1-CD1 4.08Å; V199-L203 VanDerWaalsContact O-CG 3.29Å; V199-L203 WeakPolarHBondContact O-CG 3.37Å; V199-L203 PolarHBondContact O-N 3.41Å
200	V	98.8	Very high	98.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-45.4	178.5	168	0	0	0	0	110.7	L196 H197 L203 Q204 F242 P331 N333	L196-V200 WeakPolarHBondContact O-CG2 3.49Å; L196-V200 PolarHBondContact O-N 3.04Å; H197-V200 PolarHBondContact O-N 2.86Å; H197-V200 VanDerWaalsContact O-N 3.08Å; V200-L203 PolarHBondContact O-N 3.24Å; V200-Q204 HydrophobicContact CG1-CG 4.33Å; V200-Q204 WeakPolarHBondContact O-CB 2.96Å; V200-Q204 VanDerWaalsContact O-CG 3.27Å; V200-Q204 WeakPolarHBondContact O-CG 3.43Å; V200-Q204 PolarHBondContact O-N 3.39Å; V200-F242 HydrophobicContact CG2-CE1 3.87Å; V200-F242 HydrophobicContact CG2-CZ 4.29Å; V200-P331 HydrophobicContact CG1-CB 4.4Å; V200-N333 WeakPolarHBondContact CG2-OD1 3.02Å
201	E	98.7	Very high	98.4	Very high	83 Å²	83	50.4 Å²	50.4	39%	0.388	25%	0.251	S	S	.	.	H	α-helix	trans	-58.6	-48.5	175.5	-71.8	177.1	136.4	0	0	111.3	H197 R198 L203 Q204 E205	H197-E201 IonicContact CE1-OE1 3.67Å; H197-E201 PolarHBondContact CE1-OE1 2.5Å; H197-E201 IonicContact CE1-OE2 3.11Å; H197-E201 VanDerWaalsContact ND1-CD 3.27Å; H197-E201 IonicContact ND1-OE1 2.78Å; H197-E201 IonicContact ND1-OE2 2.9Å; H197-E201 PolarHBondContact ND1-OE2 3.44Å; H197-E201 VanDerWaalsContact ND1-OE2 3.13Å; H197-E201 PolarHBondContact O-N 3.38Å; R198-E201 PolarHBondContact O-N 2.74Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.2Å; E201-Q204 PolarHBondContact O-N 2.91Å; E201-E205 WeakPolarHBondContact O-CG 3.4Å; E201-E205 PolarHBondContact O-N 3.08Å
202	W	98.8	Very high	98.4	Very high	17 Å²	17	51.9 Å²	51.9	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-56.3	-43.9	176.8	-176.3	92.6	0	0	0	111.7	M145 L147 D157 F159 R198 V199 Q204 R206	M145-W202 HydrophobicContact CB-CH2 4.06Å; M145-W202 HydrophobicContact CB-CZ3 3.91Å; M145-W202 HydrophobicContact SD-CE3 3.95Å; M145-W202 HydrophobicContact SD-CZ3 3.88Å; L147-W202 HydrophobicContact CB-CH2 3.87Å; D157-W202 HydrophobicContact CB-CZ2 3.85Å; F159-W202 HydrophobicContact CB-CD2 3.9Å; F159-W202 HydrophobicContact CB-CE3 4.44Å; F159-W202 HydrophobicContact CB-CG 4.17Å; F159-W202 HydrophobicContact CB-CZ2 4.01Å; F159-W202 HydrophobicContact CD2-CB 4.21Å; F159-W202 AromaticContact CD2-CD1 3.76Å; F159-W202 AromaticContact CD2-CG 3.93Å; F159-W202 HydrophobicContact CD2-CG 3.93Å; F159-W202 HydrophobicContact CG-CD2 4.48Å; F159-W202 HydrophobicContact CG-CG 4.33Å; R198-W202 VanDerWaalsContact O-CB 3.27Å; R198-W202 WeakPolarHBondContact O-CB 3.5Å; R198-W202 PolarHBondContact O-N 3.22Å; V199-W202 PolarHBondContact O-N 3.47Å; W202-Q204 PolarHBondContact O-N 3.23Å; W202-R206 VanDerWaalsContact CD1-NH2 3.28Å; W202-R206 VanDerWaalsContact O-CD 3.27Å; W202-R206 WeakPolarHBondContact O-CD 3.33Å; W202-R206 PolarHBondContact O-NH1 3.1Å
203	L	98.7	Very high	98.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-34.8	176.2	-63.3	167.4	0	0	0	112.7	M145 V199 V200 E201 R206 L208 F242 P331	M145-L203 HydrophobicContact CE-CD1 4.23Å; M145-L203 HydrophobicContact CE-CD2 4.03Å; M145-L203 HydrophobicContact CE-CG 4.48Å; M145-L203 HydrophobicContact SD-CD1 4.41Å; M145-L203 HydrophobicContact SD-CD2 4.05Å; M145-L203 HydrophobicContact SD-CG 4.23Å; V199-L203 HydrophobicContact CG1-CD1 4.08Å; V199-L203 VanDerWaalsContact O-CG 3.29Å; V199-L203 WeakPolarHBondContact O-CG 3.37Å; V199-L203 PolarHBondContact O-N 3.41Å; V200-L203 PolarHBondContact O-N 3.24Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.2Å; L203-R206 PolarHBondContact O-N 3.28Å; L203-L208 HydrophobicContact CB-CD1 4.42Å; L203-L208 HydrophobicContact CD2-CD1 3.62Å; L203-L208 PolarHBondContact O-N 3.46Å; L203-F242 HydrophobicContact CD1-CD2 4.27Å; L203-F242 HydrophobicContact CD1-CE2 3.89Å; L203-F242 HydrophobicContact CD1-CZ 4.2Å; L203-P331 HydrophobicContact CB-CB 4.01Å; L203-P331 HydrophobicContact CB-CG 3.55Å; L203-P331 HydrophobicContact CD1-CB 3.89Å; L203-P331 HydrophobicContact CD1-CG 4.34Å
204	Q	98.6	Very high	98.3	Very high	95 Å²	95	51.5 Å²	51.5	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-71.3	-41.3	179.3	-73.8	177.2	-7.9	0	0	112.9	V200 E201 W202 R206 E207 P331	V200-Q204 HydrophobicContact CG1-CG 4.33Å; V200-Q204 WeakPolarHBondContact O-CB 2.96Å; V200-Q204 VanDerWaalsContact O-CG 3.27Å; V200-Q204 WeakPolarHBondContact O-CG 3.43Å; V200-Q204 PolarHBondContact O-N 3.39Å; E201-Q204 PolarHBondContact O-N 2.91Å; W202-Q204 PolarHBondContact O-N 3.23Å; Q204-R206 PolarHBondContact O-N 3.49Å; Q204-R206 VanDerWaalsContact O-N 3.13Å; Q204-E207 WeakPolarHBondContact O-CA 3.33Å; Q204-E207 PolarHBondContact O-N 3.08Å; Q204-P331 HydrophobicContact CG-CG 3.9Å; Q204-P331 PolarHBondContact NE2-O 3.43Å
205	E	98.5	Very high	98.3	Very high	139 Å²	139	47.5 Å²	47.5	65%	0.65	22%	0.224	S	C	*	.	H	α-helix	trans	-55.9	-28.1	174.3	-73.8	172.7	170.3	0	0	112.4	E201 E207	E201-E205 WeakPolarHBondContact O-CG 3.4Å; E201-E205 PolarHBondContact O-N 3.08Å; E205-E207 VanDerWaalsContact C-N 3.31Å
206	R	98.5	Very high	98.3	Very high	52 Å²	52	47.6 Å²	47.6	20%	0.196	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	7.8	177.9	-69.6	151.8	-171.3	70.7	7.8	113.1	L147 D157 W202 L203 Q204 L208 Y212	L147-R206 HydrophobicContact CD2-CG 4.36Å; D157-R206 IonicContact OD1-NH2 3.58Å; D157-R206 IonicContact OD2-CZ 3.54Å; D157-R206 IonicContact OD2-NE 3.44Å; D157-R206 PolarHBondContact OD2-NE 2.94Å; D157-R206 IonicContact OD2-NH2 2.73Å; D157-R206 PolarHBondContact OD2-NH2 3Å; W202-R206 VanDerWaalsContact CD1-NH2 3.28Å; W202-R206 VanDerWaalsContact O-CD 3.27Å; W202-R206 WeakPolarHBondContact O-CD 3.33Å; W202-R206 PolarHBondContact O-NH1 3.1Å; L203-R206 PolarHBondContact O-N 3.28Å; Q204-R206 PolarHBondContact O-N 3.49Å; Q204-R206 VanDerWaalsContact O-N 3.13Å; R206-L208 HydrophobicContact CB-CD1 4.44Å; R206-L208 HydrophobicContact CB-CD2 4.39Å; R206-L208 HydrophobicContact CB-CG 3.97Å; R206-L208 PolarHBondContact O-N 2.84Å; R206-Y212 WeakPolarHBondContact O-CD2 3.17Å
207	E	98.4	Very high	98.4	Very high	79 Å²	79	47.5 Å²	47.5	37%	0.369	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	31.3	177.2	-48.2	-179.8	84.4	0	0	113.5	Q204 E205 T210 K211 Y212	Q204-E207 WeakPolarHBondContact O-CA 3.33Å; Q204-E207 PolarHBondContact O-N 3.08Å; E205-E207 VanDerWaalsContact C-N 3.31Å; E207-T210 PolarHBondContact O-N 2.65Å; E207-T210 PolarHBondContact O-OG1 3.26Å; E207-T210 VanDerWaalsContact O-OG1 3.1Å; E207-K211 HydrophobicContact CB-CB 3.69Å; E207-K211 HydrophobicContact CB-CD 4.29Å; E207-K211 HydrophobicContact CG-CD 4.48Å; E207-K211 PolarHBondContact O-N 3.24Å; E207-K211 VanDerWaalsContact OE1-CD 3.27Å; E207-K211 WeakPolarHBondContact OE1-CD 3.39Å; E207-K211 IonicContact OE1-NZ 3.13Å; E207-K211 WeakPolarHBondContact OE2-CD 3.23Å; E207-K211 IonicContact OE2-NZ 3.73Å; E207-K211 PolarHBondContact OE2-NZ 3.35Å; E207-Y212 HydrophobicContact CB-CD2 4.04Å; E207-Y212 HydrophobicContact CB-CE2 4.22Å; E207-Y212 PolarHBondContact O-N 2.86Å; E207-Y212 VanDerWaalsContact O-N 3.1Å
208	L	98.4	Very high	98.4	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-75.1	128.3	-177	-60	-174.4	0	0	0	111.5	Y118 L147 L203 R206 T210 Y214 P331	Y118-L208 HydrophobicContact CD2-CD2 3.8Å; Y118-L208 HydrophobicContact CG-CD2 4Å; L147-L208 HydrophobicContact CD1-CD1 3.98Å; L203-L208 HydrophobicContact CB-CD1 4.42Å; L203-L208 HydrophobicContact CD2-CD1 3.62Å; L203-L208 PolarHBondContact O-N 3.46Å; R206-L208 HydrophobicContact CB-CD1 4.44Å; R206-L208 HydrophobicContact CB-CD2 4.39Å; R206-L208 HydrophobicContact CB-CG 3.97Å; R206-L208 PolarHBondContact O-N 2.84Å; L208-T210 PolarHBondContact O-N 2.91Å; L208-Y214 HydrophobicContact CB-CD1 3.76Å; L208-Y214 HydrophobicContact CB-CD2 4.32Å; L208-Y214 HydrophobicContact CB-CE1 3.93Å; L208-Y214 HydrophobicContact CB-CE2 4.46Å; L208-Y214 HydrophobicContact CB-CG 3.95Å; L208-Y214 HydrophobicContact CD1-CD2 4.13Å; L208-Y214 HydrophobicContact CD1-CE2 4.5Å; L208-Y214 HydrophobicContact CD1-CG 4.34Å; L208-P331 WeakPolarHBondContact O-CD 3.44Å
209	G	97.1	Very high	98.3	Very high	24 Å²	24	40.1 Å²	40.1	25%	0.247	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-12.6	-176.7	0	0	0	0	0	114.1	Y212 P330	G209-Y212 PolarHBondContact N-O 3.39Å; G209-P330 WeakPolarHBondContact O-CG 3.11Å
210	T	96.8	Very high	98.3	Very high	105 Å²	105	40.4 Å²	40.4	64%	0.644	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-66.6	173.8	53.3	0	0	0	0	111	E207 L208 P330	E207-T210 PolarHBondContact O-N 2.65Å; E207-T210 PolarHBondContact O-OG1 3.26Å; E207-T210 VanDerWaalsContact O-OG1 3.1Å; L208-T210 PolarHBondContact O-N 2.91Å; T210-P330 HydrophobicContact CG2-CB 4.13Å; T210-P330 HydrophobicContact CG2-CG 4.1Å
211	K	97.4	Very high	98.2	Very high	118 Å²	118	40.9 Å²	40.9	51%	0.513	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-39.7	178.2	-177.9	178.2	173	-178.4	0	112	E207	E207-K211 HydrophobicContact CB-CB 3.69Å; E207-K211 HydrophobicContact CB-CD 4.29Å; E207-K211 HydrophobicContact CG-CD 4.48Å; E207-K211 PolarHBondContact O-N 3.24Å; E207-K211 VanDerWaalsContact OE1-CD 3.27Å; E207-K211 WeakPolarHBondContact OE1-CD 3.39Å; E207-K211 IonicContact OE1-NZ 3.13Å; E207-K211 WeakPolarHBondContact OE2-CD 3.23Å; E207-K211 IonicContact OE2-NZ 3.73Å; E207-K211 PolarHBondContact OE2-NZ 3.35Å
212	Y	97.9	Very high	98.1	Very high	69 Å²	69	39 Å²	39	27%	0.271	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-113.2	133.4	-175	-57.8	-68.6	0	0	0	112	D117 Y118 R206 E207 G209	D117-Y212 HydrophobicContact CB-CD1 4.18Å; Y118-Y212 HydrophobicContact CD2-CD1 4.44Å; Y118-Y212 HydrophobicContact CD2-CD2 4.43Å; Y118-Y212 AromaticContact CD2-CG 3.97Å; Y118-Y212 HydrophobicContact CD2-CG 3.97Å; Y118-Y212 AromaticContact CE2-CD1 3.82Å; Y118-Y212 HydrophobicContact CE2-CD1 3.82Å; Y118-Y212 AromaticContact CE2-CD2 3.85Å; Y118-Y212 HydrophobicContact CE2-CD2 3.85Å; Y118-Y212 HydrophobicContact CE2-CE1 4.28Å; Y118-Y212 HydrophobicContact CE2-CE2 4.3Å; Y118-Y212 AromaticContact CE2-CG 3.57Å; Y118-Y212 HydrophobicContact CE2-CG 3.57Å; R206-Y212 WeakPolarHBondContact O-CD2 3.17Å; E207-Y212 HydrophobicContact CB-CD2 4.04Å; E207-Y212 HydrophobicContact CB-CE2 4.22Å; E207-Y212 PolarHBondContact O-N 2.86Å; E207-Y212 VanDerWaalsContact O-N 3.1Å; G209-Y212 PolarHBondContact N-O 3.39Å
213	K	97.9	Very high	98.1	Very high	43 Å²	43	38.4 Å²	38.4	19%	0.187	19%	0.188	C	C	.	.			trans	-76	130.6	174.7	-165.6	-178.8	-175.9	172	0	108.8	D113 T114 Y116 D117 Y118 V325	D113-K213 IonicContact OD1-NZ 3.34Å; T114-K213 WeakPolarHBondContact O-CD 3.14Å; T114-K213 WeakPolarHBondContact O-CE 3.21Å; T114-K213 PolarHBondContact O-NZ 2.87Å; Y116-K213 CarbonylContact C-O 3.54Å; Y116-K213 HydrophobicContact CD1-CD 4.45Å; Y116-K213 HydrophobicContact CD1-CG 4.17Å; D117-K213 PolarHBondContact N-O 3.22Å; D117-K213 PolarHBondContact OD2-N 3.22Å; Y118-K213 PolarHBondContact N-O 3.1Å; K213-V325 WeakPolarHBondContact CE-O 3.15Å; K213-V325 PolarHBondContact NZ-O 2.85Å
214	Y	98.7	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	166.9	-177.9	82.7	-69.3	0	0	0	113.5	Y118 C120 L208 M216 F242 G327 A328 P329	Y118-Y214 WeakPolarHBondContact O-CA 3.39Å; Y118-Y214 WeakPolarHBondContact O-CB 3.44Å; C120-Y214 HydrophobicContact CB-CD2 4.47Å; L208-Y214 HydrophobicContact CB-CD1 3.76Å; L208-Y214 HydrophobicContact CB-CD2 4.32Å; L208-Y214 HydrophobicContact CB-CE1 3.93Å; L208-Y214 HydrophobicContact CB-CE2 4.46Å; L208-Y214 HydrophobicContact CB-CG 3.95Å; L208-Y214 HydrophobicContact CD1-CD2 4.13Å; L208-Y214 HydrophobicContact CD1-CE2 4.5Å; L208-Y214 HydrophobicContact CD1-CG 4.34Å; Y214-M216 HydrophobicContact CE2-SD 3.93Å; Y214-F242 WeakPolarHBondContact OH-CB 3.36Å; Y214-G327 CarbonylContact O-C 3.42Å; Y214-G327 VanDerWaalsContact O-CA 3.3Å; Y214-G327 WeakPolarHBondContact O-CA 3.37Å; Y214-A328 HydrophobicContact CD1-CB 4.13Å; Y214-A328 HydrophobicContact CD2-CB 4.32Å; Y214-A328 HydrophobicContact CE1-CB 3.62Å; Y214-A328 WeakPolarHBondContact CE1-O 3.02Å; Y214-A328 HydrophobicContact CE2-CB 3.85Å; Y214-A328 HydrophobicContact CG-CB 4.46Å; Y214-A328 VanDerWaalsContact CZ-CB 3.49Å; Y214-A328 PolarHBondContact O-N 2.93Å; Y214-P329 PolarHBondContact OH-O 2.88Å; Y214-P329 VanDerWaalsContact OH-O 3.12Å
215	A	98.6	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147	171.9	0	0	0	0	0	111.6	Y116 Y118 I119 C120 I247 V307	Y116-A215 HydrophobicContact CD1-CB 3.93Å; Y116-A215 HydrophobicContact CD2-CB 3.93Å; Y116-A215 HydrophobicContact CE1-CB 3.82Å; Y116-A215 HydrophobicContact CE2-CB 3.78Å; Y116-A215 HydrophobicContact CG-CB 4Å; Y118-A215 PolarHBondContact O-N 2.92Å; I119-A215 WeakPolarHBondContact CA-O 3.15Å; C120-A215 PolarHBondContact N-O 3.36Å; A215-I247 HydrophobicContact CB-CD1 3.83Å; A215-I247 HydrophobicContact CB-CG1 4.24Å; A215-V307 HydrophobicContact CB-CG2 4.4Å
216	M	98.8	Very high	98	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	144.9	168.4	-60.4	-52.5	-59.8	0	0	110.5	C120 V122 M145 Y214 M224 F242 W246 I247	C120-M216 HydrophobicContact CB-CE 4.26Å; C120-M216 HydrophobicContact CB-SD 3.94Å; C120-M216 CarbonylContact O-C 3.5Å; C120-M216 WeakPolarHBondContact O-CA 3.29Å; V122-M216 HydrophobicContact CB-CE 4.5Å; V122-M216 HydrophobicContact CG2-CE 3.46Å; V122-M216 VanDerWaalsContact CG2-CE 3.46Å; M145-M216 HydrophobicContact CE-CE 3.54Å; M145-M216 HydrophobicContact CE-SD 4.44Å; Y214-M216 HydrophobicContact CE2-SD 3.93Å; M216-M224 HydrophobicContact CB-CE 4.43Å; M216-M224 HydrophobicContact CE-CE 3.97Å; M216-F242 HydrophobicContact SD-CD2 4.28Å; M216-W246 HydrophobicContact CB-CB 3.91Å; M216-W246 CarbonylContact O-C 3.58Å; M216-W246 WeakPolarHBondContact O-CA 3.19Å; M216-I247 WeakPolarHBondContact O-CG1 3.44Å; M216-I247 PolarHBondContact O-N 3.32Å
217	L	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.8	177.2	-177.1	154.1	0	0	0	110.9	I119 C120 V121 V122 I247 I249 I291 A295 L305	I119-L217 HydrophobicContact CG2-CB 3.57Å; I119-L217 HydrophobicContact CG2-CD1 3.8Å; I119-L217 HydrophobicContact CG2-CG 4.31Å; C120-L217 PolarHBondContact O-N 3.41Å; V121-L217 CarbonylContact C-O 3.54Å; V121-L217 VanDerWaalsContact CA-O 3.31Å; V121-L217 WeakPolarHBondContact CA-O 3.39Å; V121-L217 HydrophobicContact CB-CD2 4.42Å; V121-L217 HydrophobicContact CG1-CD2 3.91Å; V121-L217 HydrophobicContact CG2-CB 4.41Å; V121-L217 HydrophobicContact CG2-CD2 3.99Å; V122-L217 PolarHBondContact N-O 2.97Å; L217-I247 VanDerWaalsContact CA-O 3.29Å; L217-I247 WeakPolarHBondContact CA-O 3.32Å; L217-I247 HydrophobicContact CB-CB 4.04Å; L217-I247 HydrophobicContact CD1-CB 4.11Å; L217-I247 HydrophobicContact CD1-CD1 4.43Å; L217-I247 HydrophobicContact CD1-CG2 3.91Å; L217-I247 HydrophobicContact CG-CB 4Å; L217-I247 HydrophobicContact CG-CG2 4.17Å; L217-I249 HydrophobicContact CD1-CB 4.37Å; L217-I249 HydrophobicContact CD1-CD1 4.26Å; L217-I249 HydrophobicContact CD1-CG1 4.45Å; L217-I249 HydrophobicContact CD2-CB 3.99Å; L217-I249 HydrophobicContact CD2-CD1 4.16Å; L217-I249 HydrophobicContact CD2-CG2 4.37Å; L217-I249 HydrophobicContact CG-CB 4.28Å; L217-I291 HydrophobicContact CD2-CG2 3.35Å; L217-A295 HydrophobicContact CD1-CB 4.12Å; L217-L305 HydrophobicContact CD1-CD1 4.1Å
218	T	98.9	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.6	-178.1	57.3	0	0	0	0	111.9	V122 G220 D223 M224 I247 I249	V122-T218 HydrophobicContact CB-CG2 4.5Å; T218-G220 VanDerWaalsContact C-N 3.29Å; T218-G220 PolarHBondContact O-N 3.23Å; T218-G220 VanDerWaalsContact O-N 3.12Å; T218-G220 PolarHBondContact OG1-O 3.28Å; T218-D223 HydrophobicContact CG2-CB 3.81Å; T218-M224 HydrophobicContact CG2-CE 3.54Å; T218-M224 HydrophobicContact CG2-CG 3.93Å; T218-I247 PolarHBondContact N-O 2.9Å; T218-I249 WeakPolarHBondContact O-CG2 3.4Å; T218-I249 PolarHBondContact O-N 3.44Å
219	D	98.4	Very high	97.9	Very high	14 Å²	14	25.4 Å²	25.4	8%	0.075	13%	0.132	C	C	.	.	S	Bend	trans	-85.1	65.2	174.3	-172.4	34.3	0	0	0	113	I249 R250 M269 I291	D219-I249 HydrophobicContact CB-CG2 4.47Å; D219-R250 PolarHBondContact O-NE 3.23Å; D219-R250 WeakPolarHBondContact OD1-CD 3.44Å; D219-R250 WeakPolarHBondContact OD1-CG 3.29Å; D219-R250 IonicContact OD1-CZ 2.77Å; D219-R250 IonicContact OD1-NE 2.63Å; D219-R250 PolarHBondContact OD1-NE 3.26Å; D219-R250 IonicContact OD1-NH2 3.47Å; D219-R250 IonicContact OD2-CZ 3.84Å; D219-R250 IonicContact OD2-NE 3.66Å; D219-R250 PolarHBondContact OD2-NE 3.19Å; D219-R250 IonicContact OD2-NH2 3.57Å; D219-R250 PolarHBondContact OD2-NH2 3.07Å; D219-M269 WeakPolarHBondContact OD1-CE 3.43Å; D219-I291 HydrophobicContact CB-CD1 3.5Å; D219-I291 HydrophobicContact CB-CG1 3.93Å
220	G	97.4	Very high	97.9	Very high	5 Å²	5	25.8 Å²	25.8	5%	0.052	13%	0.128	C	C	.	.	S	Bend	trans	118	-168.2	-174.8	0	0	0	0	0	111.3	T218 N248	T218-G220 VanDerWaalsContact C-N 3.29Å; T218-G220 PolarHBondContact O-N 3.23Å; T218-G220 VanDerWaalsContact O-N 3.12Å; T218-G220 PolarHBondContact OG1-O 3.28Å; G220-N248 VanDerWaalsContact C-ND2 3.28Å; G220-N248 WeakPolarHBondContact CA-ND2 2.92Å
221	A	97.2	Very high	98	Very high	11 Å²	11	21 Å²	21	9%	0.091	10%	0.098	C	C	.	.	S	Bend	trans	-93.2	-17.3	-176.5	0	0	0	0	0	113.3	M224 S225 W246 N248 E309 L316	A221-M224 PolarHBondContact O-N 2.96Å; A221-S225 VanDerWaalsContact O-CB 3.29Å; A221-S225 WeakPolarHBondContact O-CB 3.38Å; A221-S225 PolarHBondContact O-N 3.07Å; A221-S225 PolarHBondContact O-OG 2.96Å; A221-W246 HydrophobicContact CB-CZ2 4.45Å; A221-N248 PolarHBondContact N-ND2 3.5Å; A221-E309 WeakPolarHBondContact CA-OE2 3.27Å; A221-E309 VanDerWaalsContact CB-OE2 3.22Å; A221-E309 WeakPolarHBondContact CB-OE2 3.41Å; A221-L316 HydrophobicContact CB-CD1 4.2Å; A221-L316 HydrophobicContact CB-CD2 3.53Å
222	W	97.3	Very high	98	Very high	44 Å²	44	15.6 Å²	15.6	17%	0.167	8%	0.075	C	C	.	.	H	α-helix	trans	-75.6	-35.9	-157	-80.7	15.6	0	0	0	115	I8 Q9 M224 K226 F227	I8-W222 HydrophobicContact CB-CH2 3.19Å; I8-W222 HydrophobicContact CB-CZ2 4.45Å; I8-W222 HydrophobicContact CB-CZ3 3.28Å; I8-W222 HydrophobicContact CD1-CZ3 4.13Å; I8-W222 HydrophobicContact CG1-CH2 4.42Å; I8-W222 HydrophobicContact CG1-CZ3 4.08Å; I8-W222 HydrophobicContact CG2-CH2 3.18Å; I8-W222 HydrophobicContact CG2-CZ2 4.43Å; I8-W222 HydrophobicContact CG2-CZ3 3.39Å; I8-W222 WeakPolarHBondContact O-CH2 3.24Å; I8-W222 WeakPolarHBondContact O-CZ2 3.43Å; Q9-W222 VanDerWaalsContact CA-CZ2 3.4Å; Q9-W222 HydrophobicContact CB-CH2 4.4Å; Q9-W222 HydrophobicContact CB-CZ2 4.04Å; Q9-W222 HydrophobicContact CG-CD2 3.81Å; Q9-W222 HydrophobicContact CG-CE3 3.99Å; Q9-W222 HydrophobicContact CG-CH2 3.88Å; Q9-W222 HydrophobicContact CG-CZ2 3.59Å; Q9-W222 HydrophobicContact CG-CZ3 4.05Å; Q9-W222 VanDerWaalsContact N-CH2 3.3Å; W222-M224 PolarHBondContact O-N 3.24Å; W222-K226 HydrophobicContact CB-CB 4.47Å; W222-K226 HydrophobicContact CD2-CD 4.38Å; W222-K226 HydrophobicContact CE3-CD 4.35Å; W222-K226 HydrophobicContact CH2-CD 4.11Å; W222-K226 HydrophobicContact CZ2-CD 4.32Å; W222-K226 HydrophobicContact CZ3-CD 4.18Å; W222-K226 CarbonylContact O-C 3.36Å; W222-K226 WeakPolarHBondContact O-CA 3.27Å; W222-K226 WeakPolarHBondContact O-CB 3.29Å; W222-K226 PolarHBondContact O-N 2.88Å; W222-F227 HydrophobicContact CB-CE2 4.35Å; W222-F227 HydrophobicContact CE3-CZ 4.27Å; W222-F227 PolarHBondContact O-N 3.35Å
223	D	98.5	Very high	97.9	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	9%	0.086	C	C	.	.	I	π-helix	trans	-49.4	-50.8	174.5	-61.6	-72	0	0	0	111.3	F124 T218 L228	F124-D223 HydrophobicContact CD2-CB 3.72Å; F124-D223 HydrophobicContact CE2-CB 4.03Å; F124-D223 WeakPolarHBondContact CE2-O 3.48Å; F124-D223 PolarHBondContact N-OD1 2.77Å; T218-D223 HydrophobicContact CG2-CB 3.81Å; D223-L228 VanDerWaalsContact O-CB 3.23Å; D223-L228 WeakPolarHBondContact O-CB 3.4Å; D223-L228 PolarHBondContact O-N 2.66Å
224	M	98.1	Very high	97.8	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.015	9%	0.086	C	C	.	.	I	π-helix	trans	-86.8	-40.6	-175.2	-59.9	-60	169.7	0	0	112.3	V122 M216 T218 A221 W222 L228 Y239 A243 W246	V122-M224 HydrophobicContact CB-CE 4.18Å; V122-M224 HydrophobicContact CG1-CE 4.44Å; V122-M224 HydrophobicContact CG2-CE 4.45Å; M216-M224 HydrophobicContact CB-CE 4.43Å; M216-M224 HydrophobicContact CE-CE 3.97Å; T218-M224 HydrophobicContact CG2-CE 3.54Å; T218-M224 HydrophobicContact CG2-CG 3.93Å; A221-M224 PolarHBondContact O-N 2.96Å; W222-M224 PolarHBondContact O-N 3.24Å; M224-L228 HydrophobicContact SD-CD2 3.77Å; M224-Y239 WeakPolarHBondContact CB-OH 3.27Å; M224-Y239 WeakPolarHBondContact O-CE2 3.42Å; M224-Y239 PolarHBondContact O-OH 3.46Å; M224-A243 HydrophobicContact SD-CB 3.92Å; M224-W246 HydrophobicContact CB-CD2 3.65Å; M224-W246 HydrophobicContact CB-CE3 3.5Å; M224-W246 HydrophobicContact CB-CG 4.43Å; M224-W246 HydrophobicContact CB-CH2 3.67Å; M224-W246 HydrophobicContact CB-CZ2 3.78Å; M224-W246 HydrophobicContact CB-CZ3 3.52Å; M224-W246 HydrophobicContact CG-CB 4.4Å; M224-W246 HydrophobicContact CG-CD2 3.67Å; M224-W246 HydrophobicContact CG-CE3 3.78Å; M224-W246 HydrophobicContact CG-CG 3.94Å; M224-W246 HydrophobicContact CG-CZ3 4.31Å
225	S	97.4	Very high	97.7	Very high	19 Å²	19	19.2 Å²	19.2	13%	0.133	9%	0.092	C	C	.	.	I	π-helix	trans	-86.1	-27.2	-172.7	78	0	0	0	0	114.3	A221 N229	A221-S225 VanDerWaalsContact O-CB 3.29Å; A221-S225 WeakPolarHBondContact O-CB 3.38Å; A221-S225 PolarHBondContact O-N 3.07Å; A221-S225 PolarHBondContact O-OG 2.96Å; S225-N229 VanDerWaalsContact O-CB 3.24Å; S225-N229 WeakPolarHBondContact O-CB 3.44Å; S225-N229 PolarHBondContact O-ND2 3.05Å
226	K	96.6	Very high	97.6	Very high	32 Å²	32	28.1 Å²	28.1	14%	0.139	13%	0.126	C	C	.	.	I	π-helix	trans	-111	-69.7	-177.3	-171.3	169	-178	166.4	0	110.6	I8 D12 W222 N229 I230	I8-K226 VanDerWaalsContact CG2-NZ 3.29Å; D12-K226 IonicContact OD2-NZ 3.36Å; W222-K226 HydrophobicContact CB-CB 4.47Å; W222-K226 HydrophobicContact CD2-CD 4.38Å; W222-K226 HydrophobicContact CE3-CD 4.35Å; W222-K226 HydrophobicContact CH2-CD 4.11Å; W222-K226 HydrophobicContact CZ2-CD 4.32Å; W222-K226 HydrophobicContact CZ3-CD 4.18Å; W222-K226 CarbonylContact O-C 3.36Å; W222-K226 WeakPolarHBondContact O-CA 3.27Å; W222-K226 WeakPolarHBondContact O-CB 3.29Å; W222-K226 PolarHBondContact O-N 2.88Å; K226-N229 PolarHBondContact O-N 3.2Å; K226-I230 HydrophobicContact CG-CD1 3.75Å; K226-I230 WeakPolarHBondContact O-CB 3.18Å; K226-I230 VanDerWaalsContact O-CG1 3.23Å; K226-I230 WeakPolarHBondContact O-CG1 3.49Å; K226-I230 PolarHBondContact O-N 3.43Å
227	F	98.1	Very high	97.5	Very high	14 Å²	14	28.6 Å²	28.6	6%	0.061	13%	0.129	C	C	.	.	I	π-helix	trans	-63.3	-57.6	-171.1	-59.9	-48.3	0	0	0	112.7	F124 A126 H138 I140 W222 N229 I230 Q231	F124-F227 HydrophobicContact CB-CD2 4.39Å; F124-F227 HydrophobicContact CD2-CB 4.16Å; A126-F227 HydrophobicContact CB-CD1 3.81Å; A126-F227 HydrophobicContact CB-CE1 3.85Å; A126-F227 HydrophobicContact CB-CG 4.37Å; A126-F227 HydrophobicContact CB-CZ 4.43Å; H138-F227 HydrophobicContact CB-CD1 3.99Å; H138-F227 HydrophobicContact CB-CE1 4.07Å; H138-F227 AromaticContact CG-CE1 3.95Å; I140-F227 HydrophobicContact CD1-CB 4.33Å; I140-F227 HydrophobicContact CG1-CB 4.1Å; W222-F227 HydrophobicContact CB-CE2 4.35Å; W222-F227 HydrophobicContact CE3-CZ 4.27Å; W222-F227 PolarHBondContact O-N 3.35Å; F227-N229 VanDerWaalsContact C-N 3.26Å; F227-N229 PolarHBondContact O-N 3.18Å; F227-I230 PolarHBondContact O-N 2.81Å; F227-Q231 VanDerWaalsContact O-CB 3.28Å; F227-Q231 WeakPolarHBondContact O-CB 3.33Å; F227-Q231 PolarHBondContact O-N 2.98Å
228	L	98.4	Very high	97.4	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-35.4	178.8	-176.6	58.9	0	0	0	112.4	F124 F192 D223 M224 C232 Y239 P240 A243	F124-L228 HydrophobicContact CE2-CB 3.96Å; F192-L228 HydrophobicContact CE1-CD1 4.44Å; F192-L228 HydrophobicContact CE2-CD1 4.4Å; F192-L228 HydrophobicContact CZ-CD1 3.59Å; D223-L228 VanDerWaalsContact O-CB 3.23Å; D223-L228 WeakPolarHBondContact O-CB 3.4Å; D223-L228 PolarHBondContact O-N 2.66Å; M224-L228 HydrophobicContact SD-CD2 3.77Å; L228-C232 WeakPolarHBondContact O-CB 3.2Å; L228-C232 PolarHBondContact O-N 3Å; L228-C232 PolarHBondContact O-SG 3.38Å; L228-Y239 HydrophobicContact CB-CE2 4.3Å; L228-Y239 HydrophobicContact CD2-CE1 4.5Å; L228-Y239 HydrophobicContact CD2-CE2 4.1Å; L228-Y239 HydrophobicContact CG-CE2 3.92Å; L228-P240 HydrophobicContact CD2-CG 4.1Å; L228-A243 HydrophobicContact CD2-CB 3.64Å
229	N	97.2	Very high	97.4	Very high	22 Å²	22	37.1 Å²	37.1	12%	0.118	16%	0.161	C	C	.	.	H	α-helix	trans	-67.7	-43.8	178.8	-179.3	25.4	0	0	0	112.2	S225 K226 F227 R233 Y239 M311	S225-N229 VanDerWaalsContact O-CB 3.24Å; S225-N229 WeakPolarHBondContact O-CB 3.44Å; S225-N229 PolarHBondContact O-ND2 3.05Å; K226-N229 PolarHBondContact O-N 3.2Å; F227-N229 VanDerWaalsContact C-N 3.26Å; F227-N229 PolarHBondContact O-N 3.18Å; N229-R233 PolarHBondContact ND2-NH2 3.36Å; N229-R233 VanDerWaalsContact O-CG 3.29Å; N229-R233 WeakPolarHBondContact O-CG 2.97Å; N229-R233 PolarHBondContact O-N 2.97Å; N229-R233 PolarHBondContact OD1-NE 3.15Å; N229-R233 VanDerWaalsContact OD1-NE 3.14Å; N229-R233 PolarHBondContact OD1-NH2 2.72Å; N229-Y239 HydrophobicContact CB-CD2 4.45Å; N229-Y239 HydrophobicContact CB-CE2 4.14Å; N229-M311 HydrophobicContact CB-CE 4.37Å
230	I	97	Very high	97.3	Very high	32 Å²	32	36.5 Å²	36.5	16%	0.164	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-48.8	175.1	-69.2	166.7	0	0	0	109.5	H138 K226 F227 C232 R233 I234	H138-I230 VanDerWaalsContact O-CG2 3.31Å; H138-I230 WeakPolarHBondContact O-CG2 3.09Å; K226-I230 HydrophobicContact CG-CD1 3.75Å; K226-I230 WeakPolarHBondContact O-CB 3.18Å; K226-I230 VanDerWaalsContact O-CG1 3.23Å; K226-I230 WeakPolarHBondContact O-CG1 3.49Å; K226-I230 PolarHBondContact O-N 3.43Å; F227-I230 PolarHBondContact O-N 2.81Å; I230-C232 VanDerWaalsContact C-N 3.33Å; I230-C232 PolarHBondContact O-N 2.93Å; I230-R233 WeakPolarHBondContact O-CA 3.32Å; I230-R233 WeakPolarHBondContact O-CB 3.22Å; I230-R233 PolarHBondContact O-N 3.18Å; I230-I234 HydrophobicContact CG2-CD1 3.71Å; I230-I234 HydrophobicContact CG2-CG1 4.26Å; I230-I234 PolarHBondContact O-N 2.87Å
231	Q	98.5	Very high	97.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.019	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-43.4	-178.9	-171.2	63.5	53.1	0	0	112.3	I140 F192 F227 R233 I234 S235	I140-Q231 HydrophobicContact CB-CG 4.37Å; I140-Q231 HydrophobicContact CD1-CB 3.88Å; I140-Q231 HydrophobicContact CD1-CG 4.11Å; I140-Q231 HydrophobicContact CG1-CB 4.14Å; I140-Q231 HydrophobicContact CG1-CG 4.28Å; F192-Q231 HydrophobicContact CB-CG 3.98Å; F192-Q231 HydrophobicContact CD1-CG 3.42Å; F192-Q231 VanDerWaalsContact CD1-CG 3.42Å; F192-Q231 HydrophobicContact CD2-CG 3.43Å; F192-Q231 VanDerWaalsContact CD2-CG 3.43Å; F192-Q231 HydrophobicContact CE1-CB 4.4Å; F192-Q231 HydrophobicContact CE1-CG 3.63Å; F192-Q231 HydrophobicContact CE2-CB 4.49Å; F192-Q231 HydrophobicContact CE2-CG 3.65Å; F192-Q231 HydrophobicContact CG-CG 3.3Å; F192-Q231 HydrophobicContact CZ-CB 4.38Å; F192-Q231 HydrophobicContact CZ-CG 3.75Å; F227-Q231 VanDerWaalsContact O-CB 3.28Å; F227-Q231 WeakPolarHBondContact O-CB 3.33Å; F227-Q231 PolarHBondContact O-N 2.98Å; Q231-R233 PolarHBondContact O-N 3.47Å; Q231-I234 PolarHBondContact O-N 2.63Å; Q231-S235 PolarHBondContact NE2-OG 2.92Å; Q231-S235 VanDerWaalsContact NE2-OG 3.13Å; Q231-S235 WeakPolarHBondContact O-CB 3.37Å; Q231-S235 PolarHBondContact O-N 3.38Å; Q231-S235 PolarHBondContact O-OG 2.78Å
232	C	97.5	Very high	97.4	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.027	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-33.1	175.4	-70.7	0	0	0	0	112.6	L228 I230 R236 I237	L228-C232 WeakPolarHBondContact O-CB 3.2Å; L228-C232 PolarHBondContact O-N 3Å; L228-C232 PolarHBondContact O-SG 3.38Å; I230-C232 VanDerWaalsContact C-N 3.33Å; I230-C232 PolarHBondContact O-N 2.93Å; C232-R236 PolarHBondContact O-N 3.01Å; C232-I237 HydrophobicContact CB-CG1 3.94Å; C232-I237 PolarHBondContact O-N 3.42Å; C232-I237 VanDerWaalsContact O-O 3.06Å
233	R	96.1	Very high	97.4	Very high	131 Å²	131	39.6 Å²	39.6	49%	0.494	17%	0.171	S	C	.	.	H	α-helix	trans	-71.9	-44.6	176.8	-65.6	166.4	-167.7	-162.2	-1.4	111.2	N229 I230 Q231 R236	N229-R233 PolarHBondContact ND2-NH2 3.36Å; N229-R233 VanDerWaalsContact O-CG 3.29Å; N229-R233 WeakPolarHBondContact O-CG 2.97Å; N229-R233 PolarHBondContact O-N 2.97Å; N229-R233 PolarHBondContact OD1-NE 3.15Å; N229-R233 VanDerWaalsContact OD1-NE 3.14Å; N229-R233 PolarHBondContact OD1-NH2 2.72Å; I230-R233 WeakPolarHBondContact O-CA 3.32Å; I230-R233 WeakPolarHBondContact O-CB 3.22Å; I230-R233 PolarHBondContact O-N 3.18Å; Q231-R233 PolarHBondContact O-N 3.47Å; R233-R236 PolarHBondContact O-N 2.98Å
234	I	96.4	Very high	97.4	Very high	38 Å²	38	42.8 Å²	42.8	20%	0.195	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-51.9	176.8	-68.1	173.7	0	0	0	109.6	E139 V167 I230 Q231 R236	E139-I234 HydrophobicContact CG-CD1 3.69Å; V167-I234 HydrophobicContact CG2-CD1 4.25Å; V167-I234 HydrophobicContact CG2-CG1 4.43Å; V167-I234 HydrophobicContact CG2-CG2 3.63Å; I230-I234 HydrophobicContact CG2-CD1 3.71Å; I230-I234 HydrophobicContact CG2-CG1 4.26Å; I230-I234 PolarHBondContact O-N 2.87Å; Q231-I234 PolarHBondContact O-N 2.63Å; I234-R236 PolarHBondContact O-N 2.75Å; I234-R236 VanDerWaalsContact O-N 3.16Å
235	S	97.2	Very high	97.4	Very high	19 Å²	19	46.4 Å²	46.4	13%	0.133	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	4.1	-179.1	-53.6	0	0	0	0	114.4	Q231 I237	Q231-S235 PolarHBondContact NE2-OG 2.92Å; Q231-S235 VanDerWaalsContact NE2-OG 3.13Å; Q231-S235 WeakPolarHBondContact O-CB 3.37Å; Q231-S235 PolarHBondContact O-N 3.38Å; Q231-S235 PolarHBondContact O-OG 2.78Å; S235-I237 VanDerWaalsContact C-N 3.26Å; S235-I237 WeakPolarHBondContact O-CG2 3.46Å; S235-I237 PolarHBondContact O-N 3.14Å
236	R	96.7	Very high	97.4	Very high	189 Å²	189	45.5 Å²	45.5	71%	0.713	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	40.5	-179.9	-54.3	-178.3	-174.9	172.8	1.6	114	C232 R233 I234 R337	C232-R236 PolarHBondContact O-N 3.01Å; R233-R236 PolarHBondContact O-N 2.98Å; I234-R236 PolarHBondContact O-N 2.75Å; I234-R236 VanDerWaalsContact O-N 3.16Å; R236-R337 WeakPolarHBondContact O-CB 3.38Å; R236-R337 PolarHBondContact O-N 3.43Å
237	I	96.5	Very high	97.5	Very high	12 Å²	12	44 Å²	44	6%	0.062	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-112.6	154.9	174.8	64.3	174.3	0	0	0	111.1	F192 L196 C232 S235 P334	F192-I237 HydrophobicContact CD1-CD1 4.15Å; F192-I237 HydrophobicContact CE1-CD1 3.74Å; L196-I237 HydrophobicContact CD2-CD1 3.57Å; C232-I237 HydrophobicContact CB-CG1 3.94Å; C232-I237 PolarHBondContact O-N 3.42Å; C232-I237 VanDerWaalsContact O-O 3.06Å; S235-I237 VanDerWaalsContact C-N 3.26Å; S235-I237 WeakPolarHBondContact O-CG2 3.46Å; S235-I237 PolarHBondContact O-N 3.14Å; I237-P334 HydrophobicContact CB-CG 4.28Å; I237-P334 HydrophobicContact CD1-CG 3.93Å; I237-P334 HydrophobicContact CG1-CG 4.44Å
238	R	96.8	Very high	97.6	Very high	146 Å²	146	43.8 Å²	43.8	55%	0.551	19%	0.187	S	C	*	.	P	Polyproline II helix	trans	-69.2	149.2	172.4	-66.2	177	-173.6	-165.4	-3.3	110	P334 G335 N336 R337	R238-P334 HydrophobicContact CB-CB 4.14Å; R238-P334 WeakPolarHBondContact O-CB 3.34Å; R238-P334 WeakPolarHBondContact O-CG 3.43Å; R238-G335 WeakPolarHBondContact CB-O 3.5Å; R238-G335 WeakPolarHBondContact CG-O 3.5Å; R238-G335 PolarHBondContact N-O 3.45Å; R238-N336 PolarHBondContact NE-O 3.05Å; R238-R337 HydrophobicContact CG-CB 4.35Å
239	Y	97.4	Very high	97.6	Very high	32 Å²	32	43.6 Å²	43.6	13%	0.125	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-64.3	127.4	175.3	-167.2	-81.6	0	0	0	110.7	M224 L228 N229 Q241 A243 K244	M224-Y239 WeakPolarHBondContact CB-OH 3.27Å; M224-Y239 WeakPolarHBondContact O-CE2 3.42Å; M224-Y239 PolarHBondContact O-OH 3.46Å; L228-Y239 HydrophobicContact CB-CE2 4.3Å; L228-Y239 HydrophobicContact CD2-CE1 4.5Å; L228-Y239 HydrophobicContact CD2-CE2 4.1Å; L228-Y239 HydrophobicContact CG-CE2 3.92Å; N229-Y239 HydrophobicContact CB-CD2 4.45Å; N229-Y239 HydrophobicContact CB-CE2 4.14Å; Y239-Q241 PolarHBondContact O-N 2.86Å; Y239-A243 HydrophobicContact CE1-CB 3.92Å; Y239-A243 PolarHBondContact OH-O 2.83Å; Y239-K244 HydrophobicContact CD1-CG 3.64Å; Y239-K244 HydrophobicContact CE1-CB 4.47Å; Y239-K244 HydrophobicContact CE1-CG 3.77Å
240	P	97.5	Very high	97.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.013	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-64.2	132.1	-175.3	22.1	-30.5	0	0	0	111.8	L228 F242 A243	L228-P240 HydrophobicContact CD2-CG 4.1Å; P240-F242 VanDerWaalsContact C-N 3.3Å; P240-F242 HydrophobicContact CB-CD1 3.88Å; P240-F242 HydrophobicContact CB-CE1 3.51Å; P240-F242 HydrophobicContact CB-CZ 4.03Å; P240-F242 HydrophobicContact CG-CE1 4.39Å; P240-F242 HydrophobicContact CG-CZ 4.44Å; P240-F242 PolarHBondContact O-N 3.32Å; P240-A243 HydrophobicContact CG-CB 4.02Å; P240-A243 PolarHBondContact O-N 3.42Å
241	Q	97.4	Very high	97.7	Very high	116 Å²	116	44.2 Å²	44.2	54%	0.542	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-64.2	-35.7	-173.1	-61	-59	-49.1	0	0	112.7	Y239 A243 K244 P329	Y239-Q241 PolarHBondContact O-N 2.86Å; Q241-A243 PolarHBondContact O-N 2.94Å; Q241-K244 VanDerWaalsContact CD-NZ 3.34Å; Q241-K244 VanDerWaalsContact NE2-NZ 3.13Å; Q241-K244 WeakPolarHBondContact O-CB 3.26Å; Q241-K244 PolarHBondContact O-N 3.12Å; Q241-K244 VanDerWaalsContact OE1-CE 3.25Å; Q241-P329 HydrophobicContact CB-CG 4.26Å
242	F	98	Very high	97.6	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.031	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-66.3	-21.8	-179	69.5	-95.9	0	0	0	113.7	L196 V200 L203 Y214 M216 P240 P329 P331	L196-F242 HydrophobicContact CD1-CZ 4.33Å; V200-F242 HydrophobicContact CG2-CE1 3.87Å; V200-F242 HydrophobicContact CG2-CZ 4.29Å; L203-F242 HydrophobicContact CD1-CD2 4.27Å; L203-F242 HydrophobicContact CD1-CE2 3.89Å; L203-F242 HydrophobicContact CD1-CZ 4.2Å; Y214-F242 WeakPolarHBondContact OH-CB 3.36Å; M216-F242 HydrophobicContact SD-CD2 4.28Å; P240-F242 VanDerWaalsContact C-N 3.3Å; P240-F242 HydrophobicContact CB-CD1 3.88Å; P240-F242 HydrophobicContact CB-CE1 3.51Å; P240-F242 HydrophobicContact CB-CZ 4.03Å; P240-F242 HydrophobicContact CG-CE1 4.39Å; P240-F242 HydrophobicContact CG-CZ 4.44Å; P240-F242 PolarHBondContact O-N 3.32Å; F242-P329 HydrophobicContact CB-CG 4.38Å; F242-P331 HydrophobicContact CD1-CB 3.86Å; F242-P331 HydrophobicContact CE1-CB 4.22Å; F242-P331 HydrophobicContact CG-CB 4.13Å
243	A	98	Very high	97.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-93.3	-3.5	179.9	0	0	0	0	0	113.5	M224 L228 Y239 P240 Q241 K245	M224-A243 HydrophobicContact SD-CB 3.92Å; L228-A243 HydrophobicContact CD2-CB 3.64Å; Y239-A243 HydrophobicContact CE1-CB 3.92Å; Y239-A243 PolarHBondContact OH-O 2.83Å; P240-A243 HydrophobicContact CG-CB 4.02Å; P240-A243 PolarHBondContact O-N 3.42Å; Q241-A243 PolarHBondContact O-N 2.94Å; A243-K245 PolarHBondContact O-N 3.1Å
244	K	97.8	Very high	97.6	Very high	71 Å²	71	39.1 Å²	39.1	31%	0.309	17%	0.17	S	C	.	.	S	Bend	trans	-69.8	-15.5	-174.3	-75.7	-174.5	173.4	-179.7	0	114.6	Y239 Q241 R310 M311	Y239-K244 HydrophobicContact CD1-CG 3.64Å; Y239-K244 HydrophobicContact CE1-CB 4.47Å; Y239-K244 HydrophobicContact CE1-CG 3.77Å; Q241-K244 VanDerWaalsContact CD-NZ 3.34Å; Q241-K244 VanDerWaalsContact NE2-NZ 3.13Å; Q241-K244 WeakPolarHBondContact O-CB 3.26Å; Q241-K244 PolarHBondContact O-N 3.12Å; Q241-K244 VanDerWaalsContact OE1-CE 3.25Å; K244-R310 CarbonylContact O-C 3.49Å; K244-R310 WeakPolarHBondContact O-CA 3.43Å; K244-R310 VanDerWaalsContact O-CB 3.3Å; K244-R310 WeakPolarHBondContact O-CB 3.25Å; K244-M311 PolarHBondContact O-N 3.41Å
245	K	98.3	Very high	97.6	Very high	80 Å²	80	42 Å²	42	35%	0.348	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.2	-178.3	-75.6	179.7	-178.8	173.8	0	107.4	A243 V307 E309 R310 E326	A243-K245 PolarHBondContact O-N 3.1Å; K245-V307 HydrophobicContact CB-CG1 3.79Å; K245-V307 HydrophobicContact CG-CG1 4.32Å; K245-E309 WeakPolarHBondContact CA-O 3.34Å; K245-R310 HydrophobicContact CG-CB 3.88Å; K245-E326 IonicContact NZ-OE2 3.15Å; K245-E326 PolarHBondContact NZ-OE2 3.03Å
246	W	98.7	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	167.5	-179.9	65	96.5	0	0	0	112.4	M216 A221 M224 V307 N308 E309 M311 L316	M216-W246 HydrophobicContact CB-CB 3.91Å; M216-W246 CarbonylContact O-C 3.58Å; M216-W246 WeakPolarHBondContact O-CA 3.19Å; A221-W246 HydrophobicContact CB-CZ2 4.45Å; M224-W246 HydrophobicContact CB-CD2 3.65Å; M224-W246 HydrophobicContact CB-CE3 3.5Å; M224-W246 HydrophobicContact CB-CG 4.43Å; M224-W246 HydrophobicContact CB-CH2 3.67Å; M224-W246 HydrophobicContact CB-CZ2 3.78Å; M224-W246 HydrophobicContact CB-CZ3 3.52Å; M224-W246 HydrophobicContact CG-CB 4.4Å; M224-W246 HydrophobicContact CG-CD2 3.67Å; M224-W246 HydrophobicContact CG-CE3 3.78Å; M224-W246 HydrophobicContact CG-CG 3.94Å; M224-W246 HydrophobicContact CG-CZ3 4.31Å; W246-V307 WeakPolarHBondContact O-CA 3.32Å; W246-N308 PolarHBondContact O-N 3.48Å; W246-N308 VanDerWaalsContact O-N 3.1Å; W246-E309 HydrophobicContact CD2-CB 4.16Å; W246-E309 HydrophobicContact CH2-CB 4.48Å; W246-E309 HydrophobicContact CZ2-CB 3.76Å; W246-E309 PolarHBondContact N-O 3.33Å; W246-E309 PolarHBondContact NE1-OE2 3.18Å; W246-E309 PolarHBondContact O-N 3Å; W246-M311 HydrophobicContact CH2-CG 3.72Å; W246-M311 HydrophobicContact CH2-SD 4.3Å; W246-M311 HydrophobicContact CZ3-CB 4.32Å; W246-M311 HydrophobicContact CZ3-CG 3.72Å; W246-L316 HydrophobicContact CH2-CD1 3.65Å; W246-L316 HydrophobicContact CZ2-CD1 3.47Å; W246-L316 VanDerWaalsContact CZ2-CD1 3.47Å
247	I	98.8	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.6	170.7	-52.3	175.4	0	0	0	107.2	Y116 I119 A215 M216 L217 T218 I249 L305 V307	Y116-I247 HydrophobicContact CD2-CD1 4.48Å; Y116-I247 HydrophobicContact CE2-CD1 4Å; I119-I247 HydrophobicContact CD1-CD1 4.33Å; A215-I247 HydrophobicContact CB-CD1 3.83Å; A215-I247 HydrophobicContact CB-CG1 4.24Å; M216-I247 WeakPolarHBondContact O-CG1 3.44Å; M216-I247 PolarHBondContact O-N 3.32Å; L217-I247 VanDerWaalsContact CA-O 3.29Å; L217-I247 WeakPolarHBondContact CA-O 3.32Å; L217-I247 HydrophobicContact CB-CB 4.04Å; L217-I247 HydrophobicContact CD1-CB 4.11Å; L217-I247 HydrophobicContact CD1-CD1 4.43Å; L217-I247 HydrophobicContact CD1-CG2 3.91Å; L217-I247 HydrophobicContact CG-CB 4Å; L217-I247 HydrophobicContact CG-CG2 4.17Å; T218-I247 PolarHBondContact N-O 2.9Å; I247-I249 PolarHBondContact O-N 3.36Å; I247-L305 HydrophobicContact CD1-CB 4.1Å; I247-L305 HydrophobicContact CG2-CB 4.29Å; I247-V307 HydrophobicContact CG1-CG2 4.39Å
248	N	98.7	Very high	97.5	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	108.8	163.2	176.9	-30.3	0	0	0	108.5	G220 A221 R250 K251 S252 N308 E309	G220-N248 VanDerWaalsContact C-ND2 3.28Å; G220-N248 WeakPolarHBondContact CA-ND2 2.92Å; A221-N248 PolarHBondContact N-ND2 3.5Å; N248-R250 VanDerWaalsContact C-N 3.31Å; N248-R250 PolarHBondContact O-N 3.38Å; N248-R250 WeakPolarHBondContact OD1-CB 3.46Å; N248-R250 PolarHBondContact OD1-N 2.69Å; N248-K251 HydrophobicContact CB-CB 4.37Å; N248-K251 HydrophobicContact CB-CD 4.36Å; N248-K251 HydrophobicContact CB-CG 4.46Å; N248-K251 PolarHBondContact O-N 3.09Å; N248-K251 PolarHBondContact OD1-N 3.02Å; N248-K251 VanDerWaalsContact OD1-N 3.14Å; N248-S252 PolarHBondContact O-N 3Å; N248-S252 PolarHBondContact O-OG 3.31Å; N248-N308 WeakPolarHBondContact CB-OD1 3.14Å; N248-N308 PolarHBondContact N-OD1 2.63Å; N248-N308 PolarHBondContact O-ND2 2.95Å; N248-E309 HydrophobicContact CB-CG 4.06Å; N248-E309 WeakPolarHBondContact CB-OE2 3.2Å; N248-E309 PolarHBondContact ND2-OE1 3.34Å; N248-E309 PolarHBondContact ND2-OE2 2.67Å
249	I	98.7	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.5	-30.6	-175	-160.6	173	0	0	0	112.1	L217 T218 D219 I247 K251 S252 Y253 M269 I291 I294 A295 M298	L217-I249 HydrophobicContact CD1-CB 4.37Å; L217-I249 HydrophobicContact CD1-CD1 4.26Å; L217-I249 HydrophobicContact CD1-CG1 4.45Å; L217-I249 HydrophobicContact CD2-CB 3.99Å; L217-I249 HydrophobicContact CD2-CD1 4.16Å; L217-I249 HydrophobicContact CD2-CG2 4.37Å; L217-I249 HydrophobicContact CG-CB 4.28Å; T218-I249 WeakPolarHBondContact O-CG2 3.4Å; T218-I249 PolarHBondContact O-N 3.44Å; D219-I249 HydrophobicContact CB-CG2 4.47Å; I247-I249 PolarHBondContact O-N 3.36Å; I249-K251 VanDerWaalsContact C-N 3.35Å; I249-K251 PolarHBondContact O-N 2.83Å; I249-S252 CarbonylContact O-C 3.6Å; I249-S252 PolarHBondContact O-N 3.36Å; I249-Y253 VanDerWaalsContact O-CB 3.25Å; I249-Y253 WeakPolarHBondContact O-CB 3.25Å; I249-Y253 PolarHBondContact O-N 2.65Å; I249-M269 HydrophobicContact CG2-CE 4.35Å; I249-I291 HydrophobicContact CD1-CG2 4.16Å; I249-I291 HydrophobicContact CG2-CG2 4.15Å; I249-I294 HydrophobicContact CD1-CB 4.08Å; I249-I294 HydrophobicContact CD1-CG2 3.72Å; I249-I294 HydrophobicContact CG1-CG2 4.45Å; I249-A295 HydrophobicContact CD1-CB 3.92Å; I249-M298 HydrophobicContact CD1-SD 4.34Å; I249-M298 HydrophobicContact CG1-SD 4.05Å
250	R	98.4	Very high	97	Very high	35 Å²	35	35.6 Å²	35.6	13%	0.132	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-46.1	175.4	-60.2	-169.7	173.1	-163.9	-2.9	111.3	E6 D219 N248 Y253 C254 T264 M269	E6-R250 IonicContact OE1-NH1 3.62Å; E6-R250 PolarHBondContact OE1-NH1 3.31Å; D219-R250 PolarHBondContact O-NE 3.23Å; D219-R250 WeakPolarHBondContact OD1-CD 3.44Å; D219-R250 WeakPolarHBondContact OD1-CG 3.29Å; D219-R250 IonicContact OD1-CZ 2.77Å; D219-R250 IonicContact OD1-NE 2.63Å; D219-R250 PolarHBondContact OD1-NE 3.26Å; D219-R250 IonicContact OD1-NH2 3.47Å; D219-R250 IonicContact OD2-CZ 3.84Å; D219-R250 IonicContact OD2-NE 3.66Å; D219-R250 PolarHBondContact OD2-NE 3.19Å; D219-R250 IonicContact OD2-NH2 3.57Å; D219-R250 PolarHBondContact OD2-NH2 3.07Å; N248-R250 VanDerWaalsContact C-N 3.31Å; N248-R250 PolarHBondContact O-N 3.38Å; N248-R250 WeakPolarHBondContact OD1-CB 3.46Å; N248-R250 PolarHBondContact OD1-N 2.69Å; R250-Y253 PolarHBondContact O-N 2.83Å; R250-C254 VanDerWaalsContact O-CB 3.29Å; R250-C254 WeakPolarHBondContact O-CB 3.34Å; R250-C254 PolarHBondContact O-N 3.37Å; R250-T264 VanDerWaalsContact CD-O 3.25Å; R250-T264 WeakPolarHBondContact CD-O 3.41Å; R250-T264 WeakPolarHBondContact CG-O 3.06Å; R250-T264 PolarHBondContact NE-O 3.42Å; R250-M269 HydrophobicContact CG-CE 4.28Å
251	K	97.6	Very high	96.6	Very high	32 Å²	32	43.5 Å²	43.5	14%	0.139	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-46	174.9	-79.2	-176.9	171.5	174.5	0	111.4	N248 I249 N255 E309 S318	N248-K251 HydrophobicContact CB-CB 4.37Å; N248-K251 HydrophobicContact CB-CD 4.36Å; N248-K251 HydrophobicContact CB-CG 4.46Å; N248-K251 PolarHBondContact O-N 3.09Å; N248-K251 PolarHBondContact OD1-N 3.02Å; N248-K251 VanDerWaalsContact OD1-N 3.14Å; I249-K251 VanDerWaalsContact C-N 3.35Å; I249-K251 PolarHBondContact O-N 2.83Å; K251-N255 WeakPolarHBondContact O-CB 3.37Å; K251-N255 PolarHBondContact O-N 3.38Å; K251-N255 VanDerWaalsContact O-N 3.09Å; K251-N255 PolarHBondContact O-ND2 3.48Å; K251-E309 HydrophobicContact CD-CG 4.1Å; K251-E309 WeakPolarHBondContact CD-OE1 3.43Å; K251-E309 WeakPolarHBondContact CE-OE1 3.09Å; K251-E309 IonicContact NZ-OE1 2.63Å; K251-E309 PolarHBondContact NZ-OE1 3.18Å; K251-S318 PolarHBondContact NZ-OG 3.44Å
252	S	98.1	Very high	96.2	Very high	14 Å²	14	43.4 Å²	43.4	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-44.5	178.5	-64	0	0	0	0	111.9	N248 I249 N255 F256 N308	N248-S252 PolarHBondContact O-N 3Å; N248-S252 PolarHBondContact O-OG 3.31Å; I249-S252 CarbonylContact O-C 3.6Å; I249-S252 PolarHBondContact O-N 3.36Å; S252-N255 PolarHBondContact O-N 3.19Å; S252-F256 WeakPolarHBondContact O-CB 3.42Å; S252-F256 PolarHBondContact O-N 3.45Å; S252-N308 PolarHBondContact OG-ND2 3.35Å
253	Y	98.3	Very high	95.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-52.6	-179.4	-172.8	-83.8	0	0	0	111.5	I249 R250 N255 F256 Y257 V259 T264 M269 K272 L273 I294 M298	I249-Y253 VanDerWaalsContact O-CB 3.25Å; I249-Y253 WeakPolarHBondContact O-CB 3.25Å; I249-Y253 PolarHBondContact O-N 2.65Å; R250-Y253 PolarHBondContact O-N 2.83Å; Y253-N255 VanDerWaalsContact C-N 3.35Å; Y253-N255 PolarHBondContact O-N 2.97Å; Y253-F256 PolarHBondContact O-N 3.19Å; Y253-Y257 HydrophobicContact CD1-CD2 4.11Å; Y253-Y257 AromaticContact CD2-CD2 3.57Å; Y253-Y257 HydrophobicContact CD2-CD2 3.57Å; Y253-Y257 AromaticContact CD2-CE2 3.63Å; Y253-Y257 HydrophobicContact CD2-CE2 3.63Å; Y253-Y257 AromaticContact CE1-CD2 3.99Å; Y253-Y257 HydrophobicContact CE1-CD2 3.99Å; Y253-Y257 AromaticContact CE2-CD2 3.41Å; Y253-Y257 HydrophobicContact CE2-CD2 3.41Å; Y253-Y257 VanDerWaalsContact CE2-CD2 3.41Å; Y253-Y257 AromaticContact CE2-CE2 3.42Å; Y253-Y257 HydrophobicContact CE2-CE2 3.42Å; Y253-Y257 VanDerWaalsContact CE2-CE2 3.42Å; Y253-Y257 AromaticContact CG-CD2 3.91Å; Y253-Y257 HydrophobicContact CG-CD2 3.91Å; Y253-Y257 HydrophobicContact CG-CE2 4.38Å; Y253-Y257 AromaticContact CZ-CD2 3.62Å; Y253-Y257 PolarHBondContact O-N 3.04Å; Y253-V259 HydrophobicContact CD1-CG2 3.72Å; Y253-V259 HydrophobicContact CE1-CG2 3.68Å; Y253-T264 HydrophobicContact CD1-CG2 4.12Å; Y253-M269 HydrophobicContact CD1-CG 3.84Å; Y253-M269 HydrophobicContact CD1-SD 3.94Å; Y253-M269 HydrophobicContact CD2-CB 4.25Å; Y253-M269 HydrophobicContact CD2-CG 3.98Å; Y253-M269 HydrophobicContact CD2-SD 3.72Å; Y253-M269 HydrophobicContact CE1-CB 4.42Å; Y253-M269 HydrophobicContact CE1-CG 3.85Å; Y253-M269 HydrophobicContact CE2-CB 3.93Å; Y253-M269 HydrophobicContact CE2-CG 4.02Å; Y253-M269 HydrophobicContact CE2-SD 4.35Å; Y253-M269 HydrophobicContact CG-CG 3.91Å; Y253-M269 HydrophobicContact CG-SD 3.5Å; Y253-M269 VanDerWaalsContact CG-SD 3.5Å; Y253-M269 PolarHBondContact OH-O 3.5Å; Y253-K272 WeakPolarHBondContact OH-CB 3.3Å; Y253-L273 HydrophobicContact CE2-CD1 3.76Å; Y253-L273 HydrophobicContact CE2-CD2 4.2Å; Y253-L273 HydrophobicContact CE2-CG 3.94Å; Y253-I294 HydrophobicContact CD2-CG2 4.04Å; Y253-I294 HydrophobicContact CE2-CG2 4.39Å; Y253-M298 HydrophobicContact CD2-SD 3.87Å; Y253-M298 HydrophobicContact CG-SD 4.5Å
254	C	95.4	Very high	95.6	Very high	18 Å²	18	46.6 Å²	46.6	12%	0.122	23%	0.225	C	C	.	.	H	α-helix	trans	-50.3	-53.6	174.1	168.2	0	0	0	0	111.4	R250 F256 K258 V259 T264	R250-C254 VanDerWaalsContact O-CB 3.29Å; R250-C254 WeakPolarHBondContact O-CB 3.34Å; R250-C254 PolarHBondContact O-N 3.37Å; C254-F256 VanDerWaalsContact C-N 3.34Å; C254-F256 PolarHBondContact O-N 2.89Å; C254-K258 VanDerWaalsContact O-CA 3.25Å; C254-K258 WeakPolarHBondContact O-CA 3.28Å; C254-K258 PolarHBondContact O-N 2.79Å; C254-V259 PolarHBondContact O-N 3.49Å; C254-V259 PolarHBondContact SG-O 3.08Å; C254-T264 HydrophobicContact CB-CG2 3.92Å
255	N	95.6	Very high	95.5	Very high	99 Å²	99	45 Å²	45	53%	0.529	22%	0.218	S	C	.	.	H	α-helix	trans	-67	-34.7	-176	-72.3	-21	0	0	0	113.2	K251 S252 Y253 K258	K251-N255 WeakPolarHBondContact O-CB 3.37Å; K251-N255 PolarHBondContact O-N 3.38Å; K251-N255 VanDerWaalsContact O-N 3.09Å; K251-N255 PolarHBondContact O-ND2 3.48Å; S252-N255 PolarHBondContact O-N 3.19Å; Y253-N255 VanDerWaalsContact C-N 3.35Å; Y253-N255 PolarHBondContact O-N 2.97Å; N255-K258 WeakPolarHBondContact O-CD 3.17Å; N255-K258 VanDerWaalsContact O-CE 3.24Å; N255-K258 WeakPolarHBondContact O-CE 2.9Å; N255-K258 PolarHBondContact O-NZ 3.13Å
256	F	97.1	Very high	95.4	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.088	20%	0.204	C	C	.	.	H	α-helix	trans	-80.3	-51.1	-175.2	-176.7	-105.1	0	0	0	112.4	K91 N95 S252 Y253 C254 M298 D301 C303	K91-F256 HydrophobicContact CD-CE2 4.48Å; K91-F256 HydrophobicContact CD-CZ 4.44Å; K91-F256 WeakPolarHBondContact CD-O 3.25Å; K91-F256 VanDerWaalsContact CE-CD2 3.48Å; K91-F256 WeakPolarHBondContact CE-O 3.35Å; K91-F256 HydrophobicContact CG-CD1 4.01Å; K91-F256 HydrophobicContact CG-CE1 3.64Å; K91-F256 HydrophobicContact CG-CE2 4.32Å; K91-F256 HydrophobicContact CG-CZ 3.84Å; N95-F256 WeakPolarHBondContact ND2-CE2 3.36Å; N95-F256 WeakPolarHBondContact ND2-CZ 3.44Å; S252-F256 WeakPolarHBondContact O-CB 3.42Å; S252-F256 PolarHBondContact O-N 3.45Å; Y253-F256 PolarHBondContact O-N 3.19Å; C254-F256 VanDerWaalsContact C-N 3.34Å; C254-F256 PolarHBondContact O-N 2.89Å; F256-M298 HydrophobicContact CB-CE 4.06Å; F256-M298 HydrophobicContact CD1-CE 4.41Å; F256-M298 HydrophobicContact CG-CE 4.43Å; F256-D301 HydrophobicContact CE1-CB 3.88Å; F256-D301 HydrophobicContact CZ-CB 4.08Å; F256-D301 WeakPolarHBondContact CZ-O 3.48Å; F256-C303 HydrophobicContact CD1-CB 4.13Å; F256-C303 HydrophobicContact CD2-CB 3.62Å; F256-C303 VanDerWaalsContact CD2-SG 3.54Å; F256-C303 HydrophobicContact CE1-CB 3.99Å; F256-C303 HydrophobicContact CE2-CB 3.46Å; F256-C303 VanDerWaalsContact CE2-CB 3.46Å; F256-C303 HydrophobicContact CG-CB 3.93Å; F256-C303 HydrophobicContact CZ-CB 3.63Å
257	Y	96.6	Very high	95.3	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-87	-3.6	-179.5	-64	-63.4	0	0	0	113.9	V88 K91 Y253 L273 M298 D301	V88-Y257 HydrophobicContact CB-CD1 4.29Å; V88-Y257 HydrophobicContact CB-CE1 4.34Å; V88-Y257 HydrophobicContact CG1-CE1 4.06Å; V88-Y257 HydrophobicContact CG2-CD1 3.84Å; V88-Y257 HydrophobicContact CG2-CE1 4.12Å; V88-Y257 HydrophobicContact CG2-CG 4.2Å; K91-Y257 HydrophobicContact CB-CD1 4.02Å; K91-Y257 HydrophobicContact CB-CE1 4.38Å; K91-Y257 HydrophobicContact CG-CD1 4.07Å; K91-Y257 HydrophobicContact CG-CE1 4.34Å; Y253-Y257 HydrophobicContact CD1-CD2 4.11Å; Y253-Y257 AromaticContact CD2-CD2 3.57Å; Y253-Y257 HydrophobicContact CD2-CD2 3.57Å; Y253-Y257 AromaticContact CD2-CE2 3.63Å; Y253-Y257 HydrophobicContact CD2-CE2 3.63Å; Y253-Y257 AromaticContact CE1-CD2 3.99Å; Y253-Y257 HydrophobicContact CE1-CD2 3.99Å; Y253-Y257 AromaticContact CE2-CD2 3.41Å; Y253-Y257 HydrophobicContact CE2-CD2 3.41Å; Y253-Y257 VanDerWaalsContact CE2-CD2 3.41Å; Y253-Y257 AromaticContact CE2-CE2 3.42Å; Y253-Y257 HydrophobicContact CE2-CE2 3.42Å; Y253-Y257 VanDerWaalsContact CE2-CE2 3.42Å; Y253-Y257 AromaticContact CG-CD2 3.91Å; Y253-Y257 HydrophobicContact CG-CD2 3.91Å; Y253-Y257 HydrophobicContact CG-CE2 4.38Å; Y253-Y257 AromaticContact CZ-CD2 3.62Å; Y253-Y257 PolarHBondContact O-N 3.04Å; Y257-L273 HydrophobicContact CE1-CD2 4.39Å; Y257-L273 HydrophobicContact CE2-CD2 3.9Å; Y257-M298 HydrophobicContact CE2-CG 3.73Å; Y257-M298 HydrophobicContact CE2-SD 4.37Å; Y257-D301 PolarHBondContact OH-OD2 2.9Å
258	K	93.8	Very high	95.2	Very high	158 Å²	158	45 Å²	45	69%	0.687	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	44.6	178	-53.9	-58.3	-177.2	-165.3	0	112.9	C254 N255	C254-K258 VanDerWaalsContact O-CA 3.25Å; C254-K258 WeakPolarHBondContact O-CA 3.28Å; C254-K258 PolarHBondContact O-N 2.79Å; N255-K258 WeakPolarHBondContact O-CD 3.17Å; N255-K258 VanDerWaalsContact O-CE 3.24Å; N255-K258 WeakPolarHBondContact O-CE 2.9Å; N255-K258 PolarHBondContact O-NZ 3.13Å
259	V	92.3	Very high	95.2	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.091	23%	0.225	C	C	.	.			trans	-107.1	152.6	175.6	-60.1	0	0	0	0	110.4	Y253 C254 Q263 T264	Y253-V259 HydrophobicContact CD1-CG2 3.72Å; Y253-V259 HydrophobicContact CE1-CG2 3.68Å; C254-V259 PolarHBondContact O-N 3.49Å; C254-V259 PolarHBondContact SG-O 3.08Å; V259-Q263 HydrophobicContact CB-CB 4.48Å; V259-T264 HydrophobicContact CG2-CG2 4.38Å
260	P	92	Very high	95.2	Very high	66 Å²	66	44.7 Å²	44.7	43%	0.429	23%	0.225	S	C	.	.			trans	-67.9	155	175.4	29	-35.1	0	0	0	111.6	T262 Q263	P260-T262 PolarHBondContact O-N 3.42Å; P260-T262 VanDerWaalsContact O-N 3.13Å; P260-Q263 HydrophobicContact CG-CB 4.44Å; P260-Q263 HydrophobicContact CG-CG 3.99Å; P260-Q263 PolarHBondContact O-N 3.3Å
261	R	88.3	Confident	95.2	Very high	169 Å²	169	49.1 Å²	49.1	64%	0.638	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-55.9	-28.5	176.5	-76.2	-173.2	162.2	116.9	1.7	113.9	Q263 T264	R261-Q263 PolarHBondContact O-N 2.94Å; R261-Q263 VanDerWaalsContact O-N 3.14Å; R261-T264 PolarHBondContact O-N 3.41Å; R261-T264 PolarHBondContact O-OG1 3.31Å
262	T	89.4	Confident	95.2	Very high	114 Å²	114	50 Å²	50	70%	0.699	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-65.3	-13.8	176.3	52.5	0	0	0	0	113.3	P260	P260-T262 PolarHBondContact O-N 3.42Å; P260-T262 VanDerWaalsContact O-N 3.13Å
263	Q	90.4	Very high	95.2	Very high	67 Å²	67	49.3 Å²	49.3	31%	0.313	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-106.9	22.7	178.1	-64.6	-176	36	0	0	113	V259 P260 R261 T268	V259-Q263 HydrophobicContact CB-CB 4.48Å; P260-Q263 HydrophobicContact CG-CB 4.44Å; P260-Q263 HydrophobicContact CG-CG 3.99Å; P260-Q263 PolarHBondContact O-N 3.3Å; R261-Q263 PolarHBondContact O-N 2.94Å; R261-Q263 VanDerWaalsContact O-N 3.14Å; Q263-T268 HydrophobicContact CB-CG2 4.12Å
264	T	93.9	Very high	95.1	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.043	26%	0.263	C	S	.	.			trans	-111.9	25.7	179.5	65.1	0	0	0	0	113.3	R250 Y253 C254 V259 R261	R250-T264 VanDerWaalsContact CD-O 3.25Å; R250-T264 WeakPolarHBondContact CD-O 3.41Å; R250-T264 WeakPolarHBondContact CG-O 3.06Å; R250-T264 PolarHBondContact NE-O 3.42Å; Y253-T264 HydrophobicContact CD1-CG2 4.12Å; C254-T264 HydrophobicContact CB-CG2 3.92Å; V259-T264 HydrophobicContact CG2-CG2 4.38Å; R261-T264 PolarHBondContact O-N 3.41Å; R261-T264 PolarHBondContact O-OG1 3.31Å
265	K	95.1	Very high	95.3	Very high	37 Å²	37	51 Å²	51	16%	0.161	26%	0.262	C	S	.	.	S	Bend	trans	-69.3	148.7	165.5	-44.1	-158.7	-171.5	-166	0	109.2	D2 E6 S267 T268 M269	D2-K265 HydrophobicContact CB-CD 3.97Å; E6-K265 WeakPolarHBondContact OE1-CD 3.3Å; E6-K265 VanDerWaalsContact OE1-CG 3.3Å; E6-K265 WeakPolarHBondContact OE1-CG 3.37Å; E6-K265 WeakPolarHBondContact OE2-CD 3.3Å; E6-K265 WeakPolarHBondContact OE2-CE 3.42Å; E6-K265 IonicContact OE2-NZ 3.87Å; E6-K265 PolarHBondContact OE2-NZ 2.92Å; K265-S267 PolarHBondContact O-N 3.02Å; K265-T268 PolarHBondContact O-N 2.77Å; K265-T268 VanDerWaalsContact O-N 3.1Å; K265-M269 WeakPolarHBondContact O-CG 3.4Å; K265-M269 PolarHBondContact O-N 2.97Å
266	L	96.9	Very high	95.4	Very high	9 Å²	9	54.8 Å²	54.8	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-50.8	-53	-178.4	-179.8	53.9	0	0	0	112.6	T268 M269 L270 Y277 D287 N290 I291 I294	L266-T268 VanDerWaalsContact C-N 3.34Å; L266-T268 PolarHBondContact O-N 2.68Å; L266-M269 PolarHBondContact O-N 3.39Å; L266-L270 HydrophobicContact CD1-CD1 4.48Å; L266-L270 WeakPolarHBondContact O-CG 3.39Å; L266-L270 PolarHBondContact O-N 3.46Å; L266-Y277 HydrophobicContact CD2-CE2 3.96Å; L266-Y277 HydrophobicContact CG-CE2 4.44Å; L266-D287 HydrophobicContact CD2-CB 4.03Å; L266-D287 WeakPolarHBondContact CD2-OD1 3.25Å; L266-N290 HydrophobicContact CD1-CB 4.25Å; L266-N290 HydrophobicContact CD2-CB 4.45Å; L266-I291 HydrophobicContact CD1-CG1 3.76Å; L266-I291 HydrophobicContact CD2-CG1 4.2Å; L266-I294 HydrophobicContact CD1-CD1 3.5Å
267	S	96.4	Very high	95.4	Very high	45 Å²	45	56.7 Å²	56.7	32%	0.315	28%	0.28	S	S	.	.	H	α-helix	trans	-58.3	-43.7	178.5	66.7	0	0	0	0	112.7	D2 K265 L270 E271	D2-S267 VanDerWaalsContact OD2-CB 3.23Å; D2-S267 WeakPolarHBondContact OD2-CB 3.26Å; D2-S267 PolarHBondContact OD2-OG 3.46Å; K265-S267 PolarHBondContact O-N 3.02Å; S267-L270 PolarHBondContact O-N 2.94Å; S267-E271 WeakPolarHBondContact O-CB 3.44Å; S267-E271 PolarHBondContact O-N 3.02Å
268	T	96.9	Very high	95.5	Very high	28 Å²	28	61.7 Å²	61.7	17%	0.172	30%	0.304	C	S	.	.	H	α-helix	trans	-67.2	-40.8	179	-55.8	0	0	0	0	111.3	Q263 K265 L266 E271 K272	Q263-T268 HydrophobicContact CB-CG2 4.12Å; K265-T268 PolarHBondContact O-N 2.77Å; K265-T268 VanDerWaalsContact O-N 3.1Å; L266-T268 VanDerWaalsContact C-N 3.34Å; L266-T268 PolarHBondContact O-N 2.68Å; T268-E271 PolarHBondContact O-N 3.2Å; T268-K272 HydrophobicContact CG2-CG 4.11Å; T268-K272 WeakPolarHBondContact O-CB 3.05Å; T268-K272 WeakPolarHBondContact O-CG 3.43Å; T268-K272 PolarHBondContact O-N 3.09Å
269	M	98.3	Very high	95.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-45.5	175.4	-69.8	-169.2	-69.1	0	0	110.9	D219 I249 R250 Y253 K265 L266 L273 I294	D219-M269 WeakPolarHBondContact OD1-CE 3.43Å; I249-M269 HydrophobicContact CG2-CE 4.35Å; R250-M269 HydrophobicContact CG-CE 4.28Å; Y253-M269 HydrophobicContact CD1-CG 3.84Å; Y253-M269 HydrophobicContact CD1-SD 3.94Å; Y253-M269 HydrophobicContact CD2-CB 4.25Å; Y253-M269 HydrophobicContact CD2-CG 3.98Å; Y253-M269 HydrophobicContact CD2-SD 3.72Å; Y253-M269 HydrophobicContact CE1-CB 4.42Å; Y253-M269 HydrophobicContact CE1-CG 3.85Å; Y253-M269 HydrophobicContact CE2-CB 3.93Å; Y253-M269 HydrophobicContact CE2-CG 4.02Å; Y253-M269 HydrophobicContact CE2-SD 4.35Å; Y253-M269 HydrophobicContact CG-CG 3.91Å; Y253-M269 HydrophobicContact CG-SD 3.5Å; Y253-M269 VanDerWaalsContact CG-SD 3.5Å; Y253-M269 PolarHBondContact OH-O 3.5Å; K265-M269 WeakPolarHBondContact O-CG 3.4Å; K265-M269 PolarHBondContact O-N 2.97Å; L266-M269 PolarHBondContact O-N 3.39Å; M269-L273 WeakPolarHBondContact O-CB 3.17Å; M269-L273 VanDerWaalsContact O-CG 3.25Å; M269-L273 WeakPolarHBondContact O-CG 3.47Å; M269-L273 PolarHBondContact O-N 2.94Å; M269-L273 VanDerWaalsContact O-N 3.12Å; M269-I294 HydrophobicContact CB-CD1 3.69Å; M269-I294 HydrophobicContact CE-CD1 4.06Å
270	L	98.4	Very high	96	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-51.3	174.4	-68.3	169.7	0	0	0	111.5	L266 S267 K272 L273 G274 M275 Y277 N290 I294	L266-L270 HydrophobicContact CD1-CD1 4.48Å; L266-L270 WeakPolarHBondContact O-CG 3.39Å; L266-L270 PolarHBondContact O-N 3.46Å; S267-L270 PolarHBondContact O-N 2.94Å; L270-K272 PolarHBondContact O-N 3.4Å; L270-L273 CarbonylContact O-C 3.59Å; L270-L273 PolarHBondContact O-N 3.26Å; L270-L273 VanDerWaalsContact O-N 3.12Å; L270-G274 PolarHBondContact O-N 3.42Å; L270-M275 CarbonylContact C-O 3.57Å; L270-M275 HydrophobicContact CB-CB 4.35Å; L270-M275 HydrophobicContact CD2-CB 4.07Å; L270-M275 HydrophobicContact CD2-CE 3.89Å; L270-M275 PolarHBondContact O-N 3.43Å; L270-Y277 HydrophobicContact CD1-CD2 3.73Å; L270-Y277 HydrophobicContact CD1-CG 4.25Å; L270-N290 HydrophobicContact CD1-CB 4.15Å; L270-N290 HydrophobicContact CD2-CB 4.48Å; L270-I294 HydrophobicContact CD2-CD1 3.99Å; L270-I294 HydrophobicContact CD2-CG1 3.74Å; L270-I294 HydrophobicContact CG-CD1 4.06Å; L270-I294 HydrophobicContact CG-CG1 4.34Å
271	E	97.7	Very high	96.2	Very high	127 Å²	127	60.5 Å²	60.5	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-57.5	-47.5	-179	-171.9	-153.9	154.9	0	0	111.5	S267 T268 L273 G274	S267-E271 WeakPolarHBondContact O-CB 3.44Å; S267-E271 PolarHBondContact O-N 3.02Å; T268-E271 PolarHBondContact O-N 3.2Å; E271-L273 PolarHBondContact O-N 3.4Å; E271-G274 WeakPolarHBondContact O-CA 3.44Å; E271-G274 PolarHBondContact O-N 3.44Å
272	K	97.4	Very high	96.5	Very high	50 Å²	50	53.4 Å²	53.4	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-66	-27.8	179.9	-67.4	-64	179.9	-159.6	0	112.6	G84 V85 Y253 T268 L270 G274	G84-K272 CarbonylContact C-O 3.56Å; G84-K272 WeakPolarHBondContact CA-O 3.2Å; V85-K272 HydrophobicContact CB-CD 4.5Å; V85-K272 HydrophobicContact CG1-CD 3.62Å; V85-K272 HydrophobicContact CG2-CB 4.28Å; V85-K272 HydrophobicContact CG2-CD 4.12Å; V85-K272 PolarHBondContact N-O 3.22Å; Y253-K272 WeakPolarHBondContact OH-CB 3.3Å; T268-K272 HydrophobicContact CG2-CG 4.11Å; T268-K272 WeakPolarHBondContact O-CB 3.05Å; T268-K272 WeakPolarHBondContact O-CG 3.43Å; T268-K272 PolarHBondContact O-N 3.09Å; L270-K272 PolarHBondContact O-N 3.4Å; K272-G274 VanDerWaalsContact C-N 3.28Å
273	L	98.3	Very high	96.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-81.4	-6.5	170.9	-67.2	171.6	0	0	0	113	V88 Y253 Y257 M269 L270 E271 M275 I294 R297	V88-L273 HydrophobicContact CG1-CD2 3.81Å; V88-L273 HydrophobicContact CG2-CD2 4.04Å; Y253-L273 HydrophobicContact CE2-CD1 3.76Å; Y253-L273 HydrophobicContact CE2-CD2 4.2Å; Y253-L273 HydrophobicContact CE2-CG 3.94Å; Y257-L273 HydrophobicContact CE1-CD2 4.39Å; Y257-L273 HydrophobicContact CE2-CD2 3.9Å; M269-L273 WeakPolarHBondContact O-CB 3.17Å; M269-L273 VanDerWaalsContact O-CG 3.25Å; M269-L273 WeakPolarHBondContact O-CG 3.47Å; M269-L273 PolarHBondContact O-N 2.94Å; M269-L273 VanDerWaalsContact O-N 3.12Å; L270-L273 CarbonylContact O-C 3.59Å; L270-L273 PolarHBondContact O-N 3.26Å; L270-L273 VanDerWaalsContact O-N 3.12Å; E271-L273 PolarHBondContact O-N 3.4Å; L273-M275 HydrophobicContact CB-CE 3.64Å; L273-M275 HydrophobicContact CB-CG 4.38Å; L273-M275 HydrophobicContact CD1-CE 3.43Å; L273-M275 VanDerWaalsContact CD1-CE 3.43Å; L273-M275 HydrophobicContact CG-CE 4.17Å; L273-I294 HydrophobicContact CD1-CB 4.4Å; L273-I294 HydrophobicContact CD1-CG1 4.14Å; L273-I294 HydrophobicContact CD1-CG2 3.97Å; L273-R297 HydrophobicContact CB-CG 4.49Å; L273-R297 HydrophobicContact CD1-CB 4.25Å; L273-R297 HydrophobicContact CD1-CG 3.82Å; L273-R297 HydrophobicContact CD2-CG 3.74Å; L273-R297 HydrophobicContact CG-CG 4.21Å
274	G	97.8	Very high	97.3	Very high	33 Å²	33	45.7 Å²	45.7	34%	0.34	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	29.7	-176.6	0	0	0	0	0	113.1	L270 E271 K272	L270-G274 PolarHBondContact O-N 3.42Å; E271-G274 WeakPolarHBondContact O-CA 3.44Å; E271-G274 PolarHBondContact O-N 3.44Å; K272-G274 VanDerWaalsContact C-N 3.28Å
275	M	98.3	Very high	97.5	Very high	20 Å²	20	45.8 Å²	45.8	10%	0.099	24%	0.243	C	C	.	.			trans	-105.9	154.1	174.1	-63	-171.8	-70.8	0	0	110.1	L270 L273 I294 R297	L270-M275 CarbonylContact C-O 3.57Å; L270-M275 HydrophobicContact CB-CB 4.35Å; L270-M275 HydrophobicContact CD2-CB 4.07Å; L270-M275 HydrophobicContact CD2-CE 3.89Å; L270-M275 PolarHBondContact O-N 3.43Å; L273-M275 HydrophobicContact CB-CE 3.64Å; L273-M275 HydrophobicContact CB-CG 4.38Å; L273-M275 HydrophobicContact CD1-CE 3.43Å; L273-M275 VanDerWaalsContact CD1-CE 3.43Å; L273-M275 HydrophobicContact CG-CE 4.17Å; M275-I294 HydrophobicContact CE-CG1 4.11Å; M275-R297 HydrophobicContact CE-CB 4.23Å; M275-R297 HydrophobicContact CE-CG 4.4Å
276	K	97.6	Very high	97.7	Very high	178 Å²	178	45.6 Å²	45.6	77%	0.774	24%	0.243	S	C	*	.			trans	-99.9	150.2	170.2	-64.3	-176.3	179.5	-177.8	0	109.5	R293	K276-R293 PolarHBondContact O-NH1 3.3Å; K276-R293 PolarHBondContact O-NH2 3.08Å
277	Y	98.4	Very high	97.8	Very high	60 Å²	60	45.5 Å²	45.5	24%	0.235	24%	0.243	C	C	.	.			trans	-61.9	136.2	167	-166.1	-77.5	0	0	0	109.5	L266 L270 R280 P281 D287 N290	L266-Y277 HydrophobicContact CD2-CE2 3.96Å; L266-Y277 HydrophobicContact CG-CE2 4.44Å; L270-Y277 HydrophobicContact CD1-CD2 3.73Å; L270-Y277 HydrophobicContact CD1-CG 4.25Å; Y277-R280 PolarHBondContact OH-O 3.1Å; Y277-P281 HydrophobicContact CD1-CG 4.11Å; Y277-P281 HydrophobicContact CE1-CG 3.94Å; Y277-P281 WeakPolarHBondContact OH-CA 3.1Å; Y277-D287 WeakPolarHBondContact CE2-OD1 3.37Å; Y277-D287 VanDerWaalsContact CZ-OD1 3.22Å; Y277-D287 VanDerWaalsContact OH-CG 3.26Å; Y277-D287 PolarHBondContact OH-N 2.85Å; Y277-D287 PolarHBondContact OH-OD1 3.14Å; Y277-N290 HydrophobicContact CE2-CB 4.3Å
278	E	98.3	Very high	97.9	Very high	109 Å²	109	43.4 Å²	43.4	51%	0.509	23%	0.228	S	C	.	.			trans	-117.1	129.7	176.8	-73	173.1	-170.9	0	0	109.5	N290 R293	E278-N290 PolarHBondContact N-OD1 3.01Å; E278-N290 VanDerWaalsContact N-OD1 3.13Å; E278-N290 PolarHBondContact O-ND2 2.88Å; E278-R293 IonicContact OE1-CZ 2.81Å; E278-R293 IonicContact OE1-NE 2.74Å; E278-R293 IonicContact OE1-NH1 3.85Å; E278-R293 IonicContact OE1-NH2 3.77Å; E278-R293 PolarHBondContact OE1-NH2 3.48Å; E278-R293 IonicContact OE2-CZ 3.4Å; E278-R293 IonicContact OE2-NE 3.69Å; E278-R293 PolarHBondContact OE2-NE 3.38Å; E278-R293 IonicContact OE2-NH1 3.2Å; E278-R293 IonicContact OE2-NH2 2.65Å
279	G	97.9	Very high	98	Very high	57 Å²	57	46.3 Å²	46.3	59%	0.588	24%	0.236	S	C	*	.	S	Bend	trans	92.2	-157.9	-176.9	0	0	0	0	0	113.5	D286	G279-D286 WeakPolarHBondContact CA-OD2 3.34Å
280	R	97.6	Very high	98.1	Very high	97 Å²	97	46.3 Å²	46.3	37%	0.366	24%	0.236	S	C	.	.			trans	-100.3	120.5	-178.2	-173.6	-168.7	-177.6	-70.2	-0.7	110.8	K177 L178 T179 G180 Y277 C283 D286	K177-R280 PolarHBondContact O-NH2 3.15Å; L178-R280 PolarHBondContact O-NH1 3.44Å; L178-R280 PolarHBondContact O-NH2 2.94Å; T179-R280 VanDerWaalsContact C-CZ 3.5Å; T179-R280 PolarHBondContact O-NH1 3.11Å; G180-R280 VanDerWaalsContact CA-CZ 3.45Å; G180-R280 VanDerWaalsContact CA-NH2 3.31Å; G180-R280 VanDerWaalsContact N-NH2 3.17Å; Y277-R280 PolarHBondContact OH-O 3.1Å; R280-C283 HydrophobicContact CB-CB 4.14Å; R280-C283 WeakPolarHBondContact O-CB 3.33Å; R280-C283 PolarHBondContact O-N 3.18Å; R280-C283 VanDerWaalsContact O-N 3.12Å; R280-D286 PolarHBondContact N-OD2 3.2Å
281	P	96.9	Very high	98.1	Very high	61 Å²	61	46.2 Å²	46.2	40%	0.396	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.1	171.2	-25.9	35.2	0	0	0	112.4	Y277 C283	Y277-P281 HydrophobicContact CD1-CG 4.11Å; Y277-P281 HydrophobicContact CE1-CG 3.94Å; Y277-P281 WeakPolarHBondContact OH-CA 3.1Å; P281-C283 PolarHBondContact O-N 3.39Å
282	H	94.9	Very high	98.1	Very high	20 Å²	20	40.2 Å²	40.2	9%	0.093	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	17.2	-176.3	-45.1	-79.6	0	0	0	114.3	L178 T179 D287	L178-H282 HydrophobicContact CD1-CB 4.43Å; L178-H282 HydrophobicContact CG-CB 4.27Å; L178-H282 WeakPolarHBondContact O-CB 3.39Å; T179-H282 WeakPolarHBondContact CA-O 3.44Å; H282-D287 WeakPolarHBondContact CA-OD2 3.17Å; H282-D287 PolarHBondContact N-OD2 2.94Å
283	C	98.3	Very high	98.2	Very high	19 Å²	19	40 Å²	40	13%	0.128	21%	0.205	C	C	.	.			trans	-91.6	119	154	171.2	0	0	0	0	106.9	R280 P281 L285 D286 D287	R280-C283 HydrophobicContact CB-CB 4.14Å; R280-C283 WeakPolarHBondContact O-CB 3.33Å; R280-C283 PolarHBondContact O-N 3.18Å; R280-C283 VanDerWaalsContact O-N 3.12Å; P281-C283 PolarHBondContact O-N 3.39Å; C283-L285 VanDerWaalsContact C-N 3.27Å; C283-L285 PolarHBondContact O-N 3.01Å; C283-D286 HydrophobicContact CB-CB 4.24Å; C283-D286 PolarHBondContact O-N 3.14Å; C283-D287 PolarHBondContact O-N 3.22Å
284	G	98.4	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-36.6	-168.2	0	0	0	0	0	112.9	E142 P144 S288	E142-G284 PolarHBondContact OE1-N 2.81Å; E142-G284 PolarHBondContact OE2-N 3.28Å; P144-G284 VanDerWaalsContact CG-C 3.41Å; P144-G284 WeakPolarHBondContact CG-O 3.4Å; G284-S288 VanDerWaalsContact O-CB 3.23Å; G284-S288 WeakPolarHBondContact O-CB 3.37Å; G284-S288 PolarHBondContact O-N 3.13Å; G284-S288 PolarHBondContact O-OG 3.05Å
285	L	98.8	Very high	98.3	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-42.3	175.9	-178.1	62.7	0	0	0	113	E142 P144 V146 T158 Q160 C283 S288 R289	E142-L285 PolarHBondContact OE1-N 2.79Å; E142-L285 VanDerWaalsContact OE1-N 3.07Å; P144-L285 HydrophobicContact CB-CB 4.06Å; P144-L285 HydrophobicContact CB-CD1 4.28Å; V146-L285 HydrophobicContact CG2-CD1 3.95Å; T158-L285 HydrophobicContact CG2-CD1 4.35Å; Q160-L285 HydrophobicContact CB-CD2 4.02Å; Q160-L285 HydrophobicContact CG-CB 4.17Å; Q160-L285 HydrophobicContact CG-CD2 4.28Å; Q160-L285 VanDerWaalsContact OE1-CD2 3.29Å; C283-L285 VanDerWaalsContact C-N 3.27Å; C283-L285 PolarHBondContact O-N 3.01Å; L285-S288 PolarHBondContact O-N 2.91Å; L285-R289 WeakPolarHBondContact O-CG 3.42Å; L285-R289 PolarHBondContact O-N 2.77Å
286	D	98.8	Very high	98.3	Very high	32 Å²	32	38.4 Å²	38.4	17%	0.171	19%	0.19	C	C	.	.	H	α-helix	trans	-69.4	-39.5	178.8	-76	-14.8	0	0	0	111	G279 R280 C283 R289 N290	G279-D286 WeakPolarHBondContact CA-OD2 3.34Å; R280-D286 PolarHBondContact N-OD2 3.2Å; C283-D286 HydrophobicContact CB-CB 4.24Å; C283-D286 PolarHBondContact O-N 3.14Å; D286-R289 PolarHBondContact O-N 3.3Å; D286-R289 IonicContact OD1-NH1 3.53Å; D286-R289 PolarHBondContact OD1-NH1 3.02Å; D286-N290 PolarHBondContact O-N 3.46Å; D286-N290 PolarHBondContact O-ND2 3Å
287	D	98.8	Very high	98.4	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.043	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-47.9	171.6	-78.2	-34.5	0	0	0	111	D123 L266 Y277 H282 C283 R289 N290 I291	D123-D287 HydrophobicContact CB-CB 4.42Å; D123-D287 WeakPolarHBondContact OD2-CB 3.13Å; L266-D287 HydrophobicContact CD2-CB 4.03Å; L266-D287 WeakPolarHBondContact CD2-OD1 3.25Å; Y277-D287 WeakPolarHBondContact CE2-OD1 3.37Å; Y277-D287 VanDerWaalsContact CZ-OD1 3.22Å; Y277-D287 VanDerWaalsContact OH-CG 3.26Å; Y277-D287 PolarHBondContact OH-N 2.85Å; Y277-D287 PolarHBondContact OH-OD1 3.14Å; H282-D287 WeakPolarHBondContact CA-OD2 3.17Å; H282-D287 PolarHBondContact N-OD2 2.94Å; C283-D287 PolarHBondContact O-N 3.22Å; D287-R289 VanDerWaalsContact C-N 3.28Å; D287-R289 PolarHBondContact O-N 3.15Å; D287-N290 PolarHBondContact O-N 2.93Å; D287-I291 WeakPolarHBondContact O-CD1 3.47Å; D287-I291 VanDerWaalsContact O-CG1 3.23Å; D287-I291 WeakPolarHBondContact O-CG1 3.37Å; D287-I291 PolarHBondContact O-N 2.97Å
288	S	98.9	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-39.3	175.9	-65.6	0	0	0	0	112.7	D123 G284 L285 A292	D123-S288 PolarHBondContact N-OG 2.67Å; G284-S288 VanDerWaalsContact O-CB 3.23Å; G284-S288 WeakPolarHBondContact O-CB 3.37Å; G284-S288 PolarHBondContact O-N 3.13Å; G284-S288 PolarHBondContact O-OG 3.05Å; L285-S288 PolarHBondContact O-N 2.91Å; S288-A292 WeakPolarHBondContact O-CB 3.29Å; S288-A292 PolarHBondContact O-N 2.82Å
289	R	98.9	Very high	98.4	Very high	89 Å²	89	23.6 Å²	23.6	34%	0.336	13%	0.125	S	C	.	.	H	α-helix	trans	-66.2	-42.7	174.5	-76.4	177	177.2	132.3	1	112	V146 L285 D286 D287 A292 R293	V146-R289 HydrophobicContact CG2-CG 3.98Å; L285-R289 WeakPolarHBondContact O-CG 3.42Å; L285-R289 PolarHBondContact O-N 2.77Å; D286-R289 PolarHBondContact O-N 3.3Å; D286-R289 IonicContact OD1-NH1 3.53Å; D286-R289 PolarHBondContact OD1-NH1 3.02Å; D287-R289 VanDerWaalsContact C-N 3.28Å; D287-R289 PolarHBondContact O-N 3.15Å; R289-A292 WeakPolarHBondContact O-CB 3.37Å; R289-A292 PolarHBondContact O-N 3.23Å; R289-R293 WeakPolarHBondContact O-CG 3.28Å; R289-R293 PolarHBondContact O-N 2.91Å
290	N	98.9	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-40.1	176.6	-77.1	-73	0	0	0	112.2	L266 L270 Y277 E278 D286 D287 A292 R293 I294	L266-N290 HydrophobicContact CD1-CB 4.25Å; L266-N290 HydrophobicContact CD2-CB 4.45Å; L270-N290 HydrophobicContact CD1-CB 4.15Å; L270-N290 HydrophobicContact CD2-CB 4.48Å; Y277-N290 HydrophobicContact CE2-CB 4.3Å; E278-N290 PolarHBondContact N-OD1 3.01Å; E278-N290 VanDerWaalsContact N-OD1 3.13Å; E278-N290 PolarHBondContact O-ND2 2.88Å; D286-N290 PolarHBondContact O-N 3.46Å; D286-N290 PolarHBondContact O-ND2 3Å; D287-N290 PolarHBondContact O-N 2.93Å; N290-A292 VanDerWaalsContact C-N 3.31Å; N290-A292 PolarHBondContact O-N 3.48Å; N290-R293 WeakPolarHBondContact O-CB 3.25Å; N290-R293 PolarHBondContact O-N 2.93Å; N290-R293 PolarHBondContact OD1-NH1 3.42Å; N290-I294 WeakPolarHBondContact O-CG1 3.22Å; N290-I294 PolarHBondContact O-N 2.92Å
291	I	98.9	Very high	98.3	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-43.3	172.5	-65.3	159.3	0	0	0	110.1	V121 D123 L217 D219 I249 L266 D287 R293 I294 A295	V121-I291 HydrophobicContact CG1-CB 3.79Å; V121-I291 HydrophobicContact CG1-CG2 3.47Å; V121-I291 VanDerWaalsContact CG1-CG2 3.47Å; D123-I291 HydrophobicContact CB-CD1 3.86Å; L217-I291 HydrophobicContact CD2-CG2 3.35Å; D219-I291 HydrophobicContact CB-CD1 3.5Å; D219-I291 HydrophobicContact CB-CG1 3.93Å; I249-I291 HydrophobicContact CD1-CG2 4.16Å; I249-I291 HydrophobicContact CG2-CG2 4.15Å; L266-I291 HydrophobicContact CD1-CG1 3.76Å; L266-I291 HydrophobicContact CD2-CG1 4.2Å; D287-I291 WeakPolarHBondContact O-CD1 3.47Å; D287-I291 VanDerWaalsContact O-CG1 3.23Å; D287-I291 WeakPolarHBondContact O-CG1 3.37Å; D287-I291 PolarHBondContact O-N 2.97Å; I291-R293 PolarHBondContact O-N 3.05Å; I291-I294 WeakPolarHBondContact O-CB 3.39Å; I291-I294 PolarHBondContact O-N 3.14Å; I291-A295 PolarHBondContact O-N 3.41Å
292	A	98.9	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-40.4	175.6	0	0	0	0	0	112.6	V121 V146 I148 I155 S288 R289 N290 I294 A295 V296	V121-A292 HydrophobicContact CG2-CB 4.02Å; V146-A292 HydrophobicContact CB-CB 4.48Å; V146-A292 HydrophobicContact CG1-CB 3.71Å; I148-A292 HydrophobicContact CD1-CB 3.67Å; I148-A292 HydrophobicContact CG1-CB 3.91Å; I155-A292 HydrophobicContact CD1-CB 3.84Å; I155-A292 HydrophobicContact CG1-CB 4.05Å; S288-A292 WeakPolarHBondContact O-CB 3.29Å; S288-A292 PolarHBondContact O-N 2.82Å; R289-A292 WeakPolarHBondContact O-CB 3.37Å; R289-A292 PolarHBondContact O-N 3.23Å; N290-A292 VanDerWaalsContact C-N 3.31Å; N290-A292 PolarHBondContact O-N 3.48Å; A292-I294 VanDerWaalsContact C-N 3.32Å; A292-I294 PolarHBondContact O-N 3.41Å; A292-A295 WeakPolarHBondContact O-CB 3.45Å; A292-A295 PolarHBondContact O-N 2.92Å; A292-A295 VanDerWaalsContact O-N 3.17Å; A292-V296 WeakPolarHBondContact O-CG2 3.46Å; A292-V296 PolarHBondContact O-N 3.45Å
293	R	98.8	Very high	98.3	Very high	47 Å²	47	20.2 Å²	20.2	18%	0.177	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-39.3	173.6	-69.6	166.9	69.8	-136.6	8.3	111.9	K276 E278 R289 N290 I291 R297	K276-R293 PolarHBondContact O-NH1 3.3Å; K276-R293 PolarHBondContact O-NH2 3.08Å; E278-R293 IonicContact OE1-CZ 2.81Å; E278-R293 IonicContact OE1-NE 2.74Å; E278-R293 IonicContact OE1-NH1 3.85Å; E278-R293 IonicContact OE1-NH2 3.77Å; E278-R293 PolarHBondContact OE1-NH2 3.48Å; E278-R293 IonicContact OE2-CZ 3.4Å; E278-R293 IonicContact OE2-NE 3.69Å; E278-R293 PolarHBondContact OE2-NE 3.38Å; E278-R293 IonicContact OE2-NH1 3.2Å; E278-R293 IonicContact OE2-NH2 2.65Å; R289-R293 WeakPolarHBondContact O-CG 3.28Å; R289-R293 PolarHBondContact O-N 2.91Å; N290-R293 WeakPolarHBondContact O-CB 3.25Å; N290-R293 PolarHBondContact O-N 2.93Å; N290-R293 PolarHBondContact OD1-NH1 3.42Å; I291-R293 PolarHBondContact O-N 3.05Å; R293-R297 WeakPolarHBondContact O-CB 3.28Å; R293-R297 PolarHBondContact O-N 3.18Å
294	I	98.9	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-45.7	172.7	-64.4	168	0	0	0	110.7	I249 Y253 L266 M269 L270 L273 M275 N290 I291 A292 V296 R297 M298	I249-I294 HydrophobicContact CD1-CB 4.08Å; I249-I294 HydrophobicContact CD1-CG2 3.72Å; I249-I294 HydrophobicContact CG1-CG2 4.45Å; Y253-I294 HydrophobicContact CD2-CG2 4.04Å; Y253-I294 HydrophobicContact CE2-CG2 4.39Å; L266-I294 HydrophobicContact CD1-CD1 3.5Å; M269-I294 HydrophobicContact CB-CD1 3.69Å; M269-I294 HydrophobicContact CE-CD1 4.06Å; L270-I294 HydrophobicContact CD2-CD1 3.99Å; L270-I294 HydrophobicContact CD2-CG1 3.74Å; L270-I294 HydrophobicContact CG-CD1 4.06Å; L270-I294 HydrophobicContact CG-CG1 4.34Å; L273-I294 HydrophobicContact CD1-CB 4.4Å; L273-I294 HydrophobicContact CD1-CG1 4.14Å; L273-I294 HydrophobicContact CD1-CG2 3.97Å; M275-I294 HydrophobicContact CE-CG1 4.11Å; N290-I294 WeakPolarHBondContact O-CG1 3.22Å; N290-I294 PolarHBondContact O-N 2.92Å; I291-I294 WeakPolarHBondContact O-CB 3.39Å; I291-I294 PolarHBondContact O-N 3.14Å; A292-I294 VanDerWaalsContact C-N 3.32Å; A292-I294 PolarHBondContact O-N 3.41Å; I294-V296 PolarHBondContact O-N 3.45Å; I294-R297 WeakPolarHBondContact O-CB 3.33Å; I294-R297 PolarHBondContact O-N 2.86Å; I294-M298 HydrophobicContact CG2-CG 4.34Å; I294-M298 HydrophobicContact CG2-SD 4.03Å; I294-M298 WeakPolarHBondContact O-CG 3.22Å; I294-M298 PolarHBondContact O-N 3.28Å
295	A	98.9	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-48.1	178.7	0	0	0	0	0	111.2	I148 L217 I249 I291 A292 R297 M298 L299 L305	I148-A295 HydrophobicContact CD1-CB 3.78Å; L217-A295 HydrophobicContact CD1-CB 4.12Å; I249-A295 HydrophobicContact CD1-CB 3.92Å; I291-A295 PolarHBondContact O-N 3.41Å; A292-A295 WeakPolarHBondContact O-CB 3.45Å; A292-A295 PolarHBondContact O-N 2.92Å; A292-A295 VanDerWaalsContact O-N 3.17Å; A295-R297 PolarHBondContact O-N 2.98Å; A295-M298 WeakPolarHBondContact O-CB 3.37Å; A295-M298 PolarHBondContact O-N 2.97Å; A295-L299 VanDerWaalsContact O-CG 3.32Å; A295-L299 WeakPolarHBondContact O-CG 3.44Å; A295-L299 PolarHBondContact O-N 3.38Å; A295-L305 HydrophobicContact CB-CD1 3.78Å
296	V	98.8	Very high	97.9	Very high	19 Å²	19	27.1 Å²	27.1	12%	0.115	14%	0.135	C	C	.	.	H	α-helix	trans	-56.8	-48.2	174.6	167.2	0	0	0	0	111.2	I148 L153 A292 I294 M298 L299 Q300	I148-V296 HydrophobicContact CD1-CG2 4.45Å; I148-V296 HydrophobicContact CG2-CG2 3.81Å; L153-V296 HydrophobicContact CB-CG1 4.25Å; L153-V296 WeakPolarHBondContact O-CG1 3.39Å; A292-V296 WeakPolarHBondContact O-CG2 3.46Å; A292-V296 PolarHBondContact O-N 3.45Å; I294-V296 PolarHBondContact O-N 3.45Å; V296-M298 VanDerWaalsContact C-N 3.31Å; V296-M298 PolarHBondContact O-N 3.47Å; V296-L299 PolarHBondContact O-N 2.79Å; V296-Q300 HydrophobicContact CG1-CG 4.4Å; V296-Q300 VanDerWaalsContact O-CG 3.31Å; V296-Q300 WeakPolarHBondContact O-CG 3.24Å; V296-Q300 PolarHBondContact O-N 2.97Å
297	R	98.7	Very high	97.9	Very high	14 Å²	14	26.5 Å²	26.5	5%	0.053	13%	0.132	C	C	.	.	H	α-helix	trans	-56.1	-45	176.1	177.7	71.2	-126.7	166.3	5.9	112.2	D81 R92 L273 M275 R293 I294 A295 Q300 D301	D81-R297 IonicContact OD1-NH1 3.13Å; D81-R297 IonicContact OD2-NH1 2.66Å; D81-R297 PolarHBondContact OD2-NH1 2.95Å; R92-R297 VanDerWaalsContact CZ-CZ 3.45Å; R92-R297 VanDerWaalsContact NH2-NH2 3.16Å; L273-R297 HydrophobicContact CB-CG 4.49Å; L273-R297 HydrophobicContact CD1-CB 4.25Å; L273-R297 HydrophobicContact CD1-CG 3.82Å; L273-R297 HydrophobicContact CD2-CG 3.74Å; L273-R297 HydrophobicContact CG-CG 4.21Å; M275-R297 HydrophobicContact CE-CB 4.23Å; M275-R297 HydrophobicContact CE-CG 4.4Å; R293-R297 WeakPolarHBondContact O-CB 3.28Å; R293-R297 PolarHBondContact O-N 3.18Å; I294-R297 WeakPolarHBondContact O-CB 3.33Å; I294-R297 PolarHBondContact O-N 2.86Å; A295-R297 PolarHBondContact O-N 2.98Å; R297-Q300 PolarHBondContact O-N 2.73Å; R297-D301 IonicContact CZ-OD1 3.38Å; R297-D301 IonicContact CZ-OD2 3.79Å; R297-D301 IonicContact NE-OD1 3.69Å; R297-D301 IonicContact NE-OD2 2.67Å; R297-D301 PolarHBondContact NE-OD2 3.45Å; R297-D301 IonicContact NH2-OD1 2.92Å; R297-D301 PolarHBondContact NH2-OD1 3.31Å; R297-D301 IonicContact NH2-OD2 3.76Å; R297-D301 PolarHBondContact NH2-OD2 3.13Å; R297-D301 WeakPolarHBondContact O-CB 3.36Å; R297-D301 PolarHBondContact O-N 3.46Å
298	M	98.7	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-42.6	179.3	-73.3	-178.4	69	0	0	112	I249 Y253 F256 Y257 I294 A295 V296 D301 G302 C303 L305	I249-M298 HydrophobicContact CD1-SD 4.34Å; I249-M298 HydrophobicContact CG1-SD 4.05Å; Y253-M298 HydrophobicContact CD2-SD 3.87Å; Y253-M298 HydrophobicContact CG-SD 4.5Å; F256-M298 HydrophobicContact CB-CE 4.06Å; F256-M298 HydrophobicContact CD1-CE 4.41Å; F256-M298 HydrophobicContact CG-CE 4.43Å; Y257-M298 HydrophobicContact CE2-CG 3.73Å; Y257-M298 HydrophobicContact CE2-SD 4.37Å; I294-M298 HydrophobicContact CG2-CG 4.34Å; I294-M298 HydrophobicContact CG2-SD 4.03Å; I294-M298 WeakPolarHBondContact O-CG 3.22Å; I294-M298 PolarHBondContact O-N 3.28Å; A295-M298 WeakPolarHBondContact O-CB 3.37Å; A295-M298 PolarHBondContact O-N 2.97Å; V296-M298 VanDerWaalsContact C-N 3.31Å; V296-M298 PolarHBondContact O-N 3.47Å; M298-D301 CarbonylContact O-C 3.48Å; M298-D301 PolarHBondContact O-N 2.98Å; M298-G302 PolarHBondContact O-N 3.35Å; M298-C303 HydrophobicContact CB-CB 3.92Å; M298-C303 HydrophobicContact CE-CB 4.3Å; M298-C303 WeakPolarHBondContact O-CB 3.25Å; M298-C303 PolarHBondContact O-N 3.39Å; M298-L305 HydrophobicContact CB-CD2 4.47Å; M298-L305 HydrophobicContact CE-CD2 3.67Å; M298-L305 HydrophobicContact SD-CD2 4.12Å
299	L	97.9	Very high	97.8	Very high	22 Å²	22	27.4 Å²	27.4	12%	0.115	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-45.7	175	-68.1	170.6	0	0	0	111.2	Y115 I119 T150 L153 A295 V296 D301 G302 C303 L305	Y115-L299 HydrophobicContact CE1-CD2 3.84Å; Y115-L299 WeakPolarHBondContact OH-CD2 3.44Å; I119-L299 HydrophobicContact CD1-CD1 4.36Å; T150-L299 HydrophobicContact CG2-CD1 4.49Å; L153-L299 HydrophobicContact CD2-CB 3.69Å; L153-L299 HydrophobicContact CD2-CD1 3.79Å; L153-L299 HydrophobicContact CD2-CG 4.38Å; A295-L299 VanDerWaalsContact O-CG 3.32Å; A295-L299 WeakPolarHBondContact O-CG 3.44Å; A295-L299 PolarHBondContact O-N 3.38Å; V296-L299 PolarHBondContact O-N 2.79Å; L299-D301 VanDerWaalsContact C-N 3.26Å; L299-D301 PolarHBondContact O-N 3.34Å; L299-G302 WeakPolarHBondContact O-CA 3.21Å; L299-G302 PolarHBondContact O-N 3.45Å; L299-C303 WeakPolarHBondContact CD2-O 3.28Å; L299-L305 HydrophobicContact CD2-CD1 4.22Å; L299-L305 HydrophobicContact CD2-CG 4.28Å; L299-L305 HydrophobicContact CG-CD1 4.12Å
300	Q	97.2	Very high	97.8	Very high	102 Å²	102	27.7 Å²	27.7	48%	0.477	14%	0.138	S	C	.	.	H	α-helix	trans	-59	-37.5	174.2	-71.8	173.8	-13.9	0	0	112.3	L153 V296 R297 G302	L153-Q300 HydrophobicContact CD1-CG 3.71Å; V296-Q300 HydrophobicContact CG1-CG 4.4Å; V296-Q300 VanDerWaalsContact O-CG 3.31Å; V296-Q300 WeakPolarHBondContact O-CG 3.24Å; V296-Q300 PolarHBondContact O-N 2.97Å; R297-Q300 PolarHBondContact O-N 2.73Å; Q300-G302 PolarHBondContact O-N 2.94Å
301	D	97.4	Very high	97.6	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.027	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-0.8	175.5	-75.3	-22.7	0	0	0	113.1	R92 N95 F256 Y257 R297 M298 L299	R92-D301 WeakPolarHBondContact CB-OD1 3.49Å; R92-D301 WeakPolarHBondContact CD-OD1 3.37Å; R92-D301 WeakPolarHBondContact CG-OD1 3.37Å; R92-D301 IonicContact CZ-OD1 3.01Å; R92-D301 IonicContact CZ-OD2 3.73Å; R92-D301 IonicContact NE-OD1 3.32Å; R92-D301 PolarHBondContact NE-OD1 2.92Å; R92-D301 IonicContact NE-OD2 2.79Å; R92-D301 PolarHBondContact NE-OD2 3.16Å; R92-D301 IonicContact NH2-OD1 3.6Å; R92-D301 IonicContact NH2-OD2 3.01Å; R92-D301 PolarHBondContact NH2-OD2 3.47Å; N95-D301 WeakPolarHBondContact CB-O 3.28Å; N95-D301 PolarHBondContact ND2-O 3.25Å; F256-D301 HydrophobicContact CE1-CB 3.88Å; F256-D301 HydrophobicContact CZ-CB 4.08Å; F256-D301 WeakPolarHBondContact CZ-O 3.48Å; Y257-D301 PolarHBondContact OH-OD2 2.9Å; R297-D301 IonicContact CZ-OD1 3.38Å; R297-D301 IonicContact CZ-OD2 3.79Å; R297-D301 IonicContact NE-OD1 3.69Å; R297-D301 IonicContact NE-OD2 2.67Å; R297-D301 PolarHBondContact NE-OD2 3.45Å; R297-D301 IonicContact NH2-OD1 2.92Å; R297-D301 PolarHBondContact NH2-OD1 3.31Å; R297-D301 IonicContact NH2-OD2 3.76Å; R297-D301 PolarHBondContact NH2-OD2 3.13Å; R297-D301 WeakPolarHBondContact O-CB 3.36Å; R297-D301 PolarHBondContact O-N 3.46Å; M298-D301 CarbonylContact O-C 3.48Å; M298-D301 PolarHBondContact O-N 2.98Å; L299-D301 VanDerWaalsContact C-N 3.26Å; L299-D301 PolarHBondContact O-N 3.34Å
302	G	95	Very high	97.4	Very high	45 Å²	45	33.9 Å²	33.9	46%	0.464	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	19.6	176.6	0	0	0	0	0	114.1	M298 L299 Q300	M298-G302 PolarHBondContact O-N 3.35Å; L299-G302 WeakPolarHBondContact O-CA 3.21Å; L299-G302 PolarHBondContact O-N 3.45Å; Q300-G302 PolarHBondContact O-N 2.94Å
303	C	96.1	Very high	96.9	Very high	13 Å²	13	38.3 Å²	38.3	9%	0.088	20%	0.203	C	C	.	.			trans	-72.3	134	167.1	-165.6	0	0	0	0	109.4	F256 M298 L299	F256-C303 HydrophobicContact CD1-CB 4.13Å; F256-C303 HydrophobicContact CD2-CB 3.62Å; F256-C303 VanDerWaalsContact CD2-SG 3.54Å; F256-C303 HydrophobicContact CE1-CB 3.99Å; F256-C303 HydrophobicContact CE2-CB 3.46Å; F256-C303 VanDerWaalsContact CE2-CB 3.46Å; F256-C303 HydrophobicContact CG-CB 3.93Å; F256-C303 HydrophobicContact CZ-CB 3.63Å; M298-C303 HydrophobicContact CB-CB 3.92Å; M298-C303 HydrophobicContact CE-CB 4.3Å; M298-C303 WeakPolarHBondContact O-CB 3.25Å; M298-C303 PolarHBondContact O-N 3.39Å; L299-C303 WeakPolarHBondContact CD2-O 3.28Å
304	Q	94.3	Very high	96.3	Very high	119 Å²	119	38.2 Å²	38.2	56%	0.556	22%	0.217	S	C	*	.			trans	-94.9	99.9	162.1	-69.2	-176.7	-10.9	0	0	106.9	Y115 R306	Y115-Q304 HydrophobicContact CE2-CB 4.18Å; Q304-R306 HydrophobicContact CB-CG 4.47Å; Q304-R306 PolarHBondContact O-N 3.2Å
305	L	97.3	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.			trans	-66.5	124.1	172.7	-64	172.3	0	0	0	108.1	Y115 Y116 I119 L217 I247 A295 M298 L299	Y115-L305 VanDerWaalsContact CE2-O 3.24Å; Y115-L305 WeakPolarHBondContact CE2-O 3.07Å; Y115-L305 WeakPolarHBondContact OH-CA 3.42Å; Y115-L305 WeakPolarHBondContact OH-CB 3.24Å; Y115-L305 PolarHBondContact OH-N 2.81Å; Y115-L305 PolarHBondContact OH-O 3.46Å; Y116-L305 VanDerWaalsContact CE2-O 3.3Å; Y116-L305 WeakPolarHBondContact CE2-O 3.25Å; I119-L305 HydrophobicContact CD1-CB 4.32Å; I119-L305 HydrophobicContact CD1-CD1 4.15Å; L217-L305 HydrophobicContact CD1-CD1 4.1Å; I247-L305 HydrophobicContact CD1-CB 4.1Å; I247-L305 HydrophobicContact CG2-CB 4.29Å; A295-L305 HydrophobicContact CB-CD1 3.78Å; M298-L305 HydrophobicContact CB-CD2 4.47Å; M298-L305 HydrophobicContact CE-CD2 3.67Å; M298-L305 HydrophobicContact SD-CD2 4.12Å; L299-L305 HydrophobicContact CD2-CD1 4.22Å; L299-L305 HydrophobicContact CD2-CG 4.28Å; L299-L305 HydrophobicContact CG-CD1 4.12Å
306	R	96.3	Very high	95.9	Very high	53 Å²	53	48 Å²	48	20%	0.2	27%	0.265	C	S	.	.			trans	-132.7	152.9	-176.5	-59.9	174.9	92.3	-121.7	-4.5	109.3	Q304 N308 S321 A323 V325	Q304-R306 HydrophobicContact CB-CG 4.47Å; Q304-R306 PolarHBondContact O-N 3.2Å; R306-N308 PolarHBondContact O-N 3.25Å; R306-S321 PolarHBondContact NH1-O 2.95Å; R306-A323 PolarHBondContact NH1-O 2.98Å; R306-A323 PolarHBondContact NH2-O 3.03Å; R306-V325 HydrophobicContact CG-CG2 4.43Å
307	V	97.9	Very high	95.8	Very high	20 Å²	20	49.7 Å²	49.7	12%	0.121	27%	0.273	C	S	.	.			trans	-54	126.7	173.3	167.7	0	0	0	0	108.1	Y116 A215 K245 W246 I247 V319	Y116-V307 PolarHBondContact OH-N 3.1Å; A215-V307 HydrophobicContact CB-CG2 4.4Å; K245-V307 HydrophobicContact CB-CG1 3.79Å; K245-V307 HydrophobicContact CG-CG1 4.32Å; W246-V307 WeakPolarHBondContact O-CA 3.32Å; I247-V307 HydrophobicContact CG1-CG2 4.39Å; V307-V319 HydrophobicContact CG1-CB 4.28Å; V307-V319 HydrophobicContact CG1-CG1 4.39Å; V307-V319 HydrophobicContact CG1-CG2 3.95Å
308	N	97.9	Very high	95.7	Very high	22 Å²	22	52.9 Å²	52.9	12%	0.118	30%	0.297	C	S	.	.			trans	-133.9	-3.3	-174.9	63.2	15.3	0	0	0	112.4	W246 N248 S252 R306 S318 V319	W246-N308 PolarHBondContact O-N 3.48Å; W246-N308 VanDerWaalsContact O-N 3.1Å; N248-N308 WeakPolarHBondContact CB-OD1 3.14Å; N248-N308 PolarHBondContact N-OD1 2.63Å; N248-N308 PolarHBondContact O-ND2 2.95Å; S252-N308 PolarHBondContact OG-ND2 3.35Å; R306-N308 PolarHBondContact O-N 3.25Å; N308-S318 WeakPolarHBondContact O-CA 3.41Å; N308-V319 PolarHBondContact O-N 3.16Å
309	E	98.3	Very high	95.6	Very high	5 Å²	5	54.2 Å²	54.2	2%	0.023	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.9	174.9	-71.4	-172.9	160	0	0	111.4	A221 K245 W246 N248 K251 L316 L317	A221-E309 WeakPolarHBondContact CA-OE2 3.27Å; A221-E309 VanDerWaalsContact CB-OE2 3.22Å; A221-E309 WeakPolarHBondContact CB-OE2 3.41Å; K245-E309 WeakPolarHBondContact CA-O 3.34Å; W246-E309 HydrophobicContact CD2-CB 4.16Å; W246-E309 HydrophobicContact CH2-CB 4.48Å; W246-E309 HydrophobicContact CZ2-CB 3.76Å; W246-E309 PolarHBondContact N-O 3.33Å; W246-E309 PolarHBondContact NE1-OE2 3.18Å; W246-E309 PolarHBondContact O-N 3Å; N248-E309 HydrophobicContact CB-CG 4.06Å; N248-E309 WeakPolarHBondContact CB-OE2 3.2Å; N248-E309 PolarHBondContact ND2-OE1 3.34Å; N248-E309 PolarHBondContact ND2-OE2 2.67Å; K251-E309 HydrophobicContact CD-CG 4.1Å; K251-E309 WeakPolarHBondContact CD-OE1 3.43Å; K251-E309 WeakPolarHBondContact CE-OE1 3.09Å; K251-E309 IonicContact NZ-OE1 2.63Å; K251-E309 PolarHBondContact NZ-OE1 3.18Å; E309-L316 HydrophobicContact CB-CD1 4.18Å; E309-L316 HydrophobicContact CG-CD1 4.39Å; E309-L317 CarbonylContact C-O 3.55Å; E309-L317 WeakPolarHBondContact CA-O 3.34Å
310	R	97.7	Very high	95.3	Very high	95 Å²	95	57 Å²	57	36%	0.358	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.1	175.6	68.4	177.2	-177.8	165.8	3.4	112.4	K244 K245 L317 V319	K244-R310 CarbonylContact O-C 3.49Å; K244-R310 WeakPolarHBondContact O-CA 3.43Å; K244-R310 VanDerWaalsContact O-CB 3.3Å; K244-R310 WeakPolarHBondContact O-CB 3.25Å; K245-R310 HydrophobicContact CG-CB 3.88Å; R310-L317 HydrophobicContact CG-CB 3.94Å; R310-L317 PolarHBondContact N-O 2.73Å; R310-L317 PolarHBondContact O-N 2.88Å; R310-V319 HydrophobicContact CB-CG2 3.95Å; R310-V319 HydrophobicContact CG-CG2 3.9Å
311	M	96.6	Very high	94.9	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.084	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.7	163.2	-75.1	-61.9	-78.3	0	0	110.3	N229 K244 W246 G314 Q315	N229-M311 HydrophobicContact CB-CE 4.37Å; K244-M311 PolarHBondContact O-N 3.41Å; W246-M311 HydrophobicContact CH2-CG 3.72Å; W246-M311 HydrophobicContact CH2-SD 4.3Å; W246-M311 HydrophobicContact CZ3-CB 4.32Å; W246-M311 HydrophobicContact CZ3-CG 3.72Å; M311-G314 WeakPolarHBondContact CE-O 3.36Å; M311-Q315 WeakPolarHBondContact CA-O 3.39Å
312	H	92.9	Very high	94.5	Very high	113 Å²	113	62.8 Å²	62.8	52%	0.523	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	128.9	171.6	-173.2	74.5	0	0	0	109.9	G314 Q315 L317	H312-G314 PolarHBondContact O-N 3.19Å; H312-G314 VanDerWaalsContact O-N 3.11Å; H312-Q315 PolarHBondContact N-O 3.34Å; H312-Q315 PolarHBondContact O-N 3.34Å; H312-L317 HydrophobicContact CB-CD1 3.73Å
313	A	89.6	Confident	94.2	Very high	93 Å²	93	62 Å²	62	77%	0.769	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	35.8	-176.8	0	0	0	0	0	114.2	Q315	A313-Q315 VanDerWaalsContact C-N 3.25Å; A313-Q315 PolarHBondContact O-N 2.99Å
314	G	86.6	Confident	93.9	Very high	45 Å²	45	65.8 Å²	65.8	46%	0.464	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	1.9	-178.2	0	0	0	0	0	115.2	M311 H312	M311-G314 WeakPolarHBondContact CE-O 3.36Å; H312-G314 PolarHBondContact O-N 3.19Å; H312-G314 VanDerWaalsContact O-N 3.11Å
315	Q	92.2	Very high	93.7	Very high	130 Å²	130	60.6 Å²	60.6	61%	0.607	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.7	179.2	-62.9	-175.4	-11.3	0	0	112.1	M311 H312 A313	M311-Q315 WeakPolarHBondContact CA-O 3.39Å; H312-Q315 PolarHBondContact N-O 3.34Å; H312-Q315 PolarHBondContact O-N 3.34Å; A313-Q315 VanDerWaalsContact C-N 3.25Å; A313-Q315 PolarHBondContact O-N 2.99Å
316	L	96.3	Very high	93.3	Very high	75 Å²	75	65.5 Å²	65.5	39%	0.393	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	122	172	175.5	64.3	0	0	0	110.1	A221 W246 E309	A221-L316 HydrophobicContact CB-CD1 4.2Å; A221-L316 HydrophobicContact CB-CD2 3.53Å; W246-L316 HydrophobicContact CH2-CD1 3.65Å; W246-L316 HydrophobicContact CZ2-CD1 3.47Å; W246-L316 VanDerWaalsContact CZ2-CD1 3.47Å; E309-L316 HydrophobicContact CB-CD1 4.18Å; E309-L316 HydrophobicContact CG-CD1 4.39Å
317	L	97.2	Very high	93.2	Very high	56 Å²	56	64.4 Å²	64.4	29%	0.293	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.1	177.2	-58.8	179.6	0	0	0	110.9	E309 R310 H312	E309-L317 CarbonylContact C-O 3.55Å; E309-L317 WeakPolarHBondContact CA-O 3.34Å; R310-L317 HydrophobicContact CG-CB 3.94Å; R310-L317 PolarHBondContact N-O 2.73Å; R310-L317 PolarHBondContact O-N 2.88Å; H312-L317 HydrophobicContact CB-CD1 3.73Å
318	S	96.6	Very high	93.2	Very high	81 Å²	81	64.1 Å²	64.1	57%	0.566	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	147.7	170.7	-62.5	0	0	0	0	110.9	K251 N308	K251-S318 PolarHBondContact NZ-OG 3.44Å; N308-S318 WeakPolarHBondContact O-CA 3.41Å
319	V	96	Very high	93.2	Very high	28 Å²	28	66 Å²	66	17%	0.17	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-100.3	126.3	171.8	178.3	0	0	0	0	108.9	V307 N308 R310 A323	V307-V319 HydrophobicContact CG1-CB 4.28Å; V307-V319 HydrophobicContact CG1-CG1 4.39Å; V307-V319 HydrophobicContact CG1-CG2 3.95Å; N308-V319 PolarHBondContact O-N 3.16Å; R310-V319 HydrophobicContact CB-CG2 3.95Å; R310-V319 HydrophobicContact CG-CG2 3.9Å; V319-A323 HydrophobicContact CG1-CB 4.05Å
320	P	92.8	Very high	93.2	Very high	81 Å²	81	68.3 Å²	68.3	53%	0.526	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-61.6	142.1	-178.7	-24	33.8	0	0	0	112.8	S322 A323	P320-S322 PolarHBondContact O-N 2.69Å; P320-S322 VanDerWaalsContact O-N 3.13Å; P320-A323 VanDerWaalsContact O-CB 3.3Å; P320-A323 WeakPolarHBondContact O-CB 3.48Å; P320-A323 PolarHBondContact O-N 3.4Å
321	S	89.1	Confident	93.2	Very high	116 Å²	116	64 Å²	64	81%	0.811	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.9	177.3	66	0	0	0	0	114.4	R306	R306-S321 PolarHBondContact NH1-O 2.95Å
322	S	88.3	Confident	93.2	Very high	112 Å²	112	72.3 Å²	72.3	78%	0.783	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-14.2	174.2	51.7	0	0	0	0	113.7	P320	P320-S322 PolarHBondContact O-N 2.69Å; P320-S322 VanDerWaalsContact O-N 3.13Å
323	A	89.3	Confident	93.3	Very high	29 Å²	29	70 Å²	70	24%	0.24	43%	0.429	C	S	.	.	S	Bend	trans	-61.3	149.2	176.8	0	0	0	0	0	110.4	R306 V319 P320	R306-A323 PolarHBondContact NH1-O 2.98Å; R306-A323 PolarHBondContact NH2-O 3.03Å; V319-A323 HydrophobicContact CG1-CB 4.05Å; P320-A323 VanDerWaalsContact O-CB 3.3Å; P320-A323 WeakPolarHBondContact O-CB 3.48Å; P320-A323 PolarHBondContact O-N 3.4Å
324	P	88.8	Confident	93.4	Very high	92 Å²	92	66.8 Å²	66.8	60%	0.597	40%	0.401	S	S	*	.			trans	-58.7	158.1	176	-23.9	34.6	0	0	0	113.6	E326	P324-E326 PolarHBondContact O-N 3.27Å; P324-E326 VanDerWaalsContact O-N 3.08Å
325	V	90.1	Very high	93.5	Very high	10 Å²	10	66.7 Å²	66.7	6%	0.061	40%	0.4	C	S	.	.			trans	-74	99.7	171.2	-178.6	0	0	0	0	107.5	D113 Y116 K213 R306	D113-V325 VanDerWaalsContact OD2-CB 3.27Å; D113-V325 WeakPolarHBondContact OD2-CB 3.24Å; D113-V325 VanDerWaalsContact OD2-CG2 3.29Å; D113-V325 WeakPolarHBondContact OD2-CG2 3.42Å; D113-V325 PolarHBondContact OD2-N 3Å; Y116-V325 HydrophobicContact CD1-CG1 4.01Å; Y116-V325 HydrophobicContact CE1-CG1 3.39Å; Y116-V325 HydrophobicContact CE2-CG1 4.15Å; Y116-V325 VanDerWaalsContact CZ-CG1 3.47Å; K213-V325 WeakPolarHBondContact CE-O 3.15Å; K213-V325 PolarHBondContact NZ-O 2.85Å; R306-V325 HydrophobicContact CG-CG2 4.43Å
326	E	89.6	Confident	93.2	Very high	103 Å²	103	66.6 Å²	66.6	48%	0.481	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-99.6	131.3	174.5	-69.2	177.2	-177.9	0	0	110.4	Y116 K245 P324	Y116-E326 WeakPolarHBondContact CE1-O 3.24Å; K245-E326 IonicContact NZ-OE2 3.15Å; K245-E326 PolarHBondContact NZ-OE2 3.03Å; P324-E326 PolarHBondContact O-N 3.27Å; P324-E326 VanDerWaalsContact O-N 3.08Å
327	G	94.4	Very high	92.4	Very high	30 Å²	30	69.9 Å²	69.9	31%	0.309	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-72.5	156.6	170.9	0	0	0	0	0	111.6	Y214	Y214-G327 CarbonylContact O-C 3.42Å; Y214-G327 VanDerWaalsContact O-CA 3.3Å; Y214-G327 WeakPolarHBondContact O-CA 3.37Å
328	A	97.3	Very high	90.6	Very high	13 Å²	13	79 Å²	79	11%	0.107	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-63.1	143.3	165.9	0	0	0	0	0	109.9	Y214	Y214-A328 HydrophobicContact CD1-CB 4.13Å; Y214-A328 HydrophobicContact CD2-CB 4.32Å; Y214-A328 HydrophobicContact CE1-CB 3.62Å; Y214-A328 WeakPolarHBondContact CE1-O 3.02Å; Y214-A328 HydrophobicContact CE2-CB 3.85Å; Y214-A328 HydrophobicContact CG-CB 4.46Å; Y214-A328 VanDerWaalsContact CZ-CB 3.49Å; Y214-A328 PolarHBondContact O-N 2.93Å
329	P	97.8	Very high	90.3	Very high	63 Å²	63	78.9 Å²	78.9	41%	0.409	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-64.4	159.6	176.3	29.3	-36.9	0	0	0	110.9	Y214 Q241 F242	Y214-P329 PolarHBondContact OH-O 2.88Å; Y214-P329 VanDerWaalsContact OH-O 3.12Å; Q241-P329 HydrophobicContact CB-CG 4.26Å; F242-P329 HydrophobicContact CB-CG 4.38Å
330	P	98.1	Very high	90	Very high	53 Å²	53	81.6 Å²	81.6	34%	0.344	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-47.4	129.8	171.7	-25	28.6	0	0	0	111.9	G209 T210 R332	G209-P330 WeakPolarHBondContact O-CG 3.11Å; T210-P330 HydrophobicContact CG2-CB 4.13Å; T210-P330 HydrophobicContact CG2-CG 4.1Å; P330-R332 PolarHBondContact O-N 3.14Å
331	P	97.4	Very high	89.9	Confident	3 Å²	3	81.6 Å²	81.6	2%	0.019	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-65.6	135	-179.8	29.1	-35.4	0	0	0	109.9	V200 L203 Q204 L208 F242	V200-P331 HydrophobicContact CG1-CB 4.4Å; L203-P331 HydrophobicContact CB-CB 4.01Å; L203-P331 HydrophobicContact CB-CG 3.55Å; L203-P331 HydrophobicContact CD1-CB 3.89Å; L203-P331 HydrophobicContact CD1-CG 4.34Å; Q204-P331 HydrophobicContact CG-CG 3.9Å; Q204-P331 PolarHBondContact NE2-O 3.43Å; L208-P331 WeakPolarHBondContact O-CD 3.44Å; F242-P331 HydrophobicContact CD1-CB 3.86Å; F242-P331 HydrophobicContact CE1-CB 4.22Å; F242-P331 HydrophobicContact CG-CB 4.13Å
332	R	96.9	Very high	89.9	Confident	192 Å²	192	79.6 Å²	79.6	73%	0.725	44%	0.436	S	S	*	.			trans	-141.7	146	176.3	-65.1	-173	-177.8	-162.7	-0.3	108.9	P330	P330-R332 PolarHBondContact O-N 3.14Å
333	N	94.6	Very high	90	Very high	64 Å²	64	77.6 Å²	77.6	34%	0.342	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-60.6	129.4	171.4	-74.1	-49.3	0	0	0	109.7	H197 V200	H197-N333 WeakPolarHBondContact CA-OD1 3.29Å; H197-N333 PolarHBondContact CD2-ND2 2.97Å; H197-N333 PolarHBondContact NE2-ND2 3.2Å; V200-N333 WeakPolarHBondContact CG2-OD1 3.02Å
334	P	92.8	Very high	90.1	Very high	26 Å²	26	80.8 Å²	80.8	17%	0.169	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-68.9	144	175.8	28.7	-32.7	0	0	0	110.2	L196 I237 R238	L196-P334 HydrophobicContact CD2-CG 3.79Å; I237-P334 HydrophobicContact CB-CG 4.28Å; I237-P334 HydrophobicContact CD1-CG 3.93Å; I237-P334 HydrophobicContact CG1-CG 4.44Å; R238-P334 HydrophobicContact CB-CB 4.14Å; R238-P334 WeakPolarHBondContact O-CB 3.34Å; R238-P334 WeakPolarHBondContact O-CG 3.43Å
335	G	88.4	Confident	90.2	Very high	43 Å²	43	80 Å²	80	44%	0.443	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-70.1	164.8	168	0	0	0	0	0	111.8	R238	R238-G335 WeakPolarHBondContact CB-O 3.5Å; R238-G335 WeakPolarHBondContact CG-O 3.5Å; R238-G335 PolarHBondContact N-O 3.45Å
336	N	86	Confident	90.2	Very high	129 Å²	129	85.4 Å²	85.4	69%	0.69	44%	0.441	S	S	*	.	B	Isolated β-bridge	trans	-60.1	150.2	174.6	-65.4	-16.1	0	0	0	111.2	R238	R238-N336 PolarHBondContact NE-O 3.05Å
337	R	79.8	Confident	90.2	Very high	144 Å²	144	83.9 Å²	83.9	54%	0.543	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-98.3	119.9	169.1	-171.5	175.6	-179	177.1	-2.1	107.1	R236 R238	R236-R337 WeakPolarHBondContact O-CB 3.38Å; R236-R337 PolarHBondContact O-N 3.43Å; R238-R337 HydrophobicContact CG-CB 4.35Å
338	E	59.2	Low	89.8	Confident	247 Å²	247	88.8 Å²	88.8	100%	1.154	45%	0.45	S	S	*	.			trans	-61.5	0	172.2	-68.8	176.8	176.9	0	0	111.7

Retrieved 338 of 338 residues in 474.2 ms (Link to these results)

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