A0A087XHP9_POEFO Loading...

glycine hydroxymethyltransferase

Interconversion of serine and glycine.

AlphaFold DB (A0A3B3VPV4), UniProt , Accession A0A087XHP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 501 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	32.7	Very low	232 Å²	232	171.1 Å²	171.1	100%	1.143	85%	0.852	S	S	*	*				0	91.8	0	-67.6	-177.9	-164.4	0	0	107
2	L	34.5	Very low	32.9	Very low	171 Å²	171	167.3 Å²	167.3	90%	0.895	85%	0.849	S	S	*	*				68.9	90.8	111.5	-76.9	154.2	0	0	0	111.4
3	S	28.6	Very low	32.8	Very low	97 Å²	97	167.8 Å²	167.8	68%	0.678	85%	0.853	S	S	*	*				83.6	113	55.1	-160.5	0	0	0	0	115.3
4	F	28.5	Very low	32.7	Very low	199 Å²	199	165.3 Å²	165.3	87%	0.873	86%	0.857	S	S	*	*			trans	36.7	134.5	140.8	-76.4	-92.1	0	0	0	122.1
5	A	32.7	Very low	32.6	Very low	93 Å²	93	166.9 Å²	166.9	77%	0.769	86%	0.859	S	S	*	*				158.2	140.5	96.2	0	0	0	0	0	114.2
6	F	37.7	Very low	32.7	Very low	202 Å²	202	171.3 Å²	171.3	89%	0.886	86%	0.861	S	S	*	*			trans	-59.9	153.4	161.8	-100.8	-102.3	0	0	0	113
7	K	32.3	Very low	32.8	Very low	213 Å²	213	168.6 Å²	168.6	93%	0.926	86%	0.859	S	S	*	*			trans	-165.7	146.6	139.8	-109.8	170.4	-171.4	-176	0	114.6
8	Q	30.6	Very low	32.7	Very low	166 Å²	166	165.4 Å²	165.4	78%	0.776	85%	0.854	S	S	*	*			trans	-87	172.9	-176.4	-97.3	178.2	-19.8	0	0	114.4
9	L	29.1	Very low	32.7	Very low	144 Å²	144	165.9 Å²	165.9	75%	0.754	86%	0.856	S	S	*	*			trans	77.6	143.7	153.2	-72.3	145.4	0	0	0	115.5
10	T	33.6	Very low	32.6	Very low	125 Å²	125	169.5 Å²	169.5	77%	0.767	86%	0.858	S	S	*	*			cis	-164.3	162	32.6	21.5	0	0	0	0	110.5
11	R	31.9	Very low	32.6	Very low	240 Å²	240	169.5 Å²	169.5	91%	0.906	86%	0.86	S	S	*	*			trans	-65.4	164.4	165.1	-77.8	179.9	170.8	-179	-2.9	112.9
12	P	35.6	Very low	32.2	Very low	125 Å²	125	163.8 Å²	163.8	81%	0.812	84%	0.843	S	S	*	*			trans	-126.2	152.1	132.8	32.2	-18.8	0	0	0	114.3
13	L	31.4	Very low	32.2	Very low	174 Å²	174	161.5 Å²	161.5	91%	0.911	84%	0.835	S	S	*	*			trans	-69.2	150.4	172.3	-73.6	129.7	0	0	0	111.9
14	C	30.7	Very low	32.3	Very low	133 Å²	133	167.5 Å²	167.5	90%	0.899	84%	0.843	S	S	*	*			trans	-128.4	140.9	157.4	-148.9	0	0	0	0	110.7
15	Q	32	Very low	32.6	Very low	190 Å²	190	168.6 Å²	168.6	89%	0.888	84%	0.843	S	S	*	*			trans	-88	165.1	-165.6	-70.1	174.7	-23.9	0	0	113.5
16	R	33.4	Very low	32.6	Very low	236 Å²	236	171.7 Å²	171.7	89%	0.891	84%	0.841	S	S	*	*			trans	-64.4	170.6	-177.9	-60	175.5	170.5	177	-4	114.1
17	P	35.4	Very low	32.4	Very low	127 Å²	127	169.8 Å²	169.8	83%	0.825	84%	0.835	S	S	*	*				-140.4	162.7	94.8	33.3	-16.2	0	0	0	116.2
18	S	31.2	Very low	33.1	Very low	111 Å²	111	165.1 Å²	165.1	78%	0.776	83%	0.83	S	S	*	*			trans	-68.2	139.4	-179.9	50	0	0	0	0	114.9
19	I	33.1	Very low	33.4	Very low	174 Å²	174	165.9 Å²	165.9	89%	0.892	83%	0.833	S	S	*	*			trans	-132.4	139.8	160.1	-62.7	-177.7	0	0	0	110.1
20	R	30.6	Very low	33.9	Very low	238 Å²	238	163.5 Å²	163.5	90%	0.898	83%	0.834	S	S	*	*			trans	-69.7	148.6	-162.6	-68.3	169.8	169.7	-178.4	-4.4	114.5
21	L	31.9	Very low	34.2	Very low	170 Å²	170	161.6 Å²	161.6	89%	0.89	83%	0.831	S	S	*	*			trans	-59.4	131.2	160.5	-86.8	124.2	0	0	0	110.9
22	S	30.8	Very low	34.6	Very low	112 Å²	112	156.3 Å²	156.3	78%	0.783	83%	0.826	S	S	*	*			trans	-133.7	120.6	153.1	65.6	0	0	0	0	108.6
23	V	35.5	Very low	34.9	Very low	123 Å²	123	161 Å²	161	75%	0.745	83%	0.827	S	S	*	*			trans	-79.2	120.3	173.3	174.1	0	0	0	0	106.9
24	R	31.2	Very low	35.4	Very low	222 Å²	222	158.3 Å²	158.3	84%	0.838	82%	0.818	S	S	*	*			trans	-121	107.6	161.2	-92.2	-174.3	176.2	-174.2	-0.5	108.8
25	Y	33.7	Very low	36.1	Very low	223 Å²	223	157.5 Å²	157.5	88%	0.875	81%	0.809	S	S	*	*			trans	-70	119.1	161.2	-128.6	-100.2	0	0	0	107.3
26	Q	34	Very low	36.9	Very low	157 Å²	157	154.4 Å²	154.4	73%	0.734	80%	0.798	S	S	*	*			trans	-145	101.5	165.2	-113.6	174.7	-15.3	0	0	109.9
27	Q	33	Very low	37.8	Very low	162 Å²	162	152.5 Å²	152.5	76%	0.757	80%	0.799	S	S	*	*			trans	40.8	113.1	142.9	-73.7	169.6	-35.6	0	0	118.5	H29	Q27-H29 PolarHBondContact O-N 3.02Å; Q27-H29 VanDerWaalsContact O-N 3.14Å
28	S	45.8	Very low	38.9	Very low	116 Å²	116	153.5 Å²	153.5	81%	0.811	80%	0.798	S	S	*	*			trans	-37.4	107.6	153.6	51.8	0	0	0	0	113.3
29	H	36.7	Very low	40.5	Very low	181 Å²	181	151.8 Å²	151.8	84%	0.838	80%	0.798	S	S	*	*			trans	-105	105.2	140.3	-86.8	-61.7	0	0	0	106.6	Q27 A31	Q27-H29 PolarHBondContact O-N 3.02Å; Q27-H29 VanDerWaalsContact O-N 3.14Å; H29-A31 PolarHBondContact O-N 2.82Å
30	A	40.7	Very low	42.8	Very low	95 Å²	95	147.7 Å²	147.7	79%	0.785	79%	0.785	S	S	*	*			trans	-59.2	93.5	157.1	0	0	0	0	0	106.1	T32	A30-T32 PolarHBondContact O-N 3Å
31	A	38.8	Very low	45.7	Very low	85 Å²	85	146.2 Å²	146.2	70%	0.702	78%	0.779	S	S	*	*			trans	-64.5	99.3	158.5	0	0	0	0	0	104.6	H29 R33	H29-A31 PolarHBondContact O-N 2.82Å; A31-R33 PolarHBondContact O-N 2.91Å
32	T	41.2	Very low	48.8	Very low	129 Å²	129	141.7 Å²	141.7	79%	0.791	76%	0.759	S	S	*	*			trans	-47.8	94.8	148.9	21.8	0	0	0	0	105.8	A30 T34	A30-T32 PolarHBondContact O-N 3Å; T32-T34 PolarHBondContact O-N 2.88Å
33	R	41.3	Very low	51.9	Low	224 Å²	224	139.1 Å²	139.1	85%	0.845	75%	0.75	S	S	*	*			trans	-58.2	97.4	150.5	-81.8	-178.4	173.5	174.9	-3.3	103.4	A31 V35	A31-R33 PolarHBondContact O-N 2.91Å; R33-V35 HydrophobicContact CB-CG2 4.39Å; R33-V35 PolarHBondContact O-N 3.09Å
34	T	41.8	Very low	54.8	Low	116 Å²	116	141.3 Å²	141.3	71%	0.712	75%	0.752	S	S	*	*			trans	-53.5	92.9	139.8	45.7	0	0	0	0	103.7	T32 D36	T32-T34 PolarHBondContact O-N 2.88Å; T34-D36 PolarHBondContact O-N 2.68Å
35	V	46.8	Very low	57.9	Low	117 Å²	117	133.7 Å²	133.7	71%	0.709	73%	0.726	S	S	*	*			trans	-58.1	100.8	155	-178.6	0	0	0	0	100.9	R33 E37	R33-V35 HydrophobicContact CB-CG2 4.39Å; R33-V35 PolarHBondContact O-N 3.09Å; V35-E37 PolarHBondContact O-N 3.03Å; V35-E37 VanDerWaalsContact O-N 3.08Å
36	D	47.7	Very low	60.9	Low	124 Å²	124	125.6 Å²	125.6	66%	0.663	70%	0.702	S	S	*	*			trans	-44.9	122.7	156.6	-81.1	-37.1	0	0	0	104	T34 D38	T34-D36 PolarHBondContact O-N 2.68Å; D36-D38 PolarHBondContact O-N 3.21Å
37	E	52	Low	64	Low	196 Å²	196	121.6 Å²	121.6	92%	0.916	69%	0.685	S	S	*	*			trans	-64.2	67.8	169.6	-69.8	-178.2	153.4	0	0	107.1	V35 G39	V35-E37 PolarHBondContact O-N 3.03Å; V35-E37 VanDerWaalsContact O-N 3.08Å; E37-G39 VanDerWaalsContact C-N 3.32Å; E37-G39 PolarHBondContact O-N 3.29Å
38	D	58.6	Low	67	Low	148 Å²	148	115.7 Å²	115.7	79%	0.791	66%	0.664	S	S	*	*			trans	-60.6	102.2	162.6	-101.4	-14.9	0	0	0	104	D36 S40	D36-D38 PolarHBondContact O-N 3.21Å; D38-S40 PolarHBondContact O-N 2.78Å
39	G	66.1	Low	69.4	Low	76 Å²	76	117.2 Å²	117.2	78%	0.784	66%	0.659	S	S	*	*			trans	-46.1	117.9	177.8	0	0	0	0	0	109.1	E37 W41	E37-G39 VanDerWaalsContact C-N 3.32Å; E37-G39 PolarHBondContact O-N 3.29Å; G39-W41 PolarHBondContact O-N 3.34Å
40	S	80.4	Confident	72.3	Confident	88 Å²	88	113.3 Å²	113.3	62%	0.615	64%	0.644	S	S	*	*			trans	-61.1	128.7	-179.2	57.5	0	0	0	0	109.4	D38 T42	D38-S40 PolarHBondContact O-N 2.78Å; S40-T42 WeakPolarHBondContact O-CG2 3.45Å; S40-T42 PolarHBondContact O-N 3.16Å
41	W	92.4	Very high	75.1	Confident	206 Å²	206	111.7 Å²	111.7	78%	0.78	62%	0.622	S	S	*	*			trans	-62	109.5	173.8	-175	73.8	0	0	0	110.3	G39 E45	G39-W41 PolarHBondContact O-N 3.34Å; W41-E45 WeakPolarHBondContact CA-OE1 3.49Å
42	T	95.8	Very high	77.9	Confident	76 Å²	76	111.5 Å²	111.5	47%	0.466	61%	0.614	S	S	.	*			trans	-104.9	-20.3	-174.2	59.9	0	0	0	0	113.2	S40 Q44 E45	S40-T42 WeakPolarHBondContact O-CG2 3.45Å; S40-T42 PolarHBondContact O-N 3.16Å; T42-Q44 VanDerWaalsContact C-N 3.29Å; T42-Q44 PolarHBondContact OG1-N 2.75Å; T42-E45 PolarHBondContact N-OE1 3.13Å; T42-E45 PolarHBondContact OG1-OE1 3.14Å; T42-E45 PolarHBondContact OG1-OE2 3.44Å
43	G	95.8	Very high	80.6	Confident	57 Å²	57	112.6 Å²	112.6	59%	0.588	61%	0.61	S	S	*	*	S	Bend	trans	72.6	23.6	-169.1	0	0	0	0	0	112.9	E45	G43-E45 VanDerWaalsContact CA-OE2 3.24Å; G43-E45 WeakPolarHBondContact CA-OE2 3.28Å; G43-E45 PolarHBondContact N-OE2 2.93Å
44	Q	96.5	Very high	83.4	Confident	170 Å²	170	105.9 Å²	105.9	79%	0.794	59%	0.589	S	S	*	*			trans	-124.9	-1.1	178.6	-57.9	-178.9	33.5	0	0	112.7	T42	T42-Q44 VanDerWaalsContact C-N 3.29Å; T42-Q44 PolarHBondContact OG1-N 2.75Å
45	E	96.6	Very high	86.1	Confident	62 Å²	62	102.8 Å²	102.8	29%	0.29	56%	0.564	S	S	.	*	S	Bend	trans	-59	145.1	173.8	-58.2	76.4	-167.1	0	0	109.8	W41 T42 G43 D50	W41-E45 WeakPolarHBondContact CA-OE1 3.49Å; T42-E45 PolarHBondContact N-OE1 3.13Å; T42-E45 PolarHBondContact OG1-OE1 3.14Å; T42-E45 PolarHBondContact OG1-OE2 3.44Å; G43-E45 VanDerWaalsContact CA-OE2 3.24Å; G43-E45 WeakPolarHBondContact CA-OE2 3.28Å; G43-E45 PolarHBondContact N-OE2 2.93Å; E45-D50 HydrophobicContact CB-CB 4Å
46	S	97.4	Very high	88.5	Confident	52 Å²	52	99.2 Å²	99.2	36%	0.364	55%	0.547	S	S	.	.			trans	-72	149.5	172.8	71.6	0	0	0	0	110.2	A48 E49 D50	S46-A48 PolarHBondContact O-N 2.81Å; S46-A48 VanDerWaalsContact O-N 3.14Å; S46-E49 WeakPolarHBondContact CB-OE2 3.36Å; S46-E49 PolarHBondContact N-OE2 3.14Å; S46-E49 PolarHBondContact O-N 2.81Å; S46-E49 VanDerWaalsContact OG-CG 3.29Å; S46-E49 WeakPolarHBondContact OG-CG 3.44Å; S46-E49 PolarHBondContact OG-N 3.35Å; S46-E49 PolarHBondContact OG-OE2 2.94Å; S46-D50 PolarHBondContact O-N 3.42Å
47	L	97.9	Very high	91	Very high	73 Å²	73	97.6 Å²	97.6	38%	0.382	54%	0.538	S	S	.	.	H	α-helix	trans	-57.5	-32.4	176.4	-177.7	64.6	0	0	0	112.1	E49 D51 M54 W55 L58	L47-E49 VanDerWaalsContact C-N 3.28Å; L47-E49 PolarHBondContact O-N 2.92Å; L47-D51 HydrophobicContact CD1-CB 3.87Å; L47-D51 CarbonylContact O-C 3.59Å; L47-D51 WeakPolarHBondContact O-CA 3.35Å; L47-D51 PolarHBondContact O-N 2.93Å; L47-M54 HydrophobicContact CD1-CB 4.36Å; L47-M54 HydrophobicContact CD1-CG 4.35Å; L47-M54 HydrophobicContact CD2-CG 4.24Å; L47-W55 HydrophobicContact CD2-CE3 4.35Å; L47-L58 HydrophobicContact CD2-CD1 3.5Å; L47-L58 VanDerWaalsContact CD2-CD1 3.5Å
48	A	97.6	Very high	93.2	Very high	39 Å²	39	90.9 Å²	90.9	32%	0.322	51%	0.508	S	S	.	.	H	α-helix	trans	-66.8	-29.2	178.5	0	0	0	0	0	113.3	S46 W55	S46-A48 PolarHBondContact O-N 2.81Å; S46-A48 VanDerWaalsContact O-N 3.14Å; A48-W55 HydrophobicContact CB-CB 4.45Å; A48-W55 HydrophobicContact CB-CD2 3.96Å; A48-W55 HydrophobicContact CB-CG 3.83Å
49	E	96.4	Very high	95.1	Very high	148 Å²	148	91 Å²	91	69%	0.692	50%	0.498	S	S	*	.	H	α-helix	trans	-87.1	-45.6	176.8	-69	159.8	155.6	0	0	111.4	S46 L47	S46-E49 WeakPolarHBondContact CB-OE2 3.36Å; S46-E49 PolarHBondContact N-OE2 3.14Å; S46-E49 PolarHBondContact O-N 2.81Å; S46-E49 VanDerWaalsContact OG-CG 3.29Å; S46-E49 WeakPolarHBondContact OG-CG 3.44Å; S46-E49 PolarHBondContact OG-N 3.35Å; S46-E49 PolarHBondContact OG-OE2 2.94Å; L47-E49 VanDerWaalsContact C-N 3.28Å; L47-E49 PolarHBondContact O-N 2.92Å
50	D	97.1	Very high	96.7	Very high	98 Å²	98	94.2 Å²	94.2	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-75.8	-42.9	-174.6	-165.6	51.4	0	0	0	112.6	E45 S46	E45-D50 HydrophobicContact CB-CB 4Å; S46-D50 PolarHBondContact O-N 3.42Å
51	D	98.3	Very high	97.5	Very high	61 Å²	61	93.5 Å²	93.5	33%	0.326	48%	0.477	S	S	.	.			trans	-137.5	79	179.3	-169.4	-17.8	0	0	0	111.6	L47 E53 M54 W55	L47-D51 HydrophobicContact CD1-CB 3.87Å; L47-D51 CarbonylContact O-C 3.59Å; L47-D51 WeakPolarHBondContact O-CA 3.35Å; L47-D51 PolarHBondContact O-N 2.93Å; D51-E53 PolarHBondContact O-N 3.28Å; D51-E53 PolarHBondContact OD1-N 3.42Å; D51-M54 HydrophobicContact CB-CB 4.13Å; D51-M54 VanDerWaalsContact CG-CB 3.42Å; D51-M54 PolarHBondContact O-N 3.42Å; D51-M54 PolarHBondContact OD1-N 3.46Å; D51-M54 WeakPolarHBondContact OD2-CB 3.44Å; D51-W55 PolarHBondContact O-N 3.31Å
52	P	98.3	Very high	97.8	Very high	82 Å²	82	84.4 Å²	84.4	53%	0.532	44%	0.443	S	S	.	.	H	α-helix	trans	-64.1	-22.6	178.8	24.8	-34.5	0	0	0	113.4	A56	P52-A56 WeakPolarHBondContact O-CB 3.47Å; P52-A56 PolarHBondContact O-N 3.35Å
53	E	98.7	Very high	98	Very high	151 Å²	151	83.6 Å²	83.6	71%	0.706	44%	0.435	S	S	*	.	H	α-helix	trans	-69.1	-50.7	176.1	-177.6	175.5	-174.8	0	0	110.3	D51 W55 A56 L57	D51-E53 PolarHBondContact O-N 3.28Å; D51-E53 PolarHBondContact OD1-N 3.42Å; E53-W55 VanDerWaalsContact C-N 3.33Å; E53-W55 PolarHBondContact O-N 3.12Å; E53-A56 PolarHBondContact O-N 2.95Å; E53-L57 PolarHBondContact O-N 3.4Å; E53-L57 VanDerWaalsContact O-N 3.15Å
54	M	98.7	Very high	98.1	Very high	84 Å²	84	83.7 Å²	83.7	41%	0.414	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-42.6	175.4	-175.2	56.4	62.2	0	0	111.4	L47 D51 A56 L57 L58	L47-M54 HydrophobicContact CD1-CB 4.36Å; L47-M54 HydrophobicContact CD1-CG 4.35Å; L47-M54 HydrophobicContact CD2-CG 4.24Å; D51-M54 HydrophobicContact CB-CB 4.13Å; D51-M54 VanDerWaalsContact CG-CB 3.42Å; D51-M54 PolarHBondContact O-N 3.42Å; D51-M54 PolarHBondContact OD1-N 3.46Å; D51-M54 WeakPolarHBondContact OD2-CB 3.44Å; M54-A56 VanDerWaalsContact C-N 3.31Å; M54-A56 PolarHBondContact O-N 3.2Å; M54-L57 WeakPolarHBondContact O-CB 3.29Å; M54-L57 PolarHBondContact O-N 3.11Å; M54-L57 VanDerWaalsContact O-N 3.08Å; M54-L58 PolarHBondContact O-N 3.46Å
55	W	98.6	Very high	98.2	Very high	51 Å²	51	78 Å²	78	19%	0.193	39%	0.391	C	S	.	.	H	α-helix	trans	-57.6	-42.6	175.8	-179.3	-118.3	0	0	0	112.7	L47 A48 D51 E53 L57 L58 R59 D500 H501	L47-W55 HydrophobicContact CD2-CE3 4.35Å; A48-W55 HydrophobicContact CB-CB 4.45Å; A48-W55 HydrophobicContact CB-CD2 3.96Å; A48-W55 HydrophobicContact CB-CG 3.83Å; D51-W55 PolarHBondContact O-N 3.31Å; E53-W55 VanDerWaalsContact C-N 3.33Å; E53-W55 PolarHBondContact O-N 3.12Å; W55-L57 VanDerWaalsContact C-N 3.3Å; W55-L57 PolarHBondContact O-N 3Å; W55-L58 HydrophobicContact CE3-CD1 4.31Å; W55-L58 PolarHBondContact O-N 2.96Å; W55-R59 HydrophobicContact CZ2-CG 4.39Å; W55-R59 PolarHBondContact O-N 3.16Å; W55-D500 HydrophobicContact CH2-CB 4.26Å; W55-D500 HydrophobicContact CZ2-CB 4.34Å; W55-H501 HydrophobicContact CH2-CB 4.01Å; W55-H501 AromaticContact CH2-ND1 3.83Å; W55-H501 HydrophobicContact CZ3-CB 3.7Å; W55-H501 AromaticContact CZ3-CG 3.84Å; W55-H501 AromaticContact CZ3-ND1 3.9Å
56	A	98.7	Very high	98.3	Very high	42 Å²	42	76.4 Å²	76.4	35%	0.347	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-34.4	176.4	0	0	0	0	0	112.5	P52 E53 M54 K60	P52-A56 WeakPolarHBondContact O-CB 3.47Å; P52-A56 PolarHBondContact O-N 3.35Å; E53-A56 PolarHBondContact O-N 2.95Å; M54-A56 VanDerWaalsContact C-N 3.31Å; M54-A56 PolarHBondContact O-N 3.2Å; A56-K60 VanDerWaalsContact O-CG 3.29Å; A56-K60 WeakPolarHBondContact O-CG 3.46Å; A56-K60 PolarHBondContact O-N 3.25Å; A56-K60 VanDerWaalsContact O-N 3.13Å
57	L	98.8	Very high	98.4	Very high	90 Å²	90	76.2 Å²	76.2	47%	0.471	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-43.7	174.7	-67	175.1	0	0	0	112	E53 M54 W55 R59 K60 E61	E53-L57 PolarHBondContact O-N 3.4Å; E53-L57 VanDerWaalsContact O-N 3.15Å; M54-L57 WeakPolarHBondContact O-CB 3.29Å; M54-L57 PolarHBondContact O-N 3.11Å; M54-L57 VanDerWaalsContact O-N 3.08Å; W55-L57 VanDerWaalsContact C-N 3.3Å; W55-L57 PolarHBondContact O-N 3Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 3.45Å; L57-K60 PolarHBondContact O-N 2.9Å; L57-E61 PolarHBondContact O-N 3.41Å
58	L	98.8	Very high	98.4	Very high	55 Å²	55	73 Å²	73	29%	0.288	36%	0.362	S	S	.	.	H	α-helix	trans	-58.7	-47	175.9	-66	-176.9	0	0	0	111.4	L47 M54 W55 K60 E61 K62 H501	L47-L58 HydrophobicContact CD2-CD1 3.5Å; L47-L58 VanDerWaalsContact CD2-CD1 3.5Å; M54-L58 PolarHBondContact O-N 3.46Å; W55-L58 HydrophobicContact CE3-CD1 4.31Å; W55-L58 PolarHBondContact O-N 2.96Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 2.88Å; L58-E61 PolarHBondContact O-N 3.11Å; L58-K62 WeakPolarHBondContact O-CB 3.46Å; L58-K62 PolarHBondContact O-N 3.39Å; L58-H501 HydrophobicContact CB-CB 4.07Å; L58-H501 HydrophobicContact CD1-CB 4.31Å
59	R	98.6	Very high	98.5	Very high	151 Å²	151	71.1 Å²	71.1	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-59.8	-38.5	176.2	-79.9	-173.9	51.4	-177.7	-8.7	113.5	W55 L57 K62 D63 D500	W55-R59 HydrophobicContact CZ2-CG 4.39Å; W55-R59 PolarHBondContact O-N 3.16Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 3.45Å; R59-K62 PolarHBondContact O-N 3.28Å; R59-D63 PolarHBondContact O-N 2.91Å; R59-D500 WeakPolarHBondContact CG-O 3.37Å
60	K	98.7	Very high	98.6	Very high	142 Å²	142	64.2 Å²	64.2	62%	0.617	31%	0.314	S	S	*	.	H	α-helix	trans	-66.4	-41.8	177	-77.7	170.9	-177.8	173.2	0	111.7	A56 L57 L58 D63 R64	A56-K60 VanDerWaalsContact O-CG 3.29Å; A56-K60 WeakPolarHBondContact O-CG 3.46Å; A56-K60 PolarHBondContact O-N 3.25Å; A56-K60 VanDerWaalsContact O-N 3.13Å; L57-K60 PolarHBondContact O-N 2.9Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 2.88Å; K60-D63 PolarHBondContact O-N 3.11Å; K60-R64 PolarHBondContact O-N 2.94Å
61	E	98.8	Very high	98.7	Very high	73 Å²	73	59.5 Å²	59.5	34%	0.341	29%	0.289	S	S	.	.	H	α-helix	trans	-68.7	-39	175.8	176.2	54.1	-160.4	0	0	111.4	L57 L58 D63 R64 Q65	L57-E61 PolarHBondContact O-N 3.41Å; L58-E61 PolarHBondContact O-N 3.11Å; E61-D63 PolarHBondContact O-N 3.38Å; E61-R64 WeakPolarHBondContact O-CB 3.34Å; E61-R64 PolarHBondContact O-N 2.98Å; E61-R64 VanDerWaalsContact O-N 3.15Å; E61-R64 IonicContact OE1-CZ 2.69Å; E61-R64 IonicContact OE1-NE 3.81Å; E61-R64 PolarHBondContact OE1-NE 2.93Å; E61-R64 VanDerWaalsContact OE1-NE 3.07Å; E61-R64 IonicContact OE1-NH2 3.13Å; E61-R64 PolarHBondContact OE1-NH2 3.38Å; E61-R64 WeakPolarHBondContact OE2-CD 3.37Å; E61-R64 IonicContact OE2-CZ 3.31Å; E61-R64 IonicContact OE2-NE 3.7Å; E61-R64 PolarHBondContact OE2-NE 3.17Å; E61-Q65 WeakPolarHBondContact O-CG 3.37Å; E61-Q65 PolarHBondContact O-N 3.5Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.39Å; E61-Q65 PolarHBondContact OE1-NE2 3.49Å
62	K	98.7	Very high	98.7	Very high	16 Å²	16	57.9 Å²	57.9	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-48	173.3	-175.7	57.5	168	-154.7	0	111.8	L58 R59 R64 Q65 C66 F498 H501	L58-K62 WeakPolarHBondContact O-CB 3.46Å; L58-K62 PolarHBondContact O-N 3.39Å; R59-K62 PolarHBondContact O-N 3.28Å; K62-R64 VanDerWaalsContact C-N 3.34Å; K62-R64 PolarHBondContact O-N 2.86Å; K62-Q65 PolarHBondContact O-N 3.34Å; K62-C66 WeakPolarHBondContact O-CB 3.34Å; K62-C66 PolarHBondContact O-N 3.36Å; K62-C66 PolarHBondContact O-SG 3.3Å; K62-F498 WeakPolarHBondContact CE-O 3.33Å; K62-F498 PolarHBondContact NZ-O 2.84Å; K62-H501 PolarHBondContact NZ-O 3.14Å
63	D	98.6	Very high	98.7	Very high	58 Å²	58	54 Å²	54	31%	0.31	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-37.8	176	-175	61.7	0	0	0	112.1	R59 K60 E61 Q65 C66 R67 R491	R59-D63 PolarHBondContact O-N 2.91Å; K60-D63 PolarHBondContact O-N 3.11Å; E61-D63 PolarHBondContact O-N 3.38Å; D63-Q65 PolarHBondContact O-N 2.89Å; D63-C66 PolarHBondContact O-N 2.91Å; D63-R67 WeakPolarHBondContact O-CB 3.49Å; D63-R67 VanDerWaalsContact O-CG 3.23Å; D63-R67 WeakPolarHBondContact O-CG 2.78Å; D63-R67 PolarHBondContact O-N 3.37Å; D63-R67 WeakPolarHBondContact OD2-CD 3.35Å; D63-R67 IonicContact OD2-CZ 3.3Å; D63-R67 IonicContact OD2-NE 2.91Å; D63-R67 IonicContact OD2-NH1 2.71Å; D63-R67 PolarHBondContact OD2-NH1 2.68Å; D63-R491 IonicContact OD1-CZ 2.83Å; D63-R491 IonicContact OD1-NH1 3.75Å; D63-R491 PolarHBondContact OD1-NH1 2.86Å; D63-R491 IonicContact OD1-NH2 2.81Å; D63-R491 PolarHBondContact OD1-NH2 2.88Å; D63-R491 IonicContact OD2-NH2 3.58Å
64	R	98.8	Very high	98.7	Very high	60 Å²	60	48.3 Å²	48.3	23%	0.226	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-48.5	173.9	-170.8	-153.9	67.7	84	-3.8	111	K60 E61 K62 R67 G68 E70	K60-R64 PolarHBondContact O-N 2.94Å; E61-R64 WeakPolarHBondContact O-CB 3.34Å; E61-R64 PolarHBondContact O-N 2.98Å; E61-R64 VanDerWaalsContact O-N 3.15Å; E61-R64 IonicContact OE1-CZ 2.69Å; E61-R64 IonicContact OE1-NE 3.81Å; E61-R64 PolarHBondContact OE1-NE 2.93Å; E61-R64 VanDerWaalsContact OE1-NE 3.07Å; E61-R64 IonicContact OE1-NH2 3.13Å; E61-R64 PolarHBondContact OE1-NH2 3.38Å; E61-R64 WeakPolarHBondContact OE2-CD 3.37Å; E61-R64 IonicContact OE2-CZ 3.31Å; E61-R64 IonicContact OE2-NE 3.7Å; E61-R64 PolarHBondContact OE2-NE 3.17Å; K62-R64 VanDerWaalsContact C-N 3.34Å; K62-R64 PolarHBondContact O-N 2.86Å; R64-R67 PolarHBondContact O-N 2.9Å; R64-G68 PolarHBondContact O-N 2.88Å; R64-E70 IonicContact CZ-OE2 3.39Å; R64-E70 IonicContact NH1-OE2 2.88Å; R64-E70 PolarHBondContact NH1-OE2 3.28Å; R64-E70 IonicContact NH2-OE2 2.84Å; R64-E70 PolarHBondContact NH2-OE2 3.38Å
65	Q	98.8	Very high	98.7	Very high	49 Å²	49	47.6 Å²	47.6	23%	0.229	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-41.2	179.3	-68.5	178	18.3	0	0	111.7	E61 K62 D63 F77 R431 M495	E61-Q65 WeakPolarHBondContact O-CG 3.37Å; E61-Q65 PolarHBondContact O-N 3.5Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.39Å; E61-Q65 PolarHBondContact OE1-NE2 3.49Å; K62-Q65 PolarHBondContact O-N 3.34Å; D63-Q65 PolarHBondContact O-N 2.89Å; Q65-F77 HydrophobicContact CB-CE1 4.03Å; Q65-F77 HydrophobicContact CG-CE1 4.13Å; Q65-R431 PolarHBondContact O-NH1 3.32Å; Q65-R431 VanDerWaalsContact O-NH1 3.17Å; Q65-M495 HydrophobicContact CB-CE 3.85Å; Q65-M495 WeakPolarHBondContact O-CE 3.41Å
66	C	98.6	Very high	98.7	Very high	29 Å²	29	46.6 Å²	46.6	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-38.8	-180	-71.4	0	0	0	0	112.6	K62 D63 R431	K62-C66 WeakPolarHBondContact O-CB 3.34Å; K62-C66 PolarHBondContact O-N 3.36Å; K62-C66 PolarHBondContact O-SG 3.3Å; D63-C66 PolarHBondContact O-N 2.91Å; C66-R431 PolarHBondContact O-NH1 2.75Å; C66-R431 PolarHBondContact O-NH2 2.99Å
67	R	98.5	Very high	98.7	Very high	49 Å²	49	45 Å²	45	19%	0.185	21%	0.211	C	C	.	.	H	α-helix	trans	-90.1	-13.4	-176.7	82.9	-167.6	-177.7	-118.6	-9.8	114.5	D63 R64 E487 A490 R491	D63-R67 WeakPolarHBondContact O-CB 3.49Å; D63-R67 VanDerWaalsContact O-CG 3.23Å; D63-R67 WeakPolarHBondContact O-CG 2.78Å; D63-R67 PolarHBondContact O-N 3.37Å; D63-R67 WeakPolarHBondContact OD2-CD 3.35Å; D63-R67 IonicContact OD2-CZ 3.3Å; D63-R67 IonicContact OD2-NE 2.91Å; D63-R67 IonicContact OD2-NH1 2.71Å; D63-R67 PolarHBondContact OD2-NH1 2.68Å; R64-R67 PolarHBondContact O-N 2.9Å; R67-E487 HydrophobicContact CB-CB 4.22Å; R67-E487 HydrophobicContact CB-CG 3.94Å; R67-E487 HydrophobicContact CG-CG 3.95Å; R67-E487 IonicContact NE-OE1 2.83Å; R67-E487 WeakPolarHBondContact O-CA 3.46Å; R67-A490 WeakPolarHBondContact O-CB 3.35Å; R67-R491 HydrophobicContact CB-CG 4.17Å; R67-R491 VanDerWaalsContact CB-CZ 3.42Å; R67-R491 VanDerWaalsContact CD-NH2 3.3Å
68	G	98.6	Very high	98.7	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	20%	0.196	C	C	.	.	S	Bend	trans	-93.3	155.2	-175.5	0	0	0	0	0	114.3	R64 S401 R431	R64-G68 PolarHBondContact O-N 2.88Å; G68-S401 CarbonylContact C-O 3.55Å; G68-S401 VanDerWaalsContact CA-O 3.25Å; G68-S401 WeakPolarHBondContact CA-O 3.49Å; G68-R431 PolarHBondContact O-NH1 3.46Å
69	L	98.9	Very high	98.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	95.1	165.6	-65	176.2	0	0	0	109.6	L71 S401 I402 T403 L428 F433 V441 F444 V486 F489 A490	L69-L71 PolarHBondContact O-N 2.79Å; L69-S401 PolarHBondContact N-O 3.43Å; L69-I402 HydrophobicContact CB-CG1 4.16Å; L69-I402 HydrophobicContact CB-CG2 4.49Å; L69-I402 HydrophobicContact CD1-CD1 4.33Å; L69-I402 HydrophobicContact CD1-CG1 4.09Å; L69-T403 PolarHBondContact O-N 2.94Å; L69-L428 HydrophobicContact CB-CD1 4.3Å; L69-L428 HydrophobicContact CD2-CD1 4Å; L69-L428 HydrophobicContact CD2-CD2 4.2Å; L69-F433 HydrophobicContact CD2-CE1 3.72Å; L69-F433 HydrophobicContact CD2-CZ 3.71Å; L69-V441 HydrophobicContact CD1-CG2 4.07Å; L69-V441 HydrophobicContact CD2-CG2 4.19Å; L69-F444 HydrophobicContact CD1-CD2 4.05Å; L69-V486 HydrophobicContact CD1-CG1 3.72Å; L69-V486 HydrophobicContact CG-CG1 3.86Å; L69-F489 HydrophobicContact CD1-CD1 4.48Å; L69-F489 HydrophobicContact CD2-CD1 4.2Å; L69-F489 HydrophobicContact CD2-CE1 4.39Å; L69-A490 HydrophobicContact CD2-CB 3.94Å; L69-A490 HydrophobicContact CG-CB 4.38Å
70	E	98.9	Very high	98.7	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	103.1	-176.9	-165.6	61.6	-101.9	0	0	111.5	R64 I72 E75 F77 T403 A427	R64-E70 IonicContact CZ-OE2 3.39Å; R64-E70 IonicContact NH1-OE2 2.88Å; R64-E70 PolarHBondContact NH1-OE2 3.28Å; R64-E70 IonicContact NH2-OE2 2.84Å; R64-E70 PolarHBondContact NH2-OE2 3.38Å; E70-I72 WeakPolarHBondContact OE1-CG1 3.5Å; E70-E75 HydrophobicContact CG-CB 4.12Å; E70-E75 WeakPolarHBondContact CG-OE2 3.37Å; E70-F77 HydrophobicContact CB-CZ 4.03Å; E70-F77 HydrophobicContact CG-CZ 4.34Å; E70-T403 WeakPolarHBondContact CA-OG1 3.33Å; E70-T403 VanDerWaalsContact OE1-CB 3.32Å; E70-T403 WeakPolarHBondContact OE1-CB 3.48Å; E70-T403 PolarHBondContact OE1-OG1 3.49Å; E70-T403 PolarHBondContact OE2-OG1 3Å; E70-A427 HydrophobicContact CB-CB 3.99Å; E70-A427 HydrophobicContact CG-CB 3.98Å
71	L	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.			trans	-110.7	7.6	-178.5	-60.8	177.1	0	0	0	113.1	L69 A73 I402 T403 A404 L423 G424 L428 F438 V441 M445	L69-L71 PolarHBondContact O-N 2.79Å; L71-A73 PolarHBondContact O-N 3.44Å; L71-A73 VanDerWaalsContact O-N 3.11Å; L71-I402 HydrophobicContact CD1-CG2 3.73Å; L71-I402 HydrophobicContact CG-CG2 4.44Å; L71-T403 CarbonylContact C-O 3.47Å; L71-T403 VanDerWaalsContact CA-O 3.31Å; L71-T403 WeakPolarHBondContact CA-O 3.32Å; L71-T403 WeakPolarHBondContact CB-O 3.44Å; L71-T403 PolarHBondContact N-O 2.88Å; L71-A404 HydrophobicContact CB-CB 4.35Å; L71-L423 HydrophobicContact CB-CD2 4.23Å; L71-L423 HydrophobicContact CD1-CD2 4.18Å; L71-L423 CarbonylContact O-C 3.37Å; L71-L423 WeakPolarHBondContact O-CA 3.16Å; L71-G424 PolarHBondContact O-N 3.2Å; L71-L428 HydrophobicContact CD2-CD1 3.62Å; L71-L428 HydrophobicContact CD2-CG 4.41Å; L71-L428 HydrophobicContact CG-CD1 4.49Å; L71-F438 HydrophobicContact CD2-CE1 4.31Å; L71-V441 HydrophobicContact CD1-CG1 3.72Å; L71-V441 HydrophobicContact CD2-CG1 4.09Å; L71-V441 HydrophobicContact CG-CG1 4.41Å; L71-M445 HydrophobicContact CD1-CG 4.41Å; L71-M445 HydrophobicContact CD1-SD 3.5Å; L71-M445 WeakPolarHBondContact CD1-SD 3.49Å
72	I	98.7	Very high	98.7	Very high	26 Å²	26	30.6 Å²	30.6	13%	0.133	16%	0.155	C	C	.	.			trans	-64.4	113.4	171.8	-60.1	-72.1	0	0	0	109.1	E70 S74 E75 T403 A404 N405	E70-I72 WeakPolarHBondContact OE1-CG1 3.5Å; I72-S74 WeakPolarHBondContact CG2-OG 3.48Å; I72-S74 PolarHBondContact O-N 2.9Å; I72-E75 HydrophobicContact CB-CB 4.11Å; I72-E75 HydrophobicContact CB-CG 3.88Å; I72-E75 HydrophobicContact CG2-CB 4.28Å; I72-E75 HydrophobicContact CG2-CG 3.71Å; I72-E75 PolarHBondContact O-N 3.35Å; I72-T403 PolarHBondContact N-O 3.02Å; I72-A404 WeakPolarHBondContact CD1-O 3.45Å; I72-N405 HydrophobicContact CD1-CB 3.7Å
73	A	98.4	Very high	98.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.1	-173.3	0	0	0	0	0	115.9	L71 H377 L378 R422	L71-A73 PolarHBondContact O-N 3.44Å; L71-A73 VanDerWaalsContact O-N 3.11Å; A73-H377 PolarHBondContact O-CD2 2.99Å; A73-H377 PolarHBondContact O-NE2 2.94Å; A73-L378 HydrophobicContact CB-CB 3.78Å; A73-L378 HydrophobicContact CB-CD2 4.19Å; A73-R422 HydrophobicContact CB-CG 4.16Å
74	S	98.1	Very high	98.7	Very high	32 Å²	32	34 Å²	34	22%	0.224	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-5.2	174.7	48.8	0	0	0	0	113.7	I72 K278	I72-S74 WeakPolarHBondContact CG2-OG 3.48Å; I72-S74 PolarHBondContact O-N 2.9Å; S74-K278 WeakPolarHBondContact O-CG 3.4Å
75	E	98.6	Very high	98.7	Very high	69 Å²	69	32 Å²	32	32%	0.322	17%	0.167	S	C	.	.			trans	-94.5	156.4	179.6	-70.7	-167.7	-171.2	0	0	112.3	E70 I72	E70-E75 HydrophobicContact CG-CB 4.12Å; E70-E75 WeakPolarHBondContact CG-OE2 3.37Å; I72-E75 HydrophobicContact CB-CB 4.11Å; I72-E75 HydrophobicContact CB-CG 3.88Å; I72-E75 HydrophobicContact CG2-CB 4.28Å; I72-E75 HydrophobicContact CG2-CG 3.71Å; I72-E75 PolarHBondContact O-N 3.35Å
76	N	98.8	Very high	98.7	Very high	30 Å²	30	32.3 Å²	32.3	16%	0.16	17%	0.169	C	C	.	.			trans	-163.7	166.7	175.6	-148	-26.2	0	0	0	109.1	K278 R281 Y347 P426 S430	N76-K278 VanDerWaalsContact CB-O 3.28Å; N76-K278 WeakPolarHBondContact CB-O 2.84Å; N76-K278 PolarHBondContact ND2-O 2.99Å; N76-R281 HydrophobicContact CB-CG 4.27Å; N76-Y347 PolarHBondContact ND2-OH 3.04Å; N76-P426 PolarHBondContact OD1-O 2.89Å; N76-S430 WeakPolarHBondContact OD1-CB 3.13Å; N76-S430 PolarHBondContact OD1-OG 3.5Å
77	F	98.8	Very high	98.7	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.039	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-103.2	116.4	177.7	-56.9	-64.2	0	0	0	110.3	Q65 E70 R281 A427 R431 M495 P496	Q65-F77 HydrophobicContact CB-CE1 4.03Å; Q65-F77 HydrophobicContact CG-CE1 4.13Å; E70-F77 HydrophobicContact CB-CZ 4.03Å; E70-F77 HydrophobicContact CG-CZ 4.34Å; F77-R281 WeakPolarHBondContact O-CD 3.29Å; F77-R281 WeakPolarHBondContact O-CG 3.42Å; F77-A427 HydrophobicContact CD2-CB 4.28Å; F77-A427 WeakPolarHBondContact CD2-O 3.32Å; F77-A427 HydrophobicContact CE2-CB 3.8Å; F77-A427 WeakPolarHBondContact CE2-O 3.49Å; F77-A427 HydrophobicContact CZ-CB 4.31Å; F77-R431 HydrophobicContact CD2-CG 3.77Å; F77-R431 HydrophobicContact CE2-CG 3.71Å; F77-M495 HydrophobicContact CB-SD 4.25Å; F77-M495 HydrophobicContact CD1-CE 4.26Å; F77-M495 HydrophobicContact CD1-SD 3.6Å; F77-M495 HydrophobicContact CD2-CE 4.48Å; F77-M495 HydrophobicContact CD2-SD 3.97Å; F77-M495 HydrophobicContact CE1-CE 3.9Å; F77-M495 HydrophobicContact CE1-SD 3.88Å; F77-M495 HydrophobicContact CE2-CE 4.14Å; F77-M495 HydrophobicContact CE2-SD 4.22Å; F77-M495 HydrophobicContact CG-SD 3.66Å; F77-M495 HydrophobicContact CZ-CE 3.84Å; F77-M495 HydrophobicContact CZ-SD 4.18Å; F77-P496 HydrophobicContact CB-CB 3.89Å; F77-P496 HydrophobicContact CB-CG 3.85Å
78	C	98.7	Very high	98.7	Very high	22 Å²	22	33.8 Å²	33.8	15%	0.149	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-67.9	148.1	-178.7	-164.1	0	0	0	0	110.9	L83	C78-L83 HydrophobicContact CB-CD1 4.34Å; C78-L83 HydrophobicContact CB-CD2 3.96Å; C78-L83 HydrophobicContact CB-CG 4.05Å
79	S	98.8	Very high	98.7	Very high	17 Å²	17	38.1 Å²	38.1	12%	0.119	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-70.8	147.1	175.7	71.6	0	0	0	0	111.3	A81 A82 L83 Q338	S79-A81 VanDerWaalsContact C-N 3.26Å; S79-A81 PolarHBondContact O-N 3.03Å; S79-A82 PolarHBondContact O-N 3.35Å; S79-A82 VanDerWaalsContact O-N 3.11Å; S79-A82 PolarHBondContact OG-N 3.2Å; S79-L83 WeakPolarHBondContact O-CG 3.38Å; S79-L83 PolarHBondContact O-N 3.27Å; S79-L83 VanDerWaalsContact O-N 3.11Å; S79-Q338 PolarHBondContact OG-NE2 2.71Å; S79-Q338 PolarHBondContact OG-OE1 3.38Å
80	R	98.8	Very high	98.7	Very high	126 Å²	126	39.4 Å²	39.4	48%	0.475	23%	0.233	S	C	.	.	H	α-helix	trans	-52	-44.6	174.4	-179.3	177.9	162.6	168.4	0.9	112.2	A82 L83 E84 F498	R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 3.34Å; R80-L83 CarbonylContact O-C 3.45Å; R80-L83 PolarHBondContact O-N 3.12Å; R80-L83 VanDerWaalsContact O-N 3.08Å; R80-E84 HydrophobicContact CG-CG 4.25Å; R80-E84 IonicContact CZ-OE1 2.89Å; R80-E84 IonicContact NE-OE1 2.77Å; R80-E84 PolarHBondContact NE-OE1 3.48Å; R80-E84 IonicContact NH2-OE1 3.2Å; R80-E84 PolarHBondContact NH2-OE1 3.02Å; R80-E84 VanDerWaalsContact NH2-OE1 3.17Å; R80-E84 WeakPolarHBondContact O-CG 3.18Å; R80-E84 PolarHBondContact O-N 3.31Å; R80-F498 HydrophobicContact CG-CD1 4.03Å; R80-F498 HydrophobicContact CG-CE1 3.84Å; R80-F498 HydrophobicContact CG-CZ 4.27Å
81	A	98.8	Very high	98.7	Very high	43 Å²	43	44.1 Å²	44.1	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-37.5	179.9	0	0	0	0	0	113.5	S79 A85 V334	S79-A81 VanDerWaalsContact C-N 3.26Å; S79-A81 PolarHBondContact O-N 3.03Å; A81-A85 PolarHBondContact O-N 2.96Å; A81-V334 HydrophobicContact CB-CG1 3.92Å
82	A	98.6	Very high	98.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-73.3	-33.6	176	0	0	0	0	0	111.8	S79 R80 Q86 V334	S79-A82 PolarHBondContact O-N 3.35Å; S79-A82 VanDerWaalsContact O-N 3.11Å; S79-A82 PolarHBondContact OG-N 3.2Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 3.34Å; A82-Q86 PolarHBondContact O-N 3.22Å; A82-Q86 VanDerWaalsContact O-N 3.12Å; A82-V334 HydrophobicContact CB-CB 4.37Å; A82-V334 HydrophobicContact CB-CG1 4.16Å
83	L	98.8	Very high	98.7	Very high	58 Å²	58	52.1 Å²	52.1	30%	0.304	30%	0.299	S	S	.	.	H	α-helix	trans	-70.2	-36.8	174.6	-63.8	173.5	0	0	0	112.4	C78 S79 R80 A85 Q86 G87 F498	C78-L83 HydrophobicContact CB-CD1 4.34Å; C78-L83 HydrophobicContact CB-CD2 3.96Å; C78-L83 HydrophobicContact CB-CG 4.05Å; S79-L83 WeakPolarHBondContact O-CG 3.38Å; S79-L83 PolarHBondContact O-N 3.27Å; S79-L83 VanDerWaalsContact O-N 3.11Å; R80-L83 CarbonylContact O-C 3.45Å; R80-L83 PolarHBondContact O-N 3.12Å; R80-L83 VanDerWaalsContact O-N 3.08Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-A85 PolarHBondContact O-N 2.7Å; L83-Q86 WeakPolarHBondContact O-CB 3.26Å; L83-Q86 PolarHBondContact O-N 3.4Å; L83-Q86 VanDerWaalsContact O-N 3.16Å; L83-G87 PolarHBondContact O-N 2.89Å; L83-F498 HydrophobicContact CB-CD2 4.5Å; L83-F498 HydrophobicContact CB-CE2 3.73Å; L83-F498 HydrophobicContact CB-CZ 4.39Å; L83-F498 HydrophobicContact CD1-CD2 4.33Å; L83-F498 HydrophobicContact CD1-CE2 4.36Å
84	E	98.9	Very high	98.7	Very high	88 Å²	88	57.5 Å²	57.5	41%	0.411	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-41.9	173.3	-74.3	173.3	168.2	0	0	111.4	R80 Q86 G87 F498	R80-E84 HydrophobicContact CG-CG 4.25Å; R80-E84 IonicContact CZ-OE1 2.89Å; R80-E84 IonicContact NE-OE1 2.77Å; R80-E84 PolarHBondContact NE-OE1 3.48Å; R80-E84 IonicContact NH2-OE1 3.2Å; R80-E84 PolarHBondContact NH2-OE1 3.02Å; R80-E84 VanDerWaalsContact NH2-OE1 3.17Å; R80-E84 WeakPolarHBondContact O-CG 3.18Å; R80-E84 PolarHBondContact O-N 3.31Å; E84-Q86 VanDerWaalsContact C-N 3.34Å; E84-Q86 PolarHBondContact O-N 3.37Å; E84-G87 PolarHBondContact O-N 3.46Å; E84-F498 HydrophobicContact CG-CE1 3.93Å; E84-F498 HydrophobicContact CG-CZ 3.67Å
85	A	98.8	Very high	98.7	Very high	18 Å²	18	56 Å²	56	15%	0.149	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-36.9	173.7	0	0	0	0	0	112.5	A81 L83 G87 S88 A330 V334	A81-A85 PolarHBondContact O-N 2.96Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-A85 PolarHBondContact O-N 2.7Å; A85-G87 VanDerWaalsContact C-N 3.34Å; A85-G87 PolarHBondContact O-N 3.44Å; A85-S88 WeakPolarHBondContact O-CB 3.47Å; A85-S88 PolarHBondContact O-N 3.01Å; A85-S88 PolarHBondContact O-OG 3.21Å; A85-A330 HydrophobicContact CB-CB 4.13Å; A85-V334 HydrophobicContact CB-CG2 4.42Å
86	Q	98.1	Very high	98.7	Very high	56 Å²	56	54.1 Å²	54.1	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-38.4	177.2	-170	74.6	25	0	0	112.1	A82 L83 E84 S88 S283 H327 A328	A82-Q86 PolarHBondContact O-N 3.22Å; A82-Q86 VanDerWaalsContact O-N 3.12Å; L83-Q86 WeakPolarHBondContact O-CB 3.26Å; L83-Q86 PolarHBondContact O-N 3.4Å; L83-Q86 VanDerWaalsContact O-N 3.16Å; E84-Q86 VanDerWaalsContact C-N 3.34Å; E84-Q86 PolarHBondContact O-N 3.37Å; Q86-S88 VanDerWaalsContact C-N 3.31Å; Q86-S88 PolarHBondContact O-N 3.33Å; Q86-S283 VanDerWaalsContact OE1-CB 3.3Å; Q86-H327 PolarHBondContact NE2-CD2 3.24Å; Q86-H327 VanDerWaalsContact NE2-CD2 3.31Å; Q86-H327 PolarHBondContact NE2-NE2 3.39Å; Q86-H327 PolarHBondContact O-CD2 3.08Å; Q86-H327 VanDerWaalsContact O-CD2 3.24Å; Q86-A328 VanDerWaalsContact OE1-CA 3.29Å
87	G	98.4	Very high	98.7	Very high	73 Å²	73	52.8 Å²	52.8	75%	0.753	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	21.5	178.9	0	0	0	0	0	115	L83 E84 A85	L83-G87 PolarHBondContact O-N 2.89Å; E84-G87 PolarHBondContact O-N 3.46Å; A85-G87 VanDerWaalsContact C-N 3.34Å; A85-G87 PolarHBondContact O-N 3.44Å
88	S	98.8	Very high	98.7	Very high	35 Å²	35	54.4 Å²	54.4	25%	0.245	30%	0.3	C	S	.	.	S	Bend	trans	-95.5	171.8	-173.8	72.3	0	0	0	0	114	A85 Q86 L90 N91	A85-S88 WeakPolarHBondContact O-CB 3.47Å; A85-S88 PolarHBondContact O-N 3.01Å; A85-S88 PolarHBondContact O-OG 3.21Å; Q86-S88 VanDerWaalsContact C-N 3.31Å; Q86-S88 PolarHBondContact O-N 3.33Å; S88-L90 PolarHBondContact O-N 3.24Å; S88-L90 WeakPolarHBondContact OG-CG 3.2Å; S88-N91 PolarHBondContact O-N 3.33Å
89	C	98.8	Very high	98.7	Very high	95 Å²	95	54.7 Å²	54.7	64%	0.642	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-61.8	-10.5	177.6	67	0	0	0	0	114.7	N91 N92	C89-N91 PolarHBondContact O-N 3.21Å; C89-N91 VanDerWaalsContact O-N 3.12Å; C89-N92 VanDerWaalsContact O-CB 3.3Å; C89-N92 WeakPolarHBondContact O-CB 3.39Å; C89-N92 PolarHBondContact O-N 2.98Å
90	L	98.9	Very high	98.7	Very high	27 Å²	27	57.1 Å²	57.1	14%	0.141	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-59.6	-21.1	174.4	-63.8	175.8	0	0	0	112.7	S88 N92 K93 V110 I113 N326 H327 A330	S88-L90 PolarHBondContact O-N 3.24Å; S88-L90 WeakPolarHBondContact OG-CG 3.2Å; L90-N92 PolarHBondContact O-N 3.1Å; L90-K93 PolarHBondContact O-N 2.88Å; L90-V110 HydrophobicContact CD2-CG1 4.22Å; L90-I113 HydrophobicContact CD1-CD1 3.8Å; L90-I113 HydrophobicContact CD2-CD1 3.42Å; L90-I113 VanDerWaalsContact CD2-CD1 3.42Å; L90-I113 HydrophobicContact CG-CD1 4.27Å; L90-N326 HydrophobicContact CB-CB 4.11Å; L90-H327 HydrophobicContact CB-CB 3.94Å; L90-A330 HydrophobicContact CD1-CB 3.34Å
91	N	98.8	Very high	98.6	Very high	102 Å²	102	60.9 Å²	60.9	55%	0.545	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-58.2	-27.2	171.4	-172.9	70	0	0	0	112.9	S88 C89 H327	S88-N91 PolarHBondContact O-N 3.33Å; C89-N91 PolarHBondContact O-N 3.21Å; C89-N91 VanDerWaalsContact O-N 3.12Å; N91-H327 HydrophobicContact CB-CB 4.41Å; N91-H327 PolarHBondContact OD1-CE1 3.47Å
92	N	98.8	Very high	98.6	Very high	135 Å²	135	60.6 Å²	60.6	72%	0.722	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-82.2	-17.4	-172.2	-56.1	-18.2	0	0	0	113.1	C89 L90	C89-N92 VanDerWaalsContact O-CB 3.3Å; C89-N92 WeakPolarHBondContact O-CB 3.39Å; C89-N92 PolarHBondContact O-N 2.98Å; L90-N92 PolarHBondContact O-N 3.1Å
93	K	98.8	Very high	98.6	Very high	60 Å²	60	68.2 Å²	68.2	26%	0.261	36%	0.364	S	S	.	.			trans	-92.9	119	-172.9	-172	65.4	-178.6	103.6	0	112.1	L90 G105 G106 V110 N326	L90-K93 PolarHBondContact O-N 2.88Å; K93-G105 WeakPolarHBondContact CE-O 3.32Å; K93-G105 PolarHBondContact NZ-O 2.93Å; K93-G106 VanDerWaalsContact CE-C 3.45Å; K93-G106 WeakPolarHBondContact CE-O 3.41Å; K93-V110 HydrophobicContact CB-CG1 4.08Å; K93-V110 HydrophobicContact CG-CG1 3.96Å; K93-V110 HydrophobicContact CG-CG2 4.12Å; K93-N326 PolarHBondContact O-ND2 2.94Å
94	Y	98.5	Very high	98.5	Very high	113 Å²	113	70.9 Å²	70.9	44%	0.443	37%	0.371	S	S	.	.			trans	-83.6	126.5	167.1	-145.1	-96.4	0	0	0	110.5	E96 Y104 G323	Y94-E96 HydrophobicContact CD1-CG 4.07Å; Y94-E96 HydrophobicContact CE1-CB 4.42Å; Y94-E96 HydrophobicContact CE1-CG 3.44Å; Y94-E96 VanDerWaalsContact CE1-CG 3.44Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.4Å; Y94-E96 WeakPolarHBondContact CE1-OE2 3.4Å; Y94-E96 PolarHBondContact OH-OE1 3.45Å; Y94-Y104 AromaticContact CD1-CD2 3.95Å; Y94-Y104 HydrophobicContact CD1-CD2 3.95Å; Y94-Y104 AromaticContact CD1-CE2 3.46Å; Y94-Y104 HydrophobicContact CD1-CE2 3.46Å; Y94-Y104 VanDerWaalsContact CD1-CE2 3.46Å; Y94-Y104 AromaticContact CD1-CZ 3.97Å; Y94-Y104 AromaticContact CE1-CE2 3.76Å; Y94-Y104 HydrophobicContact CE1-CE2 3.76Å; Y94-G323 PolarHBondContact OH-N 3.3Å
95	S	98.6	Very high	98.5	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.382	C	S	.	.			trans	-144.4	46.5	-171.5	63.5	0	0	0	0	113.4	R102 P324 N326	S95-R102 WeakPolarHBondContact O-CD 3.36Å; S95-R102 PolarHBondContact O-NH1 2.98Å; S95-P324 WeakPolarHBondContact O-CD 3.3Å; S95-N326 PolarHBondContact OG-ND2 2.83Å; S95-N326 PolarHBondContact OG-OD1 3.17Å
96	E	98.8	Very high	98.4	Very high	29 Å²	29	71.2 Å²	71.2	14%	0.136	40%	0.399	C	S	.	.			trans	-53.3	144.7	174.4	-76.8	-179.6	161	0	0	113	Y94 R102 Y103 Y104 F317 G322 G323	Y94-E96 HydrophobicContact CD1-CG 4.07Å; Y94-E96 HydrophobicContact CE1-CB 4.42Å; Y94-E96 HydrophobicContact CE1-CG 3.44Å; Y94-E96 VanDerWaalsContact CE1-CG 3.44Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.4Å; Y94-E96 WeakPolarHBondContact CE1-OE2 3.4Å; Y94-E96 PolarHBondContact OH-OE1 3.45Å; E96-R102 WeakPolarHBondContact O-CA 3.37Å; E96-R102 WeakPolarHBondContact O-CD 3.44Å; E96-Y103 HydrophobicContact CB-CD2 4.49Å; E96-Y103 PolarHBondContact O-N 2.9Å; E96-Y104 HydrophobicContact CB-CD2 4.28Å; E96-Y104 HydrophobicContact CB-CE2 3.96Å; E96-Y104 HydrophobicContact CG-CE2 4.29Å; E96-Y104 WeakPolarHBondContact OE2-CE2 3.5Å; E96-Y104 PolarHBondContact OE2-OH 2.97Å; E96-F317 HydrophobicContact CB-CE1 4.43Å; E96-F317 HydrophobicContact CB-CE2 3.73Å; E96-F317 HydrophobicContact CB-CZ 3.67Å; E96-F317 HydrophobicContact CG-CD2 4.32Å; E96-F317 HydrophobicContact CG-CE2 3.6Å; E96-F317 HydrophobicContact CG-CZ 4.06Å; E96-G322 VanDerWaalsContact OE1-CA 3.26Å; E96-G322 WeakPolarHBondContact OE1-CA 3.27Å; E96-G323 PolarHBondContact OE1-N 3.23Å
97	G	98.5	Very high	98.5	Very high	3 Å²	3	68.9 Å²	68.9	3%	0.031	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92.5	-157.3	-167.5	0	0	0	0	0	112.3	R102 Q137	G97-R102 PolarHBondContact O-NH1 3.36Å; G97-Q137 PolarHBondContact O-NE2 3.42Å; G97-Q137 VanDerWaalsContact O-NE2 3.11Å
98	Y	98.8	Very high	98.5	Very high	42 Å²	42	71.2 Å²	71.2	17%	0.165	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	164	-176.2	-69.7	-76.9	0	0	0	110.7	G100 R101 R102 N135 Q137 N313	Y98-G100 PolarHBondContact O-N 3.49Å; Y98-R101 PolarHBondContact N-O 3.32Å; Y98-R101 CarbonylContact O-C 3.5Å; Y98-R101 WeakPolarHBondContact O-CA 3.34Å; Y98-R101 PolarHBondContact O-N 2.91Å; Y98-R102 WeakPolarHBondContact O-CD 3.4Å; Y98-R102 PolarHBondContact O-NE 2.92Å; Y98-N135 WeakPolarHBondContact CE1-ND2 3.33Å; Y98-N135 PolarHBondContact OH-ND2 2.78Å; Y98-Q137 HydrophobicContact CE1-CG 4.49Å; Y98-N313 HydrophobicContact CE1-CB 4.4Å; Y98-N313 HydrophobicContact CE2-CB 3.86Å; Y98-N313 VanDerWaalsContact OH-C 3.31Å; Y98-N313 VanDerWaalsContact OH-CA 3.3Å; Y98-N313 WeakPolarHBondContact OH-CA 3.28Å; Y98-N313 PolarHBondContact OH-O 2.79Å
99	P	98.8	Very high	98.5	Very high	28 Å²	28	73.1 Å²	73.1	18%	0.182	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	130.5	179.1	-29.8	36.5	0	0	0	113.2	R101 D111 E114 L115	P99-R101 PolarHBondContact O-N 3.37Å; P99-D111 WeakPolarHBondContact CA-OD2 3.45Å; P99-D111 HydrophobicContact CB-CB 4.12Å; P99-E114 HydrophobicContact CG-CB 3.97Å; P99-E114 HydrophobicContact CG-CG 4.1Å; P99-L115 HydrophobicContact CB-CD1 3.98Å; P99-L115 HydrophobicContact CB-CD2 3.93Å; P99-L115 HydrophobicContact CB-CG 3.74Å; P99-L115 HydrophobicContact CG-CD2 4.13Å; P99-L115 HydrophobicContact CG-CG 3.93Å
100	G	98.2	Very high	98.5	Very high	69 Å²	69	68.8 Å²	68.8	71%	0.711	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-3.8	-175.3	0	0	0	0	0	115.9	Y98 D111	Y98-G100 PolarHBondContact O-N 3.49Å; G100-D111 PolarHBondContact N-OD2 3.36Å
101	R	97.9	Very high	98.5	Very high	204 Å²	204	68.7 Å²	68.7	77%	0.77	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.4	55.8	179.1	-59.4	-176.1	-169.4	174.9	4.4	110.5	Y98 P99	Y98-R101 PolarHBondContact N-O 3.32Å; Y98-R101 CarbonylContact O-C 3.5Å; Y98-R101 WeakPolarHBondContact O-CA 3.34Å; Y98-R101 PolarHBondContact O-N 2.91Å; P99-R101 PolarHBondContact O-N 3.37Å
102	R	98.4	Very high	98.5	Very high	38 Å²	38	69.8 Å²	69.8	14%	0.143	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	151.1	-179.9	-60.6	-64.9	-169.4	-174.2	-1.8	111.6	S95 E96 G97 Y98 Y104 A107 D111 E114	S95-R102 WeakPolarHBondContact O-CD 3.36Å; S95-R102 PolarHBondContact O-NH1 2.98Å; E96-R102 WeakPolarHBondContact O-CA 3.37Å; E96-R102 WeakPolarHBondContact O-CD 3.44Å; G97-R102 PolarHBondContact O-NH1 3.36Å; Y98-R102 WeakPolarHBondContact O-CD 3.4Å; Y98-R102 PolarHBondContact O-NE 2.92Å; R102-Y104 VanDerWaalsContact C-N 3.34Å; R102-Y104 WeakPolarHBondContact CB-O 3.4Å; R102-A107 HydrophobicContact CB-CB 4.4Å; R102-A107 HydrophobicContact CG-CB 3.8Å; R102-D111 IonicContact CZ-OD1 3.66Å; R102-D111 IonicContact NE-OD1 2.78Å; R102-D111 PolarHBondContact NE-OD1 3.05Å; R102-D111 IonicContact NH2-OD1 3.13Å; R102-D111 PolarHBondContact NH2-OD1 2.96Å; R102-E114 IonicContact CZ-OE2 3.94Å; R102-E114 VanDerWaalsContact CZ-OE2 3.24Å; R102-E114 IonicContact NH1-OE2 3.68Å; R102-E114 PolarHBondContact NH1-OE2 3.06Å; R102-E114 IonicContact NH2-OE2 2.93Å; R102-E114 PolarHBondContact NH2-OE2 3.11Å
103	Y	98.1	Very high	98.5	Very high	160 Å²	160	64.9 Å²	64.9	63%	0.627	34%	0.336	S	S	*	.	S	Bend	trans	-79.9	-20.6	173.2	-76.3	-108.9	0	0	0	112.5	E96 F317	E96-Y103 HydrophobicContact CB-CD2 4.49Å; E96-Y103 PolarHBondContact O-N 2.9Å; Y103-F317 AromaticContact CD2-CE1 3.98Å; Y103-F317 HydrophobicContact CD2-CE1 3.98Å; Y103-F317 HydrophobicContact CD2-CZ 4.13Å; Y103-F317 AromaticContact CE2-CE1 3.5Å; Y103-F317 HydrophobicContact CE2-CE1 3.5Å; Y103-F317 VanDerWaalsContact CE2-CE1 3.5Å; Y103-F317 AromaticContact CE2-CZ 3.94Å; Y103-F317 HydrophobicContact CE2-CZ 3.94Å
104	Y	97.8	Very high	98.5	Very high	113 Å²	113	62 Å²	62	44%	0.443	32%	0.324	S	S	.	.	S	Bend	trans	-123.4	147.5	-178.4	-55	-86.2	0	0	0	111	Y94 E96 R102	Y94-Y104 AromaticContact CD1-CD2 3.95Å; Y94-Y104 HydrophobicContact CD1-CD2 3.95Å; Y94-Y104 AromaticContact CD1-CE2 3.46Å; Y94-Y104 HydrophobicContact CD1-CE2 3.46Å; Y94-Y104 VanDerWaalsContact CD1-CE2 3.46Å; Y94-Y104 AromaticContact CD1-CZ 3.97Å; Y94-Y104 AromaticContact CE1-CE2 3.76Å; Y94-Y104 HydrophobicContact CE1-CE2 3.76Å; E96-Y104 HydrophobicContact CB-CD2 4.28Å; E96-Y104 HydrophobicContact CB-CE2 3.96Å; E96-Y104 HydrophobicContact CG-CE2 4.29Å; E96-Y104 WeakPolarHBondContact OE2-CE2 3.5Å; E96-Y104 PolarHBondContact OE2-OH 2.97Å; R102-Y104 VanDerWaalsContact C-N 3.34Å; R102-Y104 WeakPolarHBondContact CB-O 3.4Å
105	G	97.6	Very high	98.5	Very high	64 Å²	64	61 Å²	61	66%	0.66	33%	0.326	S	S	*	.	S	Bend	trans	-73.4	177.5	171.4	0	0	0	0	0	114	K93	K93-G105 WeakPolarHBondContact CE-O 3.32Å; K93-G105 PolarHBondContact NZ-O 2.93Å
106	G	98.2	Very high	98.5	Very high	49 Å²	49	64.3 Å²	64.3	51%	0.505	34%	0.343	S	S	.	.			trans	70.6	28.1	178.5	0	0	0	0	0	114.1	K93 E108	K93-G106 VanDerWaalsContact CE-C 3.45Å; K93-G106 WeakPolarHBondContact CE-O 3.41Å; G106-E108 VanDerWaalsContact CA-OE2 3.25Å; G106-E108 WeakPolarHBondContact CA-OE2 3.24Å
107	A	98.6	Very high	98.5	Very high	7 Å²	7	62.9 Å²	62.9	6%	0.058	34%	0.337	C	S	.	.			trans	-101.6	5.2	-173.4	0	0	0	0	0	113.8	R102 V109 V110 D111	R102-A107 HydrophobicContact CB-CB 4.4Å; R102-A107 HydrophobicContact CG-CB 3.8Å; A107-V109 PolarHBondContact O-N 3.24Å; A107-V109 VanDerWaalsContact O-N 3.14Å; A107-V110 HydrophobicContact CB-CG2 3.78Å; A107-V110 VanDerWaalsContact O-CG2 3.22Å; A107-V110 WeakPolarHBondContact O-CG2 3.35Å; A107-V110 PolarHBondContact O-N 3.03Å; A107-D111 WeakPolarHBondContact O-CB 3.42Å; A107-D111 VanDerWaalsContact O-CG 3.3Å; A107-D111 PolarHBondContact O-N 3.07Å
108	E	98.4	Very high	98.6	Very high	122 Å²	122	64.6 Å²	64.6	57%	0.57	34%	0.344	S	S	*	.	H	α-helix	trans	-58.4	-32.2	-171.1	66.1	-69	159.7	0	0	114	G106 Q112	G106-E108 VanDerWaalsContact CA-OE2 3.25Å; G106-E108 WeakPolarHBondContact CA-OE2 3.24Å; E108-Q112 WeakPolarHBondContact O-CG 3.23Å; E108-Q112 PolarHBondContact O-NE2 3.33Å
109	V	98.8	Very high	98.6	Very high	75 Å²	75	68.5 Å²	68.5	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-84.6	-43	176.7	-178.3	0	0	0	0	111.8	A107 D111 Q112 I113	A107-V109 PolarHBondContact O-N 3.24Å; A107-V109 VanDerWaalsContact O-N 3.14Å; V109-D111 PolarHBondContact O-N 3.13Å; V109-Q112 WeakPolarHBondContact O-CB 3.44Å; V109-Q112 PolarHBondContact O-N 2.78Å; V109-Q112 VanDerWaalsContact O-N 3.14Å; V109-I113 HydrophobicContact CG1-CD1 4.04Å; V109-I113 WeakPolarHBondContact O-CG1 3.31Å; V109-I113 PolarHBondContact O-N 3.29Å
110	V	98.8	Very high	98.6	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.03	36%	0.361	C	S	.	.	H	α-helix	trans	-67.2	-28	178.4	-67.2	0	0	0	0	112	L90 K93 A107 I113 E114 N326	L90-V110 HydrophobicContact CD2-CG1 4.22Å; K93-V110 HydrophobicContact CB-CG1 4.08Å; K93-V110 HydrophobicContact CG-CG1 3.96Å; K93-V110 HydrophobicContact CG-CG2 4.12Å; A107-V110 HydrophobicContact CB-CG2 3.78Å; A107-V110 VanDerWaalsContact O-CG2 3.22Å; A107-V110 WeakPolarHBondContact O-CG2 3.35Å; A107-V110 PolarHBondContact O-N 3.03Å; V110-I113 PolarHBondContact O-N 2.95Å; V110-E114 WeakPolarHBondContact O-CB 3.45Å; V110-E114 PolarHBondContact O-N 2.84Å; V110-N326 HydrophobicContact CG1-CB 4.07Å
111	D	98.9	Very high	98.6	Very high	24 Å²	24	66.1 Å²	66.1	13%	0.128	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-45.3	169.6	-78.3	10	0	0	0	111.6	P99 G100 R102 A107 V109 I113 E114 L115	P99-D111 WeakPolarHBondContact CA-OD2 3.45Å; P99-D111 HydrophobicContact CB-CB 4.12Å; G100-D111 PolarHBondContact N-OD2 3.36Å; R102-D111 IonicContact CZ-OD1 3.66Å; R102-D111 IonicContact NE-OD1 2.78Å; R102-D111 PolarHBondContact NE-OD1 3.05Å; R102-D111 IonicContact NH2-OD1 3.13Å; R102-D111 PolarHBondContact NH2-OD1 2.96Å; A107-D111 WeakPolarHBondContact O-CB 3.42Å; A107-D111 VanDerWaalsContact O-CG 3.3Å; A107-D111 PolarHBondContact O-N 3.07Å; V109-D111 PolarHBondContact O-N 3.13Å; D111-I113 VanDerWaalsContact C-N 3.31Å; D111-I113 PolarHBondContact O-N 3.34Å; D111-E114 PolarHBondContact O-N 3.31Å; D111-L115 WeakPolarHBondContact O-CB 3.19Å; D111-L115 VanDerWaalsContact O-CG 3.25Å; D111-L115 WeakPolarHBondContact O-CG 3.13Å; D111-L115 PolarHBondContact O-N 2.85Å
112	Q	98.9	Very high	98.7	Very high	125 Å²	125	57.3 Å²	57.3	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-61.3	-40.8	175	-69.3	169.2	52.2	0	0	111.7	E108 V109 L116	E108-Q112 WeakPolarHBondContact O-CG 3.23Å; E108-Q112 PolarHBondContact O-NE2 3.33Å; V109-Q112 WeakPolarHBondContact O-CB 3.44Å; V109-Q112 PolarHBondContact O-N 2.78Å; V109-Q112 VanDerWaalsContact O-N 3.14Å; Q112-L116 WeakPolarHBondContact O-CB 3.47Å; Q112-L116 PolarHBondContact O-N 3.44Å
113	I	98.9	Very high	98.7	Very high	32 Å²	32	59.5 Å²	59.5	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-47.1	178.7	-69.4	165.7	0	0	0	110.9	L90 V109 V110 D111 L116 C117 I329 A330	L90-I113 HydrophobicContact CD1-CD1 3.8Å; L90-I113 HydrophobicContact CD2-CD1 3.42Å; L90-I113 VanDerWaalsContact CD2-CD1 3.42Å; L90-I113 HydrophobicContact CG-CD1 4.27Å; V109-I113 HydrophobicContact CG1-CD1 4.04Å; V109-I113 WeakPolarHBondContact O-CG1 3.31Å; V109-I113 PolarHBondContact O-N 3.29Å; V110-I113 PolarHBondContact O-N 2.95Å; D111-I113 VanDerWaalsContact C-N 3.31Å; D111-I113 PolarHBondContact O-N 3.34Å; I113-L116 PolarHBondContact O-N 2.88Å; I113-C117 WeakPolarHBondContact O-CB 3.27Å; I113-C117 PolarHBondContact O-N 2.9Å; I113-I329 HydrophobicContact CG2-CG2 4.25Å; I113-A330 HydrophobicContact CG2-CB 4Å
114	E	98.9	Very high	98.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-45.3	-179.3	-167.8	177.8	159.2	0	0	111.3	P99 R102 V110 D111 L116 C117 Q118 V136 Q137	P99-E114 HydrophobicContact CG-CB 3.97Å; P99-E114 HydrophobicContact CG-CG 4.1Å; R102-E114 IonicContact CZ-OE2 3.94Å; R102-E114 VanDerWaalsContact CZ-OE2 3.24Å; R102-E114 IonicContact NH1-OE2 3.68Å; R102-E114 PolarHBondContact NH1-OE2 3.06Å; R102-E114 IonicContact NH2-OE2 2.93Å; R102-E114 PolarHBondContact NH2-OE2 3.11Å; V110-E114 WeakPolarHBondContact O-CB 3.45Å; V110-E114 PolarHBondContact O-N 2.84Å; D111-E114 PolarHBondContact O-N 3.31Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 3.42Å; E114-C117 WeakPolarHBondContact O-CB 3.34Å; E114-C117 PolarHBondContact O-N 3.5Å; E114-Q118 VanDerWaalsContact O-CG 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.41Å; E114-Q118 PolarHBondContact O-N 3.37Å; E114-Q118 PolarHBondContact OE1-NE2 3.2Å; E114-V136 HydrophobicContact CG-CG2 3.62Å; E114-Q137 PolarHBondContact OE1-NE2 3.21Å; E114-Q137 PolarHBondContact OE2-NE2 2.87Å
115	L	98.9	Very high	98.8	Very high	91 Å²	91	47.4 Å²	47.4	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-61.6	-39.9	175.1	-71.4	169.3	0	0	0	112.1	P99 D111 C117 Q118 K119	P99-L115 HydrophobicContact CB-CD1 3.98Å; P99-L115 HydrophobicContact CB-CD2 3.93Å; P99-L115 HydrophobicContact CB-CG 3.74Å; P99-L115 HydrophobicContact CG-CD2 4.13Å; P99-L115 HydrophobicContact CG-CG 3.93Å; D111-L115 WeakPolarHBondContact O-CB 3.19Å; D111-L115 VanDerWaalsContact O-CG 3.25Å; D111-L115 WeakPolarHBondContact O-CG 3.13Å; D111-L115 PolarHBondContact O-N 2.85Å; L115-C117 VanDerWaalsContact C-N 3.34Å; L115-Q118 PolarHBondContact O-N 2.76Å; L115-K119 WeakPolarHBondContact O-CB 3.36Å; L115-K119 PolarHBondContact O-N 2.85Å
116	L	98.9	Very high	98.8	Very high	70 Å²	70	49.8 Å²	49.8	37%	0.366	26%	0.259	S	S	.	.	H	α-helix	trans	-64.2	-40.6	174.9	178.5	62.1	0	0	0	111.7	Q112 I113 E114 R120	Q112-L116 WeakPolarHBondContact O-CB 3.47Å; Q112-L116 PolarHBondContact O-N 3.44Å; I113-L116 PolarHBondContact O-N 2.88Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 3.42Å; L116-R120 HydrophobicContact CD1-CG 4.26Å; L116-R120 WeakPolarHBondContact O-CB 3.15Å; L116-R120 WeakPolarHBondContact O-CG 3.25Å; L116-R120 PolarHBondContact O-N 3.22Å
117	C	98.9	Very high	98.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-47.4	176.3	-167.7	0	0	0	0	111.1	I113 E114 L115 K119 R120 A121 V136 I329 A333	I113-C117 WeakPolarHBondContact O-CB 3.27Å; I113-C117 PolarHBondContact O-N 2.9Å; E114-C117 WeakPolarHBondContact O-CB 3.34Å; E114-C117 PolarHBondContact O-N 3.5Å; L115-C117 VanDerWaalsContact C-N 3.34Å; C117-K119 PolarHBondContact O-N 2.85Å; C117-R120 PolarHBondContact O-N 3.47Å; C117-A121 WeakPolarHBondContact O-CB 3.23Å; C117-A121 PolarHBondContact O-N 3.12Å; C117-V136 HydrophobicContact CB-CG1 4.45Å; C117-V136 HydrophobicContact CB-CG2 4.39Å; C117-I329 HydrophobicContact CB-CG2 3.68Å; C117-I329 PolarHBondContact SG-O 2.92Å; C117-A333 HydrophobicContact CB-CB 3.85Å
118	Q	98.9	Very high	98.9	Very high	39 Å²	39	51.2 Å²	51.2	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-58.2	-49.3	176.2	-69.6	169.2	1.6	0	0	111.3	E114 L115 R120 A121 L122 V134 V136	E114-Q118 VanDerWaalsContact O-CG 3.3Å; E114-Q118 WeakPolarHBondContact O-CG 3.41Å; E114-Q118 PolarHBondContact O-N 3.37Å; E114-Q118 PolarHBondContact OE1-NE2 3.2Å; L115-Q118 PolarHBondContact O-N 2.76Å; Q118-R120 PolarHBondContact O-N 3.35Å; Q118-A121 WeakPolarHBondContact O-CB 3.27Å; Q118-A121 PolarHBondContact O-N 2.97Å; Q118-L122 PolarHBondContact O-N 2.81Å; Q118-L122 VanDerWaalsContact O-N 3.1Å; Q118-V134 HydrophobicContact CB-CG1 3.84Å; Q118-V134 HydrophobicContact CG-CG1 4.08Å; Q118-V136 HydrophobicContact CB-CG1 4.49Å; Q118-V136 HydrophobicContact CG-CG1 3.79Å; Q118-V136 HydrophobicContact CG-CG2 4Å
119	K	98.9	Very high	98.8	Very high	123 Å²	123	49 Å²	49	54%	0.535	25%	0.251	S	S	.	.	H	α-helix	trans	-55.8	-51.8	176.2	174.7	176	171.2	174.6	0	111.6	L115 C117 A121 L122 E123	L115-K119 WeakPolarHBondContact O-CB 3.36Å; L115-K119 PolarHBondContact O-N 2.85Å; C117-K119 PolarHBondContact O-N 2.85Å; K119-A121 VanDerWaalsContact C-N 3.26Å; K119-A121 PolarHBondContact O-N 2.91Å; K119-L122 PolarHBondContact O-N 2.96Å; K119-E123 WeakPolarHBondContact CE-OE1 3.31Å; K119-E123 HydrophobicContact CG-CG 4.42Å; K119-E123 IonicContact NZ-OE1 3.74Å; K119-E123 WeakPolarHBondContact O-CG 3.47Å; K119-E123 PolarHBondContact O-N 3.23Å
120	R	98.9	Very high	98.8	Very high	47 Å²	47	52.7 Å²	52.7	18%	0.177	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-29.6	-179.5	-74.4	-179.1	178.2	167.8	9.7	113.1	L116 C117 Q118 A124 A333 L336 Q340	L116-R120 HydrophobicContact CD1-CG 4.26Å; L116-R120 WeakPolarHBondContact O-CB 3.15Å; L116-R120 WeakPolarHBondContact O-CG 3.25Å; L116-R120 PolarHBondContact O-N 3.22Å; C117-R120 PolarHBondContact O-N 3.47Å; Q118-R120 PolarHBondContact O-N 3.35Å; R120-A124 WeakPolarHBondContact O-CB 3.41Å; R120-A124 PolarHBondContact O-N 2.91Å; R120-A333 VanDerWaalsContact CD-O 3.27Å; R120-A333 WeakPolarHBondContact CD-O 3.34Å; R120-A333 PolarHBondContact NH1-O 3.19Å; R120-L336 HydrophobicContact CB-CB 3.88Å; R120-L336 HydrophobicContact CB-CD1 4.38Å; R120-Q340 PolarHBondContact O-NE2 2.93Å
121	A	98.9	Very high	98.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-47.6	175.4	0	0	0	0	0	110.2	C117 Q118 K119 A124 F125 V134 F289 L336	C117-A121 WeakPolarHBondContact O-CB 3.23Å; C117-A121 PolarHBondContact O-N 3.12Å; Q118-A121 WeakPolarHBondContact O-CB 3.27Å; Q118-A121 PolarHBondContact O-N 2.97Å; K119-A121 VanDerWaalsContact C-N 3.26Å; K119-A121 PolarHBondContact O-N 2.91Å; A121-A124 PolarHBondContact O-N 2.88Å; A121-F125 VanDerWaalsContact O-CD2 3.24Å; A121-F125 WeakPolarHBondContact O-CD2 3.47Å; A121-F125 PolarHBondContact O-N 3.11Å; A121-V134 HydrophobicContact CB-CG1 4.13Å; A121-V134 HydrophobicContact CB-CG2 4.17Å; A121-F289 HydrophobicContact CB-CE1 3.98Å; A121-F289 HydrophobicContact CB-CZ 4.01Å; A121-L336 HydrophobicContact CB-CD1 3.72Å; A121-L336 HydrophobicContact CB-CD2 4.44Å
122	L	98.9	Very high	98.7	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-45.3	175.3	-60.9	178.8	0	0	0	111.6	Q118 K119 A124 F125 D126 L127 P129 W132 V134 F289	Q118-L122 PolarHBondContact O-N 2.81Å; Q118-L122 VanDerWaalsContact O-N 3.1Å; K119-L122 PolarHBondContact O-N 2.96Å; L122-A124 PolarHBondContact O-N 2.91Å; L122-F125 PolarHBondContact O-N 2.94Å; L122-D126 PolarHBondContact O-N 2.89Å; L122-D126 VanDerWaalsContact O-N 3.14Å; L122-L127 HydrophobicContact CB-CB 4.27Å; L122-L127 HydrophobicContact CD2-CB 4.12Å; L122-L127 HydrophobicContact CD2-CD1 3.99Å; L122-L127 PolarHBondContact O-N 3.26Å; L122-P129 HydrophobicContact CD1-CB 4.04Å; L122-P129 HydrophobicContact CD1-CG 4.15Å; L122-W132 HydrophobicContact CD2-CB 4.1Å; L122-V134 HydrophobicContact CD2-CB 4.15Å; L122-V134 HydrophobicContact CD2-CG1 4.04Å; L122-V134 HydrophobicContact CG-CG1 4.05Å; L122-F289 HydrophobicContact CD2-CD1 4.16Å; L122-F289 HydrophobicContact CD2-CE1 4.33Å
123	E	98.9	Very high	98.7	Very high	85 Å²	85	52.2 Å²	52.2	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-42.2	177.6	-71.5	170.5	164.1	0	0	113	K119 F125 D126 Q340	K119-E123 WeakPolarHBondContact CE-OE1 3.31Å; K119-E123 HydrophobicContact CG-CG 4.42Å; K119-E123 IonicContact NZ-OE1 3.74Å; K119-E123 WeakPolarHBondContact O-CG 3.47Å; K119-E123 PolarHBondContact O-N 3.23Å; E123-F125 PolarHBondContact O-N 3.5Å; E123-D126 PolarHBondContact O-N 3.04Å; E123-D126 VanDerWaalsContact O-N 3.13Å; E123-Q340 PolarHBondContact OE2-NE2 3Å
124	A	98.8	Very high	98.7	Very high	7 Å²	7	51 Å²	51	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-24.3	-178.4	0	0	0	0	0	113.2	R120 A121 L122 A258 L336 Q340	R120-A124 WeakPolarHBondContact O-CB 3.41Å; R120-A124 PolarHBondContact O-N 2.91Å; A121-A124 PolarHBondContact O-N 2.88Å; L122-A124 PolarHBondContact O-N 2.91Å; A124-A258 WeakPolarHBondContact O-CA 3.49Å; A124-L336 HydrophobicContact CB-CD2 3.97Å; A124-Q340 HydrophobicContact CB-CG 4.07Å
125	F	98.8	Very high	98.7	Very high	11 Å²	11	51 Å²	51	5%	0.048	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	11	178.2	-65.3	-72.5	0	0	0	113.1	A121 L122 E123 L127 M250 S254 V257 A258 F266 L280 F289 L336	A121-F125 VanDerWaalsContact O-CD2 3.24Å; A121-F125 WeakPolarHBondContact O-CD2 3.47Å; A121-F125 PolarHBondContact O-N 3.11Å; L122-F125 PolarHBondContact O-N 2.94Å; E123-F125 PolarHBondContact O-N 3.5Å; F125-L127 VanDerWaalsContact C-N 3.34Å; F125-L127 HydrophobicContact CB-CD1 3.9Å; F125-L127 HydrophobicContact CB-CD2 4.24Å; F125-L127 HydrophobicContact CB-CG 3.76Å; F125-L127 WeakPolarHBondContact O-CD2 2.96Å; F125-L127 PolarHBondContact O-N 2.85Å; F125-M250 HydrophobicContact CD1-CE 4.12Å; F125-M250 HydrophobicContact CD2-CE 4.42Å; F125-M250 HydrophobicContact CE1-CE 3.52Å; F125-M250 HydrophobicContact CE1-SD 4.04Å; F125-M250 HydrophobicContact CE2-CE 3.92Å; F125-M250 HydrophobicContact CZ-CE 3.44Å; F125-M250 VanDerWaalsContact CZ-CE 3.44Å; F125-M250 HydrophobicContact CZ-SD 4.47Å; F125-S254 WeakPolarHBondContact CE1-O 3.38Å; F125-V257 HydrophobicContact CD1-CB 4.43Å; F125-V257 HydrophobicContact CD1-CG1 3.86Å; F125-V257 HydrophobicContact CE1-CB 4.25Å; F125-V257 HydrophobicContact CE1-CG1 4.15Å; F125-A258 HydrophobicContact CD1-CB 4.11Å; F125-A258 HydrophobicContact CE1-CB 3.72Å; F125-A258 HydrophobicContact CZ-CB 4.18Å; F125-F266 HydrophobicContact CB-CD2 4.32Å; F125-F266 HydrophobicContact CB-CE2 3.8Å; F125-F266 HydrophobicContact CB-CZ 4.11Å; F125-F266 AromaticContact CD1-CE2 3.67Å; F125-F266 HydrophobicContact CD1-CE2 3.67Å; F125-F266 HydrophobicContact CD1-CZ 4.32Å; F125-F266 HydrophobicContact CD2-CE2 4.45Å; F125-F266 HydrophobicContact CD2-CZ 4.33Å; F125-F266 HydrophobicContact CE1-CE2 4.37Å; F125-F266 AromaticContact CG-CE2 3.72Å; F125-F266 HydrophobicContact CG-CE2 3.72Å; F125-F266 HydrophobicContact CG-CZ 4Å; F125-L280 HydrophobicContact CZ-CD1 4.36Å; F125-F289 AromaticContact CD2-CE1 3.99Å; F125-F289 HydrophobicContact CD2-CE1 3.99Å; F125-F289 HydrophobicContact CD2-CE2 4.23Å; F125-F289 AromaticContact CD2-CZ 3.5Å; F125-F289 HydrophobicContact CD2-CZ 3.5Å; F125-F289 VanDerWaalsContact CD2-CZ 3.5Å; F125-F289 HydrophobicContact CE2-CE2 4.11Å; F125-F289 AromaticContact CE2-CZ 3.64Å; F125-F289 HydrophobicContact CE2-CZ 3.64Å; F125-L336 HydrophobicContact CE2-CD2 4.47Å
126	D	98.7	Very high	98.7	Very high	114 Å²	114	46.8 Å²	46.8	61%	0.61	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	44.1	178.5	-157.6	19.4	0	0	0	113.1	L122 E123 K260	L122-D126 PolarHBondContact O-N 2.89Å; L122-D126 VanDerWaalsContact O-N 3.14Å; E123-D126 PolarHBondContact O-N 3.04Å; E123-D126 VanDerWaalsContact O-N 3.13Å; D126-K260 IonicContact OD2-NZ 2.76Å; D126-K260 PolarHBondContact OD2-NZ 3.06Å
127	L	98.9	Very high	98.7	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.099	22%	0.215	C	C	.	.			trans	-99.8	130.1	-174.1	-53.8	179.6	0	0	0	111.6	L122 F125 P129 W132 F266 F289	L122-L127 HydrophobicContact CB-CB 4.27Å; L122-L127 HydrophobicContact CD2-CB 4.12Å; L122-L127 HydrophobicContact CD2-CD1 3.99Å; L122-L127 PolarHBondContact O-N 3.26Å; F125-L127 VanDerWaalsContact C-N 3.34Å; F125-L127 HydrophobicContact CB-CD1 3.9Å; F125-L127 HydrophobicContact CB-CD2 4.24Å; F125-L127 HydrophobicContact CB-CG 3.76Å; F125-L127 WeakPolarHBondContact O-CD2 2.96Å; F125-L127 PolarHBondContact O-N 2.85Å; L127-P129 WeakPolarHBondContact O-CD 3.43Å; L127-W132 HydrophobicContact CB-CB 4Å; L127-W132 HydrophobicContact CB-CG 4.17Å; L127-W132 HydrophobicContact CD1-CB 4.18Å; L127-W132 HydrophobicContact CD1-CD2 4.39Å; L127-W132 HydrophobicContact CD1-CG 4.14Å; L127-W132 HydrophobicContact CD2-CG 4.32Å; L127-W132 HydrophobicContact CG-CG 4.44Å; L127-F266 HydrophobicContact CD1-CD1 3.65Å; L127-F266 HydrophobicContact CD1-CE1 3.43Å; L127-F266 VanDerWaalsContact CD1-CE1 3.43Å; L127-F266 HydrophobicContact CD1-CG 4.32Å; L127-F266 HydrophobicContact CD1-CZ 3.93Å; L127-F266 HydrophobicContact CD2-CB 3.71Å; L127-F266 HydrophobicContact CD2-CD1 3.62Å; L127-F266 HydrophobicContact CD2-CD2 4.17Å; L127-F266 HydrophobicContact CD2-CE1 4.23Å; L127-F266 HydrophobicContact CD2-CG 3.58Å; L127-F266 HydrophobicContact CG-CD1 4.29Å; L127-F266 HydrophobicContact CG-CE1 4.44Å; L127-F289 HydrophobicContact CD1-CD1 3.67Å; L127-F289 HydrophobicContact CD1-CE1 3.95Å
128	D	98.6	Very high	98.7	Very high	68 Å²	68	43.8 Å²	43.8	36%	0.364	22%	0.215	S	C	.	.			trans	-67.5	116.9	169.5	-179.9	-5.2	0	0	0	110.3	E130 K131 W132	D128-E130 PolarHBondContact O-N 3.37Å; D128-E130 VanDerWaalsContact O-N 3.14Å; D128-E130 WeakPolarHBondContact OD1-CB 3.45Å; D128-E130 PolarHBondContact OD1-N 3.25Å; D128-K131 HydrophobicContact CB-CB 4.29Å; D128-K131 HydrophobicContact CB-CD 4.23Å; D128-K131 HydrophobicContact CB-CG 4.33Å; D128-K131 PolarHBondContact O-N 2.92Å; D128-K131 WeakPolarHBondContact OD2-CE 3.39Å; D128-K131 IonicContact OD2-NZ 2.68Å; D128-W132 PolarHBondContact O-N 3.03Å
129	P	98.3	Very high	98.7	Very high	76 Å²	76	45.5 Å²	45.5	49%	0.494	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21	-179.2	-23.7	34.8	0	0	0	114.7	L122 L127 K131 W132	L122-P129 HydrophobicContact CD1-CB 4.04Å; L122-P129 HydrophobicContact CD1-CG 4.15Å; L127-P129 WeakPolarHBondContact O-CD 3.43Å; P129-K131 VanDerWaalsContact C-N 3.29Å; P129-W132 WeakPolarHBondContact CA-O 3.37Å
130	E	97.4	Very high	98.7	Very high	151 Å²	151	41.4 Å²	41.4	71%	0.706	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-22.8	174.9	-62.8	-56.7	129.8	0	0	112.1	D128	D128-E130 PolarHBondContact O-N 3.37Å; D128-E130 VanDerWaalsContact O-N 3.14Å; D128-E130 WeakPolarHBondContact OD1-CB 3.45Å; D128-E130 PolarHBondContact OD1-N 3.25Å
131	K	98.2	Very high	98.7	Very high	123 Å²	123	39.6 Å²	39.6	54%	0.535	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-17.7	-178.4	-63.1	177.5	-172.6	163.4	0	113.1	D128 P129 R291 K292	D128-K131 HydrophobicContact CB-CB 4.29Å; D128-K131 HydrophobicContact CB-CD 4.23Å; D128-K131 HydrophobicContact CB-CG 4.33Å; D128-K131 PolarHBondContact O-N 2.92Å; D128-K131 WeakPolarHBondContact OD2-CE 3.39Å; D128-K131 IonicContact OD2-NZ 2.68Å; P129-K131 VanDerWaalsContact C-N 3.29Å; K131-R291 CarbonylContact O-C 3.56Å; K131-R291 WeakPolarHBondContact O-CA 3.2Å; K131-K292 PolarHBondContact O-N 2.64Å
132	W	98.9	Very high	98.7	Very high	14 Å²	14	42.3 Å²	42.3	5%	0.053	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.6	-175.7	-75.6	98.5	0	0	0	111.7	L122 L127 D128 P129 F266 A269 V272 F289 Y290 R291	L122-W132 HydrophobicContact CD2-CB 4.1Å; L127-W132 HydrophobicContact CB-CB 4Å; L127-W132 HydrophobicContact CB-CG 4.17Å; L127-W132 HydrophobicContact CD1-CB 4.18Å; L127-W132 HydrophobicContact CD1-CD2 4.39Å; L127-W132 HydrophobicContact CD1-CG 4.14Å; L127-W132 HydrophobicContact CD2-CG 4.32Å; L127-W132 HydrophobicContact CG-CG 4.44Å; D128-W132 PolarHBondContact O-N 3.03Å; P129-W132 WeakPolarHBondContact CA-O 3.37Å; W132-F266 HydrophobicContact CD2-CD1 4.07Å; W132-F266 AromaticContact CE2-CD1 3.85Å; W132-F266 HydrophobicContact CE3-CD1 4.07Å; W132-F266 HydrophobicContact CE3-CE1 4.32Å; W132-F266 AromaticContact CH2-CD1 3.71Å; W132-F266 HydrophobicContact CH2-CD1 3.71Å; W132-F266 HydrophobicContact CH2-CE1 4.42Å; W132-F266 HydrophobicContact CZ2-CB 3.98Å; W132-F266 AromaticContact CZ2-CD1 3.67Å; W132-F266 HydrophobicContact CZ2-CD1 3.67Å; W132-F266 HydrophobicContact CZ2-CG 4.33Å; W132-F266 VanDerWaalsContact CZ2-O 3.29Å; W132-F266 WeakPolarHBondContact CZ2-O 3.12Å; W132-F266 AromaticContact CZ3-CD1 3.91Å; W132-F266 HydrophobicContact CZ3-CD1 3.91Å; W132-F266 HydrophobicContact CZ3-CE1 4.22Å; W132-A269 WeakPolarHBondContact CH2-O 3.28Å; W132-V272 HydrophobicContact CH2-CG2 3.94Å; W132-V272 HydrophobicContact CZ3-CG2 4.22Å; W132-F289 HydrophobicContact CE3-CB 3.92Å; W132-F289 HydrophobicContact CZ3-CB 3.97Å; W132-Y290 WeakPolarHBondContact CA-O 3.44Å; W132-Y290 VanDerWaalsContact CE3-O 3.3Å; W132-R291 HydrophobicContact CD2-CG 4.47Å; W132-R291 VanDerWaalsContact CE2-CD 3.43Å; W132-R291 HydrophobicContact CE3-CG 4.42Å; W132-R291 HydrophobicContact CH2-CG 3.68Å; W132-R291 HydrophobicContact CZ2-CG 3.74Å; W132-R291 HydrophobicContact CZ3-CG 4.04Å
133	G	98.8	Very high	98.7	Very high	7 Å²	7	43.7 Å²	43.7	7%	0.072	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	171	161.9	0	0	0	0	0	111.1	F289 Y290	G133-F289 WeakPolarHBondContact O-CA 3.39Å; G133-Y290 VanDerWaalsContact CA-CE2 3.45Å; G133-Y290 PolarHBondContact N-O 2.97Å; G133-Y290 PolarHBondContact O-N 2.79Å
134	V	98.9	Very high	98.7	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.7	178.9	62.9	0	0	0	0	110.9	Q118 A121 L122 V136 I288 F289	Q118-V134 HydrophobicContact CB-CG1 3.84Å; Q118-V134 HydrophobicContact CG-CG1 4.08Å; A121-V134 HydrophobicContact CB-CG1 4.13Å; A121-V134 HydrophobicContact CB-CG2 4.17Å; L122-V134 HydrophobicContact CD2-CB 4.15Å; L122-V134 HydrophobicContact CD2-CG1 4.04Å; L122-V134 HydrophobicContact CG-CG1 4.05Å; V134-V136 HydrophobicContact CG1-CG1 4.35Å; V134-V136 HydrophobicContact CG2-CG1 4.13Å; V134-I288 CarbonylContact C-O 3.58Å; V134-I288 WeakPolarHBondContact CA-O 3.45Å; V134-F289 HydrophobicContact CB-CD1 3.68Å; V134-F289 HydrophobicContact CB-CE1 3.89Å; V134-F289 HydrophobicContact CB-CG 4.34Å; V134-F289 HydrophobicContact CG2-CD1 3.61Å; V134-F289 HydrophobicContact CG2-CD2 4.33Å; V134-F289 HydrophobicContact CG2-CE1 3.56Å; V134-F289 HydrophobicContact CG2-CE2 4.27Å; V134-F289 HydrophobicContact CG2-CG 4.01Å; V134-F289 HydrophobicContact CG2-CZ 3.9Å
135	N	98.9	Very high	98.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.3	166	-166.5	-53.6	0	0	0	109	Y98 Q137 P138 I288 Y290 V312 N313	Y98-N135 WeakPolarHBondContact CE1-ND2 3.33Å; Y98-N135 PolarHBondContact OH-ND2 2.78Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.42Å; N135-Q137 PolarHBondContact OD1-N 2.85Å; N135-P138 WeakPolarHBondContact OD1-CD 3.49Å; N135-I288 HydrophobicContact CB-CB 4.39Å; N135-I288 PolarHBondContact N-O 3.08Å; N135-I288 PolarHBondContact O-N 3.06Å; N135-Y290 HydrophobicContact CB-CE1 4.29Å; N135-V312 HydrophobicContact CB-CG1 4.24Å; N135-N313 PolarHBondContact ND2-OD1 2.97Å
136	V	98.9	Very high	98.7	Very high	4 Å²	4	41 Å²	41	2%	0.024	22%	0.218	C	C	.	.			trans	-107.1	4.1	-174.9	-57.5	0	0	0	0	113.3	E114 C117 Q118 V134 P138 L287 I329	E114-V136 HydrophobicContact CG-CG2 3.62Å; C117-V136 HydrophobicContact CB-CG1 4.45Å; C117-V136 HydrophobicContact CB-CG2 4.39Å; Q118-V136 HydrophobicContact CB-CG1 4.49Å; Q118-V136 HydrophobicContact CG-CG1 3.79Å; Q118-V136 HydrophobicContact CG-CG2 4Å; V134-V136 HydrophobicContact CG1-CG1 4.35Å; V134-V136 HydrophobicContact CG2-CG1 4.13Å; V136-P138 VanDerWaalsContact C-CD 3.45Å; V136-L287 HydrophobicContact CB-CD2 3.95Å; V136-L287 HydrophobicContact CG1-CD2 3.78Å; V136-I329 HydrophobicContact CG2-CD1 4.45Å; V136-I329 HydrophobicContact CG2-CG2 4.09Å
137	Q	98.9	Very high	98.7	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.019	19%	0.191	C	C	.	.			trans	-89.2	-14.3	-176	-56.6	-173.7	4	0	0	116.6	G97 Y98 E114 N135 Y139 V316 Q321 P324 I329	G97-Q137 PolarHBondContact O-NE2 3.42Å; G97-Q137 VanDerWaalsContact O-NE2 3.11Å; Y98-Q137 HydrophobicContact CE1-CG 4.49Å; E114-Q137 PolarHBondContact OE1-NE2 3.21Å; E114-Q137 PolarHBondContact OE2-NE2 2.87Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.42Å; N135-Q137 PolarHBondContact OD1-N 2.85Å; Q137-Y139 PolarHBondContact O-N 3.11Å; Q137-V316 HydrophobicContact CB-CG1 4.02Å; Q137-Q321 PolarHBondContact O-NE2 3.2Å; Q137-P324 HydrophobicContact CG-CB 4.19Å; Q137-P324 HydrophobicContact CG-CG 4.26Å; Q137-I329 HydrophobicContact CG-CD1 4.3Å
138	P	98.9	Very high	98.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.013	19%	0.186	C	C	.	.			trans	-57.4	130.1	179.4	-24.9	32.6	0	0	0	112.4	N135 V136 S140 A144 G286 I288 V316	N135-P138 WeakPolarHBondContact OD1-CD 3.49Å; V136-P138 VanDerWaalsContact C-CD 3.45Å; P138-S140 PolarHBondContact O-N 2.85Å; P138-S140 VanDerWaalsContact O-N 3.16Å; P138-A144 HydrophobicContact CB-CB 3.66Å; P138-A144 HydrophobicContact CG-CB 4.02Å; P138-G286 WeakPolarHBondContact CD-O 3.19Å; P138-G286 PolarHBondContact O-N 3.45Å; P138-I288 HydrophobicContact CG-CD1 3.63Å; P138-I288 HydrophobicContact CG-CG1 3.83Å; P138-V316 HydrophobicContact CG-CG2 4.35Å
139	Y	98.9	Very high	98.8	Very high	76 Å²	76	31.7 Å²	31.7	30%	0.298	17%	0.169	S	C	.	.	S	Bend	trans	-66.3	-22.6	-174.5	-58.4	-32.5	0	0	0	114	Q137 A285 Q321 G323 H325	Q137-Y139 PolarHBondContact O-N 3.11Å; Y139-A285 WeakPolarHBondContact O-CA 3.36Å; Y139-Q321 HydrophobicContact CD2-CG 4.21Å; Y139-Q321 HydrophobicContact CE2-CB 4.01Å; Y139-Q321 HydrophobicContact CE2-CG 3.86Å; Y139-G323 PolarHBondContact OH-O 3.44Å; Y139-H325 AromaticContact CD1-CD2 3.99Å; Y139-H325 AromaticContact CD1-CE1 3.97Å; Y139-H325 AromaticContact CD1-CG 3.94Å; Y139-H325 AromaticContact CD1-ND1 3.93Å; Y139-H325 AromaticContact CE1-CD2 3.57Å; Y139-H325 AromaticContact CE1-CG 3.96Å; Y139-H325 AromaticContact CE1-NE2 3.72Å; Y139-H325 AromaticContact CZ-NE2 3.93Å
140	S	98.8	Very high	98.8	Very high	37 Å²	37	30.5 Å²	30.5	26%	0.259	16%	0.16	S	C	.	.	S	Bend	trans	-164.6	-176.8	174.6	-165.7	0	0	0	0	110.2	P138 P143 A144	P138-S140 PolarHBondContact O-N 2.85Å; P138-S140 VanDerWaalsContact O-N 3.16Å; S140-P143 WeakPolarHBondContact O-CD 3.4Å; S140-A144 WeakPolarHBondContact O-CB 3.31Å; S140-A144 PolarHBondContact O-N 3.43Å; S140-A144 VanDerWaalsContact O-N 3.08Å
141	G	98.7	Very high	98.9	Very high	8 Å²	8	24 Å²	24	8%	0.082	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-38.9	178.7	0	0	0	0	0	113.8	A144 N145	G141-A144 WeakPolarHBondContact O-CB 3.42Å; G141-A144 PolarHBondContact O-N 3.26Å; G141-N145 PolarHBondContact O-N 3.15Å
142	S	98.9	Very high	98.9	Very high	57 Å²	57	19.1 Å²	19.1	40%	0.399	11%	0.113	S	C	.	.	H	α-helix	trans	-65.2	-48	179.2	-48.6	0	0	0	0	112.8	A144 N145 F146 T171	S142-A144 VanDerWaalsContact C-N 3.32Å; S142-A144 PolarHBondContact O-N 3.07Å; S142-N145 PolarHBondContact O-N 2.9Å; S142-F146 PolarHBondContact O-N 3.08Å; S142-F146 VanDerWaalsContact O-N 3.08Å; S142-T171 VanDerWaalsContact CB-CG2 3.43Å; S142-T171 WeakPolarHBondContact OG-CG2 3.47Å
143	P	98.8	Very high	98.9	Very high	49 Å²	49	18.9 Å²	18.9	32%	0.318	11%	0.113	S	C	.	.	H	α-helix	trans	-59	-38.5	169.5	-25.5	35.1	0	0	0	113.6	S140 N145 F146 A147	S140-P143 WeakPolarHBondContact O-CD 3.4Å; P143-N145 PolarHBondContact O-N 3.08Å; P143-F146 PolarHBondContact O-N 3.1Å; P143-A147 WeakPolarHBondContact O-CB 3.33Å; P143-A147 PolarHBondContact O-N 2.85Å
144	A	98.9	Very high	98.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-47.3	178.3	0	0	0	0	0	112	P138 S140 G141 S142 A147 V148 T273 I288	P138-A144 HydrophobicContact CB-CB 3.66Å; P138-A144 HydrophobicContact CG-CB 4.02Å; S140-A144 WeakPolarHBondContact O-CB 3.31Å; S140-A144 PolarHBondContact O-N 3.43Å; S140-A144 VanDerWaalsContact O-N 3.08Å; G141-A144 WeakPolarHBondContact O-CB 3.42Å; G141-A144 PolarHBondContact O-N 3.26Å; S142-A144 VanDerWaalsContact C-N 3.32Å; S142-A144 PolarHBondContact O-N 3.07Å; A144-A147 PolarHBondContact O-N 3.44Å; A144-V148 PolarHBondContact O-N 3Å; A144-V148 VanDerWaalsContact O-N 3.09Å; A144-T273 HydrophobicContact CB-CG2 4.37Å; A144-I288 HydrophobicContact CB-CD1 4.34Å; A144-I288 HydrophobicContact CB-CG1 3.86Å
145	N	98.9	Very high	98.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-46.9	175	-81.9	-23.6	0	0	0	111.9	G141 S142 P143 A147 V148 Y149 T171 D249 T273	G141-N145 PolarHBondContact O-N 3.15Å; S142-N145 PolarHBondContact O-N 2.9Å; P143-N145 PolarHBondContact O-N 3.08Å; N145-A147 VanDerWaalsContact C-N 3.33Å; N145-A147 PolarHBondContact O-N 3.22Å; N145-V148 WeakPolarHBondContact O-CB 3.4Å; N145-V148 PolarHBondContact O-N 3.27Å; N145-Y149 HydrophobicContact CB-CE2 4.07Å; N145-Y149 VanDerWaalsContact O-CD1 3.3Å; N145-Y149 WeakPolarHBondContact O-CD1 3.4Å; N145-Y149 VanDerWaalsContact O-CD2 3.27Å; N145-Y149 WeakPolarHBondContact O-CD2 3.37Å; N145-Y149 WeakPolarHBondContact O-CE1 3.33Å; N145-Y149 WeakPolarHBondContact O-CE2 3.38Å; N145-Y149 PolarHBondContact O-N 3.14Å; N145-T171 PolarHBondContact ND2-OG1 2.74Å; N145-D249 PolarHBondContact ND2-OD2 3.27Å; N145-T273 VanDerWaalsContact OD1-CB 3.28Å; N145-T273 WeakPolarHBondContact OD1-CB 2.81Å; N145-T273 WeakPolarHBondContact OD1-CG2 3.28Å; N145-T273 PolarHBondContact OD1-OG1 2.87Å
146	F	98.9	Very high	98.8	Very high	46 Å²	46	33.4 Å²	33.4	20%	0.202	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-38.1	-179.3	-160.7	-95.6	0	0	0	112.5	S142 P143 V148 Y149 T150 A183 Y187 F188 L320	S142-F146 PolarHBondContact O-N 3.08Å; S142-F146 VanDerWaalsContact O-N 3.08Å; P143-F146 PolarHBondContact O-N 3.1Å; F146-V148 VanDerWaalsContact C-N 3.35Å; F146-V148 PolarHBondContact O-N 3.27Å; F146-Y149 HydrophobicContact CD2-CD2 4.28Å; F146-Y149 PolarHBondContact O-N 3.44Å; F146-T150 PolarHBondContact O-N 3.03Å; F146-T150 PolarHBondContact O-OG1 3.38Å; F146-T150 VanDerWaalsContact O-OG1 3.1Å; F146-A183 HydrophobicContact CE2-CB 4.24Å; F146-Y187 AromaticContact CE2-CD2 3.84Å; F146-Y187 HydrophobicContact CE2-CD2 3.84Å; F146-Y187 HydrophobicContact CE2-CG 4.48Å; F146-Y187 AromaticContact CZ-CD2 3.55Å; F146-Y187 HydrophobicContact CZ-CD2 3.55Å; F146-Y187 HydrophobicContact CZ-CE2 4.18Å; F146-Y187 HydrophobicContact CZ-CG 4.05Å; F146-F188 HydrophobicContact CD2-CE2 4.43Å; F146-F188 AromaticContact CE2-CE2 3.92Å; F146-F188 HydrophobicContact CE2-CE2 3.92Å; F146-F188 HydrophobicContact CZ-CE2 4.21Å; F146-L320 HydrophobicContact CD1-CD1 4.1Å; F146-L320 HydrophobicContact CD1-CD2 4.17Å; F146-L320 HydrophobicContact CE1-CD2 4.15Å
147	A	98.9	Very high	98.8	Very high	4 Å²	4	35 Å²	35	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-39.3	173.6	0	0	0	0	0	112.4	P143 A144 N145 T150 A151 I288 A315 V316 L320	P143-A147 WeakPolarHBondContact O-CB 3.33Å; P143-A147 PolarHBondContact O-N 2.85Å; A144-A147 PolarHBondContact O-N 3.44Å; N145-A147 VanDerWaalsContact C-N 3.33Å; N145-A147 PolarHBondContact O-N 3.22Å; A147-T150 PolarHBondContact O-N 2.9Å; A147-A151 VanDerWaalsContact O-CB 3.25Å; A147-A151 WeakPolarHBondContact O-CB 3.49Å; A147-A151 PolarHBondContact O-N 2.85Å; A147-I288 HydrophobicContact CB-CD1 3.96Å; A147-A315 WeakPolarHBondContact O-CB 3.39Å; A147-V316 HydrophobicContact CB-CG2 3.86Å; A147-L320 VanDerWaalsContact CA-CD1 3.48Å; A147-L320 HydrophobicContact CB-CD1 3.8Å
148	V	98.9	Very high	98.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-45.4	172.5	164.4	0	0	0	0	111.4	A144 N145 F146 A151 V152 L218 L247 L271 T273 I288	A144-V148 PolarHBondContact O-N 3Å; A144-V148 VanDerWaalsContact O-N 3.09Å; N145-V148 WeakPolarHBondContact O-CB 3.4Å; N145-V148 PolarHBondContact O-N 3.27Å; F146-V148 VanDerWaalsContact C-N 3.35Å; F146-V148 PolarHBondContact O-N 3.27Å; V148-A151 WeakPolarHBondContact O-CB 3.42Å; V148-A151 PolarHBondContact O-N 2.9Å; V148-V152 WeakPolarHBondContact O-CG2 3.45Å; V148-V152 PolarHBondContact O-N 3.17Å; V148-L218 HydrophobicContact CG1-CD1 4.17Å; V148-L247 HydrophobicContact CG1-CD1 4.21Å; V148-L247 HydrophobicContact CG1-CD2 3.95Å; V148-L271 HydrophobicContact CG1-CD1 3.81Å; V148-L271 HydrophobicContact CG2-CD2 4.42Å; V148-T273 HydrophobicContact CB-CG2 4.49Å; V148-T273 HydrophobicContact CG2-CG2 3.64Å; V148-I288 HydrophobicContact CG2-CB 4.44Å; V148-I288 HydrophobicContact CG2-CD1 4.2Å; V148-I288 HydrophobicContact CG2-CG1 4.11Å; V148-I288 HydrophobicContact CG2-CG2 3.45Å; V148-I288 VanDerWaalsContact CG2-CG2 3.45Å
149	Y	98.9	Very high	98.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-51.1	179.5	-48.4	-31.8	0	0	0	110.5	N145 F146 A151 V152 L153 I159 T171 T184 F188 L218 I220 L247	N145-Y149 HydrophobicContact CB-CE2 4.07Å; N145-Y149 VanDerWaalsContact O-CD1 3.3Å; N145-Y149 WeakPolarHBondContact O-CD1 3.4Å; N145-Y149 VanDerWaalsContact O-CD2 3.27Å; N145-Y149 WeakPolarHBondContact O-CD2 3.37Å; N145-Y149 WeakPolarHBondContact O-CE1 3.33Å; N145-Y149 WeakPolarHBondContact O-CE2 3.38Å; N145-Y149 PolarHBondContact O-N 3.14Å; F146-Y149 HydrophobicContact CD2-CD2 4.28Å; F146-Y149 PolarHBondContact O-N 3.44Å; Y149-A151 PolarHBondContact O-N 2.89Å; Y149-V152 PolarHBondContact O-N 3.41Å; Y149-L153 WeakPolarHBondContact O-CA 3.13Å; Y149-L153 WeakPolarHBondContact O-CB 3.46Å; Y149-L153 PolarHBondContact O-N 3.43Å; Y149-I159 HydrophobicContact CD1-CD1 4.07Å; Y149-I159 HydrophobicContact CD2-CD1 4.3Å; Y149-I159 HydrophobicContact CE1-CD1 4.49Å; Y149-I159 HydrophobicContact CG-CD1 3.98Å; Y149-T171 VanDerWaalsContact CE2-O 3.27Å; Y149-T171 WeakPolarHBondContact CE2-O 3.4Å; Y149-T171 PolarHBondContact OH-O 3.46Å; Y149-T184 HydrophobicContact CD2-CG2 4.01Å; Y149-T184 HydrophobicContact CE2-CG2 3.7Å; Y149-T184 WeakPolarHBondContact CE2-OG1 3.34Å; Y149-F188 VanDerWaalsContact CB-CE2 3.42Å; Y149-F188 VanDerWaalsContact CB-CZ 3.47Å; Y149-F188 HydrophobicContact CD2-CD2 4.33Å; Y149-F188 HydrophobicContact CD2-CE2 4.11Å; Y149-F188 HydrophobicContact CG-CE2 4.21Å; Y149-L218 HydrophobicContact CD1-CD1 4.43Å; Y149-L218 HydrophobicContact CD1-CD2 4.49Å; Y149-L218 HydrophobicContact CE1-CD2 4.3Å; Y149-I220 HydrophobicContact CE1-CD1 3.94Å; Y149-I220 VanDerWaalsContact OH-CD1 3.28Å; Y149-I220 WeakPolarHBondContact OH-CD1 3.16Å; Y149-L247 HydrophobicContact CD1-CD2 4.47Å; Y149-L247 HydrophobicContact CE1-CD2 3.65Å
150	T	98.9	Very high	98.8	Very high	51 Å²	51	36.3 Å²	36.3	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-57.8	-32.1	176.7	-59.5	0	0	0	0	112.8	F146 A147 A315 L320	F146-T150 PolarHBondContact O-N 3.03Å; F146-T150 PolarHBondContact O-OG1 3.38Å; F146-T150 VanDerWaalsContact O-OG1 3.1Å; A147-T150 PolarHBondContact O-N 2.9Å; T150-A315 HydrophobicContact CG2-CB 4.37Å; T150-L320 HydrophobicContact CG2-CD1 4.35Å
151	A	98.8	Very high	98.8	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	19%	0.191	C	C	.	.	H	α-helix	trans	-69.8	-39.4	179.1	0	0	0	0	0	113.4	A147 V148 Y149 K311 V312 A315	A147-A151 VanDerWaalsContact O-CB 3.25Å; A147-A151 WeakPolarHBondContact O-CB 3.49Å; A147-A151 PolarHBondContact O-N 2.85Å; V148-A151 WeakPolarHBondContact O-CB 3.42Å; V148-A151 PolarHBondContact O-N 2.9Å; Y149-A151 PolarHBondContact O-N 2.89Å; A151-K311 HydrophobicContact CB-CB 4.16Å; A151-K311 WeakPolarHBondContact CB-O 3.46Å; A151-K311 WeakPolarHBondContact O-CD 3.29Å; A151-V312 HydrophobicContact CB-CG2 4.13Å; A151-A315 HydrophobicContact CB-CB 3.67Å
152	V	98.6	Very high	98.8	Very high	21 Å²	21	34.3 Å²	34.3	13%	0.127	19%	0.188	C	C	.	.	H	α-helix	trans	-117.7	-7.2	-167.7	-52.7	0	0	0	0	114.8	V148 Y149 L218 Y245 L271 L308	V148-V152 WeakPolarHBondContact O-CG2 3.45Å; V148-V152 PolarHBondContact O-N 3.17Å; Y149-V152 PolarHBondContact O-N 3.41Å; V152-L218 HydrophobicContact CG2-CD1 3.74Å; V152-Y245 HydrophobicContact CB-CD2 4.02Å; V152-Y245 HydrophobicContact CB-CE2 3.8Å; V152-Y245 HydrophobicContact CG1-CE2 4.41Å; V152-Y245 HydrophobicContact CG2-CD2 3.91Å; V152-Y245 HydrophobicContact CG2-CE2 4.22Å; V152-L271 HydrophobicContact CG1-CD1 4.07Å; V152-L271 HydrophobicContact CG2-CD1 4.45Å; V152-L308 HydrophobicContact CG1-CD2 3.71Å
153	L	98.8	Very high	98.8	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.052	17%	0.174	C	C	.	.			trans	-124.1	144.7	-177.4	-54.9	-177.9	0	0	0	110.5	Y149 D157 I159 F188 R217 L218	Y149-L153 WeakPolarHBondContact O-CA 3.13Å; Y149-L153 WeakPolarHBondContact O-CB 3.46Å; Y149-L153 PolarHBondContact O-N 3.43Å; L153-D157 HydrophobicContact CB-CB 3.94Å; L153-D157 HydrophobicContact CD2-CB 4.2Å; L153-I159 HydrophobicContact CD1-CD1 3.47Å; L153-I159 VanDerWaalsContact CD1-CD1 3.47Å; L153-I159 HydrophobicContact CD1-CG1 3.4Å; L153-I159 VanDerWaalsContact CD1-CG1 3.4Å; L153-F188 HydrophobicContact CB-CD1 4.01Å; L153-F188 HydrophobicContact CB-CE1 3.7Å; L153-F188 HydrophobicContact CD1-CD1 4.14Å; L153-F188 HydrophobicContact CD1-CE1 4.36Å; L153-R217 HydrophobicContact CD2-CB 3.45Å; L153-R217 VanDerWaalsContact CD2-CB 3.45Å; L153-L218 HydrophobicContact CD1-CB 4.18Å; L153-L218 HydrophobicContact CD2-CB 4.09Å
154	N	98.8	Very high	98.5	Very high	109 Å²	109	32.8 Å²	32.8	58%	0.583	17%	0.172	S	C	*	.			trans	-79.3	160.2	164.8	-55.8	-71.8	0	0	0	109.9	H156 D157 F188	N154-H156 PolarHBondContact O-N 2.91Å; N154-D157 WeakPolarHBondContact CB-OD2 3.33Å; N154-D157 PolarHBondContact N-OD2 3.43Å; N154-D157 PolarHBondContact ND2-OD2 3.22Å; N154-D157 VanDerWaalsContact ND2-OD2 3.07Å; N154-D157 WeakPolarHBondContact O-CB 3.45Å; N154-D157 PolarHBondContact O-N 3.4Å; N154-F188 WeakPolarHBondContact O-CD1 3.25Å; N154-F188 WeakPolarHBondContact O-CE1 3.4Å
155	P	98.8	Very high	98.3	Very high	95 Å²	95	34.1 Å²	34.1	62%	0.617	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	135.7	165.6	-26.5	35.6	0	0	0	111	D157 Y187	P155-D157 PolarHBondContact O-N 2.95Å; P155-Y187 WeakPolarHBondContact CA-O 3.34Å
156	H	98.8	Very high	98.1	Very high	114 Å²	114	35 Å²	35	53%	0.528	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	5.2	-176.4	-46.4	-68.8	0	0	0	116.6	N154 Y187 E189	N154-H156 PolarHBondContact O-N 2.91Å; H156-Y187 PolarHBondContact N-O 3.26Å; H156-E189 HydrophobicContact CB-CG 4.23Å; H156-E189 IonicContact ND1-OE1 3.09Å; H156-E189 PolarHBondContact ND1-OE1 2.92Å; H156-E189 WeakPolarHBondContact O-CG 3.41Å
157	D	98.9	Very high	98	Very high	37 Å²	37	33 Å²	33	20%	0.198	18%	0.177	C	C	.	.			trans	-63.3	155.6	164.8	-87.3	-28.3	0	0	0	110.7	L153 N154 P155 F188 E189 R217	L153-D157 HydrophobicContact CB-CB 3.94Å; L153-D157 HydrophobicContact CD2-CB 4.2Å; N154-D157 WeakPolarHBondContact CB-OD2 3.33Å; N154-D157 PolarHBondContact N-OD2 3.43Å; N154-D157 PolarHBondContact ND2-OD2 3.22Å; N154-D157 VanDerWaalsContact ND2-OD2 3.07Å; N154-D157 WeakPolarHBondContact O-CB 3.45Å; N154-D157 PolarHBondContact O-N 3.4Å; P155-D157 PolarHBondContact O-N 2.95Å; D157-F188 WeakPolarHBondContact O-CB 3.34Å; D157-E189 PolarHBondContact O-N 2.83Å; D157-R217 HydrophobicContact CB-CB 4.45Å; D157-R217 HydrophobicContact CB-CG 4.07Å
158	R	98.9	Very high	97.9	Very high	109 Å²	109	32.9 Å²	32.9	41%	0.411	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.4	-166.6	-71	179.8	-175.8	170.5	0.1	113.1	E189 F214 P216 R217 L218	R158-E189 CarbonylContact C-O 3.56Å; R158-E189 VanDerWaalsContact CA-O 3.27Å; R158-E189 WeakPolarHBondContact CA-O 3.29Å; R158-E189 HydrophobicContact CG-CB 4.05Å; R158-F214 HydrophobicContact CB-CD1 4.23Å; R158-F214 HydrophobicContact CB-CE1 3.59Å; R158-F214 HydrophobicContact CB-CZ 3.83Å; R158-F214 WeakPolarHBondContact CD-O 3.41Å; R158-F214 HydrophobicContact CG-CE1 3.93Å; R158-F214 HydrophobicContact CG-CE2 4.1Å; R158-F214 HydrophobicContact CG-CZ 3.64Å; R158-F214 PolarHBondContact NH1-O 3.05Å; R158-P216 WeakPolarHBondContact O-CA 3.42Å; R158-R217 PolarHBondContact O-N 3.27Å; R158-L218 PolarHBondContact O-N 2.76Å
159	I	98.9	Very high	97.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.5	178.5	-58.9	175.9	0	0	0	109.8	Y149 L153 T184 F188 E189 S190 M191 L218 I220	Y149-I159 HydrophobicContact CD1-CD1 4.07Å; Y149-I159 HydrophobicContact CD2-CD1 4.3Å; Y149-I159 HydrophobicContact CE1-CD1 4.49Å; Y149-I159 HydrophobicContact CG-CD1 3.98Å; L153-I159 HydrophobicContact CD1-CD1 3.47Å; L153-I159 VanDerWaalsContact CD1-CD1 3.47Å; L153-I159 HydrophobicContact CD1-CG1 3.4Å; L153-I159 VanDerWaalsContact CD1-CG1 3.4Å; I159-T184 HydrophobicContact CD1-CG2 3.86Å; I159-F188 HydrophobicContact CD1-CB 3.63Å; I159-F188 HydrophobicContact CD1-CD1 4.39Å; I159-F188 HydrophobicContact CD1-CD2 4.03Å; I159-F188 HydrophobicContact CD1-CG 3.76Å; I159-F188 HydrophobicContact CG1-CB 4.2Å; I159-E189 PolarHBondContact N-O 3.01Å; I159-S190 WeakPolarHBondContact O-CA 3.29Å; I159-M191 PolarHBondContact O-N 2.89Å; I159-L218 WeakPolarHBondContact CA-O 3.15Å; I159-L218 HydrophobicContact CG2-CD2 4.12Å; I159-I220 HydrophobicContact CG2-CD1 3.63Å; I159-I220 HydrophobicContact CG2-CG1 4.06Å
160	M	98.9	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.9	165.7	-71.8	-178.9	68.6	0	0	111.5	M191 Y193 T210 A211 F214 P216 L218 I219 I220	M160-M191 VanDerWaalsContact CA-O 3.29Å; M160-M191 WeakPolarHBondContact CA-O 3.44Å; M160-M191 HydrophobicContact CE-CE 3.73Å; M160-M191 HydrophobicContact CG-CE 4.39Å; M160-M191 WeakPolarHBondContact CG-O 3.29Å; M160-M191 HydrophobicContact SD-CE 3.84Å; M160-Y193 HydrophobicContact CB-CD1 4.4Å; M160-T210 WeakPolarHBondContact CE-OG1 3.37Å; M160-A211 HydrophobicContact CE-CB 4.29Å; M160-A211 VanDerWaalsContact SD-CA 3.58Å; M160-A211 HydrophobicContact SD-CB 3.7Å; M160-F214 HydrophobicContact CG-CD1 3.74Å; M160-F214 HydrophobicContact CG-CE1 4.11Å; M160-F214 HydrophobicContact SD-CD1 4.05Å; M160-P216 HydrophobicContact CB-CB 4.33Å; M160-P216 HydrophobicContact CB-CG 4.47Å; M160-P216 HydrophobicContact CG-CB 3.91Å; M160-P216 HydrophobicContact CG-CG 3.98Å; M160-P216 HydrophobicContact SD-CB 4.27Å; M160-P216 HydrophobicContact SD-CG 3.68Å; M160-L218 PolarHBondContact N-O 2.86Å; M160-I219 HydrophobicContact CB-CG1 4.47Å; M160-I219 CarbonylContact O-C 3.55Å; M160-I219 WeakPolarHBondContact O-CA 3.32Å; M160-I220 PolarHBondContact O-N 3.37Å
161	G	98.8	Very high	97.8	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	163.3	174.9	0	0	0	0	0	111.2	D163 P192 Y193	G161-D163 PolarHBondContact O-N 3.14Å; G161-P192 CarbonylContact O-C 3.47Å; G161-P192 VanDerWaalsContact O-CA 3.24Å; G161-P192 WeakPolarHBondContact O-CA 3.48Å; G161-Y193 VanDerWaalsContact CA-CE1 3.5Å; G161-Y193 VanDerWaalsContact O-CD1 3.3Å; G161-Y193 WeakPolarHBondContact O-CD1 3.19Å; G161-Y193 PolarHBondContact O-N 3.38Å
162	L	98.6	Very high	97.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.6	173.9	-178.1	60.7	0	0	0	108.2	D166 G168 Y193 L195 I202 T223	L162-D166 HydrophobicContact CD1-CB 3.85Å; L162-D166 WeakPolarHBondContact CD2-O 3.4Å; L162-D166 HydrophobicContact CG-CB 4.19Å; L162-G168 WeakPolarHBondContact O-CA 3.36Å; L162-Y193 HydrophobicContact CB-CD2 4.24Å; L162-Y193 HydrophobicContact CB-CE1 4.44Å; L162-Y193 HydrophobicContact CB-CE2 3.54Å; L162-Y193 HydrophobicContact CD1-CD2 3.76Å; L162-Y193 HydrophobicContact CD1-CE2 3.63Å; L162-Y193 HydrophobicContact CG-CE2 4.13Å; L162-L195 HydrophobicContact CD1-CD2 4Å; L162-L195 HydrophobicContact CD1-CG 4.4Å; L162-L195 HydrophobicContact CD2-CD2 4.46Å; L162-I202 HydrophobicContact CD1-CG1 4.41Å; L162-T223 HydrophobicContact CD2-CG2 3.54Å
163	D	97.2	Very high	97.8	Very high	20 Å²	20	36.2 Å²	36.2	11%	0.107	19%	0.19	C	C	.	.			trans	-60.4	148.8	179.6	-158.7	15	0	0	0	111.9	G161 P165 D166 G167 G168 P192 Y193 K194	G161-D163 PolarHBondContact O-N 3.14Å; D163-P165 WeakPolarHBondContact OD2-CD 3.47Å; D163-D166 HydrophobicContact CB-CB 3.96Å; D163-D166 CarbonylContact O-C 3.29Å; D163-D166 WeakPolarHBondContact O-CA 3.21Å; D163-D166 WeakPolarHBondContact O-CB 3.48Å; D163-D166 PolarHBondContact O-N 2.87Å; D163-D166 VanDerWaalsContact O-N 3.09Å; D163-G167 PolarHBondContact O-N 3.16Å; D163-G168 WeakPolarHBondContact O-CA 3.38Å; D163-G168 PolarHBondContact O-N 2.84Å; D163-P192 HydrophobicContact CB-CB 3.59Å; D163-P192 HydrophobicContact CB-CG 4.37Å; D163-Y193 PolarHBondContact N-O 3.37Å; D163-K194 HydrophobicContact CB-CD 3.8Å; D163-K194 WeakPolarHBondContact OD2-CE 3.5Å; D163-K194 IonicContact OD2-NZ 2.81Å; D163-K194 PolarHBondContact OD2-NZ 3.11Å
164	L	94.2	Very high	97.7	Very high	53 Å²	53	37.8 Å²	37.8	28%	0.277	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-47.1	-177.3	-179.8	71.2	0	0	0	112.7	D166 G167 L170 Y174	L164-D166 PolarHBondContact O-N 2.96Å; L164-G167 PolarHBondContact O-N 2.95Å; L164-L170 HydrophobicContact CD1-CD2 4.47Å; L164-L170 HydrophobicContact CD1-CG 4.11Å; L164-L170 HydrophobicContact CD2-CD2 3.59Å; L164-L170 HydrophobicContact CD2-CG 4.07Å; L164-Y174 HydrophobicContact CB-CD2 3.56Å; L164-Y174 HydrophobicContact CB-CE2 3.82Å; L164-Y174 HydrophobicContact CB-CG 4Å; L164-Y174 HydrophobicContact CD2-CD1 3.58Å; L164-Y174 HydrophobicContact CD2-CD2 4.02Å; L164-Y174 HydrophobicContact CD2-CE1 3.57Å; L164-Y174 HydrophobicContact CD2-CE2 4.05Å; L164-Y174 HydrophobicContact CD2-CG 3.81Å; L164-Y174 HydrophobicContact CG-CD2 4.46Å
165	P	93.4	Very high	97.6	Very high	28 Å²	28	36.3 Å²	36.3	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.6	174.2	-23.7	37.9	0	0	0	114	D163 G167 T408	D163-P165 WeakPolarHBondContact OD2-CD 3.47Å; P165-G167 VanDerWaalsContact C-N 3.28Å; P165-T408 HydrophobicContact CB-CG2 3.86Å
166	D	95.6	Very high	97.3	Very high	21 Å²	21	34 Å²	34	11%	0.112	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.6	-178.5	-75.9	67.5	0	0	0	112.2	L162 D163 L164 K194 L195	L162-D166 HydrophobicContact CD1-CB 3.85Å; L162-D166 WeakPolarHBondContact CD2-O 3.4Å; L162-D166 HydrophobicContact CG-CB 4.19Å; D163-D166 HydrophobicContact CB-CB 3.96Å; D163-D166 CarbonylContact O-C 3.29Å; D163-D166 WeakPolarHBondContact O-CA 3.21Å; D163-D166 WeakPolarHBondContact O-CB 3.48Å; D163-D166 PolarHBondContact O-N 2.87Å; D163-D166 VanDerWaalsContact O-N 3.09Å; L164-D166 PolarHBondContact O-N 2.96Å; D166-K194 WeakPolarHBondContact OD1-CD 3.48Å; D166-K194 IonicContact OD1-NZ 2.69Å; D166-K194 PolarHBondContact OD1-NZ 2.81Å; D166-K194 WeakPolarHBondContact OD2-CA 3.46Å; D166-K194 WeakPolarHBondContact OD2-CD 3.33Å; D166-L195 HydrophobicContact CB-CD1 4.46Å; D166-L195 HydrophobicContact CB-CG 3.99Å; D166-L195 WeakPolarHBondContact O-CD1 3.46Å; D166-L195 WeakPolarHBondContact O-CG 3.37Å; D166-L195 PolarHBondContact OD2-N 2.89Å
167	G	95.7	Very high	97.1	Very high	2 Å²	2	37 Å²	37	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.5	7.2	174.2	0	0	0	0	0	115.4	D163 L164 P165 T223 S224 A225	D163-G167 PolarHBondContact O-N 3.16Å; L164-G167 PolarHBondContact O-N 2.95Å; P165-G167 VanDerWaalsContact C-N 3.28Å; G167-T223 CarbonylContact O-C 3.52Å; G167-T223 WeakPolarHBondContact O-CA 3.31Å; G167-S224 PolarHBondContact O-N 2.89Å; G167-A225 VanDerWaalsContact CA-O 3.26Å; G167-A225 WeakPolarHBondContact CA-O 3.24Å; G167-A225 PolarHBondContact O-N 3.22Å
168	G	97.2	Very high	96.9	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.021	22%	0.222	C	C	.	.			trans	-66.8	-167.7	172.3	0	0	0	0	0	113.8	L162 D163 S224	L162-G168 WeakPolarHBondContact O-CA 3.36Å; D163-G168 WeakPolarHBondContact O-CA 3.38Å; D163-G168 PolarHBondContact O-N 2.84Å; G168-S224 WeakPolarHBondContact O-CB 3.46Å; G168-S224 PolarHBondContact O-OG 3.25Å
169	H	98.2	Very high	96.8	Very high	58 Å²	58	43.4 Å²	43.4	27%	0.269	23%	0.232	S	C	.	.			trans	-125.4	150.1	174.3	-170.9	-107.1	0	0	0	110.4	T171 H172 S224	H169-T171 VanDerWaalsContact CE1-CG2 3.49Å; H169-T171 WeakPolarHBondContact CE1-CG2 3.45Å; H169-T171 WeakPolarHBondContact ND1-CG2 3.27Å; H169-T171 PolarHBondContact ND1-N 3.25Å; H169-T171 PolarHBondContact ND1-OG1 2.89Å; H169-T171 PolarHBondContact O-N 2.92Å; H169-H172 PolarHBondContact N-ND1 3.4Å; H169-H172 WeakPolarHBondContact O-CB 3.41Å; H169-H172 PolarHBondContact O-N 2.88Å; H169-S224 VanDerWaalsContact CB-OG 3.31Å; H169-S224 WeakPolarHBondContact CB-OG 3.45Å; H169-S224 PolarHBondContact CD2-OG 2.86Å; H169-S224 VanDerWaalsContact CD2-OG 3.28Å
170	L	97.6	Very high	96.8	Very high	76 Å²	76	48.1 Å²	48.1	40%	0.398	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-51.2	-37.1	-179.9	-81.1	166.3	0	0	0	112.5	L164 H172 G173 Y174 S182	L164-L170 HydrophobicContact CD1-CD2 4.47Å; L164-L170 HydrophobicContact CD1-CG 4.11Å; L164-L170 HydrophobicContact CD2-CD2 3.59Å; L164-L170 HydrophobicContact CD2-CG 4.07Å; L170-H172 PolarHBondContact O-N 3.36Å; L170-G173 PolarHBondContact O-N 2.76Å; L170-Y174 HydrophobicContact CD2-CD1 3.76Å; L170-Y174 HydrophobicContact CD2-CG 4.26Å; L170-S182 WeakPolarHBondContact O-CB 3.47Å; L170-S182 PolarHBondContact O-OG 3.23Å
171	T	98.7	Very high	96.7	Very high	12 Å²	12	52.2 Å²	52.2	7%	0.074	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-72.1	-10.2	-177.2	61	0	0	0	0	113.6	S142 N145 Y149 H169 T184	S142-T171 VanDerWaalsContact CB-CG2 3.43Å; S142-T171 WeakPolarHBondContact OG-CG2 3.47Å; N145-T171 PolarHBondContact ND2-OG1 2.74Å; Y149-T171 VanDerWaalsContact CE2-O 3.27Å; Y149-T171 WeakPolarHBondContact CE2-O 3.4Å; Y149-T171 PolarHBondContact OH-O 3.46Å; H169-T171 VanDerWaalsContact CE1-CG2 3.49Å; H169-T171 WeakPolarHBondContact CE1-CG2 3.45Å; H169-T171 WeakPolarHBondContact ND1-CG2 3.27Å; H169-T171 PolarHBondContact ND1-N 3.25Å; H169-T171 PolarHBondContact ND1-OG1 2.89Å; H169-T171 PolarHBondContact O-N 2.92Å; T171-T184 PolarHBondContact O-OG1 3.34Å
172	H	98.8	Very high	96.7	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-84.1	-3.4	178.1	-54	165.3	0	0	0	112.7	H169 L170 I220 G222 D249	H169-H172 PolarHBondContact N-ND1 3.4Å; H169-H172 WeakPolarHBondContact O-CB 3.41Å; H169-H172 PolarHBondContact O-N 2.88Å; L170-H172 PolarHBondContact O-N 3.36Å; H172-I220 HydrophobicContact CB-CD1 3.73Å; H172-G222 PolarHBondContact CE1-O 2.64Å; H172-D249 IonicContact CD2-OD2 3.24Å; H172-D249 IonicContact CE1-OD2 2.69Å; H172-D249 IonicContact NE2-OD2 2.64Å; H172-D249 PolarHBondContact NE2-OD2 3.27Å
173	G	98.4	Very high	96.7	Very high	9 Å²	9	54.8 Å²	54.8	9%	0.093	29%	0.291	C	S	.	.			trans	109.4	122.8	-175.4	0	0	0	0	0	110	L170 S185	L170-G173 PolarHBondContact O-N 2.76Å; G173-S185 VanDerWaalsContact CA-OG 3.31Å; G173-S185 WeakPolarHBondContact CA-OG 3.3Å
174	Y	97.4	Very high	96.7	Very high	42 Å²	42	54 Å²	54	17%	0.165	29%	0.287	C	S	.	.			trans	-150.4	129.1	174.6	-174.4	-121.1	0	0	0	111.1	L164 L170 I181 S182 S185	L164-Y174 HydrophobicContact CB-CD2 3.56Å; L164-Y174 HydrophobicContact CB-CE2 3.82Å; L164-Y174 HydrophobicContact CB-CG 4Å; L164-Y174 HydrophobicContact CD2-CD1 3.58Å; L164-Y174 HydrophobicContact CD2-CD2 4.02Å; L164-Y174 HydrophobicContact CD2-CE1 3.57Å; L164-Y174 HydrophobicContact CD2-CE2 4.05Å; L164-Y174 HydrophobicContact CD2-CG 3.81Å; L164-Y174 HydrophobicContact CG-CD2 4.46Å; L170-Y174 HydrophobicContact CD2-CD1 3.76Å; L170-Y174 HydrophobicContact CD2-CG 4.26Å; Y174-I181 HydrophobicContact CD1-CB 3.95Å; Y174-I181 HydrophobicContact CD1-CD1 3.98Å; Y174-I181 HydrophobicContact CD1-CG1 4.3Å; Y174-I181 HydrophobicContact CD1-CG2 4.24Å; Y174-I181 HydrophobicContact CE1-CD1 3.68Å; Y174-I181 HydrophobicContact CE1-CG1 4.46Å; Y174-I181 PolarHBondContact O-N 2.81Å; Y174-S182 PolarHBondContact O-N 3.46Å; Y174-S185 PolarHBondContact N-OG 3.29Å; Y174-S185 PolarHBondContact O-OG 2.96Å
175	M	96.1	Very high	96.9	Very high	78 Å²	78	51.5 Å²	51.5	38%	0.384	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	143.8	175.6	60.5	-168.3	175.2	0	0	109	K179 R180 S190	M175-K179 CarbonylContact C-O 3.12Å; M175-K179 VanDerWaalsContact CA-O 3.32Å; M175-K179 WeakPolarHBondContact CA-O 3.41Å; M175-R180 HydrophobicContact CB-CB 4.42Å; M175-R180 HydrophobicContact CB-CG 4.12Å; M175-R180 HydrophobicContact SD-CG 4.37Å; M175-S190 WeakPolarHBondContact CE-O 3.46Å
176	S	93.7	Very high	97.2	Very high	47 Å²	47	54.1 Å²	54.1	33%	0.329	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	175.3	164.9	69.1	0	0	0	0	110	V178 K179	S176-V178 PolarHBondContact O-N 2.89Å; S176-V178 PolarHBondContact OG-N 3.41Å; S176-K179 PolarHBondContact N-O 3.47Å; S176-K179 PolarHBondContact O-N 2.89Å; S176-K179 PolarHBondContact OG-N 3.01Å; S176-K179 PolarHBondContact OG-O 3.3Å
177	D	93.6	Very high	97.4	Very high	176 Å²	176	59.5 Å²	59.5	94%	0.941	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.6	176.2	-57.2	-24.4	0	0	0	113.7
178	V	95.8	Very high	97.5	Very high	138 Å²	138	59.7 Å²	59.7	84%	0.836	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-9.1	-173.1	-60.3	0	0	0	0	114	S176	S176-V178 PolarHBondContact O-N 2.89Å; S176-V178 PolarHBondContact OG-N 3.41Å
179	K	96.6	Very high	97.6	Very high	144 Å²	144	62.2 Å²	62.2	63%	0.626	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.4	129.7	-173.1	-171.8	172.2	-179.8	179.6	0	113.4	M175 S176 I181	M175-K179 CarbonylContact C-O 3.12Å; M175-K179 VanDerWaalsContact CA-O 3.32Å; M175-K179 WeakPolarHBondContact CA-O 3.41Å; S176-K179 PolarHBondContact N-O 3.47Å; S176-K179 PolarHBondContact O-N 2.89Å; S176-K179 PolarHBondContact OG-N 3.01Å; S176-K179 PolarHBondContact OG-O 3.3Å; K179-I181 PolarHBondContact O-N 3.16Å
180	R	97.9	Very high	97.6	Very high	98 Å²	98	59.8 Å²	59.8	37%	0.37	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	117.2	162.6	-66.8	166.5	-177.4	-104.9	5.6	108.6	M175 S185 I186 E189	M175-R180 HydrophobicContact CB-CB 4.42Å; M175-R180 HydrophobicContact CB-CG 4.12Å; M175-R180 HydrophobicContact SD-CG 4.37Å; R180-S185 WeakPolarHBondContact CD-O 3.4Å; R180-S185 PolarHBondContact NH1-O 3.47Å; R180-I186 HydrophobicContact CB-CG1 3.83Å; R180-E189 IonicContact CZ-OE1 3.91Å; R180-E189 IonicContact CZ-OE2 2.88Å; R180-E189 IonicContact NH1-OE1 2.65Å; R180-E189 PolarHBondContact NH1-OE1 3.31Å; R180-E189 IonicContact NH1-OE2 2.69Å; R180-E189 PolarHBondContact NH1-OE2 3.01Å; R180-E189 IonicContact NH2-OE1 3.91Å; R180-E189 IonicContact NH2-OE2 3.67Å; R180-E189 PolarHBondContact NH2-OE2 3.46Å
181	I	96.9	Very high	97.7	Very high	87 Å²	87	58.7 Å²	58.7	45%	0.446	30%	0.3	S	S	.	.			trans	-96.7	-49.8	-174.4	-59.2	-166.2	0	0	0	110.4	Y174 K179	Y174-I181 HydrophobicContact CD1-CB 3.95Å; Y174-I181 HydrophobicContact CD1-CD1 3.98Å; Y174-I181 HydrophobicContact CD1-CG1 4.3Å; Y174-I181 HydrophobicContact CD1-CG2 4.24Å; Y174-I181 HydrophobicContact CE1-CD1 3.68Å; Y174-I181 HydrophobicContact CE1-CG1 4.46Å; Y174-I181 PolarHBondContact O-N 2.81Å; K179-I181 PolarHBondContact O-N 3.16Å
182	S	98.3	Very high	97.7	Very high	13 Å²	13	60.3 Å²	60.3	9%	0.091	31%	0.311	C	S	.	.	S	Bend	trans	-77.8	139.9	178.2	-177.1	0	0	0	0	111.2	L170 Y174 T184 S185 I186	L170-S182 WeakPolarHBondContact O-CB 3.47Å; L170-S182 PolarHBondContact O-OG 3.23Å; Y174-S182 PolarHBondContact O-N 3.46Å; S182-T184 PolarHBondContact O-N 3.46Å; S182-T184 PolarHBondContact OG-N 2.9Å; S182-T184 PolarHBondContact OG-OG1 3.2Å; S182-S185 PolarHBondContact O-N 3.38Å; S182-I186 PolarHBondContact O-N 2.84Å
183	A	98.6	Very high	97.7	Very high	44 Å²	44	60.4 Å²	60.4	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-56.7	-32.9	171	0	0	0	0	0	111.7	F146 S185 I186 Y187	F146-A183 HydrophobicContact CE2-CB 4.24Å; A183-S185 VanDerWaalsContact C-N 3.26Å; A183-S185 PolarHBondContact O-N 3.44Å; A183-I186 PolarHBondContact O-N 3.45Å; A183-Y187 HydrophobicContact CB-CD2 4.24Å; A183-Y187 HydrophobicContact CB-CE2 4.26Å; A183-Y187 VanDerWaalsContact O-CD2 3.24Å; A183-Y187 WeakPolarHBondContact O-CD2 3.41Å; A183-Y187 PolarHBondContact O-N 2.75Å
184	T	98.8	Very high	97.6	Very high	4 Å²	4	63.1 Å²	63.1	3%	0.025	32%	0.32	C	S	.	.	H	α-helix	trans	-54.3	-45.6	172.9	-54.1	0	0	0	0	111.1	Y149 I159 T171 S182 I186 F188	Y149-T184 HydrophobicContact CD2-CG2 4.01Å; Y149-T184 HydrophobicContact CE2-CG2 3.7Å; Y149-T184 WeakPolarHBondContact CE2-OG1 3.34Å; I159-T184 HydrophobicContact CD1-CG2 3.86Å; T171-T184 PolarHBondContact O-OG1 3.34Å; S182-T184 PolarHBondContact O-N 3.46Å; S182-T184 PolarHBondContact OG-N 2.9Å; S182-T184 PolarHBondContact OG-OG1 3.2Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 3.48Å; T184-F188 HydrophobicContact CG2-CD2 4.42Å; T184-F188 CarbonylContact O-C 3.51Å; T184-F188 WeakPolarHBondContact O-CA 3.35Å; T184-F188 VanDerWaalsContact O-CB 3.27Å; T184-F188 WeakPolarHBondContact O-CB 3.43Å; T184-F188 PolarHBondContact O-N 3.39Å; T184-F188 VanDerWaalsContact O-O 3.11Å
185	S	98.6	Very high	97.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-75.5	-14.5	177.7	-56.5	0	0	0	0	113.2	G173 Y174 R180 S182 A183 F188 S190	G173-S185 VanDerWaalsContact CA-OG 3.31Å; G173-S185 WeakPolarHBondContact CA-OG 3.3Å; Y174-S185 PolarHBondContact N-OG 3.29Å; Y174-S185 PolarHBondContact O-OG 2.96Å; R180-S185 WeakPolarHBondContact CD-O 3.4Å; R180-S185 PolarHBondContact NH1-O 3.47Å; S182-S185 PolarHBondContact O-N 3.38Å; A183-S185 VanDerWaalsContact C-N 3.26Å; A183-S185 PolarHBondContact O-N 3.44Å; S185-F188 CarbonylContact C-O 3.58Å; S185-F188 WeakPolarHBondContact CA-O 3.41Å; S185-S190 WeakPolarHBondContact CB-OG 3.32Å; S185-S190 PolarHBondContact OG-OG 3.3Å
186	I	98.8	Very high	97.7	Very high	83 Å²	83	60.4 Å²	60.4	43%	0.426	31%	0.31	S	S	.	.	H	α-helix	trans	-82.4	-46	176.2	-65.7	171.6	0	0	0	110.2	R180 S182 A183 T184	R180-I186 HydrophobicContact CB-CG1 3.83Å; S182-I186 PolarHBondContact O-N 2.84Å; A183-I186 PolarHBondContact O-N 3.45Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 3.48Å
187	Y	98.8	Very high	97.7	Very high	135 Å²	135	62.7 Å²	62.7	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-91.9	-19.4	-174.9	-64	-73.6	0	0	0	113.8	F146 P155 H156 A183	F146-Y187 AromaticContact CE2-CD2 3.84Å; F146-Y187 HydrophobicContact CE2-CD2 3.84Å; F146-Y187 HydrophobicContact CE2-CG 4.48Å; F146-Y187 AromaticContact CZ-CD2 3.55Å; F146-Y187 HydrophobicContact CZ-CD2 3.55Å; F146-Y187 HydrophobicContact CZ-CE2 4.18Å; F146-Y187 HydrophobicContact CZ-CG 4.05Å; P155-Y187 WeakPolarHBondContact CA-O 3.34Å; H156-Y187 PolarHBondContact N-O 3.26Å; A183-Y187 HydrophobicContact CB-CD2 4.24Å; A183-Y187 HydrophobicContact CB-CE2 4.26Å; A183-Y187 VanDerWaalsContact O-CD2 3.24Å; A183-Y187 WeakPolarHBondContact O-CD2 3.41Å; A183-Y187 PolarHBondContact O-N 2.75Å
188	F	98.9	Very high	97.7	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.026	32%	0.317	C	S	.	.	S	Bend	trans	-130	159.3	178.1	-51.9	-79.4	0	0	0	110.5	F146 Y149 L153 N154 D157 I159 T184 S185 S190	F146-F188 HydrophobicContact CD2-CE2 4.43Å; F146-F188 AromaticContact CE2-CE2 3.92Å; F146-F188 HydrophobicContact CE2-CE2 3.92Å; F146-F188 HydrophobicContact CZ-CE2 4.21Å; Y149-F188 VanDerWaalsContact CB-CE2 3.42Å; Y149-F188 VanDerWaalsContact CB-CZ 3.47Å; Y149-F188 HydrophobicContact CD2-CD2 4.33Å; Y149-F188 HydrophobicContact CD2-CE2 4.11Å; Y149-F188 HydrophobicContact CG-CE2 4.21Å; L153-F188 HydrophobicContact CB-CD1 4.01Å; L153-F188 HydrophobicContact CB-CE1 3.7Å; L153-F188 HydrophobicContact CD1-CD1 4.14Å; L153-F188 HydrophobicContact CD1-CE1 4.36Å; N154-F188 WeakPolarHBondContact O-CD1 3.25Å; N154-F188 WeakPolarHBondContact O-CE1 3.4Å; D157-F188 WeakPolarHBondContact O-CB 3.34Å; I159-F188 HydrophobicContact CD1-CB 3.63Å; I159-F188 HydrophobicContact CD1-CD1 4.39Å; I159-F188 HydrophobicContact CD1-CD2 4.03Å; I159-F188 HydrophobicContact CD1-CG 3.76Å; I159-F188 HydrophobicContact CG1-CB 4.2Å; T184-F188 HydrophobicContact CG2-CD2 4.42Å; T184-F188 CarbonylContact O-C 3.51Å; T184-F188 WeakPolarHBondContact O-CA 3.35Å; T184-F188 VanDerWaalsContact O-CB 3.27Å; T184-F188 WeakPolarHBondContact O-CB 3.43Å; T184-F188 PolarHBondContact O-N 3.39Å; T184-F188 VanDerWaalsContact O-O 3.11Å; S185-F188 CarbonylContact C-O 3.58Å; S185-F188 WeakPolarHBondContact CA-O 3.41Å; F188-S190 PolarHBondContact O-N 2.93Å
189	E	98.9	Very high	97.7	Very high	54 Å²	54	55.5 Å²	55.5	25%	0.252	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	100.6	178.1	-63.6	-52.4	136.2	0	0	110.2	H156 D157 R158 I159 R180 F214	H156-E189 HydrophobicContact CB-CG 4.23Å; H156-E189 IonicContact ND1-OE1 3.09Å; H156-E189 PolarHBondContact ND1-OE1 2.92Å; H156-E189 WeakPolarHBondContact O-CG 3.41Å; D157-E189 PolarHBondContact O-N 2.83Å; R158-E189 CarbonylContact C-O 3.56Å; R158-E189 VanDerWaalsContact CA-O 3.27Å; R158-E189 WeakPolarHBondContact CA-O 3.29Å; R158-E189 HydrophobicContact CG-CB 4.05Å; I159-E189 PolarHBondContact N-O 3.01Å; R180-E189 IonicContact CZ-OE1 3.91Å; R180-E189 IonicContact CZ-OE2 2.88Å; R180-E189 IonicContact NH1-OE1 2.65Å; R180-E189 PolarHBondContact NH1-OE1 3.31Å; R180-E189 IonicContact NH1-OE2 2.69Å; R180-E189 PolarHBondContact NH1-OE2 3.01Å; R180-E189 IonicContact NH2-OE1 3.91Å; R180-E189 IonicContact NH2-OE2 3.67Å; R180-E189 PolarHBondContact NH2-OE2 3.46Å; E189-F214 HydrophobicContact CB-CZ 4.48Å; E189-F214 WeakPolarHBondContact O-CZ 3.49Å
190	S	98.8	Very high	97.7	Very high	8 Å²	8	48.9 Å²	48.9	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.6	-179.1	62.1	0	0	0	0	112.5	I159 M175 S185 F188	I159-S190 WeakPolarHBondContact O-CA 3.29Å; M175-S190 WeakPolarHBondContact CE-O 3.46Å; S185-S190 WeakPolarHBondContact CB-OG 3.32Å; S185-S190 PolarHBondContact OG-OG 3.3Å; F188-S190 PolarHBondContact O-N 2.93Å
191	M	98.8	Very high	97.8	Very high	53 Å²	53	47.4 Å²	47.4	26%	0.261	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.3	166	-172.7	-176.5	76.2	0	0	109.7	I159 M160 F214	I159-M191 PolarHBondContact O-N 2.89Å; M160-M191 VanDerWaalsContact CA-O 3.29Å; M160-M191 WeakPolarHBondContact CA-O 3.44Å; M160-M191 HydrophobicContact CE-CE 3.73Å; M160-M191 HydrophobicContact CG-CE 4.39Å; M160-M191 WeakPolarHBondContact CG-O 3.29Å; M160-M191 HydrophobicContact SD-CE 3.84Å; M191-F214 HydrophobicContact CB-CD1 3.76Å; M191-F214 HydrophobicContact CB-CD2 4.07Å; M191-F214 HydrophobicContact CB-CE1 3.5Å; M191-F214 HydrophobicContact CB-CE2 3.85Å; M191-F214 HydrophobicContact CB-CG 4.03Å; M191-F214 HydrophobicContact CB-CZ 3.56Å; M191-F214 HydrophobicContact CE-CB 3.29Å; M191-F214 HydrophobicContact CE-CD1 3.89Å; M191-F214 HydrophobicContact CE-CD2 4.23Å; M191-F214 HydrophobicContact CE-CG 3.57Å; M191-F214 HydrophobicContact SD-CB 3.86Å; M191-F214 HydrophobicContact SD-CD1 4.33Å; M191-F214 HydrophobicContact SD-CD2 3.76Å; M191-F214 HydrophobicContact SD-CE2 4.38Å; M191-F214 HydrophobicContact SD-CG 3.74Å
192	P	98.6	Very high	97.8	Very high	46 Å²	46	43.6 Å²	43.6	30%	0.299	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	153.4	-177.3	28.9	-33.3	0	0	0	112.9	G161 D163	G161-P192 CarbonylContact O-C 3.47Å; G161-P192 VanDerWaalsContact O-CA 3.24Å; G161-P192 WeakPolarHBondContact O-CA 3.48Å; D163-P192 HydrophobicContact CB-CB 3.59Å; D163-P192 HydrophobicContact CB-CG 4.37Å
193	Y	98.7	Very high	97.8	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	164.3	152.2	63.4	-95.5	0	0	0	110	M160 G161 L162 D163 I202 M207 I219 I220	M160-Y193 HydrophobicContact CB-CD1 4.4Å; G161-Y193 VanDerWaalsContact CA-CE1 3.5Å; G161-Y193 VanDerWaalsContact O-CD1 3.3Å; G161-Y193 WeakPolarHBondContact O-CD1 3.19Å; G161-Y193 PolarHBondContact O-N 3.38Å; L162-Y193 HydrophobicContact CB-CD2 4.24Å; L162-Y193 HydrophobicContact CB-CE1 4.44Å; L162-Y193 HydrophobicContact CB-CE2 3.54Å; L162-Y193 HydrophobicContact CD1-CD2 3.76Å; L162-Y193 HydrophobicContact CD1-CE2 3.63Å; L162-Y193 HydrophobicContact CG-CE2 4.13Å; D163-Y193 PolarHBondContact N-O 3.37Å; Y193-I202 HydrophobicContact CD2-CG2 4.01Å; Y193-I202 HydrophobicContact CE2-CD1 4.24Å; Y193-I202 HydrophobicContact CE2-CG1 4.37Å; Y193-I202 HydrophobicContact CE2-CG2 3.98Å; Y193-M207 HydrophobicContact CD1-CE 3.29Å; Y193-M207 HydrophobicContact CD1-CG 4.28Å; Y193-M207 HydrophobicContact CD2-CE 3.82Å; Y193-M207 HydrophobicContact CE1-CE 3.17Å; Y193-M207 HydrophobicContact CE2-CE 3.73Å; Y193-M207 HydrophobicContact CG-CE 3.61Å; Y193-M207 HydrophobicContact CG-CG 4.02Å; Y193-M207 VanDerWaalsContact CZ-CE 3.41Å; Y193-I219 HydrophobicContact CE1-CG2 4.37Å; Y193-I220 WeakPolarHBondContact CE1-O 3.45Å; Y193-I220 PolarHBondContact OH-O 3.13Å
194	K	97.9	Very high	97.9	Very high	67 Å²	67	44 Å²	44	29%	0.291	24%	0.241	S	C	.	.			trans	-127.4	166.3	-163.8	-64.2	-69.2	-170.1	154.8	0	112.8	D163 D166 D203	D163-K194 HydrophobicContact CB-CD 3.8Å; D163-K194 WeakPolarHBondContact OD2-CE 3.5Å; D163-K194 IonicContact OD2-NZ 2.81Å; D163-K194 PolarHBondContact OD2-NZ 3.11Å; D166-K194 WeakPolarHBondContact OD1-CD 3.48Å; D166-K194 IonicContact OD1-NZ 2.69Å; D166-K194 PolarHBondContact OD1-NZ 2.81Å; D166-K194 WeakPolarHBondContact OD2-CA 3.46Å; D166-K194 WeakPolarHBondContact OD2-CD 3.33Å; K194-D203 PolarHBondContact O-N 3.48Å
195	L	97.9	Very high	97.8	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.047	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	152.6	163.6	-56.7	-176.7	0	0	0	110.2	L162 D166 P197 L201 I202 Y226 P410	L162-L195 HydrophobicContact CD1-CD2 4Å; L162-L195 HydrophobicContact CD1-CG 4.4Å; L162-L195 HydrophobicContact CD2-CD2 4.46Å; D166-L195 HydrophobicContact CB-CD1 4.46Å; D166-L195 HydrophobicContact CB-CG 3.99Å; D166-L195 WeakPolarHBondContact O-CD1 3.46Å; D166-L195 WeakPolarHBondContact O-CG 3.37Å; D166-L195 PolarHBondContact OD2-N 2.89Å; L195-P197 VanDerWaalsContact O-CD 3.28Å; L195-P197 WeakPolarHBondContact O-CD 3.17Å; L195-L201 CarbonylContact C-O 3.52Å; L195-L201 WeakPolarHBondContact CA-O 3.4Å; L195-L201 WeakPolarHBondContact CB-O 3.44Å; L195-I202 HydrophobicContact CD2-CB 4.32Å; L195-I202 HydrophobicContact CD2-CG1 3.69Å; L195-Y226 HydrophobicContact CD2-CD2 4Å; L195-Y226 HydrophobicContact CD2-CE2 3.66Å; L195-P410 HydrophobicContact CD1-CG 3.84Å
196	N	96.7	Very high	97.8	Very high	54 Å²	54	54.3 Å²	54.3	29%	0.289	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	114.6	160.7	178.5	-36.4	0	0	0	108.1	A198 T199 G200 L201 D203	N196-A198 PolarHBondContact O-N 2.96Å; N196-A198 VanDerWaalsContact O-N 3.15Å; N196-A198 WeakPolarHBondContact OD1-CB 3.32Å; N196-A198 PolarHBondContact OD1-N 3.47Å; N196-T199 PolarHBondContact O-N 2.63Å; N196-T199 VanDerWaalsContact O-N 3.16Å; N196-T199 PolarHBondContact O-OG1 3.33Å; N196-G200 WeakPolarHBondContact O-CA 3.39Å; N196-G200 PolarHBondContact O-N 3.3Å; N196-L201 PolarHBondContact N-O 3.05Å; N196-D203 HydrophobicContact CB-CB 4.19Å
197	P	93.6	Very high	97.8	Very high	95 Å²	95	50.5 Å²	50.5	62%	0.617	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.9	-173.8	-23.4	35.1	0	0	0	114.5	L195 P410	L195-P197 VanDerWaalsContact O-CD 3.28Å; L195-P197 WeakPolarHBondContact O-CD 3.17Å; P197-P410 HydrophobicContact CB-CB 4.2Å
198	A	94.1	Very high	97.8	Very high	95 Å²	95	46.6 Å²	46.6	79%	0.785	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-30.4	179.3	0	0	0	0	0	112.4	N196	N196-A198 PolarHBondContact O-N 2.96Å; N196-A198 VanDerWaalsContact O-N 3.15Å; N196-A198 WeakPolarHBondContact OD1-CB 3.32Å; N196-A198 PolarHBondContact OD1-N 3.47Å
199	T	96.4	Very high	97.8	Very high	68 Å²	68	51.4 Å²	51.4	42%	0.417	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-20.9	-176.9	63.6	0	0	0	0	112.9	N196 L201 S371	N196-T199 PolarHBondContact O-N 2.63Å; N196-T199 VanDerWaalsContact O-N 3.16Å; N196-T199 PolarHBondContact O-OG1 3.33Å; T199-L201 PolarHBondContact O-N 3.39Å; T199-L201 PolarHBondContact OG1-N 3.31Å; T199-S371 VanDerWaalsContact O-CA 3.29Å; T199-S371 WeakPolarHBondContact O-CA 3.42Å
200	G	96.4	Very high	97.8	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	17.7	-171.7	0	0	0	0	0	113.6	N196 Y226	N196-G200 WeakPolarHBondContact O-CA 3.39Å; N196-G200 PolarHBondContact O-N 3.3Å; G200-Y226 WeakPolarHBondContact O-CE2 3.4Å
201	L	98.4	Very high	97.8	Very high	68 Å²	68	49.9 Å²	49.9	36%	0.356	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	155.7	178.5	-55.7	-178.2	0	0	0	110.8	L195 N196 T199 D203 Y226 R228	L195-L201 CarbonylContact C-O 3.52Å; L195-L201 WeakPolarHBondContact CA-O 3.4Å; L195-L201 WeakPolarHBondContact CB-O 3.44Å; N196-L201 PolarHBondContact N-O 3.05Å; T199-L201 PolarHBondContact O-N 3.39Å; T199-L201 PolarHBondContact OG1-N 3.31Å; L201-D203 PolarHBondContact O-N 2.83Å; L201-Y226 WeakPolarHBondContact CA-OH 3.32Å; L201-R228 HydrophobicContact CD2-CB 4.2Å; L201-R228 HydrophobicContact CD2-CG 3.6Å
202	I	98.7	Very high	97.7	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	127.9	173.4	-67.3	168.2	0	0	0	109.5	L162 Y193 L195 Y204 Y226 I230	L162-I202 HydrophobicContact CD1-CG1 4.41Å; Y193-I202 HydrophobicContact CD2-CG2 4.01Å; Y193-I202 HydrophobicContact CE2-CD1 4.24Å; Y193-I202 HydrophobicContact CE2-CG1 4.37Å; Y193-I202 HydrophobicContact CE2-CG2 3.98Å; L195-I202 HydrophobicContact CD2-CB 4.32Å; L195-I202 HydrophobicContact CD2-CG1 3.69Å; I202-Y204 VanDerWaalsContact C-N 3.33Å; I202-Y204 HydrophobicContact CB-CD2 4.29Å; I202-Y204 HydrophobicContact CB-CE1 4.24Å; I202-Y204 HydrophobicContact CB-CE2 3.85Å; I202-Y204 HydrophobicContact CG2-CD1 3.85Å; I202-Y204 HydrophobicContact CG2-CD2 4.18Å; I202-Y204 HydrophobicContact CG2-CE1 3.73Å; I202-Y204 HydrophobicContact CG2-CE2 4.08Å; I202-Y204 HydrophobicContact CG2-CG 4.07Å; I202-Y204 VanDerWaalsContact O-CD2 3.23Å; I202-Y204 WeakPolarHBondContact O-CD2 3.35Å; I202-Y204 PolarHBondContact O-N 2.64Å; I202-Y226 HydrophobicContact CD1-CE1 4.06Å; I202-Y226 HydrophobicContact CG1-CE1 4.32Å; I202-Y226 HydrophobicContact CG1-CE2 4.13Å; I202-Y226 PolarHBondContact N-OH 3.2Å; I202-Y226 VanDerWaalsContact N-OH 3.11Å; I202-I230 HydrophobicContact CD1-CG1 4.4Å
203	D	98.6	Very high	97.7	Very high	38 Å²	38	57 Å²	57	20%	0.203	31%	0.305	C	S	.	.			trans	-81.7	83.7	174.2	-166.2	-30.8	0	0	0	109.5	K194 N196 L201 E205 Q206 M207	K194-D203 PolarHBondContact O-N 3.48Å; N196-D203 HydrophobicContact CB-CB 4.19Å; L201-D203 PolarHBondContact O-N 2.83Å; D203-E205 PolarHBondContact O-N 2.88Å; D203-E205 PolarHBondContact OD1-N 3.33Å; D203-Q206 HydrophobicContact CB-CB 4Å; D203-Q206 VanDerWaalsContact CG-CB 3.46Å; D203-Q206 PolarHBondContact O-N 2.81Å; D203-Q206 WeakPolarHBondContact OD1-CB 3.48Å; D203-Q206 PolarHBondContact OD1-N 2.78Å; D203-M207 WeakPolarHBondContact O-CB 3.41Å; D203-M207 PolarHBondContact O-N 3.21Å
204	Y	98.7	Very high	97.7	Very high	26 Å²	26	58.6 Å²	58.6	10%	0.102	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-27.3	-178.7	-66.2	-78	0	0	0	113	I202 M207 E208 D231 R234 I235	I202-Y204 VanDerWaalsContact C-N 3.33Å; I202-Y204 HydrophobicContact CB-CD2 4.29Å; I202-Y204 HydrophobicContact CB-CE1 4.24Å; I202-Y204 HydrophobicContact CB-CE2 3.85Å; I202-Y204 HydrophobicContact CG2-CD1 3.85Å; I202-Y204 HydrophobicContact CG2-CD2 4.18Å; I202-Y204 HydrophobicContact CG2-CE1 3.73Å; I202-Y204 HydrophobicContact CG2-CE2 4.08Å; I202-Y204 HydrophobicContact CG2-CG 4.07Å; I202-Y204 VanDerWaalsContact O-CD2 3.23Å; I202-Y204 WeakPolarHBondContact O-CD2 3.35Å; I202-Y204 PolarHBondContact O-N 2.64Å; Y204-M207 HydrophobicContact CD1-SD 4.31Å; Y204-E208 WeakPolarHBondContact O-CB 3.3Å; Y204-E208 VanDerWaalsContact O-CG 3.27Å; Y204-E208 WeakPolarHBondContact O-CG 3.29Å; Y204-E208 PolarHBondContact O-N 2.8Å; Y204-D231 HydrophobicContact CE1-CB 4.21Å; Y204-D231 HydrophobicContact CE2-CB 4.21Å; Y204-D231 PolarHBondContact OH-N 3.4Å; Y204-R234 VanDerWaalsContact CB-NE 3.3Å; Y204-R234 HydrophobicContact CD1-CG 4.36Å; Y204-I235 HydrophobicContact CD1-CG1 4.27Å; Y204-I235 HydrophobicContact CE1-CD1 4.06Å; Y204-I235 HydrophobicContact CE1-CG1 3.86Å
205	E	98.4	Very high	97.8	Very high	143 Å²	143	62.2 Å²	62.2	67%	0.668	32%	0.324	S	S	*	.	H	α-helix	trans	-70.4	-47.2	177.3	-67.3	-178.4	-177.9	0	0	110.6	D203 M207 E208 M209	D203-E205 PolarHBondContact O-N 2.88Å; D203-E205 PolarHBondContact OD1-N 3.33Å; E205-M207 VanDerWaalsContact C-N 3.32Å; E205-M207 PolarHBondContact O-N 3.02Å; E205-E208 PolarHBondContact O-N 3.05Å; E205-M209 PolarHBondContact O-N 3.43Å
206	Q	98.4	Very high	97.8	Very high	78 Å²	78	61.9 Å²	61.9	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-40.1	173.7	-170.7	-178.4	48.1	0	0	111.4	D203 M209 T210	D203-Q206 HydrophobicContact CB-CB 4Å; D203-Q206 VanDerWaalsContact CG-CB 3.46Å; D203-Q206 PolarHBondContact O-N 2.81Å; D203-Q206 WeakPolarHBondContact OD1-CB 3.48Å; D203-Q206 PolarHBondContact OD1-N 2.78Å; Q206-M209 HydrophobicContact CG-CE 4.23Å; Q206-M209 PolarHBondContact O-N 3.14Å; Q206-T210 HydrophobicContact CG-CG2 4.19Å; Q206-T210 WeakPolarHBondContact O-CB 3.42Å; Q206-T210 WeakPolarHBondContact O-CG2 3.41Å; Q206-T210 PolarHBondContact O-N 3.46Å; Q206-T210 PolarHBondContact O-OG1 2.97Å
207	M	98.7	Very high	97.9	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-57	-49.7	174.2	-175	-159.3	-133.3	0	0	111.4	Y193 D203 Y204 E205 M209 T210 A211 I219 I235 L238	Y193-M207 HydrophobicContact CD1-CE 3.29Å; Y193-M207 HydrophobicContact CD1-CG 4.28Å; Y193-M207 HydrophobicContact CD2-CE 3.82Å; Y193-M207 HydrophobicContact CE1-CE 3.17Å; Y193-M207 HydrophobicContact CE2-CE 3.73Å; Y193-M207 HydrophobicContact CG-CE 3.61Å; Y193-M207 HydrophobicContact CG-CG 4.02Å; Y193-M207 VanDerWaalsContact CZ-CE 3.41Å; D203-M207 WeakPolarHBondContact O-CB 3.41Å; D203-M207 PolarHBondContact O-N 3.21Å; Y204-M207 HydrophobicContact CD1-SD 4.31Å; E205-M207 VanDerWaalsContact C-N 3.32Å; E205-M207 PolarHBondContact O-N 3.02Å; M207-M209 PolarHBondContact O-N 3.01Å; M207-T210 PolarHBondContact O-N 3.12Å; M207-T210 PolarHBondContact O-OG1 3.45Å; M207-A211 WeakPolarHBondContact O-CB 3.38Å; M207-A211 PolarHBondContact O-N 3.06Å; M207-I219 HydrophobicContact CE-CG2 3.62Å; M207-I235 HydrophobicContact CE-CD1 4.2Å; M207-I235 HydrophobicContact CE-CG1 4.26Å; M207-I235 HydrophobicContact CE-CG2 4.43Å; M207-I235 HydrophobicContact SD-CG1 4.18Å; M207-L238 HydrophobicContact CG-CD2 4.19Å; M207-L238 HydrophobicContact SD-CD2 4.12Å
208	E	98.6	Very high	98.2	Very high	54 Å²	54	60.6 Å²	60.6	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-42.5	179.5	-75.6	175.7	-139.3	0	0	112.3	Y204 E205 K212 R234 L238	Y204-E208 WeakPolarHBondContact O-CB 3.3Å; Y204-E208 VanDerWaalsContact O-CG 3.27Å; Y204-E208 WeakPolarHBondContact O-CG 3.29Å; Y204-E208 PolarHBondContact O-N 2.8Å; E205-E208 PolarHBondContact O-N 3.05Å; E208-K212 VanDerWaalsContact O-CG 3.31Å; E208-K212 WeakPolarHBondContact O-CG 3.16Å; E208-K212 PolarHBondContact O-N 3.4Å; E208-R234 IonicContact OE1-CZ 3.65Å; E208-R234 IonicContact OE1-NE 3.81Å; E208-R234 PolarHBondContact OE1-NE 2.93Å; E208-R234 IonicContact OE1-NH2 2.68Å; E208-R234 PolarHBondContact OE1-NH2 3.46Å; E208-L238 HydrophobicContact CB-CD1 4.38Å; E208-L238 HydrophobicContact CB-CD2 4.49Å; E208-L238 HydrophobicContact CG-CB 4.4Å; E208-L238 HydrophobicContact CG-CD1 4.17Å; E208-L238 HydrophobicContact CG-CD2 4Å; E208-L238 HydrophobicContact CG-CG 4.41Å
209	M	98.4	Very high	98.4	Very high	107 Å²	107	56.1 Å²	56.1	53%	0.527	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-53.2	176.8	178.9	-172.4	67.7	0	0	111.1	E205 Q206 M207 A211 K212 L213	E205-M209 PolarHBondContact O-N 3.43Å; Q206-M209 HydrophobicContact CG-CE 4.23Å; Q206-M209 PolarHBondContact O-N 3.14Å; M207-M209 PolarHBondContact O-N 3.01Å; M209-A211 PolarHBondContact O-N 3.26Å; M209-K212 PolarHBondContact O-N 3.44Å; M209-L213 PolarHBondContact O-N 2.84Å
210	T	98.7	Very high	98.5	Very high	30 Å²	30	52.9 Å²	52.9	18%	0.184	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-35.2	-176	53.9	0	0	0	0	112.1	M160 Q206 M207 K212 L213 F214	M160-T210 WeakPolarHBondContact CE-OG1 3.37Å; Q206-T210 HydrophobicContact CG-CG2 4.19Å; Q206-T210 WeakPolarHBondContact O-CB 3.42Å; Q206-T210 WeakPolarHBondContact O-CG2 3.41Å; Q206-T210 PolarHBondContact O-N 3.46Å; Q206-T210 PolarHBondContact O-OG1 2.97Å; M207-T210 PolarHBondContact O-N 3.12Å; M207-T210 PolarHBondContact O-OG1 3.45Å; T210-K212 VanDerWaalsContact C-N 3.35Å; T210-K212 PolarHBondContact O-N 3.21Å; T210-L213 PolarHBondContact O-N 2.93Å; T210-F214 VanDerWaalsContact O-CB 3.32Å; T210-F214 WeakPolarHBondContact O-CB 3.47Å; T210-F214 PolarHBondContact O-N 3.09Å
211	A	98.7	Very high	98.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-34.8	174.3	0	0	0	0	0	113.1	M160 M207 M209 L213 R215 P216 I219 L238 I242	M160-A211 HydrophobicContact CE-CB 4.29Å; M160-A211 VanDerWaalsContact SD-CA 3.58Å; M160-A211 HydrophobicContact SD-CB 3.7Å; M207-A211 WeakPolarHBondContact O-CB 3.38Å; M207-A211 PolarHBondContact O-N 3.06Å; M209-A211 PolarHBondContact O-N 3.26Å; A211-L213 VanDerWaalsContact C-N 3.29Å; A211-L213 PolarHBondContact O-N 2.69Å; A211-R215 WeakPolarHBondContact O-CA 3.47Å; A211-R215 PolarHBondContact O-N 3.41Å; A211-P216 HydrophobicContact CB-CG 4.25Å; A211-P216 VanDerWaalsContact O-CD 3.29Å; A211-P216 WeakPolarHBondContact O-CD 3.29Å; A211-I219 HydrophobicContact CB-CD1 4.31Å; A211-L238 HydrophobicContact CB-CD1 4.19Å; A211-L238 HydrophobicContact CB-CD2 3.91Å; A211-L238 HydrophobicContact CB-CG 4.42Å; A211-I242 HydrophobicContact CB-CD1 4.08Å
212	K	97.8	Very high	98.6	Very high	110 Å²	110	49.5 Å²	49.5	48%	0.478	23%	0.226	S	C	.	.	H	α-helix	trans	-67	-30	174.7	-73.4	167.6	-175.3	167	0	112.7	E208 M209 T210 R215 I242	E208-K212 VanDerWaalsContact O-CG 3.31Å; E208-K212 WeakPolarHBondContact O-CG 3.16Å; E208-K212 PolarHBondContact O-N 3.4Å; M209-K212 PolarHBondContact O-N 3.44Å; T210-K212 VanDerWaalsContact C-N 3.35Å; T210-K212 PolarHBondContact O-N 3.21Å; K212-R215 WeakPolarHBondContact O-CD 3.42Å; K212-R215 PolarHBondContact O-NE 2.76Å; K212-I242 HydrophobicContact CG-CG2 4.42Å
213	L	98.4	Very high	98.6	Very high	138 Å²	138	50 Å²	50	72%	0.723	23%	0.229	S	C	*	.	H	α-helix	trans	-81.3	-47.9	176.1	-63.2	174.2	0	0	0	111.4	M209 T210 A211	M209-L213 PolarHBondContact O-N 2.84Å; T210-L213 PolarHBondContact O-N 2.93Å; A211-L213 VanDerWaalsContact C-N 3.29Å; A211-L213 PolarHBondContact O-N 2.69Å
214	F	98.8	Very high	98.6	Very high	36 Å²	36	48.9 Å²	48.9	16%	0.158	22%	0.224	C	C	.	.	H	α-helix	trans	-79.3	-24.3	-175	-173.7	-116.1	0	0	0	113.6	R158 M160 E189 M191 T210 P216	R158-F214 HydrophobicContact CB-CD1 4.23Å; R158-F214 HydrophobicContact CB-CE1 3.59Å; R158-F214 HydrophobicContact CB-CZ 3.83Å; R158-F214 WeakPolarHBondContact CD-O 3.41Å; R158-F214 HydrophobicContact CG-CE1 3.93Å; R158-F214 HydrophobicContact CG-CE2 4.1Å; R158-F214 HydrophobicContact CG-CZ 3.64Å; R158-F214 PolarHBondContact NH1-O 3.05Å; M160-F214 HydrophobicContact CG-CD1 3.74Å; M160-F214 HydrophobicContact CG-CE1 4.11Å; M160-F214 HydrophobicContact SD-CD1 4.05Å; E189-F214 HydrophobicContact CB-CZ 4.48Å; E189-F214 WeakPolarHBondContact O-CZ 3.49Å; M191-F214 HydrophobicContact CB-CD1 3.76Å; M191-F214 HydrophobicContact CB-CD2 4.07Å; M191-F214 HydrophobicContact CB-CE1 3.5Å; M191-F214 HydrophobicContact CB-CE2 3.85Å; M191-F214 HydrophobicContact CB-CG 4.03Å; M191-F214 HydrophobicContact CB-CZ 3.56Å; M191-F214 HydrophobicContact CE-CB 3.29Å; M191-F214 HydrophobicContact CE-CD1 3.89Å; M191-F214 HydrophobicContact CE-CD2 4.23Å; M191-F214 HydrophobicContact CE-CG 3.57Å; M191-F214 HydrophobicContact SD-CB 3.86Å; M191-F214 HydrophobicContact SD-CD1 4.33Å; M191-F214 HydrophobicContact SD-CD2 3.76Å; M191-F214 HydrophobicContact SD-CE2 4.38Å; M191-F214 HydrophobicContact SD-CG 3.74Å; T210-F214 VanDerWaalsContact O-CB 3.32Å; T210-F214 WeakPolarHBondContact O-CB 3.47Å; T210-F214 PolarHBondContact O-N 3.09Å; F214-P216 HydrophobicContact CD1-CB 4.35Å
215	R	98.6	Very high	98.5	Very high	144 Å²	144	47.8 Å²	47.8	54%	0.543	22%	0.22	S	C	.	.			trans	52.6	59.3	179	-57.7	-66	-177	167.6	-0.1	112.7	A211 K212	A211-R215 WeakPolarHBondContact O-CA 3.47Å; A211-R215 PolarHBondContact O-N 3.41Å; K212-R215 WeakPolarHBondContact O-CD 3.42Å; K212-R215 PolarHBondContact O-NE 2.76Å
216	P	98.8	Very high	98.5	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.013	19%	0.19	C	C	.	.			trans	-60.6	149	174	29.8	-36.8	0	0	0	111.2	R158 M160 A211 F214 I219 I242 A244	R158-P216 WeakPolarHBondContact O-CA 3.42Å; M160-P216 HydrophobicContact CB-CB 4.33Å; M160-P216 HydrophobicContact CB-CG 4.47Å; M160-P216 HydrophobicContact CG-CB 3.91Å; M160-P216 HydrophobicContact CG-CG 3.98Å; M160-P216 HydrophobicContact SD-CB 4.27Å; M160-P216 HydrophobicContact SD-CG 3.68Å; A211-P216 HydrophobicContact CB-CG 4.25Å; A211-P216 VanDerWaalsContact O-CD 3.29Å; A211-P216 WeakPolarHBondContact O-CD 3.29Å; F214-P216 HydrophobicContact CD1-CB 4.35Å; P216-I219 HydrophobicContact CB-CG1 4.27Å; P216-I219 HydrophobicContact CG-CD1 4.03Å; P216-I219 HydrophobicContact CG-CG1 3.75Å; P216-I242 HydrophobicContact CG-CD1 3.7Å; P216-A244 WeakPolarHBondContact O-CB 3.34Å
217	R	98.8	Very high	98.6	Very high	122 Å²	122	37.7 Å²	37.7	46%	0.46	17%	0.173	S	C	.	.	S	Bend	trans	-88.5	-20.5	170.3	-60	-64.3	-75.4	173.5	-6.7	111.4	L153 D157 R158 A244 Y245	L153-R217 HydrophobicContact CD2-CB 3.45Å; L153-R217 VanDerWaalsContact CD2-CB 3.45Å; D157-R217 HydrophobicContact CB-CB 4.45Å; D157-R217 HydrophobicContact CB-CG 4.07Å; R158-R217 PolarHBondContact O-N 3.27Å; R217-A244 CarbonylContact O-C 3.54Å; R217-A244 WeakPolarHBondContact O-CA 3.43Å; R217-Y245 PolarHBondContact O-N 3.49Å
218	L	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	134	176.3	-177.2	150.3	0	0	0	110.3	V148 Y149 V152 L153 R158 I159 M160 I220 Y245 L247	V148-L218 HydrophobicContact CG1-CD1 4.17Å; Y149-L218 HydrophobicContact CD1-CD1 4.43Å; Y149-L218 HydrophobicContact CD1-CD2 4.49Å; Y149-L218 HydrophobicContact CE1-CD2 4.3Å; V152-L218 HydrophobicContact CG2-CD1 3.74Å; L153-L218 HydrophobicContact CD1-CB 4.18Å; L153-L218 HydrophobicContact CD2-CB 4.09Å; R158-L218 PolarHBondContact O-N 2.76Å; I159-L218 WeakPolarHBondContact CA-O 3.15Å; I159-L218 HydrophobicContact CG2-CD2 4.12Å; M160-L218 PolarHBondContact N-O 2.86Å; L218-I220 HydrophobicContact CD2-CD1 4.18Å; L218-I220 HydrophobicContact CD2-CG1 3.43Å; L218-I220 VanDerWaalsContact CD2-CG1 3.43Å; L218-Y245 WeakPolarHBondContact CA-O 3.21Å; L218-L247 HydrophobicContact CD1-CB 4.22Å; L218-L247 HydrophobicContact CD2-CB 3.92Å; L218-L247 HydrophobicContact CD2-CD2 4.3Å; L218-L247 HydrophobicContact CG-CB 4.21Å
219	I	98.9	Very high	98.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.5	170.6	-54.6	-173.6	0	0	0	108.8	M160 Y193 M207 A211 P216 I235 L238 I242 A244 Y245 L247	M160-I219 HydrophobicContact CB-CG1 4.47Å; M160-I219 CarbonylContact O-C 3.55Å; M160-I219 WeakPolarHBondContact O-CA 3.32Å; Y193-I219 HydrophobicContact CE1-CG2 4.37Å; M207-I219 HydrophobicContact CE-CG2 3.62Å; A211-I219 HydrophobicContact CB-CD1 4.31Å; P216-I219 HydrophobicContact CB-CG1 4.27Å; P216-I219 HydrophobicContact CG-CD1 4.03Å; P216-I219 HydrophobicContact CG-CG1 3.75Å; I219-I235 HydrophobicContact CB-CG2 4.43Å; I219-I235 HydrophobicContact CG2-CG2 3.89Å; I219-L238 HydrophobicContact CD1-CD2 3.73Å; I219-L238 HydrophobicContact CD1-CG 4.03Å; I219-I242 HydrophobicContact CD1-CD1 4.03Å; I219-A244 HydrophobicContact CG1-CB 4.47Å; I219-Y245 PolarHBondContact N-O 2.98Å; I219-L247 PolarHBondContact O-N 3.39Å
220	I	98.9	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.5	-179.5	-51.7	172.6	0	0	0	109.7	Y149 I159 M160 H172 Y193 L218 L247 D249	Y149-I220 HydrophobicContact CE1-CD1 3.94Å; Y149-I220 VanDerWaalsContact OH-CD1 3.28Å; Y149-I220 WeakPolarHBondContact OH-CD1 3.16Å; I159-I220 HydrophobicContact CG2-CD1 3.63Å; I159-I220 HydrophobicContact CG2-CG1 4.06Å; M160-I220 PolarHBondContact O-N 3.37Å; H172-I220 HydrophobicContact CB-CD1 3.73Å; Y193-I220 WeakPolarHBondContact CE1-O 3.45Å; Y193-I220 PolarHBondContact OH-O 3.13Å; L218-I220 HydrophobicContact CD2-CD1 4.18Å; L218-I220 HydrophobicContact CD2-CG1 3.43Å; L218-I220 VanDerWaalsContact CD2-CG1 3.43Å; I220-L247 CarbonylContact C-O 3.13Å; I220-L247 VanDerWaalsContact CA-O 3.31Å; I220-L247 WeakPolarHBondContact CA-O 3.35Å; I220-L247 HydrophobicContact CG1-CD2 4.24Å; I220-D249 HydrophobicContact CG2-CB 4.31Å
221	A	98.9	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	83.4	172.5	0	0	0	0	0	109.7	I230 Y232 I235 L246 L247 A248 D249	A221-I230 HydrophobicContact CB-CG2 4.25Å; A221-Y232 HydrophobicContact CB-CD1 3.92Å; A221-Y232 HydrophobicContact CB-CE1 3.91Å; A221-I235 HydrophobicContact CB-CD1 3.58Å; A221-L246 HydrophobicContact CB-CD1 3.68Å; A221-L247 PolarHBondContact N-O 2.94Å; A221-A248 WeakPolarHBondContact O-CA 3.43Å; A221-D249 PolarHBondContact O-N 3.35Å
222	G	98.6	Very high	98.6	Very high	1 Å²	1	39 Å²	39	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	151.7	-179	0	0	0	0	0	111.8	H172 D249	H172-G222 PolarHBondContact CE1-O 2.64Å; G222-D249 WeakPolarHBondContact CA-O 3.28Å
223	T	98.6	Very high	98.6	Very high	19 Å²	19	36 Å²	36	12%	0.117	17%	0.173	C	C	.	.			trans	-145.8	147.3	-168.6	60.3	0	0	0	0	112.1	L162 G167 Y226 I230	L162-T223 HydrophobicContact CD2-CG2 3.54Å; G167-T223 CarbonylContact O-C 3.52Å; G167-T223 WeakPolarHBondContact O-CA 3.31Å; T223-Y226 HydrophobicContact CG2-CD1 4.17Å; T223-Y226 HydrophobicContact CG2-CG 4.11Å; T223-I230 HydrophobicContact CG2-CD1 4.05Å
224	S	97.7	Very high	98.6	Very high	13 Å²	13	33.1 Å²	33.1	9%	0.091	15%	0.153	C	C	.	.	S	Bend	trans	-96.1	-35.1	169.8	-46.2	0	0	0	0	112.5	G167 G168 H169 H252 R422	G167-S224 PolarHBondContact O-N 2.89Å; G168-S224 WeakPolarHBondContact O-CB 3.46Å; G168-S224 PolarHBondContact O-OG 3.25Å; H169-S224 VanDerWaalsContact CB-OG 3.31Å; H169-S224 WeakPolarHBondContact CB-OG 3.45Å; H169-S224 PolarHBondContact CD2-OG 2.86Å; H169-S224 VanDerWaalsContact CD2-OG 3.28Å; S224-H252 PolarHBondContact O-CE1 3.38Å; S224-H252 VanDerWaalsContact O-CE1 3.27Å; S224-R422 PolarHBondContact O-NH1 2.88Å
225	A	97.7	Very high	98.6	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	15%	0.145	C	C	.	.	S	Bend	trans	-138	71.6	-171.9	0	0	0	0	0	109.5	G167 L380 N407	G167-A225 VanDerWaalsContact CA-O 3.26Å; G167-A225 WeakPolarHBondContact CA-O 3.24Å; G167-A225 PolarHBondContact O-N 3.22Å; A225-L380 HydrophobicContact CB-CD2 4.05Å; A225-L380 WeakPolarHBondContact O-CD1 3.49Å; A225-N407 VanDerWaalsContact CB-OD1 3.31Å; A225-N407 WeakPolarHBondContact CB-OD1 3.49Å
226	Y	98.6	Very high	98.6	Very high	8 Å²	8	26.5 Å²	26.5	3%	0.031	13%	0.128	C	C	.	.			trans	-142.2	122.4	175.9	-171.9	-118.8	0	0	0	108.4	L195 G200 L201 I202 T223 R228 I230 N376	L195-Y226 HydrophobicContact CD2-CD2 4Å; L195-Y226 HydrophobicContact CD2-CE2 3.66Å; G200-Y226 WeakPolarHBondContact O-CE2 3.4Å; L201-Y226 WeakPolarHBondContact CA-OH 3.32Å; I202-Y226 HydrophobicContact CD1-CE1 4.06Å; I202-Y226 HydrophobicContact CG1-CE1 4.32Å; I202-Y226 HydrophobicContact CG1-CE2 4.13Å; I202-Y226 PolarHBondContact N-OH 3.2Å; I202-Y226 VanDerWaalsContact N-OH 3.11Å; T223-Y226 HydrophobicContact CG2-CD1 4.17Å; T223-Y226 HydrophobicContact CG2-CG 4.11Å; Y226-R228 VanDerWaalsContact C-N 3.3Å; Y226-R228 HydrophobicContact CD1-CB 4.26Å; Y226-R228 WeakPolarHBondContact CD1-O 3.32Å; Y226-R228 HydrophobicContact CE1-CB 3.67Å; Y226-R228 WeakPolarHBondContact CE1-O 3.39Å; Y226-R228 HydrophobicContact CE2-CB 4.46Å; Y226-R228 PolarHBondContact O-N 3.24Å; Y226-I230 HydrophobicContact CD1-CG1 4.48Å; Y226-I230 HydrophobicContact CE1-CG1 4.49Å; Y226-N376 PolarHBondContact O-ND2 2.91Å
227	A	98.6	Very high	98.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.008	16%	0.162	C	C	.	.			trans	-87.1	1.1	-171.3	0	0	0	0	0	113.5	G373 T374 D375 L378	A227-G373 WeakPolarHBondContact CB-O 3.38Å; A227-T374 CarbonylContact O-C 3.49Å; A227-T374 WeakPolarHBondContact O-CA 3.26Å; A227-T374 PolarHBondContact O-OG1 2.85Å; A227-D375 PolarHBondContact O-N 2.64Å; A227-L378 HydrophobicContact CB-CD1 3.98Å
228	R	98.8	Very high	98.6	Very high	51 Å²	51	29.4 Å²	29.4	19%	0.192	14%	0.144	C	C	.	.	S	Bend	trans	-117.2	169.4	-175.3	-58.3	-65.3	179.6	-177.5	2.5	110.9	L201 Y226 S371 D375	L201-R228 HydrophobicContact CD2-CB 4.2Å; L201-R228 HydrophobicContact CD2-CG 3.6Å; Y226-R228 VanDerWaalsContact C-N 3.3Å; Y226-R228 HydrophobicContact CD1-CB 4.26Å; Y226-R228 WeakPolarHBondContact CD1-O 3.32Å; Y226-R228 HydrophobicContact CE1-CB 3.67Å; Y226-R228 WeakPolarHBondContact CE1-O 3.39Å; Y226-R228 HydrophobicContact CE2-CB 4.46Å; Y226-R228 PolarHBondContact O-N 3.24Å; R228-S371 WeakPolarHBondContact CG-OG 3.38Å; R228-S371 PolarHBondContact NE-OG 3.46Å; R228-S371 PolarHBondContact NH2-O 3.47Å; R228-D375 WeakPolarHBondContact CD-OD2 3.22Å; R228-D375 IonicContact CZ-OD2 2.86Å; R228-D375 IonicContact NE-OD2 2.85Å; R228-D375 IonicContact NH1-OD1 3.41Å; R228-D375 PolarHBondContact NH1-OD1 3.04Å; R228-D375 VanDerWaalsContact NH1-OD1 3.13Å; R228-D375 IonicContact NH1-OD2 2.93Å; R228-D375 PolarHBondContact NH1-OD2 3.22Å
229	L	98.8	Very high	98.5	Very high	66 Å²	66	29.5 Å²	29.5	35%	0.346	14%	0.144	S	C	.	.			trans	-86.1	144.1	176.8	-55.6	175.8	0	0	0	109.9	V262 P263 D375	L229-V262 HydrophobicContact CD2-CB 3.93Å; L229-V262 HydrophobicContact CD2-CG1 3.78Å; L229-P263 HydrophobicContact CD1-CG 4.21Å; L229-D375 HydrophobicContact CD1-CB 4.29Å; L229-D375 HydrophobicContact CG-CB 3.94Å
230	I	98.8	Very high	98.4	Very high	15 Å²	15	34.1 Å²	34.1	8%	0.077	17%	0.173	C	C	.	.			trans	-83.6	133.4	179.1	-58.4	174.3	0	0	0	108.9	I202 A221 T223 Y226 Y232 I235	I202-I230 HydrophobicContact CD1-CG1 4.4Å; A221-I230 HydrophobicContact CB-CG2 4.25Å; T223-I230 HydrophobicContact CG2-CD1 4.05Å; Y226-I230 HydrophobicContact CD1-CG1 4.48Å; Y226-I230 HydrophobicContact CE1-CG1 4.49Å; I230-Y232 VanDerWaalsContact C-N 3.3Å; I230-Y232 HydrophobicContact CB-CD1 4.24Å; I230-Y232 HydrophobicContact CB-CE1 3.86Å; I230-Y232 HydrophobicContact CB-CE2 4.37Å; I230-Y232 HydrophobicContact CD1-CE1 4.12Å; I230-Y232 HydrophobicContact CG2-CD1 3.93Å; I230-Y232 HydrophobicContact CG2-CE1 3.92Å; I230-Y232 HydrophobicContact CG2-CG 4.5Å; I230-Y232 WeakPolarHBondContact O-CD2 3.48Å; I230-Y232 PolarHBondContact O-N 3.18Å; I230-I235 HydrophobicContact CG2-CD1 3.55Å
231	D	98.7	Very high	98.2	Very high	70 Å²	70	37.2 Å²	37.2	37%	0.374	21%	0.205	S	C	.	.			trans	-74.2	82.1	167.7	-171.9	-15.4	0	0	0	110.8	Y204 A233 R234 I235	Y204-D231 HydrophobicContact CE1-CB 4.21Å; Y204-D231 HydrophobicContact CE2-CB 4.21Å; Y204-D231 PolarHBondContact OH-N 3.4Å; D231-A233 VanDerWaalsContact C-N 3.28Å; D231-A233 PolarHBondContact O-N 2.96Å; D231-A233 PolarHBondContact OD1-N 3.33Å; D231-R234 HydrophobicContact CB-CB 4.11Å; D231-R234 PolarHBondContact O-N 2.94Å; D231-R234 WeakPolarHBondContact OD1-CB 3.21Å; D231-R234 PolarHBondContact OD1-N 3.38Å; D231-R234 WeakPolarHBondContact OD2-CB 3.46Å; D231-I235 WeakPolarHBondContact O-CG1 3.39Å; D231-I235 PolarHBondContact O-N 3.32Å
232	Y	98.8	Very high	98.1	Very high	21 Å²	21	38.3 Å²	38.3	8%	0.082	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-34.2	179.6	-64.5	-62.4	0	0	0	112.7	A221 I230 I235 K236 A248 P265	A221-Y232 HydrophobicContact CB-CD1 3.92Å; A221-Y232 HydrophobicContact CB-CE1 3.91Å; I230-Y232 VanDerWaalsContact C-N 3.3Å; I230-Y232 HydrophobicContact CB-CD1 4.24Å; I230-Y232 HydrophobicContact CB-CE1 3.86Å; I230-Y232 HydrophobicContact CB-CE2 4.37Å; I230-Y232 HydrophobicContact CD1-CE1 4.12Å; I230-Y232 HydrophobicContact CG2-CD1 3.93Å; I230-Y232 HydrophobicContact CG2-CE1 3.92Å; I230-Y232 HydrophobicContact CG2-CG 4.5Å; I230-Y232 WeakPolarHBondContact O-CD2 3.48Å; I230-Y232 PolarHBondContact O-N 3.18Å; Y232-I235 PolarHBondContact O-N 2.9Å; Y232-K236 WeakPolarHBondContact O-CB 3.41Å; Y232-K236 PolarHBondContact O-N 2.91Å; Y232-A248 HydrophobicContact CE1-CB 4.21Å; Y232-P265 HydrophobicContact CD1-CB 4.22Å; Y232-P265 HydrophobicContact CD2-CB 4.24Å; Y232-P265 HydrophobicContact CE1-CB 3.9Å; Y232-P265 HydrophobicContact CE2-CB 3.92Å; Y232-P265 HydrophobicContact CG-CB 4.39Å
233	A	98.6	Very high	98	Very high	46 Å²	46	42.9 Å²	42.9	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-44.3	179.5	0	0	0	0	0	111	D231 K236 K237	D231-A233 VanDerWaalsContact C-N 3.28Å; D231-A233 PolarHBondContact O-N 2.96Å; D231-A233 PolarHBondContact OD1-N 3.33Å; A233-K236 PolarHBondContact O-N 3.32Å; A233-K237 PolarHBondContact O-N 3.11Å
234	R	98.6	Very high	97.9	Very high	78 Å²	78	42.1 Å²	42.1	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-45.4	176.6	-175.5	166.9	-173.4	176.2	-3.3	112.3	Y204 E208 D231 K236 K237 L238	Y204-R234 VanDerWaalsContact CB-NE 3.3Å; Y204-R234 HydrophobicContact CD1-CG 4.36Å; E208-R234 IonicContact OE1-CZ 3.65Å; E208-R234 IonicContact OE1-NE 3.81Å; E208-R234 PolarHBondContact OE1-NE 2.93Å; E208-R234 IonicContact OE1-NH2 2.68Å; E208-R234 PolarHBondContact OE1-NH2 3.46Å; D231-R234 HydrophobicContact CB-CB 4.11Å; D231-R234 PolarHBondContact O-N 2.94Å; D231-R234 WeakPolarHBondContact OD1-CB 3.21Å; D231-R234 PolarHBondContact OD1-N 3.38Å; D231-R234 WeakPolarHBondContact OD2-CB 3.46Å; R234-K236 VanDerWaalsContact C-N 3.33Å; R234-K236 PolarHBondContact O-N 2.68Å; R234-K237 WeakPolarHBondContact O-CB 3.28Å; R234-K237 PolarHBondContact O-N 3.05Å; R234-L238 PolarHBondContact O-N 3.11Å; R234-L238 VanDerWaalsContact O-N 3.12Å
235	I	98.7	Very high	98	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-40.9	177	-57	174	0	0	0	110.4	Y204 M207 I219 A221 I230 D231 Y232 K237 L238 C239 L246	Y204-I235 HydrophobicContact CD1-CG1 4.27Å; Y204-I235 HydrophobicContact CE1-CD1 4.06Å; Y204-I235 HydrophobicContact CE1-CG1 3.86Å; M207-I235 HydrophobicContact CE-CD1 4.2Å; M207-I235 HydrophobicContact CE-CG1 4.26Å; M207-I235 HydrophobicContact CE-CG2 4.43Å; M207-I235 HydrophobicContact SD-CG1 4.18Å; I219-I235 HydrophobicContact CB-CG2 4.43Å; I219-I235 HydrophobicContact CG2-CG2 3.89Å; A221-I235 HydrophobicContact CB-CD1 3.58Å; I230-I235 HydrophobicContact CG2-CD1 3.55Å; D231-I235 WeakPolarHBondContact O-CG1 3.39Å; D231-I235 PolarHBondContact O-N 3.32Å; Y232-I235 PolarHBondContact O-N 2.9Å; I235-K237 PolarHBondContact O-N 3.07Å; I235-L238 WeakPolarHBondContact O-CB 3.44Å; I235-L238 PolarHBondContact O-N 2.86Å; I235-C239 PolarHBondContact O-N 2.96Å; I235-C239 PolarHBondContact O-SG 3.18Å; I235-L246 HydrophobicContact CB-CD1 4.3Å; I235-L246 HydrophobicContact CG2-CD1 3.55Å
236	K	98.1	Very high	98	Very high	40 Å²	40	42.5 Å²	42.5	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-42.4	176.8	-177.5	52.8	167	-178.6	0	112.2	Y232 A233 R234 L238 C239 T240 L246 H268 D270	Y232-K236 WeakPolarHBondContact O-CB 3.41Å; Y232-K236 PolarHBondContact O-N 2.91Å; A233-K236 PolarHBondContact O-N 3.32Å; R234-K236 VanDerWaalsContact C-N 3.33Å; R234-K236 PolarHBondContact O-N 2.68Å; K236-L238 VanDerWaalsContact C-N 3.3Å; K236-L238 PolarHBondContact O-N 3.09Å; K236-C239 PolarHBondContact O-N 3.45Å; K236-T240 PolarHBondContact O-N 3.06Å; K236-T240 PolarHBondContact O-OG1 2.94Å; K236-L246 HydrophobicContact CB-CD2 3.8Å; K236-L246 HydrophobicContact CD-CB 4.38Å; K236-L246 HydrophobicContact CD-CD2 4.25Å; K236-H268 HydrophobicContact CB-CB 3.96Å; K236-H268 WeakPolarHBondContact CD-O 3.44Å; K236-H268 WeakPolarHBondContact CE-O 3.3Å; K236-H268 HydrophobicContact CG-CB 4.28Å; K236-H268 WeakPolarHBondContact CG-O 3.44Å; K236-D270 IonicContact NZ-OD1 2.75Å; K236-D270 PolarHBondContact NZ-OD1 3.05Å; K236-D270 IonicContact NZ-OD2 3.35Å; K236-D270 PolarHBondContact NZ-OD2 3.32Å
237	K	98.3	Very high	98.1	Very high	171 Å²	171	42.1 Å²	42.1	74%	0.743	23%	0.228	S	C	*	.	H	α-helix	trans	-57.1	-44.4	174.8	-175.9	-178.7	178.1	-177	0	111.4	A233 R234 I235 G241	A233-K237 PolarHBondContact O-N 3.11Å; R234-K237 WeakPolarHBondContact O-CB 3.28Å; R234-K237 PolarHBondContact O-N 3.05Å; I235-K237 PolarHBondContact O-N 3.07Å; K237-G241 PolarHBondContact O-N 3.33Å; K237-G241 VanDerWaalsContact O-N 3.11Å
238	L	98.3	Very high	98.1	Very high	14 Å²	14	42.1 Å²	42.1	7%	0.073	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-53	174.2	173	60	0	0	0	111.4	M207 E208 A211 I219 R234 I235 K236 T240 G241 I242	M207-L238 HydrophobicContact CG-CD2 4.19Å; M207-L238 HydrophobicContact SD-CD2 4.12Å; E208-L238 HydrophobicContact CB-CD1 4.38Å; E208-L238 HydrophobicContact CB-CD2 4.49Å; E208-L238 HydrophobicContact CG-CB 4.4Å; E208-L238 HydrophobicContact CG-CD1 4.17Å; E208-L238 HydrophobicContact CG-CD2 4Å; E208-L238 HydrophobicContact CG-CG 4.41Å; A211-L238 HydrophobicContact CB-CD1 4.19Å; A211-L238 HydrophobicContact CB-CD2 3.91Å; A211-L238 HydrophobicContact CB-CG 4.42Å; I219-L238 HydrophobicContact CD1-CD2 3.73Å; I219-L238 HydrophobicContact CD1-CG 4.03Å; R234-L238 PolarHBondContact O-N 3.11Å; R234-L238 VanDerWaalsContact O-N 3.12Å; I235-L238 WeakPolarHBondContact O-CB 3.44Å; I235-L238 PolarHBondContact O-N 2.86Å; K236-L238 VanDerWaalsContact C-N 3.3Å; K236-L238 PolarHBondContact O-N 3.09Å; L238-T240 VanDerWaalsContact C-N 3.32Å; L238-T240 PolarHBondContact O-N 2.99Å; L238-G241 WeakPolarHBondContact O-CA 3.46Å; L238-G241 PolarHBondContact O-N 2.61Å; L238-I242 HydrophobicContact CD1-CD1 4.41Å; L238-I242 HydrophobicContact CD1-CG2 4.16Å; L238-I242 HydrophobicContact CG-CD1 4.48Å; L238-I242 WeakPolarHBondContact O-CG1 3.39Å; L238-I242 PolarHBondContact O-N 2.99Å; L238-I242 VanDerWaalsContact O-N 3.07Å
239	C	98.3	Very high	98.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-54.5	-45.4	179.8	-74.8	0	0	0	0	112.3	I235 K236 G241 I242 N243 A244 L246	I235-C239 PolarHBondContact O-N 2.96Å; I235-C239 PolarHBondContact O-SG 3.18Å; K236-C239 PolarHBondContact O-N 3.45Å; C239-G241 VanDerWaalsContact C-N 3.34Å; C239-G241 PolarHBondContact O-N 3.13Å; C239-I242 PolarHBondContact O-N 3Å; C239-N243 WeakPolarHBondContact O-CA 3.34Å; C239-N243 PolarHBondContact O-N 3.43Å; C239-A244 HydrophobicContact CB-CB 4.39Å; C239-A244 WeakPolarHBondContact CB-O 3.48Å; C239-A244 PolarHBondContact O-N 2.89Å; C239-L246 HydrophobicContact CB-CB 4.39Å
240	T	95.6	Very high	98.1	Very high	98 Å²	98	37.3 Å²	37.3	60%	0.601	21%	0.206	S	C	*	.	H	α-helix	trans	-60.3	-43.6	175.1	-62.7	0	0	0	0	111.5	K236 L238 I242 N243	K236-T240 PolarHBondContact O-N 3.06Å; K236-T240 PolarHBondContact O-OG1 2.94Å; L238-T240 VanDerWaalsContact C-N 3.32Å; L238-T240 PolarHBondContact O-N 2.99Å; T240-I242 VanDerWaalsContact C-N 3.3Å; T240-I242 PolarHBondContact O-N 3.26Å; T240-N243 PolarHBondContact O-N 2.91Å
241	G	95.6	Very high	98.1	Very high	65 Å²	65	37 Å²	37	67%	0.67	21%	0.206	S	C	*	.	H	α-helix	trans	-66.5	-25.8	-179.3	0	0	0	0	0	114.9	K237 L238 C239	K237-G241 PolarHBondContact O-N 3.33Å; K237-G241 VanDerWaalsContact O-N 3.11Å; L238-G241 WeakPolarHBondContact O-CA 3.46Å; L238-G241 PolarHBondContact O-N 2.61Å; C239-G241 VanDerWaalsContact C-N 3.34Å; C239-G241 PolarHBondContact O-N 3.13Å
242	I	96.8	Very high	98.1	Very high	23 Å²	23	34.2 Å²	34.2	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-110.6	6.1	178.7	68.7	173.8	0	0	0	113.7	A211 K212 P216 I219 L238 C239 T240 A244	A211-I242 HydrophobicContact CB-CD1 4.08Å; K212-I242 HydrophobicContact CG-CG2 4.42Å; P216-I242 HydrophobicContact CG-CD1 3.7Å; I219-I242 HydrophobicContact CD1-CD1 4.03Å; L238-I242 HydrophobicContact CD1-CD1 4.41Å; L238-I242 HydrophobicContact CD1-CG2 4.16Å; L238-I242 HydrophobicContact CG-CD1 4.48Å; L238-I242 WeakPolarHBondContact O-CG1 3.39Å; L238-I242 PolarHBondContact O-N 2.99Å; L238-I242 VanDerWaalsContact O-N 3.07Å; C239-I242 PolarHBondContact O-N 3Å; T240-I242 VanDerWaalsContact C-N 3.3Å; T240-I242 PolarHBondContact O-N 3.26Å; I242-A244 HydrophobicContact CD1-CB 4.01Å; I242-A244 HydrophobicContact CG1-CB 3.84Å; I242-A244 PolarHBondContact O-N 2.89Å
243	N	95.4	Very high	98.1	Very high	97 Å²	97	34.1 Å²	34.1	52%	0.519	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	47.1	-175.7	-167.9	31.5	0	0	0	113.7	C239 T240	C239-N243 WeakPolarHBondContact O-CA 3.34Å; C239-N243 PolarHBondContact O-N 3.43Å; T240-N243 PolarHBondContact O-N 2.91Å
244	A	98.1	Very high	98.1	Very high	3 Å²	3	32 Å²	32	3%	0.025	17%	0.174	C	C	.	.			trans	-104.6	157	172.5	0	0	0	0	0	111	P216 R217 I219 C239 I242	P216-A244 WeakPolarHBondContact O-CB 3.34Å; R217-A244 CarbonylContact O-C 3.54Å; R217-A244 WeakPolarHBondContact O-CA 3.43Å; I219-A244 HydrophobicContact CG1-CB 4.47Å; C239-A244 HydrophobicContact CB-CB 4.39Å; C239-A244 WeakPolarHBondContact CB-O 3.48Å; C239-A244 PolarHBondContact O-N 2.89Å; I242-A244 HydrophobicContact CD1-CB 4.01Å; I242-A244 HydrophobicContact CG1-CB 3.84Å; I242-A244 PolarHBondContact O-N 2.89Å
245	Y	98.7	Very high	98.1	Very high	24 Å²	24	28.2 Å²	28.2	9%	0.094	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	143.8	165.6	-67.8	-71.1	0	0	0	110.9	V152 R217 L218 I219 D270 R295 L308	V152-Y245 HydrophobicContact CB-CD2 4.02Å; V152-Y245 HydrophobicContact CB-CE2 3.8Å; V152-Y245 HydrophobicContact CG1-CE2 4.41Å; V152-Y245 HydrophobicContact CG2-CD2 3.91Å; V152-Y245 HydrophobicContact CG2-CE2 4.22Å; R217-Y245 PolarHBondContact O-N 3.49Å; L218-Y245 WeakPolarHBondContact CA-O 3.21Å; I219-Y245 PolarHBondContact N-O 2.98Å; Y245-D270 HydrophobicContact CD1-CB 3.99Å; Y245-R295 VanDerWaalsContact CE1-CZ 3.41Å; Y245-R295 VanDerWaalsContact CZ-NH1 3.33Å; Y245-R295 PolarHBondContact OH-NH1 2.89Å; Y245-L308 HydrophobicContact CE1-CD2 4.02Å
246	L	98.8	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113	163.2	175.8	54.1	0	0	0	109.4	A221 I235 K236 C239 H268 A269 D270 L271	A221-L246 HydrophobicContact CB-CD1 3.68Å; I235-L246 HydrophobicContact CB-CD1 4.3Å; I235-L246 HydrophobicContact CG2-CD1 3.55Å; K236-L246 HydrophobicContact CB-CD2 3.8Å; K236-L246 HydrophobicContact CD-CB 4.38Å; K236-L246 HydrophobicContact CD-CD2 4.25Å; C239-L246 HydrophobicContact CB-CB 4.39Å; L246-H268 HydrophobicContact CD2-CB 4.28Å; L246-A269 HydrophobicContact CD2-CB 4.39Å; L246-A269 HydrophobicContact CG-CB 4.17Å; L246-D270 PolarHBondContact N-OD2 3.42Å; L246-D270 PolarHBondContact O-N 3.14Å; L246-L271 PolarHBondContact O-N 2.98Å
247	L	98.9	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.5	166.2	172.3	59.5	0	0	0	109.1	V148 Y149 L218 I219 I220 A221 L271 T273	V148-L247 HydrophobicContact CG1-CD1 4.21Å; V148-L247 HydrophobicContact CG1-CD2 3.95Å; Y149-L247 HydrophobicContact CD1-CD2 4.47Å; Y149-L247 HydrophobicContact CE1-CD2 3.65Å; L218-L247 HydrophobicContact CD1-CB 4.22Å; L218-L247 HydrophobicContact CD2-CB 3.92Å; L218-L247 HydrophobicContact CD2-CD2 4.3Å; L218-L247 HydrophobicContact CG-CB 4.21Å; I219-L247 PolarHBondContact O-N 3.39Å; I220-L247 CarbonylContact C-O 3.13Å; I220-L247 VanDerWaalsContact CA-O 3.31Å; I220-L247 WeakPolarHBondContact CA-O 3.35Å; I220-L247 HydrophobicContact CG1-CD2 4.24Å; A221-L247 PolarHBondContact N-O 2.94Å; L247-L271 WeakPolarHBondContact CA-O 3.17Å; L247-L271 HydrophobicContact CD1-CB 3.75Å; L247-T273 HydrophobicContact CD1-CG2 3.84Å
248	A	98.9	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.3	166.6	0	0	0	0	0	110.3	A221 Y232 P265 A269 L271 V272 T273	A221-A248 WeakPolarHBondContact O-CA 3.43Å; Y232-A248 HydrophobicContact CE1-CB 4.21Å; A248-P265 HydrophobicContact CB-CB 3.46Å; A248-P265 VanDerWaalsContact CB-CB 3.46Å; A248-P265 HydrophobicContact CB-CG 4.25Å; A248-A269 HydrophobicContact CB-CB 3.88Å; A248-L271 PolarHBondContact N-O 2.62Å; A248-V272 HydrophobicContact CB-CG1 4.4Å; A248-V272 HydrophobicContact CB-CG2 4.27Å; A248-V272 CarbonylContact O-C 3.56Å; A248-V272 VanDerWaalsContact O-CA 3.25Å; A248-V272 WeakPolarHBondContact O-CA 3.22Å; A248-V272 WeakPolarHBondContact O-CG1 3.43Å; A248-T273 PolarHBondContact O-N 3.29Å
249	D	98.9	Very high	98.2	Very high	15 Å²	15	18.5 Å²	18.5	8%	0.08	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	98.1	169.7	-178.3	-11.8	0	0	0	108.4	N145 H172 I220 A221 G222 A251	N145-D249 PolarHBondContact ND2-OD2 3.27Å; H172-D249 IonicContact CD2-OD2 3.24Å; H172-D249 IonicContact CE1-OD2 2.69Å; H172-D249 IonicContact NE2-OD2 2.64Å; H172-D249 PolarHBondContact NE2-OD2 3.27Å; I220-D249 HydrophobicContact CG2-CB 4.31Å; A221-D249 PolarHBondContact O-N 3.35Å; G222-D249 WeakPolarHBondContact CA-O 3.28Å; D249-A251 VanDerWaalsContact C-N 3.35Å; D249-A251 WeakPolarHBondContact OD1-CB 3.31Å; D249-A251 PolarHBondContact OD1-N 3.11Å; D249-A251 VanDerWaalsContact OD1-N 3.13Å
250	M	98.9	Very high	98.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	15%	0.146	C	C	.	.			trans	-94.1	14.7	-175	70	169.6	179.1	0	0	113.3	F125 H252 V253 S254 V257 P265 F266 V272 T273 F289	F125-M250 HydrophobicContact CD1-CE 4.12Å; F125-M250 HydrophobicContact CD2-CE 4.42Å; F125-M250 HydrophobicContact CE1-CE 3.52Å; F125-M250 HydrophobicContact CE1-SD 4.04Å; F125-M250 HydrophobicContact CE2-CE 3.92Å; F125-M250 HydrophobicContact CZ-CE 3.44Å; F125-M250 VanDerWaalsContact CZ-CE 3.44Å; F125-M250 HydrophobicContact CZ-SD 4.47Å; M250-H252 PolarHBondContact O-N 3.32Å; M250-V253 HydrophobicContact CB-CG2 4.02Å; M250-V253 CarbonylContact O-C 3.59Å; M250-V253 PolarHBondContact O-N 3.37Å; M250-S254 PolarHBondContact O-N 3.44Å; M250-V257 HydrophobicContact SD-CB 4.41Å; M250-V257 HydrophobicContact SD-CG1 4.4Å; M250-V257 HydrophobicContact SD-CG2 4.43Å; M250-P265 HydrophobicContact CB-CG 4.28Å; M250-P265 HydrophobicContact SD-CG 4.13Å; M250-F266 HydrophobicContact CE-CE2 3.71Å; M250-F266 HydrophobicContact CE-CZ 3.65Å; M250-F266 HydrophobicContact SD-CE2 3.8Å; M250-F266 HydrophobicContact SD-CZ 4.25Å; M250-V272 HydrophobicContact CB-CG1 4.4Å; M250-V272 HydrophobicContact CE-CG1 3.83Å; M250-V272 HydrophobicContact CG-CG1 3.7Å; M250-V272 HydrophobicContact SD-CG1 3.73Å; M250-T273 PolarHBondContact N-O 3.33Å; M250-F289 HydrophobicContact CE-CD2 4.43Å; M250-F289 HydrophobicContact CE-CE2 4.01Å
251	A	98.9	Very high	98.4	Very high	9 Å²	9	21.9 Å²	21.9	7%	0.074	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-40.5	-171.4	0	0	0	0	0	114.6	D249 T275 K278	D249-A251 VanDerWaalsContact C-N 3.35Å; D249-A251 WeakPolarHBondContact OD1-CB 3.31Å; D249-A251 PolarHBondContact OD1-N 3.11Å; D249-A251 VanDerWaalsContact OD1-N 3.13Å; A251-T275 HydrophobicContact CB-CG2 4.12Å; A251-T275 WeakPolarHBondContact CB-OG1 3.43Å; A251-T275 PolarHBondContact O-OG1 3.11Å; A251-K278 WeakPolarHBondContact O-CD 3.28Å
252	H	98.8	Very high	98.5	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.056	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-30.6	-179.9	-97.9	-98	0	0	0	113.6	S224 M250 S279 H377 R422	S224-H252 PolarHBondContact O-CE1 3.38Å; S224-H252 VanDerWaalsContact O-CE1 3.27Å; M250-H252 PolarHBondContact O-N 3.32Å; H252-S279 WeakPolarHBondContact O-CB 3.46Å; H252-S279 PolarHBondContact O-OG 3.2Å; H252-H377 AromaticContact ND1-CE1 3.68Å; H252-H377 AromaticContact ND1-NE2 3.45Å; H252-H377 PolarHBondContact ND1-NE2 3.3Å; H252-H377 PolarHBondContact O-CE1 3.48Å; H252-H377 VanDerWaalsContact O-CE1 3.26Å; H252-R422 PolarHBondContact CE1-NH1 2.87Å
253	V	98.9	Very high	98.6	Very high	19 Å²	19	22.2 Å²	22.2	12%	0.115	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	6	-171.2	-61.3	0	0	0	0	113.6	M250 G255 L256 V257	M250-V253 HydrophobicContact CB-CG2 4.02Å; M250-V253 CarbonylContact O-C 3.59Å; M250-V253 PolarHBondContact O-N 3.37Å; V253-G255 VanDerWaalsContact C-N 3.31Å; V253-G255 PolarHBondContact O-N 3.33Å; V253-L256 HydrophobicContact CB-CB 4.44Å; V253-L256 HydrophobicContact CG1-CD2 4.47Å; V253-L256 CarbonylContact O-C 3.15Å; V253-L256 WeakPolarHBondContact O-CA 3.23Å; V253-L256 WeakPolarHBondContact O-CB 3.37Å; V253-L256 PolarHBondContact O-N 3.3Å; V253-V257 HydrophobicContact CG2-CG2 4.21Å; V253-V257 WeakPolarHBondContact O-CG2 3.36Å; V253-V257 PolarHBondContact O-N 3.08Å
254	S	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.9	-39.1	-175.7	55.7	0	0	0	0	113.6	F125 M250 L256 V257 A258 S274 S279	F125-S254 WeakPolarHBondContact CE1-O 3.38Å; M250-S254 PolarHBondContact O-N 3.44Å; S254-L256 VanDerWaalsContact C-N 3.33Å; S254-L256 PolarHBondContact O-N 3.31Å; S254-V257 PolarHBondContact O-N 3.47Å; S254-A258 WeakPolarHBondContact O-CB 3.4Å; S254-A258 PolarHBondContact O-N 3.34Å; S254-S274 WeakPolarHBondContact CB-OG 3.25Å; S254-S274 PolarHBondContact OG-OG 2.8Å; S254-S279 PolarHBondContact N-OG 3.14Å
255	G	98.8	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.7	-37.7	172	0	0	0	0	0	112.8	V253 A258 A259 S279 F344	V253-G255 VanDerWaalsContact C-N 3.31Å; V253-G255 PolarHBondContact O-N 3.33Å; G255-A258 PolarHBondContact O-N 2.69Å; G255-A259 WeakPolarHBondContact O-CB 3.44Å; G255-A259 PolarHBondContact O-N 3.11Å; G255-S279 PolarHBondContact N-OG 2.78Å; G255-F344 WeakPolarHBondContact O-CE1 3.13Å
256	L	98.9	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-40.4	178.4	-74.9	63.2	0	0	0	111.1	V253 S254 K260 A261 V262 I348 L352 N376 H377	V253-L256 HydrophobicContact CB-CB 4.44Å; V253-L256 HydrophobicContact CG1-CD2 4.47Å; V253-L256 CarbonylContact O-C 3.15Å; V253-L256 WeakPolarHBondContact O-CA 3.23Å; V253-L256 WeakPolarHBondContact O-CB 3.37Å; V253-L256 PolarHBondContact O-N 3.3Å; S254-L256 VanDerWaalsContact C-N 3.33Å; S254-L256 PolarHBondContact O-N 3.31Å; L256-K260 PolarHBondContact O-N 3.38Å; L256-A261 PolarHBondContact O-N 2.88Å; L256-V262 HydrophobicContact CB-CG1 4.1Å; L256-V262 HydrophobicContact CB-CG2 3.68Å; L256-V262 HydrophobicContact CD2-CG1 3.95Å; L256-I348 HydrophobicContact CB-CG2 4.36Å; L256-I348 HydrophobicContact CD1-CD1 4.12Å; L256-I348 HydrophobicContact CD1-CG2 4.48Å; L256-I348 HydrophobicContact CG-CG2 4.02Å; L256-L352 HydrophobicContact CD2-CD2 3.74Å; L256-L352 HydrophobicContact CG-CD2 4.42Å; L256-N376 HydrophobicContact CD2-CB 4.08Å; L256-H377 HydrophobicContact CD1-CB 4.3Å; L256-H377 HydrophobicContact CD2-CB 4.35Å
257	V	98.9	Very high	98.7	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.048	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-48.8	175.5	176.5	0	0	0	0	110.6	F125 M250 V253 S254 A259 K260 V262 F266	F125-V257 HydrophobicContact CD1-CB 4.43Å; F125-V257 HydrophobicContact CD1-CG1 3.86Å; F125-V257 HydrophobicContact CE1-CB 4.25Å; F125-V257 HydrophobicContact CE1-CG1 4.15Å; M250-V257 HydrophobicContact SD-CB 4.41Å; M250-V257 HydrophobicContact SD-CG1 4.4Å; M250-V257 HydrophobicContact SD-CG2 4.43Å; V253-V257 HydrophobicContact CG2-CG2 4.21Å; V253-V257 WeakPolarHBondContact O-CG2 3.36Å; V253-V257 PolarHBondContact O-N 3.08Å; S254-V257 PolarHBondContact O-N 3.47Å; V257-A259 PolarHBondContact O-N 2.95Å; V257-K260 WeakPolarHBondContact O-CA 3.46Å; V257-K260 PolarHBondContact O-N 2.77Å; V257-V262 HydrophobicContact CG2-CG2 3.82Å; V257-F266 HydrophobicContact CG1-CD2 4.38Å; V257-F266 HydrophobicContact CG1-CE2 4.38Å
258	A	98.8	Very high	98.7	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-59.1	-36.9	179.1	0	0	0	0	0	112.4	A124 F125 S254 G255 K260 L280 A339	A124-A258 WeakPolarHBondContact O-CA 3.49Å; F125-A258 HydrophobicContact CD1-CB 4.11Å; F125-A258 HydrophobicContact CE1-CB 3.72Å; F125-A258 HydrophobicContact CZ-CB 4.18Å; S254-A258 WeakPolarHBondContact O-CB 3.4Å; S254-A258 PolarHBondContact O-N 3.34Å; G255-A258 PolarHBondContact O-N 2.69Å; A258-K260 PolarHBondContact O-N 2.87Å; A258-L280 HydrophobicContact CB-CD1 4.2Å; A258-A339 HydrophobicContact CB-CB 4.41Å
259	A	98.8	Very high	98.6	Very high	9 Å²	9	27.1 Å²	27.1	7%	0.074	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-0.4	175.5	0	0	0	0	0	114.4	G255 V257 A261 F344 R345 I348	G255-A259 WeakPolarHBondContact O-CB 3.44Å; G255-A259 PolarHBondContact O-N 3.11Å; V257-A259 PolarHBondContact O-N 2.95Å; A259-A261 PolarHBondContact O-N 2.89Å; A259-F344 HydrophobicContact CB-CD1 4.23Å; A259-F344 HydrophobicContact CB-CE1 4.32Å; A259-R345 HydrophobicContact CB-CG 4.16Å; A259-I348 HydrophobicContact CB-CB 3.67Å; A259-I348 HydrophobicContact CB-CG1 3.64Å; A259-I348 HydrophobicContact CB-CG2 3.78Å
260	K	98.6	Very high	98.6	Very high	127 Å²	127	26.4 Å²	26.4	55%	0.552	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	30.4	-176.7	-51.2	-174.6	174.4	-164.5	0	113.4	D126 L256 V257 A258	D126-K260 IonicContact OD2-NZ 2.76Å; D126-K260 PolarHBondContact OD2-NZ 3.06Å; L256-K260 PolarHBondContact O-N 3.38Å; V257-K260 WeakPolarHBondContact O-CA 3.46Å; V257-K260 PolarHBondContact O-N 2.77Å; A258-K260 PolarHBondContact O-N 2.87Å
261	A	98.4	Very high	98.6	Very high	42 Å²	42	26.4 Å²	26.4	35%	0.347	15%	0.145	S	C	.	.	S	Bend	trans	-90.3	-16.9	-177.7	0	0	0	0	0	113.3	L256 A259 I348 L352	L256-A261 PolarHBondContact O-N 2.88Å; A259-A261 PolarHBondContact O-N 2.89Å; A261-I348 HydrophobicContact CB-CG2 3.53Å; A261-L352 HydrophobicContact CB-CD1 3.86Å
262	V	98.5	Very high	98.6	Very high	17 Å²	17	26 Å²	26	10%	0.103	14%	0.141	C	C	.	.	S	Bend	trans	-137.2	160.4	175.9	-60.6	0	0	0	0	109.8	L229 L256 V257	L229-V262 HydrophobicContact CD2-CB 3.93Å; L229-V262 HydrophobicContact CD2-CG1 3.78Å; L256-V262 HydrophobicContact CB-CG1 4.1Å; L256-V262 HydrophobicContact CB-CG2 3.68Å; L256-V262 HydrophobicContact CD2-CG1 3.95Å; V257-V262 HydrophobicContact CG2-CG2 3.82Å
263	P	98.3	Very high	98.6	Very high	78 Å²	78	25.4 Å²	25.4	51%	0.506	14%	0.139	S	C	.	.			trans	-55	139.8	177.4	-25.8	35.8	0	0	0	112.5	L229	L229-P263 HydrophobicContact CD1-CG 4.21Å
264	S	98.8	Very high	98.6	Very high	28 Å²	28	24.5 Å²	24.5	20%	0.196	13%	0.134	C	C	.	.			trans	-84.5	128.1	-176.7	-178	0	0	0	0	111.4	F266	S264-F266 PolarHBondContact O-N 3.49Å; S264-F266 WeakPolarHBondContact OG-CD2 3.3Å; S264-F266 PolarHBondContact OG-N 2.73Å
265	P	98.8	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-66.9	-20.1	173.6	27	-33.4	0	0	0	112.9	Y232 A248 M250 E267 H268 A269 V272	Y232-P265 HydrophobicContact CD1-CB 4.22Å; Y232-P265 HydrophobicContact CD2-CB 4.24Å; Y232-P265 HydrophobicContact CE1-CB 3.9Å; Y232-P265 HydrophobicContact CE2-CB 3.92Å; Y232-P265 HydrophobicContact CG-CB 4.39Å; A248-P265 HydrophobicContact CB-CB 3.46Å; A248-P265 VanDerWaalsContact CB-CB 3.46Å; A248-P265 HydrophobicContact CB-CG 4.25Å; M250-P265 HydrophobicContact CB-CG 4.28Å; M250-P265 HydrophobicContact SD-CG 4.13Å; P265-E267 PolarHBondContact O-N 3.31Å; P265-H268 PolarHBondContact O-N 2.84Å; P265-H268 VanDerWaalsContact O-N 3.11Å; P265-A269 WeakPolarHBondContact O-CB 3.41Å; P265-A269 PolarHBondContact O-N 3.19Å; P265-V272 HydrophobicContact CG-CG1 4.29Å
266	F	98.8	Very high	98.6	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.039	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-65.4	-18.4	-177.1	-67.5	-84.4	0	0	0	113.4	F125 L127 W132 M250 V257 S264 H268 V272 F289	F125-F266 HydrophobicContact CB-CD2 4.32Å; F125-F266 HydrophobicContact CB-CE2 3.8Å; F125-F266 HydrophobicContact CB-CZ 4.11Å; F125-F266 AromaticContact CD1-CE2 3.67Å; F125-F266 HydrophobicContact CD1-CE2 3.67Å; F125-F266 HydrophobicContact CD1-CZ 4.32Å; F125-F266 HydrophobicContact CD2-CE2 4.45Å; F125-F266 HydrophobicContact CD2-CZ 4.33Å; F125-F266 HydrophobicContact CE1-CE2 4.37Å; F125-F266 AromaticContact CG-CE2 3.72Å; F125-F266 HydrophobicContact CG-CE2 3.72Å; F125-F266 HydrophobicContact CG-CZ 4Å; L127-F266 HydrophobicContact CD1-CD1 3.65Å; L127-F266 HydrophobicContact CD1-CE1 3.43Å; L127-F266 VanDerWaalsContact CD1-CE1 3.43Å; L127-F266 HydrophobicContact CD1-CG 4.32Å; L127-F266 HydrophobicContact CD1-CZ 3.93Å; L127-F266 HydrophobicContact CD2-CB 3.71Å; L127-F266 HydrophobicContact CD2-CD1 3.62Å; L127-F266 HydrophobicContact CD2-CD2 4.17Å; L127-F266 HydrophobicContact CD2-CE1 4.23Å; L127-F266 HydrophobicContact CD2-CG 3.58Å; L127-F266 HydrophobicContact CG-CD1 4.29Å; L127-F266 HydrophobicContact CG-CE1 4.44Å; W132-F266 HydrophobicContact CD2-CD1 4.07Å; W132-F266 AromaticContact CE2-CD1 3.85Å; W132-F266 HydrophobicContact CE3-CD1 4.07Å; W132-F266 HydrophobicContact CE3-CE1 4.32Å; W132-F266 AromaticContact CH2-CD1 3.71Å; W132-F266 HydrophobicContact CH2-CD1 3.71Å; W132-F266 HydrophobicContact CH2-CE1 4.42Å; W132-F266 HydrophobicContact CZ2-CB 3.98Å; W132-F266 AromaticContact CZ2-CD1 3.67Å; W132-F266 HydrophobicContact CZ2-CD1 3.67Å; W132-F266 HydrophobicContact CZ2-CG 4.33Å; W132-F266 VanDerWaalsContact CZ2-O 3.29Å; W132-F266 WeakPolarHBondContact CZ2-O 3.12Å; W132-F266 AromaticContact CZ3-CD1 3.91Å; W132-F266 HydrophobicContact CZ3-CD1 3.91Å; W132-F266 HydrophobicContact CZ3-CE1 4.22Å; M250-F266 HydrophobicContact CE-CE2 3.71Å; M250-F266 HydrophobicContact CE-CZ 3.65Å; M250-F266 HydrophobicContact SD-CE2 3.8Å; M250-F266 HydrophobicContact SD-CZ 4.25Å; V257-F266 HydrophobicContact CG1-CD2 4.38Å; V257-F266 HydrophobicContact CG1-CE2 4.38Å; S264-F266 PolarHBondContact O-N 3.49Å; S264-F266 WeakPolarHBondContact OG-CD2 3.3Å; S264-F266 PolarHBondContact OG-N 2.73Å; F266-H268 PolarHBondContact O-N 3.28Å; F266-V272 HydrophobicContact CD1-CB 4.29Å; F266-V272 HydrophobicContact CD1-CG2 3.66Å; F266-V272 HydrophobicContact CE1-CB 3.73Å; F266-V272 HydrophobicContact CE1-CG1 4.11Å; F266-V272 HydrophobicContact CE1-CG2 3.63Å; F266-V272 HydrophobicContact CE2-CG1 4.26Å; F266-V272 HydrophobicContact CG-CG2 4.2Å; F266-V272 HydrophobicContact CZ-CB 3.98Å; F266-V272 HydrophobicContact CZ-CG1 3.83Å; F266-V272 HydrophobicContact CZ-CG2 4.15Å; F266-F289 HydrophobicContact CE1-CB 3.63Å; F266-F289 AromaticContact CE1-CD1 3.9Å; F266-F289 HydrophobicContact CE1-CD1 3.9Å; F266-F289 AromaticContact CE1-CD2 3.99Å; F266-F289 HydrophobicContact CE1-CD2 3.99Å; F266-F289 AromaticContact CE1-CG 3.58Å; F266-F289 HydrophobicContact CE1-CG 3.58Å; F266-F289 HydrophobicContact CZ-CB 4.34Å; F266-F289 HydrophobicContact CZ-CD1 4.16Å; F266-F289 AromaticContact CZ-CD2 3.82Å; F266-F289 HydrophobicContact CZ-CD2 3.82Å; F266-F289 HydrophobicContact CZ-CE1 4.41Å; F266-F289 HydrophobicContact CZ-CE2 4.11Å; F266-F289 AromaticContact CZ-CG 3.86Å; F266-F289 HydrophobicContact CZ-CG 3.86Å; F266-F289 HydrophobicContact CZ-CZ 4.4Å
267	E	97.1	Very high	98.6	Very high	137 Å²	137	26 Å²	26	64%	0.64	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-66	-29.5	174.3	-66.4	-178.9	-165.6	0	0	112	P265	P265-E267 PolarHBondContact O-N 3.31Å
268	H	98.3	Very high	98.6	Very high	53 Å²	53	26.7 Å²	26.7	25%	0.245	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-35.1	-167.9	-60.4	-59.6	0	0	0	114.1	K236 L246 P265 F266	K236-H268 HydrophobicContact CB-CB 3.96Å; K236-H268 WeakPolarHBondContact CD-O 3.44Å; K236-H268 WeakPolarHBondContact CE-O 3.3Å; K236-H268 HydrophobicContact CG-CB 4.28Å; K236-H268 WeakPolarHBondContact CG-O 3.44Å; L246-H268 HydrophobicContact CD2-CB 4.28Å; P265-H268 PolarHBondContact O-N 2.84Å; P265-H268 VanDerWaalsContact O-N 3.11Å; F266-H268 PolarHBondContact O-N 3.28Å
269	A	98.6	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.			trans	-71.4	150.5	-172.6	0	0	0	0	0	113.1	W132 L246 A248 P265 L271 V272 R291	W132-A269 WeakPolarHBondContact CH2-O 3.28Å; L246-A269 HydrophobicContact CD2-CB 4.39Å; L246-A269 HydrophobicContact CG-CB 4.17Å; A248-A269 HydrophobicContact CB-CB 3.88Å; P265-A269 WeakPolarHBondContact O-CB 3.41Å; P265-A269 PolarHBondContact O-N 3.19Å; A269-L271 WeakPolarHBondContact CB-O 3.49Å; A269-V272 HydrophobicContact CB-CG2 3.82Å; A269-R291 PolarHBondContact O-NH1 2.82Å; A269-R291 VanDerWaalsContact O-NH1 3.16Å
270	D	98.8	Very high	98.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-84.2	-37.2	170.5	-57.3	-68.2	0	0	0	110.4	K236 Y245 L246 R291 Y306 L308	K236-D270 IonicContact NZ-OD1 2.75Å; K236-D270 PolarHBondContact NZ-OD1 3.05Å; K236-D270 IonicContact NZ-OD2 3.35Å; K236-D270 PolarHBondContact NZ-OD2 3.32Å; Y245-D270 HydrophobicContact CD1-CB 3.99Å; L246-D270 PolarHBondContact N-OD2 3.42Å; L246-D270 PolarHBondContact O-N 3.14Å; D270-R291 WeakPolarHBondContact O-CG 3.45Å; D270-R291 PolarHBondContact O-N 3.15Å; D270-Y306 HydrophobicContact CB-CE1 4.33Å; D270-Y306 PolarHBondContact OD1-OH 3.26Å; D270-L308 HydrophobicContact CB-CD1 4.46Å; D270-L308 WeakPolarHBondContact O-CD1 3.48Å
271	L	98.9	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.5	-179.9	-70.8	148.2	0	0	0	108.9	V148 V152 L246 L247 A248 A269 I288 F289 L308 V312	V148-L271 HydrophobicContact CG1-CD1 3.81Å; V148-L271 HydrophobicContact CG2-CD2 4.42Å; V152-L271 HydrophobicContact CG1-CD1 4.07Å; V152-L271 HydrophobicContact CG2-CD1 4.45Å; L246-L271 PolarHBondContact O-N 2.98Å; L247-L271 WeakPolarHBondContact CA-O 3.17Å; L247-L271 HydrophobicContact CD1-CB 3.75Å; A248-L271 PolarHBondContact N-O 2.62Å; A269-L271 WeakPolarHBondContact CB-O 3.49Å; L271-I288 HydrophobicContact CD2-CG2 4.41Å; L271-F289 WeakPolarHBondContact CA-O 3.36Å; L271-L308 HydrophobicContact CD1-CD2 4.26Å; L271-L308 HydrophobicContact CD2-CD1 4.23Å; L271-L308 HydrophobicContact CG-CD1 4.09Å; L271-V312 HydrophobicContact CD2-CG2 3.78Å
272	V	99	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.2	172.6	-174.1	0	0	0	0	109.2	W132 A248 M250 P265 F266 A269 F289	W132-V272 HydrophobicContact CH2-CG2 3.94Å; W132-V272 HydrophobicContact CZ3-CG2 4.22Å; A248-V272 HydrophobicContact CB-CG1 4.4Å; A248-V272 HydrophobicContact CB-CG2 4.27Å; A248-V272 CarbonylContact O-C 3.56Å; A248-V272 VanDerWaalsContact O-CA 3.25Å; A248-V272 WeakPolarHBondContact O-CA 3.22Å; A248-V272 WeakPolarHBondContact O-CG1 3.43Å; M250-V272 HydrophobicContact CB-CG1 4.4Å; M250-V272 HydrophobicContact CE-CG1 3.83Å; M250-V272 HydrophobicContact CG-CG1 3.7Å; M250-V272 HydrophobicContact SD-CG1 3.73Å; P265-V272 HydrophobicContact CG-CG1 4.29Å; F266-V272 HydrophobicContact CD1-CB 4.29Å; F266-V272 HydrophobicContact CD1-CG2 3.66Å; F266-V272 HydrophobicContact CE1-CB 3.73Å; F266-V272 HydrophobicContact CE1-CG1 4.11Å; F266-V272 HydrophobicContact CE1-CG2 3.63Å; F266-V272 HydrophobicContact CE2-CG1 4.26Å; F266-V272 HydrophobicContact CG-CG2 4.2Å; F266-V272 HydrophobicContact CZ-CB 3.98Å; F266-V272 HydrophobicContact CZ-CG1 3.83Å; F266-V272 HydrophobicContact CZ-CG2 4.15Å; A269-V272 HydrophobicContact CB-CG2 3.82Å; V272-F289 HydrophobicContact CB-CB 4.17Å; V272-F289 HydrophobicContact CB-CD2 4.43Å; V272-F289 PolarHBondContact N-O 2.94Å; V272-F289 PolarHBondContact O-N 3.44Å
273	T	99	Very high	98.5	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	150	171.3	49.1	0	0	0	0	110.3	A144 N145 V148 L247 A248 M250 L287 I288	A144-T273 HydrophobicContact CB-CG2 4.37Å; N145-T273 VanDerWaalsContact OD1-CB 3.28Å; N145-T273 WeakPolarHBondContact OD1-CB 2.81Å; N145-T273 WeakPolarHBondContact OD1-CG2 3.28Å; N145-T273 PolarHBondContact OD1-OG1 2.87Å; V148-T273 HydrophobicContact CB-CG2 4.49Å; V148-T273 HydrophobicContact CG2-CG2 3.64Å; L247-T273 HydrophobicContact CD1-CG2 3.84Å; A248-T273 PolarHBondContact O-N 3.29Å; M250-T273 PolarHBondContact N-O 3.33Å; T273-L287 WeakPolarHBondContact CA-O 3.25Å; T273-I288 HydrophobicContact CG2-CG1 4.12Å; T273-I288 HydrophobicContact CG2-CG2 4.43Å
274	S	98.9	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.8	173.5	-171.9	0	0	0	0	111.3	S254 G286 L287	S254-S274 WeakPolarHBondContact CB-OG 3.25Å; S254-S274 PolarHBondContact OG-OG 2.8Å; S274-G286 CarbonylContact O-C 3.59Å; S274-G286 VanDerWaalsContact O-CA 3.31Å; S274-G286 WeakPolarHBondContact O-CA 3.08Å; S274-L287 PolarHBondContact N-O 2.82Å; S274-L287 VanDerWaalsContact N-O 3.09Å; S274-L287 PolarHBondContact O-N 3.41Å
275	T	98.9	Very high	98.5	Very high	4 Å²	4	24 Å²	24	3%	0.025	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	154.1	154.9	52.2	0	0	0	0	111.1	A251 H277 K278	A251-T275 HydrophobicContact CB-CG2 4.12Å; A251-T275 WeakPolarHBondContact CB-OG1 3.43Å; A251-T275 PolarHBondContact O-OG1 3.11Å; T275-H277 WeakPolarHBondContact CB-CE1 3.49Å; T275-H277 WeakPolarHBondContact CG2-CE1 3.43Å; T275-K278 VanDerWaalsContact CG2-NZ 3.27Å; T275-K278 PolarHBondContact OG1-NZ 3.21Å
276	T	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-92.7	-15.2	174.5	53.5	0	0	0	0	113.4	G282 S283 A285 L287 V332	T276-G282 VanDerWaalsContact O-CA 3.23Å; T276-G282 WeakPolarHBondContact O-CA 3.46Å; T276-G282 PolarHBondContact O-N 2.72Å; T276-S283 PolarHBondContact OG1-O 2.91Å; T276-A285 HydrophobicContact CG2-CB 4.22Å; T276-A285 PolarHBondContact N-O 2.88Å; T276-A285 VanDerWaalsContact N-O 3.07Å; T276-A285 WeakPolarHBondContact OG1-CA 3.4Å; T276-A285 WeakPolarHBondContact OG1-CB 3.31Å; T276-A285 PolarHBondContact OG1-N 2.69Å; T276-A285 PolarHBondContact OG1-O 3Å; T276-A285 VanDerWaalsContact OG1-O 3.13Å; T276-L287 HydrophobicContact CG2-CD1 3.89Å; T276-L287 HydrophobicContact CG2-CD2 4.13Å; T276-L287 HydrophobicContact CG2-CG 3.61Å; T276-V332 HydrophobicContact CG2-CB 4.37Å; T276-V332 HydrophobicContact CG2-CG1 3.67Å; T276-V332 HydrophobicContact CG2-CG2 3.69Å
277	H	98.6	Very high	98.5	Very high	26 Å²	26	23.7 Å²	23.7	12%	0.12	10%	0.104	C	C	.	.	S	Bend	trans	-86.3	-166.7	166.8	57.9	-85.7	0	0	0	110.4	T275 S283 R284	T275-H277 WeakPolarHBondContact CB-CE1 3.49Å; T275-H277 WeakPolarHBondContact CG2-CE1 3.43Å; H277-S283 PolarHBondContact N-O 2.86Å; H277-R284 HydrophobicContact CB-CG 4.47Å
278	K	98.8	Very high	98.6	Very high	24 Å²	24	17.1 Å²	17.1	10%	0.104	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	69.2	-130.5	-171.7	-42.7	-167.5	175.5	59.7	0	111.9	S74 N76 A251 T275 L280 R281	S74-K278 WeakPolarHBondContact O-CG 3.4Å; N76-K278 VanDerWaalsContact CB-O 3.28Å; N76-K278 WeakPolarHBondContact CB-O 2.84Å; N76-K278 PolarHBondContact ND2-O 2.99Å; A251-K278 WeakPolarHBondContact O-CD 3.28Å; T275-K278 VanDerWaalsContact CG2-NZ 3.27Å; T275-K278 PolarHBondContact OG1-NZ 3.21Å; K278-L280 VanDerWaalsContact C-N 3.27Å; K278-L280 PolarHBondContact O-N 3.47Å; K278-R281 PolarHBondContact O-N 2.94Å
279	S	98.8	Very high	98.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-66.5	-24.3	-176.5	56	0	0	0	0	113.7	H252 S254 G255 R281	H252-S279 WeakPolarHBondContact O-CB 3.46Å; H252-S279 PolarHBondContact O-OG 3.2Å; S254-S279 PolarHBondContact N-OG 3.14Å; G255-S279 PolarHBondContact N-OG 2.78Å; S279-R281 VanDerWaalsContact C-N 3.25Å; S279-R281 PolarHBondContact O-N 2.92Å
280	L	98.8	Very high	98.6	Very high	3 Å²	3	15 Å²	15	2%	0.016	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-74.4	-14.8	173.3	-163.2	68.9	0	0	0	113.3	F125 A258 K278 G282 L336 A339	F125-L280 HydrophobicContact CZ-CD1 4.36Å; A258-L280 HydrophobicContact CB-CD1 4.2Å; K278-L280 VanDerWaalsContact C-N 3.27Å; K278-L280 PolarHBondContact O-N 3.47Å; L280-G282 PolarHBondContact O-N 2.98Å; L280-L336 HydrophobicContact CD2-CD2 4.13Å; L280-A339 HydrophobicContact CD1-CB 3.95Å
281	R	98.6	Very high	98.6	Very high	41 Å²	41	17.8 Å²	17.8	16%	0.155	7%	0.074	C	C	.	.			trans	59.6	25.1	171.3	-155.8	173.1	72.7	-179.6	4.5	115.6	N76 F77 K278 S279 S430	N76-R281 HydrophobicContact CB-CG 4.27Å; F77-R281 WeakPolarHBondContact O-CD 3.29Å; F77-R281 WeakPolarHBondContact O-CG 3.42Å; K278-R281 PolarHBondContact O-N 2.94Å; S279-R281 VanDerWaalsContact C-N 3.25Å; S279-R281 PolarHBondContact O-N 2.92Å; R281-S430 WeakPolarHBondContact CD-OG 3.45Å; R281-S430 PolarHBondContact NH1-OG 2.93Å
282	G	98.3	Very high	98.6	Very high	6 Å²	6	20.7 Å²	20.7	6%	0.062	9%	0.087	C	C	.	.			trans	-93.8	-175.5	173.8	0	0	0	0	0	114.4	T276 L280 A335	T276-G282 VanDerWaalsContact O-CA 3.23Å; T276-G282 WeakPolarHBondContact O-CA 3.46Å; T276-G282 PolarHBondContact O-N 2.72Å; L280-G282 PolarHBondContact O-N 2.98Å; G282-A335 VanDerWaalsContact CA-CB 3.42Å
283	S	95.3	Very high	98.3	Very high	8 Å²	8	22 Å²	22	6%	0.056	10%	0.101	C	C	.	.			trans	-64.1	165.1	171.9	56.8	0	0	0	0	111.7	Q86 T276 H277 A285 A328	Q86-S283 VanDerWaalsContact OE1-CB 3.3Å; T276-S283 PolarHBondContact OG1-O 2.91Å; H277-S283 PolarHBondContact N-O 2.86Å; S283-A285 PolarHBondContact O-N 3.21Å; S283-A285 VanDerWaalsContact O-N 3.16Å; S283-A328 PolarHBondContact OG-O 3.09Å
284	R	98.8	Very high	97.9	Very high	185 Å²	185	24.8 Å²	24.8	70%	0.698	12%	0.118	S	C	*	.	S	Bend	trans	-74.8	105.6	-180	-68.9	179.6	-179.2	-96.5	1.9	110.6	H277	H277-R284 HydrophobicContact CB-CG 4.47Å
285	A	98.8	Very high	97.5	Very high	6 Å²	6	28 Å²	28	5%	0.05	13%	0.13	C	C	.	.			trans	-154	-178	169.6	0	0	0	0	0	110.3	Y139 T276 S283 V332	Y139-A285 WeakPolarHBondContact O-CA 3.36Å; T276-A285 HydrophobicContact CG2-CB 4.22Å; T276-A285 PolarHBondContact N-O 2.88Å; T276-A285 VanDerWaalsContact N-O 3.07Å; T276-A285 WeakPolarHBondContact OG1-CA 3.4Å; T276-A285 WeakPolarHBondContact OG1-CB 3.31Å; T276-A285 PolarHBondContact OG1-N 2.69Å; T276-A285 PolarHBondContact OG1-O 3Å; T276-A285 VanDerWaalsContact OG1-O 3.13Å; S283-A285 PolarHBondContact O-N 3.21Å; S283-A285 VanDerWaalsContact O-N 3.16Å; A285-V332 HydrophobicContact CB-CG2 3.76Å
286	G	98.9	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.3	171.9	0	0	0	0	0	112.5	P138 S274	P138-G286 WeakPolarHBondContact CD-O 3.19Å; P138-G286 PolarHBondContact O-N 3.45Å; S274-G286 CarbonylContact O-C 3.59Å; S274-G286 VanDerWaalsContact O-CA 3.31Å; S274-G286 WeakPolarHBondContact O-CA 3.08Å
287	L	98.9	Very high	96.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.7	173.6	-62	177.3	0	0	0	109.3	V136 T273 S274 T276 F289 V332	V136-L287 HydrophobicContact CB-CD2 3.95Å; V136-L287 HydrophobicContact CG1-CD2 3.78Å; T273-L287 WeakPolarHBondContact CA-O 3.25Å; S274-L287 PolarHBondContact N-O 2.82Å; S274-L287 VanDerWaalsContact N-O 3.09Å; S274-L287 PolarHBondContact O-N 3.41Å; T276-L287 HydrophobicContact CG2-CD1 3.89Å; T276-L287 HydrophobicContact CG2-CD2 4.13Å; T276-L287 HydrophobicContact CG2-CG 3.61Å; L287-F289 HydrophobicContact CB-CD2 4.36Å; L287-F289 HydrophobicContact CB-CE2 3.78Å; L287-F289 HydrophobicContact CB-CZ 4.45Å; L287-F289 HydrophobicContact CD1-CE2 3.9Å; L287-F289 HydrophobicContact CD1-CZ 3.92Å; L287-F289 HydrophobicContact CG-CE2 4.49Å; L287-V332 HydrophobicContact CD2-CG1 4.39Å
288	I	99	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.4	168.5	-55.2	160.7	0	0	0	108.2	V134 N135 P138 A144 A147 V148 L271 T273 V312 V316	V134-I288 CarbonylContact C-O 3.58Å; V134-I288 WeakPolarHBondContact CA-O 3.45Å; N135-I288 HydrophobicContact CB-CB 4.39Å; N135-I288 PolarHBondContact N-O 3.08Å; N135-I288 PolarHBondContact O-N 3.06Å; P138-I288 HydrophobicContact CG-CD1 3.63Å; P138-I288 HydrophobicContact CG-CG1 3.83Å; A144-I288 HydrophobicContact CB-CD1 4.34Å; A144-I288 HydrophobicContact CB-CG1 3.86Å; A147-I288 HydrophobicContact CB-CD1 3.96Å; V148-I288 HydrophobicContact CG2-CB 4.44Å; V148-I288 HydrophobicContact CG2-CD1 4.2Å; V148-I288 HydrophobicContact CG2-CG1 4.11Å; V148-I288 HydrophobicContact CG2-CG2 3.45Å; V148-I288 VanDerWaalsContact CG2-CG2 3.45Å; L271-I288 HydrophobicContact CD2-CG2 4.41Å; T273-I288 HydrophobicContact CG2-CG1 4.12Å; T273-I288 HydrophobicContact CG2-CG2 4.43Å; I288-V312 HydrophobicContact CB-CG1 4.03Å; I288-V312 HydrophobicContact CD1-CG1 4Å; I288-V312 HydrophobicContact CG2-CG1 3.59Å; I288-V312 HydrophobicContact CG2-CG2 4.3Å; I288-V316 HydrophobicContact CD1-CG2 3.69Å
289	F	98.9	Very high	95.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145.1	168.8	-57.4	-98.9	0	0	0	109.8	A121 L122 F125 L127 W132 G133 V134 M250 F266 L271 V272 L287	A121-F289 HydrophobicContact CB-CE1 3.98Å; A121-F289 HydrophobicContact CB-CZ 4.01Å; L122-F289 HydrophobicContact CD2-CD1 4.16Å; L122-F289 HydrophobicContact CD2-CE1 4.33Å; F125-F289 AromaticContact CD2-CE1 3.99Å; F125-F289 HydrophobicContact CD2-CE1 3.99Å; F125-F289 HydrophobicContact CD2-CE2 4.23Å; F125-F289 AromaticContact CD2-CZ 3.5Å; F125-F289 HydrophobicContact CD2-CZ 3.5Å; F125-F289 VanDerWaalsContact CD2-CZ 3.5Å; F125-F289 HydrophobicContact CE2-CE2 4.11Å; F125-F289 AromaticContact CE2-CZ 3.64Å; F125-F289 HydrophobicContact CE2-CZ 3.64Å; L127-F289 HydrophobicContact CD1-CD1 3.67Å; L127-F289 HydrophobicContact CD1-CE1 3.95Å; W132-F289 HydrophobicContact CE3-CB 3.92Å; W132-F289 HydrophobicContact CZ3-CB 3.97Å; G133-F289 WeakPolarHBondContact O-CA 3.39Å; V134-F289 HydrophobicContact CB-CD1 3.68Å; V134-F289 HydrophobicContact CB-CE1 3.89Å; V134-F289 HydrophobicContact CB-CG 4.34Å; V134-F289 HydrophobicContact CG2-CD1 3.61Å; V134-F289 HydrophobicContact CG2-CD2 4.33Å; V134-F289 HydrophobicContact CG2-CE1 3.56Å; V134-F289 HydrophobicContact CG2-CE2 4.27Å; V134-F289 HydrophobicContact CG2-CG 4.01Å; V134-F289 HydrophobicContact CG2-CZ 3.9Å; M250-F289 HydrophobicContact CE-CD2 4.43Å; M250-F289 HydrophobicContact CE-CE2 4.01Å; F266-F289 HydrophobicContact CE1-CB 3.63Å; F266-F289 AromaticContact CE1-CD1 3.9Å; F266-F289 HydrophobicContact CE1-CD1 3.9Å; F266-F289 AromaticContact CE1-CD2 3.99Å; F266-F289 HydrophobicContact CE1-CD2 3.99Å; F266-F289 AromaticContact CE1-CG 3.58Å; F266-F289 HydrophobicContact CE1-CG 3.58Å; F266-F289 HydrophobicContact CZ-CB 4.34Å; F266-F289 HydrophobicContact CZ-CD1 4.16Å; F266-F289 AromaticContact CZ-CD2 3.82Å; F266-F289 HydrophobicContact CZ-CD2 3.82Å; F266-F289 HydrophobicContact CZ-CE1 4.41Å; F266-F289 HydrophobicContact CZ-CE2 4.11Å; F266-F289 AromaticContact CZ-CG 3.86Å; F266-F289 HydrophobicContact CZ-CG 3.86Å; F266-F289 HydrophobicContact CZ-CZ 4.4Å; L271-F289 WeakPolarHBondContact CA-O 3.36Å; V272-F289 HydrophobicContact CB-CB 4.17Å; V272-F289 HydrophobicContact CB-CD2 4.43Å; V272-F289 PolarHBondContact N-O 2.94Å; V272-F289 PolarHBondContact O-N 3.44Å; L287-F289 HydrophobicContact CB-CD2 4.36Å; L287-F289 HydrophobicContact CB-CE2 3.78Å; L287-F289 HydrophobicContact CB-CZ 4.45Å; L287-F289 HydrophobicContact CD1-CE2 3.9Å; L287-F289 HydrophobicContact CD1-CZ 3.92Å; L287-F289 HydrophobicContact CG-CE2 4.49Å
290	Y	98.9	Very high	95	Very high	8 Å²	8	56.3 Å²	56.3	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.8	-178.9	45.5	-96.4	0	0	0	111.5	W132 G133 N135 K292 L308 E309 V312 N313	W132-Y290 WeakPolarHBondContact CA-O 3.44Å; W132-Y290 VanDerWaalsContact CE3-O 3.3Å; G133-Y290 VanDerWaalsContact CA-CE2 3.45Å; G133-Y290 PolarHBondContact N-O 2.97Å; G133-Y290 PolarHBondContact O-N 2.79Å; N135-Y290 HydrophobicContact CB-CE1 4.29Å; Y290-K292 HydrophobicContact CD2-CG 4.31Å; Y290-K292 HydrophobicContact CE2-CD 4.44Å; Y290-K292 HydrophobicContact CE2-CG 4.42Å; Y290-L308 HydrophobicContact CG-CB 4.47Å; Y290-E309 HydrophobicContact CD2-CB 3.92Å; Y290-E309 VanDerWaalsContact CE2-CA 3.44Å; Y290-E309 HydrophobicContact CE2-CB 3.43Å; Y290-E309 VanDerWaalsContact CE2-CB 3.43Å; Y290-E309 HydrophobicContact CE2-CG 3.56Å; Y290-V312 HydrophobicContact CD1-CB 3.99Å; Y290-V312 HydrophobicContact CD1-CG1 3.84Å; Y290-V312 HydrophobicContact CD1-CG2 4.21Å; Y290-V312 HydrophobicContact CE1-CB 4.31Å; Y290-V312 HydrophobicContact CE1-CG1 4.04Å; Y290-N313 PolarHBondContact OH-ND2 3.5Å
291	R	98.4	Very high	94.6	Very high	59 Å²	59	58.7 Å²	58.7	22%	0.223	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	144.3	174.7	-73.5	-78.3	-90.7	-92.5	8.8	112	K131 W132 A269 D270 Y306 L308	K131-R291 CarbonylContact O-C 3.56Å; K131-R291 WeakPolarHBondContact O-CA 3.2Å; W132-R291 HydrophobicContact CD2-CG 4.47Å; W132-R291 VanDerWaalsContact CE2-CD 3.43Å; W132-R291 HydrophobicContact CE3-CG 4.42Å; W132-R291 HydrophobicContact CH2-CG 3.68Å; W132-R291 HydrophobicContact CZ2-CG 3.74Å; W132-R291 HydrophobicContact CZ3-CG 4.04Å; A269-R291 PolarHBondContact O-NH1 2.82Å; A269-R291 VanDerWaalsContact O-NH1 3.16Å; D270-R291 WeakPolarHBondContact O-CG 3.45Å; D270-R291 PolarHBondContact O-N 3.15Å; R291-Y306 HydrophobicContact CB-CD1 4.04Å; R291-Y306 HydrophobicContact CB-CD2 3.64Å; R291-Y306 HydrophobicContact CB-CE1 3.92Å; R291-Y306 HydrophobicContact CB-CE2 3.5Å; R291-Y306 HydrophobicContact CB-CG 3.91Å; R291-Y306 HydrophobicContact CG-CE2 4.18Å; R291-Y306 WeakPolarHBondContact O-CB 3.43Å; R291-L308 HydrophobicContact CB-CD1 4.28Å
292	K	97.6	Very high	94.4	Very high	61 Å²	61	63.6 Å²	63.6	27%	0.265	31%	0.309	S	S	.	.			trans	-121.4	165.4	170.7	-63.1	178.5	62	153.9	0	109.4	K131 Y290 E309	K131-K292 PolarHBondContact O-N 2.64Å; Y290-K292 HydrophobicContact CD2-CG 4.31Å; Y290-K292 HydrophobicContact CE2-CD 4.44Å; Y290-K292 HydrophobicContact CE2-CG 4.42Å; K292-E309 WeakPolarHBondContact CE-OE2 3.24Å; K292-E309 VanDerWaalsContact NZ-CD 3.32Å; K292-E309 IonicContact NZ-OE1 3.89Å; K292-E309 PolarHBondContact NZ-OE1 3.07Å; K292-E309 IonicContact NZ-OE2 2.81Å; K292-E309 PolarHBondContact NZ-OE2 3Å
293	G	93.6	Very high	94.2	Very high	29 Å²	29	68.9 Å²	68.9	30%	0.299	33%	0.332	S	S	.	.	S	Bend	trans	82	-148.8	179.7	0	0	0	0	0	113.6	M305 Y306	G293-M305 CarbonylContact O-C 3.54Å; G293-M305 WeakPolarHBondContact O-CA 3.31Å; G293-Y306 WeakPolarHBondContact O-CD2 3.26Å; G293-Y306 PolarHBondContact O-N 3.28Å
294	V	91	Very high	94	Very high	59 Å²	59	72.1 Å²	72.1	36%	0.358	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125.1	-174.1	-175.2	0	0	0	0	111.3	V297 E303 M305 Y306	V294-V297 HydrophobicContact CG1-CG2 4.42Å; V294-E303 HydrophobicContact CG1-CB 4.03Å; V294-E303 HydrophobicContact CG1-CG 4.14Å; V294-E303 HydrophobicContact CG2-CB 4.15Å; V294-E303 HydrophobicContact CG2-CG 4.16Å; V294-E303 WeakPolarHBondContact CG2-OE2 3.29Å; V294-M305 HydrophobicContact CB-SD 4.47Å; V294-M305 HydrophobicContact CG2-CE 4.33Å; V294-M305 HydrophobicContact CG2-SD 3.81Å; V294-Y306 WeakPolarHBondContact O-CE2 3.33Å
295	R	89.7	Confident	93.8	Very high	67 Å²	67	68.4 Å²	68.4	25%	0.253	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-48.4	173.8	176.2	178.2	178.2	179.7	3.7	112.3	Y245 I304 Y306	Y245-R295 VanDerWaalsContact CE1-CZ 3.41Å; Y245-R295 VanDerWaalsContact CZ-NH1 3.33Å; Y245-R295 PolarHBondContact OH-NH1 2.89Å; R295-I304 WeakPolarHBondContact CA-O 3.38Å; R295-I304 WeakPolarHBondContact CB-O 3.39Å; R295-I304 PolarHBondContact N-O 2.8Å; R295-Y306 HydrophobicContact CB-CD1 3.84Å; R295-Y306 HydrophobicContact CB-CD2 3.82Å; R295-Y306 HydrophobicContact CB-CE1 3.75Å; R295-Y306 HydrophobicContact CB-CE2 3.73Å; R295-Y306 HydrophobicContact CB-CG 3.87Å; R295-Y306 HydrophobicContact CG-CD1 4Å; R295-Y306 HydrophobicContact CG-CE1 3.54Å; R295-Y306 HydrophobicContact CG-CE2 4.26Å
296	S	87.2	Confident	93.6	Very high	52 Å²	52	69.3 Å²	69.3	36%	0.364	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	165.3	-178.9	57.4	0	0	0	0	110.5	I304	S296-I304 PolarHBondContact N-O 2.85Å; S296-I304 PolarHBondContact O-N 3.45Å
297	V	87.6	Confident	93.5	Very high	88 Å²	88	72.9 Å²	72.9	53%	0.533	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128	171.7	-175.9	0	0	0	0	107	V294 G301 K302 E303	V294-V297 HydrophobicContact CG1-CG2 4.42Å; V297-G301 VanDerWaalsContact CG1-C 3.45Å; V297-K302 WeakPolarHBondContact CA-O 2.96Å; V297-E303 HydrophobicContact CG2-CG 4.36Å
298	D	87.1	Confident	93.5	Very high	57 Å²	57	72.9 Å²	72.9	31%	0.305	36%	0.361	S	S	.	.			trans	-72.9	173.6	178.9	78.5	8.5	0	0	0	111.9	K300 G301 K302 I304	D298-K300 PolarHBondContact O-N 3.11Å; D298-K300 VanDerWaalsContact OD1-CA 3.28Å; D298-K300 WeakPolarHBondContact OD1-CA 3.5Å; D298-K300 WeakPolarHBondContact OD1-CB 3.41Å; D298-K300 PolarHBondContact OD1-N 3.27Å; D298-G301 PolarHBondContact O-N 2.8Å; D298-G301 PolarHBondContact OD1-N 3.43Å; D298-G301 VanDerWaalsContact OD1-N 3.09Å; D298-K302 PolarHBondContact N-O 3.21Å; D298-K302 WeakPolarHBondContact OD1-CB 3.44Å; D298-K302 PolarHBondContact OD1-N 2.78Å; D298-I304 HydrophobicContact CB-CD1 4.14Å
299	R	88.9	Confident	93.5	Very high	260 Å²	260	76.1 Å²	76.1	98%	0.981	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.5	179.9	-66.3	-176.4	-179.1	175.1	-0.1	113.8
300	K	90.8	Very high	93.5	Very high	192 Å²	192	82.1 Å²	82.1	84%	0.835	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	4.8	179.7	-60	-178.4	178.3	-178.3	0	112.1	D298 K302	D298-K300 PolarHBondContact O-N 3.11Å; D298-K300 VanDerWaalsContact OD1-CA 3.28Å; D298-K300 WeakPolarHBondContact OD1-CA 3.5Å; D298-K300 WeakPolarHBondContact OD1-CB 3.41Å; D298-K300 PolarHBondContact OD1-N 3.27Å; K300-K302 VanDerWaalsContact C-N 3.32Å
301	G	90.9	Very high	93.4	Very high	53 Å²	53	85.4 Å²	85.4	55%	0.546	42%	0.423	S	S	.	.	S	Bend	trans	81.5	7.7	-178.7	0	0	0	0	0	114	V297 D298	V297-G301 VanDerWaalsContact CG1-C 3.45Å; D298-G301 PolarHBondContact O-N 2.8Å; D298-G301 PolarHBondContact OD1-N 3.43Å; D298-G301 VanDerWaalsContact OD1-N 3.09Å
302	K	93.3	Very high	93.5	Very high	144 Å²	144	82.6 Å²	82.6	63%	0.626	41%	0.413	S	S	*	.			trans	-81.2	127	178.1	-177	-178.1	175.5	-179.1	0	110.1	V297 D298 K300	V297-K302 WeakPolarHBondContact CA-O 2.96Å; D298-K302 PolarHBondContact N-O 3.21Å; D298-K302 WeakPolarHBondContact OD1-CB 3.44Å; D298-K302 PolarHBondContact OD1-N 2.78Å; K300-K302 VanDerWaalsContact C-N 3.32Å
303	E	93.7	Very high	93.5	Very high	117 Å²	117	81 Å²	81	55%	0.547	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	130.8	172.1	-63.3	-175.2	159.1	0	0	110.9	V294 V297	V294-E303 HydrophobicContact CG1-CB 4.03Å; V294-E303 HydrophobicContact CG1-CG 4.14Å; V294-E303 HydrophobicContact CG2-CB 4.15Å; V294-E303 HydrophobicContact CG2-CG 4.16Å; V294-E303 WeakPolarHBondContact CG2-OE2 3.29Å; V297-E303 HydrophobicContact CG2-CG 4.36Å
304	I	91.4	Very high	93.8	Very high	76 Å²	76	85.7 Å²	85.7	39%	0.39	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.2	171.6	-61.1	170.3	0	0	0	106.3	R295 S296 D298	R295-I304 WeakPolarHBondContact CA-O 3.38Å; R295-I304 WeakPolarHBondContact CB-O 3.39Å; R295-I304 PolarHBondContact N-O 2.8Å; S296-I304 PolarHBondContact N-O 2.85Å; S296-I304 PolarHBondContact O-N 3.45Å; D298-I304 HydrophobicContact CB-CD1 4.14Å
305	M	94.6	Very high	94.2	Very high	107 Å²	107	83 Å²	83	53%	0.527	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	153.2	-179.3	-52.9	-56	-79.8	0	0	111.4	G293 V294	G293-M305 CarbonylContact O-C 3.54Å; G293-M305 WeakPolarHBondContact O-CA 3.31Å; V294-M305 HydrophobicContact CB-SD 4.47Å; V294-M305 HydrophobicContact CG2-CE 4.33Å; V294-M305 HydrophobicContact CG2-SD 3.81Å
306	Y	96.3	Very high	94.6	Very high	25 Å²	25	79.9 Å²	79.9	10%	0.098	39%	0.392	C	S	.	.			trans	-66.1	142.5	161.4	-75.3	-74.4	0	0	0	110.2	D270 R291 G293 V294 R295 L308	D270-Y306 HydrophobicContact CB-CE1 4.33Å; D270-Y306 PolarHBondContact OD1-OH 3.26Å; R291-Y306 HydrophobicContact CB-CD1 4.04Å; R291-Y306 HydrophobicContact CB-CD2 3.64Å; R291-Y306 HydrophobicContact CB-CE1 3.92Å; R291-Y306 HydrophobicContact CB-CE2 3.5Å; R291-Y306 HydrophobicContact CB-CG 3.91Å; R291-Y306 HydrophobicContact CG-CE2 4.18Å; R291-Y306 WeakPolarHBondContact O-CB 3.43Å; G293-Y306 WeakPolarHBondContact O-CD2 3.26Å; G293-Y306 PolarHBondContact O-N 3.28Å; V294-Y306 WeakPolarHBondContact O-CE2 3.33Å; R295-Y306 HydrophobicContact CB-CD1 3.84Å; R295-Y306 HydrophobicContact CB-CD2 3.82Å; R295-Y306 HydrophobicContact CB-CE1 3.75Å; R295-Y306 HydrophobicContact CB-CE2 3.73Å; R295-Y306 HydrophobicContact CB-CG 3.87Å; R295-Y306 HydrophobicContact CG-CD1 4Å; R295-Y306 HydrophobicContact CG-CE1 3.54Å; R295-Y306 HydrophobicContact CG-CE2 4.26Å; Y306-L308 HydrophobicContact CD1-CD1 3.56Å; Y306-L308 HydrophobicContact CD1-CG 3.93Å; Y306-L308 HydrophobicContact CE1-CD1 4.05Å; Y306-L308 HydrophobicContact CG-CD1 4.33Å
307	D	96.6	Very high	95.1	Very high	75 Å²	75	78.3 Å²	78.3	40%	0.401	38%	0.378	S	S	.	.			trans	-119.1	24.1	173.6	65.2	-7	0	0	0	111.6	K311	D307-K311 WeakPolarHBondContact O-CD 3.43Å; D307-K311 WeakPolarHBondContact O-CG 3.5Å; D307-K311 IonicContact OD1-NZ 2.9Å; D307-K311 PolarHBondContact OD1-NZ 3.29Å; D307-K311 WeakPolarHBondContact OD2-CE 3.4Å; D307-K311 IonicContact OD2-NZ 2.98Å; D307-K311 PolarHBondContact OD2-NZ 3.34Å
308	L	98.6	Very high	95.7	Very high	1 Å²	1	77 Å²	77	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-76.4	-32	-170.2	-63.9	176.7	0	0	0	113.4	V152 Y245 D270 L271 Y290 R291 Y306 K311 V312	V152-L308 HydrophobicContact CG1-CD2 3.71Å; Y245-L308 HydrophobicContact CE1-CD2 4.02Å; D270-L308 HydrophobicContact CB-CD1 4.46Å; D270-L308 WeakPolarHBondContact O-CD1 3.48Å; L271-L308 HydrophobicContact CD1-CD2 4.26Å; L271-L308 HydrophobicContact CD2-CD1 4.23Å; L271-L308 HydrophobicContact CG-CD1 4.09Å; Y290-L308 HydrophobicContact CG-CB 4.47Å; R291-L308 HydrophobicContact CB-CD1 4.28Å; Y306-L308 HydrophobicContact CD1-CD1 3.56Å; Y306-L308 HydrophobicContact CD1-CG 3.93Å; Y306-L308 HydrophobicContact CE1-CD1 4.05Å; Y306-L308 HydrophobicContact CG-CD1 4.33Å; L308-K311 PolarHBondContact O-N 2.81Å; L308-V312 VanDerWaalsContact O-CB 3.29Å; L308-V312 WeakPolarHBondContact O-CB 3.34Å; L308-V312 VanDerWaalsContact O-CG2 3.29Å; L308-V312 WeakPolarHBondContact O-CG2 3.27Å; L308-V312 PolarHBondContact O-N 3.34Å
309	E	98.6	Very high	96.2	Very high	68 Å²	68	77 Å²	77	32%	0.318	38%	0.376	S	S	.	.	H	α-helix	trans	-58.4	-56.9	-176.6	179.3	162.6	-137.9	0	0	111.6	Y290 K292 K311 N313	Y290-E309 HydrophobicContact CD2-CB 3.92Å; Y290-E309 VanDerWaalsContact CE2-CA 3.44Å; Y290-E309 HydrophobicContact CE2-CB 3.43Å; Y290-E309 VanDerWaalsContact CE2-CB 3.43Å; Y290-E309 HydrophobicContact CE2-CG 3.56Å; K292-E309 WeakPolarHBondContact CE-OE2 3.24Å; K292-E309 VanDerWaalsContact NZ-CD 3.32Å; K292-E309 IonicContact NZ-OE1 3.89Å; K292-E309 PolarHBondContact NZ-OE1 3.07Å; K292-E309 IonicContact NZ-OE2 2.81Å; K292-E309 PolarHBondContact NZ-OE2 3Å; E309-K311 VanDerWaalsContact C-N 3.35Å; E309-K311 PolarHBondContact O-N 2.86Å; E309-N313 VanDerWaalsContact O-CB 3.27Å; E309-N313 WeakPolarHBondContact O-CB 3.27Å; E309-N313 PolarHBondContact O-N 2.71Å; E309-N313 PolarHBondContact O-ND2 3.1Å
310	D	98.1	Very high	96.7	Very high	127 Å²	127	68.4 Å²	68.4	68%	0.679	35%	0.349	S	S	*	.	H	α-helix	trans	-63.7	-41.5	179.9	-68.5	-28.3	0	0	0	111.5	F314	D310-F314 WeakPolarHBondContact O-CB 3.45Å; D310-F314 PolarHBondContact O-N 3.08Å
311	K	98.7	Very high	97.1	Very high	77 Å²	77	60.3 Å²	60.3	34%	0.335	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-49.5	179.7	-77.1	177.4	170.5	171.1	0	112.8	A151 D307 L308 E309 A315	A151-K311 HydrophobicContact CB-CB 4.16Å; A151-K311 WeakPolarHBondContact CB-O 3.46Å; A151-K311 WeakPolarHBondContact O-CD 3.29Å; D307-K311 WeakPolarHBondContact O-CD 3.43Å; D307-K311 WeakPolarHBondContact O-CG 3.5Å; D307-K311 IonicContact OD1-NZ 2.9Å; D307-K311 PolarHBondContact OD1-NZ 3.29Å; D307-K311 WeakPolarHBondContact OD2-CE 3.4Å; D307-K311 IonicContact OD2-NZ 2.98Å; D307-K311 PolarHBondContact OD2-NZ 3.34Å; L308-K311 PolarHBondContact O-N 2.81Å; E309-K311 VanDerWaalsContact C-N 3.35Å; E309-K311 PolarHBondContact O-N 2.86Å; K311-A315 VanDerWaalsContact O-CB 3.28Å; K311-A315 WeakPolarHBondContact O-CB 3.28Å; K311-A315 PolarHBondContact O-N 3.02Å
312	V	98.9	Very high	97.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-48.2	-179.9	168.1	0	0	0	0	110.1	N135 A151 L271 I288 Y290 L308 F314 A315 V316	N135-V312 HydrophobicContact CB-CG1 4.24Å; A151-V312 HydrophobicContact CB-CG2 4.13Å; L271-V312 HydrophobicContact CD2-CG2 3.78Å; I288-V312 HydrophobicContact CB-CG1 4.03Å; I288-V312 HydrophobicContact CD1-CG1 4Å; I288-V312 HydrophobicContact CG2-CG1 3.59Å; I288-V312 HydrophobicContact CG2-CG2 4.3Å; Y290-V312 HydrophobicContact CD1-CB 3.99Å; Y290-V312 HydrophobicContact CD1-CG1 3.84Å; Y290-V312 HydrophobicContact CD1-CG2 4.21Å; Y290-V312 HydrophobicContact CE1-CB 4.31Å; Y290-V312 HydrophobicContact CE1-CG1 4.04Å; L308-V312 VanDerWaalsContact O-CB 3.29Å; L308-V312 WeakPolarHBondContact O-CB 3.34Å; L308-V312 VanDerWaalsContact O-CG2 3.29Å; L308-V312 WeakPolarHBondContact O-CG2 3.27Å; L308-V312 PolarHBondContact O-N 3.34Å; V312-F314 VanDerWaalsContact C-N 3.34Å; V312-F314 PolarHBondContact O-N 2.89Å; V312-A315 PolarHBondContact O-N 2.94Å; V312-V316 WeakPolarHBondContact O-CG2 3.31Å; V312-V316 PolarHBondContact O-N 2.95Å
313	N	98.9	Very high	97.7	Very high	26 Å²	26	52.4 Å²	52.4	14%	0.139	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-43.2	-178.9	-68.2	-27.1	0	0	0	110.8	Y98 N135 Y290 E309 A315 V316 F317	Y98-N313 HydrophobicContact CE1-CB 4.4Å; Y98-N313 HydrophobicContact CE2-CB 3.86Å; Y98-N313 VanDerWaalsContact OH-C 3.31Å; Y98-N313 VanDerWaalsContact OH-CA 3.3Å; Y98-N313 WeakPolarHBondContact OH-CA 3.28Å; Y98-N313 PolarHBondContact OH-O 2.79Å; N135-N313 PolarHBondContact ND2-OD1 2.97Å; Y290-N313 PolarHBondContact OH-ND2 3.5Å; E309-N313 VanDerWaalsContact O-CB 3.27Å; E309-N313 WeakPolarHBondContact O-CB 3.27Å; E309-N313 PolarHBondContact O-N 2.71Å; E309-N313 PolarHBondContact O-ND2 3.1Å; N313-A315 PolarHBondContact O-N 2.92Å; N313-V316 PolarHBondContact O-N 3.23Å; N313-F317 CarbonylContact O-C 3.59Å; N313-F317 PolarHBondContact O-N 3.07Å
314	F	98.8	Very high	97.9	Very high	129 Å²	129	47.1 Å²	47.1	57%	0.566	25%	0.249	S	C	*	.	H	α-helix	trans	-65.9	-36.9	177.1	-166.1	-86.9	0	0	0	113.2	D310 V312 F317 P318 S319	D310-F314 WeakPolarHBondContact O-CB 3.45Å; D310-F314 PolarHBondContact O-N 3.08Å; V312-F314 VanDerWaalsContact C-N 3.34Å; V312-F314 PolarHBondContact O-N 2.89Å; F314-F317 CarbonylContact C-O 3.54Å; F314-F317 VanDerWaalsContact CA-O 3.3Å; F314-F317 WeakPolarHBondContact CA-O 3.36Å; F314-F317 CarbonylContact O-C 3.52Å; F314-P318 HydrophobicContact CE1-CG 4.41Å; F314-P318 HydrophobicContact CE2-CG 4.02Å; F314-P318 HydrophobicContact CZ-CG 3.95Å; F314-P318 WeakPolarHBondContact O-CD 3.48Å; F314-S319 VanDerWaalsContact CD1-OG 3.29Å; F314-S319 WeakPolarHBondContact CD1-OG 3.21Å; F314-S319 WeakPolarHBondContact CE1-OG 3.22Å; F314-S319 WeakPolarHBondContact O-CB 3.46Å; F314-S319 PolarHBondContact O-N 3.42Å; F314-S319 PolarHBondContact O-OG 3.47Å
315	A	98.9	Very high	98.3	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	25%	0.249	C	C	.	.	I	π-helix	trans	-66.9	-40.1	176.9	0	0	0	0	0	112.1	A147 T150 A151 K311 V312 N313 S319 L320	A147-A315 WeakPolarHBondContact O-CB 3.39Å; T150-A315 HydrophobicContact CG2-CB 4.37Å; A151-A315 HydrophobicContact CB-CB 3.67Å; K311-A315 VanDerWaalsContact O-CB 3.28Å; K311-A315 WeakPolarHBondContact O-CB 3.28Å; K311-A315 PolarHBondContact O-N 3.02Å; V312-A315 PolarHBondContact O-N 2.94Å; N313-A315 PolarHBondContact O-N 2.92Å; A315-S319 WeakPolarHBondContact O-CB 3.49Å; A315-L320 WeakPolarHBondContact O-CB 3.18Å; A315-L320 WeakPolarHBondContact O-CD1 3.42Å; A315-L320 WeakPolarHBondContact O-CG 3.34Å; A315-L320 PolarHBondContact O-N 3.27Å
316	V	98.9	Very high	98.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.224	C	C	.	.	I	π-helix	trans	-64.5	-53.9	173.9	173.1	0	0	0	0	110.1	Q137 P138 A147 I288 V312 N313 Q321	Q137-V316 HydrophobicContact CB-CG1 4.02Å; P138-V316 HydrophobicContact CG-CG2 4.35Å; A147-V316 HydrophobicContact CB-CG2 3.86Å; I288-V316 HydrophobicContact CD1-CG2 3.69Å; V312-V316 WeakPolarHBondContact O-CG2 3.31Å; V312-V316 PolarHBondContact O-N 2.95Å; N313-V316 PolarHBondContact O-N 3.23Å; V316-Q321 WeakPolarHBondContact O-CB 3.49Å; V316-Q321 PolarHBondContact O-N 3.17Å
317	F	98.8	Very high	98.6	Very high	18 Å²	18	42.3 Å²	42.3	8%	0.079	23%	0.225	C	C	.	.	I	π-helix	trans	-142.9	127.1	175.6	176.7	-86.6	0	0	0	109.5	E96 Y103 N313 F314 Q321	E96-F317 HydrophobicContact CB-CE1 4.43Å; E96-F317 HydrophobicContact CB-CE2 3.73Å; E96-F317 HydrophobicContact CB-CZ 3.67Å; E96-F317 HydrophobicContact CG-CD2 4.32Å; E96-F317 HydrophobicContact CG-CE2 3.6Å; E96-F317 HydrophobicContact CG-CZ 4.06Å; Y103-F317 AromaticContact CD2-CE1 3.98Å; Y103-F317 HydrophobicContact CD2-CE1 3.98Å; Y103-F317 HydrophobicContact CD2-CZ 4.13Å; Y103-F317 AromaticContact CE2-CE1 3.5Å; Y103-F317 HydrophobicContact CE2-CE1 3.5Å; Y103-F317 VanDerWaalsContact CE2-CE1 3.5Å; Y103-F317 AromaticContact CE2-CZ 3.94Å; Y103-F317 HydrophobicContact CE2-CZ 3.94Å; N313-F317 CarbonylContact O-C 3.59Å; N313-F317 PolarHBondContact O-N 3.07Å; F314-F317 CarbonylContact C-O 3.54Å; F314-F317 VanDerWaalsContact CA-O 3.3Å; F314-F317 WeakPolarHBondContact CA-O 3.36Å; F314-F317 CarbonylContact O-C 3.52Å; F317-Q321 VanDerWaalsContact CD2-O 3.29Å; F317-Q321 WeakPolarHBondContact CD2-O 3.32Å
318	P	98.6	Very high	98.7	Very high	60 Å²	60	39 Å²	39	39%	0.39	21%	0.208	S	C	.	.	I	π-helix	cis	-95.9	3.4	17.5	36.9	-37.2	0	0	0	115.2	F314	F314-P318 HydrophobicContact CE1-CG 4.41Å; F314-P318 HydrophobicContact CE2-CG 4.02Å; F314-P318 HydrophobicContact CZ-CG 3.95Å; F314-P318 WeakPolarHBondContact O-CD 3.48Å
319	S	98.6	Very high	98.7	Very high	57 Å²	57	39.2 Å²	39.2	40%	0.399	21%	0.209	S	C	.	.	I	π-helix	trans	-73.4	-38.4	-163.1	-49.8	0	0	0	0	114.4	F314 A315	F314-S319 VanDerWaalsContact CD1-OG 3.29Å; F314-S319 WeakPolarHBondContact CD1-OG 3.21Å; F314-S319 WeakPolarHBondContact CE1-OG 3.22Å; F314-S319 WeakPolarHBondContact O-CB 3.46Å; F314-S319 PolarHBondContact O-N 3.42Å; F314-S319 PolarHBondContact O-OG 3.47Å; A315-S319 WeakPolarHBondContact O-CB 3.49Å
320	L	98.8	Very high	98.7	Very high	80 Å²	80	36.5 Å²	36.5	42%	0.419	20%	0.198	S	C	.	.	I	π-helix	trans	-120.9	-38.7	-171.1	-66.9	171.5	0	0	0	114.2	F146 A147 T150 A315	F146-L320 HydrophobicContact CD1-CD1 4.1Å; F146-L320 HydrophobicContact CD1-CD2 4.17Å; F146-L320 HydrophobicContact CE1-CD2 4.15Å; A147-L320 VanDerWaalsContact CA-CD1 3.48Å; A147-L320 HydrophobicContact CB-CD1 3.8Å; T150-L320 HydrophobicContact CG2-CD1 4.35Å; A315-L320 WeakPolarHBondContact O-CB 3.18Å; A315-L320 WeakPolarHBondContact O-CD1 3.42Å; A315-L320 WeakPolarHBondContact O-CG 3.34Å; A315-L320 PolarHBondContact O-N 3.27Å
321	Q	98.8	Very high	98.8	Very high	23 Å²	23	30.5 Å²	30.5	11%	0.107	17%	0.166	C	C	.	.			trans	-111.9	164	-178.9	-55.1	-169.2	160.3	0	0	111.4	Q137 Y139 V316 F317	Q137-Q321 PolarHBondContact O-NE2 3.2Å; Y139-Q321 HydrophobicContact CD2-CG 4.21Å; Y139-Q321 HydrophobicContact CE2-CB 4.01Å; Y139-Q321 HydrophobicContact CE2-CG 3.86Å; V316-Q321 WeakPolarHBondContact O-CB 3.49Å; V316-Q321 PolarHBondContact O-N 3.17Å; F317-Q321 VanDerWaalsContact CD2-O 3.29Å; F317-Q321 WeakPolarHBondContact CD2-O 3.32Å
322	G	98.6	Very high	98.8	Very high	22 Å²	22	26.9 Å²	26.9	23%	0.227	15%	0.15	C	C	.	.			trans	-107.1	-123.7	170.2	0	0	0	0	0	111.4	E96	E96-G322 VanDerWaalsContact OE1-CA 3.26Å; E96-G322 WeakPolarHBondContact OE1-CA 3.27Å
323	G	98.2	Very high	98.8	Very high	8 Å²	8	27.1 Å²	27.1	8%	0.082	15%	0.152	C	C	.	.	S	Bend	trans	-59.3	125.7	-179.7	0	0	0	0	0	115	Y94 E96 Y139	Y94-G323 PolarHBondContact OH-N 3.3Å; E96-G323 PolarHBondContact OE1-N 3.23Å; Y139-G323 PolarHBondContact OH-O 3.44Å
324	P	98.7	Very high	98.8	Very high	7 Å²	7	27.7 Å²	27.7	5%	0.045	16%	0.157	C	C	.	.			trans	-62	145.5	176.6	-22.7	33.5	0	0	0	113.2	S95 Q137 N326 I329	S95-P324 WeakPolarHBondContact O-CD 3.3Å; Q137-P324 HydrophobicContact CG-CB 4.19Å; Q137-P324 HydrophobicContact CG-CG 4.26Å; P324-N326 PolarHBondContact O-N 2.87Å; P324-I329 HydrophobicContact CB-CD1 4.02Å
325	H	98.9	Very high	98.8	Very high	82 Å²	82	21.7 Å²	21.7	38%	0.38	13%	0.13	S	C	.	.			trans	-82.3	79.6	174.3	-69.3	-172.6	0	0	0	110.8	Y139 H327 A328 I329	Y139-H325 AromaticContact CD1-CD2 3.99Å; Y139-H325 AromaticContact CD1-CE1 3.97Å; Y139-H325 AromaticContact CD1-CG 3.94Å; Y139-H325 AromaticContact CD1-ND1 3.93Å; Y139-H325 AromaticContact CE1-CD2 3.57Å; Y139-H325 AromaticContact CE1-CG 3.96Å; Y139-H325 AromaticContact CE1-NE2 3.72Å; Y139-H325 AromaticContact CZ-NE2 3.93Å; H325-H327 VanDerWaalsContact C-N 3.3Å; H325-H327 AromaticContact CG-CE1 3.95Å; H325-H327 PolarHBondContact O-N 3.5Å; H325-A328 HydrophobicContact CB-CB 3.96Å; H325-A328 WeakPolarHBondContact O-CA 3.45Å; H325-A328 WeakPolarHBondContact O-CB 3.27Å; H325-A328 PolarHBondContact O-N 3.01Å; H325-I329 PolarHBondContact O-N 3.45Å
326	N	98.9	Very high	98.8	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-37.8	-173.5	-70.4	-54.7	0	0	0	114.4	L90 K93 S95 V110 P324 A328 I329 A330	L90-N326 HydrophobicContact CB-CB 4.11Å; K93-N326 PolarHBondContact O-ND2 2.94Å; S95-N326 PolarHBondContact OG-ND2 2.83Å; S95-N326 PolarHBondContact OG-OD1 3.17Å; V110-N326 HydrophobicContact CG1-CB 4.07Å; P324-N326 PolarHBondContact O-N 2.87Å; N326-A328 VanDerWaalsContact C-N 3.34Å; N326-A328 PolarHBondContact O-N 3.42Å; N326-I329 PolarHBondContact O-N 2.86Å; N326-A330 PolarHBondContact O-N 2.9Å
327	H	98.9	Very high	98.8	Very high	24 Å²	24	27.7 Å²	27.7	11%	0.111	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-40.6	173.8	61.7	-65.6	0	0	0	112.4	Q86 L90 N91 H325 A330 G331	Q86-H327 PolarHBondContact NE2-CD2 3.24Å; Q86-H327 VanDerWaalsContact NE2-CD2 3.31Å; Q86-H327 PolarHBondContact NE2-NE2 3.39Å; Q86-H327 PolarHBondContact O-CD2 3.08Å; Q86-H327 VanDerWaalsContact O-CD2 3.24Å; L90-H327 HydrophobicContact CB-CB 3.94Å; N91-H327 HydrophobicContact CB-CB 4.41Å; N91-H327 PolarHBondContact OD1-CE1 3.47Å; H325-H327 VanDerWaalsContact C-N 3.3Å; H325-H327 AromaticContact CG-CE1 3.95Å; H325-H327 PolarHBondContact O-N 3.5Å; H327-A330 PolarHBondContact O-N 3.16Å; H327-G331 PolarHBondContact O-N 2.88Å; H327-G331 VanDerWaalsContact O-N 3.08Å
328	A	98.9	Very high	98.8	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-43.9	174.1	0	0	0	0	0	112	Q86 S283 H325 N326 A330 G331 V332	Q86-A328 VanDerWaalsContact OE1-CA 3.29Å; S283-A328 PolarHBondContact OG-O 3.09Å; H325-A328 HydrophobicContact CB-CB 3.96Å; H325-A328 WeakPolarHBondContact O-CA 3.45Å; H325-A328 WeakPolarHBondContact O-CB 3.27Å; H325-A328 PolarHBondContact O-N 3.01Å; N326-A328 VanDerWaalsContact C-N 3.34Å; N326-A328 PolarHBondContact O-N 3.42Å; A328-A330 VanDerWaalsContact C-N 3.26Å; A328-A330 PolarHBondContact O-N 3.44Å; A328-G331 PolarHBondContact O-N 3.26Å; A328-G331 VanDerWaalsContact O-N 3.14Å; A328-V332 VanDerWaalsContact O-CG2 3.28Å; A328-V332 WeakPolarHBondContact O-CG2 3.41Å; A328-V332 PolarHBondContact O-N 3.16Å
329	I	98.9	Very high	98.8	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-57.3	-40.9	176	-65.1	171.5	0	0	0	110.7	I113 C117 V136 Q137 P324 H325 N326 V332 A333	I113-I329 HydrophobicContact CG2-CG2 4.25Å; C117-I329 HydrophobicContact CB-CG2 3.68Å; C117-I329 PolarHBondContact SG-O 2.92Å; V136-I329 HydrophobicContact CG2-CD1 4.45Å; V136-I329 HydrophobicContact CG2-CG2 4.09Å; Q137-I329 HydrophobicContact CG-CD1 4.3Å; P324-I329 HydrophobicContact CB-CD1 4.02Å; H325-I329 PolarHBondContact O-N 3.45Å; N326-I329 PolarHBondContact O-N 2.86Å; I329-V332 PolarHBondContact O-N 2.89Å; I329-A333 PolarHBondContact O-N 2.9Å
330	A	98.9	Very high	98.8	Very high	12 Å²	12	27 Å²	27	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-45.5	175.1	0	0	0	0	0	112.6	A85 L90 I113 N326 H327 A328 V332 A333 V334	A85-A330 HydrophobicContact CB-CB 4.13Å; L90-A330 HydrophobicContact CD1-CB 3.34Å; I113-A330 HydrophobicContact CG2-CB 4Å; N326-A330 PolarHBondContact O-N 2.9Å; H327-A330 PolarHBondContact O-N 3.16Å; A328-A330 VanDerWaalsContact C-N 3.26Å; A328-A330 PolarHBondContact O-N 3.44Å; A330-V332 VanDerWaalsContact C-N 3.28Å; A330-V332 PolarHBondContact O-N 3.27Å; A330-A333 WeakPolarHBondContact O-CB 3.14Å; A330-A333 PolarHBondContact O-N 2.75Å; A330-A333 VanDerWaalsContact O-N 3.14Å; A330-V334 WeakPolarHBondContact O-CG2 3.29Å; A330-V334 PolarHBondContact O-N 3.25Å
331	G	98.9	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-38.6	173.9	0	0	0	0	0	112.8	H327 A328 V334 A335	H327-G331 PolarHBondContact O-N 2.88Å; H327-G331 VanDerWaalsContact O-N 3.08Å; A328-G331 PolarHBondContact O-N 3.26Å; A328-G331 VanDerWaalsContact O-N 3.14Å; G331-V334 PolarHBondContact O-N 3.08Å; G331-A335 PolarHBondContact O-N 3.31Å; G331-A335 VanDerWaalsContact O-N 3.08Å
332	V	98.9	Very high	98.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-45	173.2	173.8	0	0	0	0	111.1	T276 A285 L287 A328 I329 A330 V334 A335 L336	T276-V332 HydrophobicContact CG2-CB 4.37Å; T276-V332 HydrophobicContact CG2-CG1 3.67Å; T276-V332 HydrophobicContact CG2-CG2 3.69Å; A285-V332 HydrophobicContact CB-CG2 3.76Å; L287-V332 HydrophobicContact CD2-CG1 4.39Å; A328-V332 VanDerWaalsContact O-CG2 3.28Å; A328-V332 WeakPolarHBondContact O-CG2 3.41Å; A328-V332 PolarHBondContact O-N 3.16Å; I329-V332 PolarHBondContact O-N 2.89Å; A330-V332 VanDerWaalsContact C-N 3.28Å; A330-V332 PolarHBondContact O-N 3.27Å; V332-V334 PolarHBondContact O-N 3.12Å; V332-A335 PolarHBondContact O-N 3.02Å; V332-A335 VanDerWaalsContact O-N 3.1Å; V332-L336 HydrophobicContact CG1-CD1 3.69Å; V332-L336 HydrophobicContact CG1-CG 4.12Å; V332-L336 WeakPolarHBondContact O-CG 3.21Å; V332-L336 PolarHBondContact O-N 3.41Å
333	A	98.9	Very high	98.8	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-33.3	177.6	0	0	0	0	0	112.5	C117 R120 I329 A330 K337	C117-A333 HydrophobicContact CB-CB 3.85Å; R120-A333 VanDerWaalsContact CD-O 3.27Å; R120-A333 WeakPolarHBondContact CD-O 3.34Å; R120-A333 PolarHBondContact NH1-O 3.19Å; I329-A333 PolarHBondContact O-N 2.9Å; A330-A333 WeakPolarHBondContact O-CB 3.14Å; A330-A333 PolarHBondContact O-N 2.75Å; A330-A333 VanDerWaalsContact O-N 3.14Å; A333-K337 PolarHBondContact O-N 3.49Å
334	V	98.9	Very high	98.8	Very high	39 Å²	39	33.3 Å²	33.3	24%	0.236	17%	0.174	C	C	.	.	H	α-helix	trans	-66.5	-49.8	172	173	0	0	0	0	110.7	A81 A82 A85 A330 G331 V332 L336 K337 Q338	A81-V334 HydrophobicContact CB-CG1 3.92Å; A82-V334 HydrophobicContact CB-CB 4.37Å; A82-V334 HydrophobicContact CB-CG1 4.16Å; A85-V334 HydrophobicContact CB-CG2 4.42Å; A330-V334 WeakPolarHBondContact O-CG2 3.29Å; A330-V334 PolarHBondContact O-N 3.25Å; G331-V334 PolarHBondContact O-N 3.08Å; V332-V334 PolarHBondContact O-N 3.12Å; V334-L336 VanDerWaalsContact C-N 3.35Å; V334-L336 PolarHBondContact O-N 3.04Å; V334-K337 WeakPolarHBondContact O-CB 3.43Å; V334-K337 PolarHBondContact O-N 3.16Å; V334-Q338 WeakPolarHBondContact O-CG 3.3Å; V334-Q338 PolarHBondContact O-N 3.48Å; V334-Q338 VanDerWaalsContact O-N 3.08Å
335	A	98.9	Very high	98.8	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-40	179.6	0	0	0	0	0	112.6	G282 G331 V332 K337 Q338 A339	G282-A335 VanDerWaalsContact CA-CB 3.42Å; G331-A335 PolarHBondContact O-N 3.31Å; G331-A335 VanDerWaalsContact O-N 3.08Å; V332-A335 PolarHBondContact O-N 3.02Å; V332-A335 VanDerWaalsContact O-N 3.1Å; A335-K337 VanDerWaalsContact C-N 3.34Å; A335-K337 PolarHBondContact O-N 2.77Å; A335-Q338 WeakPolarHBondContact O-CB 3.36Å; A335-Q338 PolarHBondContact O-N 2.83Å; A335-Q338 VanDerWaalsContact O-N 3.11Å; A335-A339 PolarHBondContact O-N 3.24Å
336	L	98.9	Very high	98.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-38.1	176.4	-71	167.4	0	0	0	112.2	R120 A121 A124 F125 L280 V332 V334 Q338 A339 Q340	R120-L336 HydrophobicContact CB-CB 3.88Å; R120-L336 HydrophobicContact CB-CD1 4.38Å; A121-L336 HydrophobicContact CB-CD1 3.72Å; A121-L336 HydrophobicContact CB-CD2 4.44Å; A124-L336 HydrophobicContact CB-CD2 3.97Å; F125-L336 HydrophobicContact CE2-CD2 4.47Å; L280-L336 HydrophobicContact CD2-CD2 4.13Å; V332-L336 HydrophobicContact CG1-CD1 3.69Å; V332-L336 HydrophobicContact CG1-CG 4.12Å; V332-L336 WeakPolarHBondContact O-CG 3.21Å; V332-L336 PolarHBondContact O-N 3.41Å; V334-L336 VanDerWaalsContact C-N 3.35Å; V334-L336 PolarHBondContact O-N 3.04Å; L336-Q338 VanDerWaalsContact C-N 3.34Å; L336-A339 PolarHBondContact O-N 3.49Å; L336-Q340 WeakPolarHBondContact O-CG 3.37Å; L336-Q340 PolarHBondContact O-N 3.05Å
337	K	98.9	Very high	98.8	Very high	130 Å²	130	42.1 Å²	42.1	57%	0.565	21%	0.209	S	C	*	.	H	α-helix	trans	-62.9	-41.7	171.8	-179.5	177.5	178.2	178.2	0	111.4	A333 V334 A335 A339 Q340	A333-K337 PolarHBondContact O-N 3.49Å; V334-K337 WeakPolarHBondContact O-CB 3.43Å; V334-K337 PolarHBondContact O-N 3.16Å; A335-K337 VanDerWaalsContact C-N 3.34Å; A335-K337 PolarHBondContact O-N 2.77Å; K337-A339 VanDerWaalsContact C-N 3.32Å; K337-Q340 PolarHBondContact O-N 2.86Å
338	Q	98.9	Very high	98.8	Very high	49 Å²	49	41 Å²	41	23%	0.229	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-39.5	177.1	-67.4	170.2	-4.9	0	0	111.3	S79 V334 A335 L336 Q340 S341 F344	S79-Q338 PolarHBondContact OG-NE2 2.71Å; S79-Q338 PolarHBondContact OG-OE1 3.38Å; V334-Q338 WeakPolarHBondContact O-CG 3.3Å; V334-Q338 PolarHBondContact O-N 3.48Å; V334-Q338 VanDerWaalsContact O-N 3.08Å; A335-Q338 WeakPolarHBondContact O-CB 3.36Å; A335-Q338 PolarHBondContact O-N 2.83Å; A335-Q338 VanDerWaalsContact O-N 3.11Å; L336-Q338 VanDerWaalsContact C-N 3.34Å; Q338-Q340 PolarHBondContact O-N 3.48Å; Q338-S341 VanDerWaalsContact O-CB 3.31Å; Q338-S341 WeakPolarHBondContact O-CB 3.41Å; Q338-S341 PolarHBondContact O-N 2.97Å; Q338-S341 PolarHBondContact O-OG 3.17Å; Q338-F344 VanDerWaalsContact O-CB 3.23Å; Q338-F344 WeakPolarHBondContact O-CB 3.45Å
339	A	98.8	Very high	98.8	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-24.9	179.5	0	0	0	0	0	113.8	A258 L280 A335 L336 K337 S341 F344	A258-A339 HydrophobicContact CB-CB 4.41Å; L280-A339 HydrophobicContact CD1-CB 3.95Å; A335-A339 PolarHBondContact O-N 3.24Å; L336-A339 PolarHBondContact O-N 3.49Å; K337-A339 VanDerWaalsContact C-N 3.32Å; A339-S341 VanDerWaalsContact C-N 3.31Å; A339-F344 HydrophobicContact CB-CD1 4.08Å; A339-F344 HydrophobicContact CB-CE1 3.98Å; A339-F344 HydrophobicContact CB-CG 4.43Å; A339-F344 HydrophobicContact CB-CZ 4.26Å; A339-F344 WeakPolarHBondContact O-CD1 3.36Å
340	Q	98.6	Very high	98.8	Very high	71 Å²	71	43.5 Å²	43.5	33%	0.332	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-9.9	176.2	-64.7	174.7	29	0	0	113.6	R120 E123 A124 L336 K337 Q338	R120-Q340 PolarHBondContact O-NE2 2.93Å; E123-Q340 PolarHBondContact OE2-NE2 3Å; A124-Q340 HydrophobicContact CB-CG 4.07Å; L336-Q340 WeakPolarHBondContact O-CG 3.37Å; L336-Q340 PolarHBondContact O-N 3.05Å; K337-Q340 PolarHBondContact O-N 2.86Å; Q338-Q340 PolarHBondContact O-N 3.48Å
341	S	98.6	Very high	98.8	Very high	34 Å²	34	43 Å²	43	24%	0.238	22%	0.218	C	C	.	.	S	Bend	trans	-79.1	152	-174	71.7	0	0	0	0	113.3	Q338 A339 M343 F344 R345	Q338-S341 VanDerWaalsContact O-CB 3.31Å; Q338-S341 WeakPolarHBondContact O-CB 3.41Å; Q338-S341 PolarHBondContact O-N 2.97Å; Q338-S341 PolarHBondContact O-OG 3.17Å; A339-S341 VanDerWaalsContact C-N 3.31Å; S341-M343 VanDerWaalsContact C-N 3.27Å; S341-M343 PolarHBondContact O-N 3.12Å; S341-F344 PolarHBondContact O-N 3.25Å; S341-F344 VanDerWaalsContact O-N 3.12Å; S341-F344 PolarHBondContact OG-N 3.43Å; S341-R345 PolarHBondContact O-N 3.24Å
342	P	98.6	Very high	98.8	Very high	93 Å²	93	44.4 Å²	44.4	60%	0.604	23%	0.225	S	C	*	.	H	α-helix	trans	-55.7	-41	171.4	-26	35	0	0	0	113	F344 R345 E346	P342-F344 PolarHBondContact O-N 3Å; P342-R345 WeakPolarHBondContact O-CB 3.48Å; P342-R345 PolarHBondContact O-N 2.94Å; P342-E346 PolarHBondContact O-N 2.99Å
343	M	98.3	Very high	98.8	Very high	132 Å²	132	49.6 Å²	49.6	65%	0.65	25%	0.247	S	C	*	.	H	α-helix	trans	-58.3	-36.1	177.4	-171.2	-156.8	-50	0	0	112.3	S341 E346 Y347	S341-M343 VanDerWaalsContact C-N 3.27Å; S341-M343 PolarHBondContact O-N 3.12Å; M343-E346 PolarHBondContact O-N 2.69Å; M343-Y347 WeakPolarHBondContact O-CB 3.39Å; M343-Y347 PolarHBondContact O-N 2.83Å
344	F	98.9	Very high	98.8	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-69.7	-36.5	176.4	-171.5	-96.5	0	0	0	112	G255 A259 Q338 A339 S341 P342 Y347 I348	G255-F344 WeakPolarHBondContact O-CE1 3.13Å; A259-F344 HydrophobicContact CB-CD1 4.23Å; A259-F344 HydrophobicContact CB-CE1 4.32Å; Q338-F344 VanDerWaalsContact O-CB 3.23Å; Q338-F344 WeakPolarHBondContact O-CB 3.45Å; A339-F344 HydrophobicContact CB-CD1 4.08Å; A339-F344 HydrophobicContact CB-CE1 3.98Å; A339-F344 HydrophobicContact CB-CG 4.43Å; A339-F344 HydrophobicContact CB-CZ 4.26Å; A339-F344 WeakPolarHBondContact O-CD1 3.36Å; S341-F344 PolarHBondContact O-N 3.25Å; S341-F344 VanDerWaalsContact O-N 3.12Å; S341-F344 PolarHBondContact OG-N 3.43Å; P342-F344 PolarHBondContact O-N 3Å; F344-Y347 HydrophobicContact CD2-CD1 4Å; F344-Y347 AromaticContact CE2-CD1 3.95Å; F344-Y347 HydrophobicContact CE2-CD1 3.95Å; F344-Y347 HydrophobicContact CE2-CE1 4.12Å; F344-Y347 WeakPolarHBondContact O-CB 3.37Å; F344-Y347 PolarHBondContact O-N 2.99Å; F344-I348 HydrophobicContact CD1-CG1 4.03Å; F344-I348 HydrophobicContact CE1-CD1 4.14Å; F344-I348 HydrophobicContact CE1-CG1 3.68Å; F344-I348 HydrophobicContact CZ-CD1 4.04Å; F344-I348 HydrophobicContact CZ-CG1 4.06Å; F344-I348 WeakPolarHBondContact O-CG1 3.4Å; F344-I348 PolarHBondContact O-N 2.81Å
345	R	98.8	Very high	98.8	Very high	120 Å²	120	47.5 Å²	47.5	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-42.2	172.8	-63.9	-177	-179	156.6	2.8	111.7	A259 S341 P342 I348 A349	A259-R345 HydrophobicContact CB-CG 4.16Å; S341-R345 PolarHBondContact O-N 3.24Å; P342-R345 WeakPolarHBondContact O-CB 3.48Å; P342-R345 PolarHBondContact O-N 2.94Å; R345-I348 PolarHBondContact O-N 2.88Å; R345-A349 WeakPolarHBondContact O-CB 3.29Å; R345-A349 PolarHBondContact O-N 3.25Å
346	E	98.8	Very high	98.8	Very high	135 Å²	135	53.3 Å²	53.3	63%	0.631	26%	0.259	S	S	*	.	H	α-helix	trans	-61.8	-44.1	173.8	-70.3	172.9	-174.4	0	0	112	P342 M343 I348 A349 Q350	P342-E346 PolarHBondContact O-N 2.99Å; M343-E346 PolarHBondContact O-N 2.69Å; E346-I348 PolarHBondContact O-N 3.13Å; E346-A349 PolarHBondContact O-N 2.98Å; E346-Q350 PolarHBondContact O-N 2.7Å
347	Y	98.9	Very high	98.8	Very high	20 Å²	20	54.1 Å²	54.1	8%	0.078	27%	0.266	C	S	.	.	H	α-helix	trans	-56	-50.7	173.6	160.5	-108.5	0	0	0	111.6	N76 M343 F344 A349 Q350 V351 P426 T429 S430	N76-Y347 PolarHBondContact ND2-OH 3.04Å; M343-Y347 WeakPolarHBondContact O-CB 3.39Å; M343-Y347 PolarHBondContact O-N 2.83Å; F344-Y347 HydrophobicContact CD2-CD1 4Å; F344-Y347 AromaticContact CE2-CD1 3.95Å; F344-Y347 HydrophobicContact CE2-CD1 3.95Å; F344-Y347 HydrophobicContact CE2-CE1 4.12Å; F344-Y347 WeakPolarHBondContact O-CB 3.37Å; F344-Y347 PolarHBondContact O-N 2.99Å; Y347-A349 PolarHBondContact O-N 3.01Å; Y347-Q350 WeakPolarHBondContact O-CB 3.42Å; Y347-Q350 PolarHBondContact O-N 3.01Å; Y347-V351 HydrophobicContact CD2-CG2 4.19Å; Y347-V351 HydrophobicContact CE1-CG2 4.22Å; Y347-V351 HydrophobicContact CE2-CG2 3.66Å; Y347-V351 WeakPolarHBondContact O-CG2 3.36Å; Y347-V351 PolarHBondContact O-N 3.13Å; Y347-P426 PolarHBondContact OH-O 3.45Å; Y347-T429 HydrophobicContact CD2-CG2 3.9Å; Y347-T429 HydrophobicContact CE2-CG2 3.89Å; Y347-S430 WeakPolarHBondContact CE2-OG 3.31Å; Y347-S430 PolarHBondContact OH-OG 3.49Å; Y347-S430 VanDerWaalsContact OH-OG 3.11Å
348	I	98.9	Very high	98.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-39.9	179.6	-67.9	-60.3	0	0	0	111.9	L256 A259 A261 F344 R345 E346 Q350 V351 L352	L256-I348 HydrophobicContact CB-CG2 4.36Å; L256-I348 HydrophobicContact CD1-CD1 4.12Å; L256-I348 HydrophobicContact CD1-CG2 4.48Å; L256-I348 HydrophobicContact CG-CG2 4.02Å; A259-I348 HydrophobicContact CB-CB 3.67Å; A259-I348 HydrophobicContact CB-CG1 3.64Å; A259-I348 HydrophobicContact CB-CG2 3.78Å; A261-I348 HydrophobicContact CB-CG2 3.53Å; F344-I348 HydrophobicContact CD1-CG1 4.03Å; F344-I348 HydrophobicContact CE1-CD1 4.14Å; F344-I348 HydrophobicContact CE1-CG1 3.68Å; F344-I348 HydrophobicContact CZ-CD1 4.04Å; F344-I348 HydrophobicContact CZ-CG1 4.06Å; F344-I348 WeakPolarHBondContact O-CG1 3.4Å; F344-I348 PolarHBondContact O-N 2.81Å; R345-I348 PolarHBondContact O-N 2.88Å; E346-I348 PolarHBondContact O-N 3.13Å; I348-Q350 VanDerWaalsContact C-N 3.25Å; I348-Q350 PolarHBondContact O-N 2.93Å; I348-V351 WeakPolarHBondContact O-CB 3.43Å; I348-V351 PolarHBondContact O-N 3.3Å; I348-V351 VanDerWaalsContact O-N 3.11Å; I348-L352 PolarHBondContact O-N 2.89Å; I348-L352 VanDerWaalsContact O-N 3.12Å
349	A	98.9	Very high	98.8	Very high	44 Å²	44	45.9 Å²	45.9	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-58.9	-41.3	174.1	0	0	0	0	0	111	R345 E346 Y347 L352 K353	R345-A349 WeakPolarHBondContact O-CB 3.29Å; R345-A349 PolarHBondContact O-N 3.25Å; E346-A349 PolarHBondContact O-N 2.98Å; Y347-A349 PolarHBondContact O-N 3.01Å; A349-L352 PolarHBondContact O-N 3.27Å; A349-K353 WeakPolarHBondContact O-CG 3.45Å; A349-K353 PolarHBondContact O-N 2.58Å; A349-K353 VanDerWaalsContact O-N 3.11Å
350	Q	98.9	Very high	98.8	Very high	20 Å²	20	48.6 Å²	48.6	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-39.1	174.1	-167.7	67.6	57.9	0	0	112.2	E346 Y347 I348 L352 K353 N354 T429 K434 E435	E346-Q350 PolarHBondContact O-N 2.7Å; Y347-Q350 WeakPolarHBondContact O-CB 3.42Å; Y347-Q350 PolarHBondContact O-N 3.01Å; I348-Q350 VanDerWaalsContact C-N 3.25Å; I348-Q350 PolarHBondContact O-N 2.93Å; Q350-L352 VanDerWaalsContact C-N 3.28Å; Q350-L352 PolarHBondContact O-N 2.97Å; Q350-K353 PolarHBondContact O-N 3.27Å; Q350-N354 PolarHBondContact NE2-OD1 3.43Å; Q350-N354 VanDerWaalsContact O-CB 3.29Å; Q350-N354 WeakPolarHBondContact O-CB 3.48Å; Q350-N354 PolarHBondContact O-N 3.11Å; Q350-T429 HydrophobicContact CB-CG2 3.78Å; Q350-T429 HydrophobicContact CG-CG2 3.67Å; Q350-K434 HydrophobicContact CG-CD 3.98Å; Q350-E435 VanDerWaalsContact NE2-CD 3.25Å; Q350-E435 PolarHBondContact NE2-OE2 2.72Å
351	V	98.9	Very high	98.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.7	-44.5	176.2	168.9	0	0	0	0	110.7	Y347 I348 A355 H377 A425 P426 T429	Y347-V351 HydrophobicContact CD2-CG2 4.19Å; Y347-V351 HydrophobicContact CE1-CG2 4.22Å; Y347-V351 HydrophobicContact CE2-CG2 3.66Å; Y347-V351 WeakPolarHBondContact O-CG2 3.36Å; Y347-V351 PolarHBondContact O-N 3.13Å; I348-V351 WeakPolarHBondContact O-CB 3.43Å; I348-V351 PolarHBondContact O-N 3.3Å; I348-V351 VanDerWaalsContact O-N 3.11Å; V351-A355 WeakPolarHBondContact O-CB 3.37Å; V351-A355 PolarHBondContact O-N 3.09Å; V351-H377 HydrophobicContact CG1-CB 3.5Å; V351-H377 VanDerWaalsContact CG1-CB 3.5Å; V351-A425 HydrophobicContact CG1-CB 4.21Å; V351-P426 HydrophobicContact CG1-CG 4.17Å; V351-T429 HydrophobicContact CG2-CG2 3.67Å
352	L	98.9	Very high	98.8	Very high	30 Å²	30	44 Å²	44	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-41.7	178.4	-65.4	-178.1	0	0	0	112.4	L256 A261 I348 A349 Q350 A355 K356	L256-L352 HydrophobicContact CD2-CD2 3.74Å; L256-L352 HydrophobicContact CG-CD2 4.42Å; A261-L352 HydrophobicContact CB-CD1 3.86Å; I348-L352 PolarHBondContact O-N 2.89Å; I348-L352 VanDerWaalsContact O-N 3.12Å; A349-L352 PolarHBondContact O-N 3.27Å; Q350-L352 VanDerWaalsContact C-N 3.28Å; Q350-L352 PolarHBondContact O-N 2.97Å; L352-A355 PolarHBondContact O-N 3.12Å; L352-K356 WeakPolarHBondContact O-CG 3.29Å; L352-K356 PolarHBondContact O-N 2.91Å
353	K	98.9	Very high	98.9	Very high	111 Å²	111	43.4 Å²	43.4	48%	0.483	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-45.8	175.9	-69.4	179.3	-173.7	-177.2	0	111.5	A349 Q350 K356 A357 E435	A349-K353 WeakPolarHBondContact O-CG 3.45Å; A349-K353 PolarHBondContact O-N 2.58Å; A349-K353 VanDerWaalsContact O-N 3.11Å; Q350-K353 PolarHBondContact O-N 3.27Å; K353-K356 PolarHBondContact O-N 3.35Å; K353-A357 PolarHBondContact O-N 2.93Å; K353-E435 HydrophobicContact CB-CG 4.15Å; K353-E435 VanDerWaalsContact CD-OE1 3.26Å; K353-E435 WeakPolarHBondContact CD-OE1 3.31Å
354	N	98.9	Very high	98.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-42.9	178.1	-73.9	-3.6	0	0	0	112.2	Q350 K356 A357 M358 A425 T429 F433 K434 E435 F438	Q350-N354 PolarHBondContact NE2-OD1 3.43Å; Q350-N354 VanDerWaalsContact O-CB 3.29Å; Q350-N354 WeakPolarHBondContact O-CB 3.48Å; Q350-N354 PolarHBondContact O-N 3.11Å; N354-K356 VanDerWaalsContact C-N 3.31Å; N354-K356 PolarHBondContact O-N 3.01Å; N354-A357 PolarHBondContact O-N 2.81Å; N354-M358 WeakPolarHBondContact O-CB 3.42Å; N354-M358 PolarHBondContact O-N 3.41Å; N354-A425 HydrophobicContact CB-CB 4.01Å; N354-T429 PolarHBondContact ND2-OG1 3.37Å; N354-F433 PolarHBondContact ND2-O 2.83Å; N354-K434 WeakPolarHBondContact OD1-CA 3.4Å; N354-E435 PolarHBondContact OD1-N 3.47Å; N354-F438 HydrophobicContact CB-CD1 4.42Å; N354-F438 HydrophobicContact CB-CD2 3.51Å; N354-F438 HydrophobicContact CB-CE1 4.41Å; N354-F438 HydrophobicContact CB-CE2 3.51Å; N354-F438 HydrophobicContact CB-CG 3.97Å; N354-F438 HydrophobicContact CB-CZ 3.97Å; N354-F438 VanDerWaalsContact CG-CD2 3.46Å; N354-F438 WeakPolarHBondContact ND2-CE2 3.41Å
355	A	98.9	Very high	98.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-39.1	175.1	0	0	0	0	0	112	V351 L352 A359 T374 N376 A425	V351-A355 WeakPolarHBondContact O-CB 3.37Å; V351-A355 PolarHBondContact O-N 3.09Å; L352-A355 PolarHBondContact O-N 3.12Å; A355-A359 WeakPolarHBondContact O-CB 3.35Å; A355-A359 PolarHBondContact O-N 3.01Å; A355-T374 HydrophobicContact CB-CG2 4.16Å; A355-N376 VanDerWaalsContact CB-O 3.31Å; A355-N376 WeakPolarHBondContact CB-O 3.48Å; A355-A425 HydrophobicContact CB-CB 4.2Å
356	K	98.9	Very high	98.8	Very high	123 Å²	123	40 Å²	40	54%	0.535	23%	0.231	S	C	.	.	H	α-helix	trans	-68.1	-41.3	174.2	-73.2	179.5	177.9	-176.6	0	112.8	L352 K353 N354 A359 A360	L352-K356 WeakPolarHBondContact O-CG 3.29Å; L352-K356 PolarHBondContact O-N 2.91Å; K353-K356 PolarHBondContact O-N 3.35Å; N354-K356 VanDerWaalsContact C-N 3.31Å; N354-K356 PolarHBondContact O-N 3.01Å; K356-A359 PolarHBondContact O-N 2.86Å; K356-A360 WeakPolarHBondContact O-CB 3.43Å; K356-A360 PolarHBondContact O-N 3.33Å
357	A	98.9	Very high	98.8	Very high	17 Å²	17	34.3 Å²	34.3	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-45.9	175.2	0	0	0	0	0	111.2	K353 N354 A359 A360 A361 E435	K353-A357 PolarHBondContact O-N 2.93Å; N354-A357 PolarHBondContact O-N 2.81Å; A357-A359 PolarHBondContact O-N 2.69Å; A357-A360 PolarHBondContact O-N 2.96Å; A357-A361 WeakPolarHBondContact O-CB 3.45Å; A357-A361 PolarHBondContact O-N 2.8Å; A357-E435 HydrophobicContact CB-CB 3.84Å; A357-E435 HydrophobicContact CB-CG 4.08Å
358	M	98.9	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.6	-46.5	173.6	-176.3	171.3	60.8	0	0	111.8	N354 A361 L362 V379 L423 F438 V442	N354-M358 WeakPolarHBondContact O-CB 3.42Å; N354-M358 PolarHBondContact O-N 3.41Å; M358-A361 PolarHBondContact O-N 2.8Å; M358-L362 HydrophobicContact CG-CD1 3.96Å; M358-L362 WeakPolarHBondContact O-CB 3.36Å; M358-L362 WeakPolarHBondContact O-CD1 3.34Å; M358-L362 VanDerWaalsContact O-CG 3.29Å; M358-L362 WeakPolarHBondContact O-CG 3.47Å; M358-L362 PolarHBondContact O-N 3.33Å; M358-V379 HydrophobicContact CE-CB 4.13Å; M358-V379 HydrophobicContact CE-CG2 3.82Å; M358-L423 HydrophobicContact CE-CB 3.78Å; M358-L423 HydrophobicContact SD-CB 3.92Å; M358-L423 HydrophobicContact SD-CD1 4.22Å; M358-F438 HydrophobicContact CB-CD1 3.97Å; M358-F438 HydrophobicContact CG-CD1 4.41Å; M358-F438 HydrophobicContact SD-CD1 4.05Å; M358-F438 HydrophobicContact SD-CE1 4.25Å; M358-V442 HydrophobicContact CB-CG2 4.42Å; M358-V442 HydrophobicContact CG-CG2 3.75Å
359	A	98.9	Very high	98.7	Very high	6 Å²	6	36.6 Å²	36.6	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-45.8	176.8	0	0	0	0	0	112.1	A355 K356 A357 L362 L363 L369 T374 V379	A355-A359 WeakPolarHBondContact O-CB 3.35Å; A355-A359 PolarHBondContact O-N 3.01Å; K356-A359 PolarHBondContact O-N 2.86Å; A357-A359 PolarHBondContact O-N 2.69Å; A359-L362 PolarHBondContact O-N 2.8Å; A359-L363 VanDerWaalsContact O-CG 3.32Å; A359-L363 WeakPolarHBondContact O-CG 3.45Å; A359-L363 PolarHBondContact O-N 2.92Å; A359-L369 HydrophobicContact CB-CD1 3.72Å; A359-T374 HydrophobicContact CB-CG2 4.17Å; A359-V379 HydrophobicContact CB-CG2 3.91Å
360	A	98.9	Very high	98.6	Very high	58 Å²	58	35.2 Å²	35.2	48%	0.479	21%	0.206	S	C	.	.	H	α-helix	trans	-63.2	-44	179.2	0	0	0	0	0	112.2	K356 A357 L363 S364	K356-A360 WeakPolarHBondContact O-CB 3.43Å; K356-A360 PolarHBondContact O-N 3.33Å; A357-A360 PolarHBondContact O-N 2.96Å; A360-L363 PolarHBondContact O-N 3.05Å; A360-S364 PolarHBondContact O-N 2.76Å
361	A	98.9	Very high	98.6	Very high	8 Å²	8	35.5 Å²	35.5	7%	0.066	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-36.4	177.4	0	0	0	0	0	112.7	A357 M358 S364 K365 V439 V442	A357-A361 WeakPolarHBondContact O-CB 3.45Å; A357-A361 PolarHBondContact O-N 2.8Å; M358-A361 PolarHBondContact O-N 2.8Å; A361-S364 PolarHBondContact O-OG 2.66Å; A361-K365 WeakPolarHBondContact O-CG 3.49Å; A361-K365 PolarHBondContact O-N 3.32Å; A361-V439 HydrophobicContact CB-CG1 4.45Å; A361-V439 HydrophobicContact CB-CG2 4.32Å; A361-V442 HydrophobicContact CB-CB 3.94Å; A361-V442 HydrophobicContact CB-CG1 3.82Å; A361-V442 HydrophobicContact CB-CG2 4.07Å
362	L	98.8	Very high	98.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-44.1	173.7	-75	162.5	0	0	0	111.3	M358 A359 K365 G366 Y367 L369 V379 V381 L423 V442	M358-L362 HydrophobicContact CG-CD1 3.96Å; M358-L362 WeakPolarHBondContact O-CB 3.36Å; M358-L362 WeakPolarHBondContact O-CD1 3.34Å; M358-L362 VanDerWaalsContact O-CG 3.29Å; M358-L362 WeakPolarHBondContact O-CG 3.47Å; M358-L362 PolarHBondContact O-N 3.33Å; A359-L362 PolarHBondContact O-N 2.8Å; L362-K365 PolarHBondContact O-N 2.97Å; L362-G366 PolarHBondContact O-N 3.23Å; L362-Y367 HydrophobicContact CD2-CD2 4.01Å; L362-Y367 HydrophobicContact CD2-CG 4.3Å; L362-Y367 WeakPolarHBondContact O-CB 3.36Å; L362-Y367 WeakPolarHBondContact O-CD2 3.41Å; L362-Y367 PolarHBondContact O-N 2.85Å; L362-L369 HydrophobicContact CB-CD2 4.21Å; L362-L369 HydrophobicContact CD1-CD2 4.26Å; L362-V379 HydrophobicContact CD1-CG1 4.22Å; L362-V381 HydrophobicContact CD1-CG2 3.77Å; L362-V381 HydrophobicContact CD2-CG2 4.42Å; L362-L423 HydrophobicContact CD1-CD1 3.91Å; L362-V442 HydrophobicContact CD2-CG1 3.92Å; L362-V442 HydrophobicContact CD2-CG2 4.38Å; L362-V442 HydrophobicContact CG-CG1 3.99Å; L362-V442 HydrophobicContact CG-CG2 3.98Å
363	L	98.8	Very high	98.5	Very high	80 Å²	80	36.8 Å²	36.8	42%	0.419	23%	0.231	S	C	.	.	H	α-helix	trans	-63.8	-41.3	177.4	-71.9	169.4	0	0	0	112	A359 A360 K365 G366 L369	A359-L363 VanDerWaalsContact O-CG 3.32Å; A359-L363 WeakPolarHBondContact O-CG 3.45Å; A359-L363 PolarHBondContact O-N 2.92Å; A360-L363 PolarHBondContact O-N 3.05Å; L363-K365 PolarHBondContact O-N 3.3Å; L363-G366 WeakPolarHBondContact O-CA 3.3Å; L363-G366 PolarHBondContact O-N 3.23Å; L363-L369 HydrophobicContact CD1-CD1 4.05Å; L363-L369 HydrophobicContact CD2-CD1 4.12Å; L363-L369 HydrophobicContact CD2-CG 3.94Å; L363-L369 HydrophobicContact CG-CD1 3.8Å; L363-L369 HydrophobicContact CG-CG 4.12Å
364	S	98.6	Very high	98.5	Very high	100 Å²	100	32 Å²	32	70%	0.699	21%	0.211	S	C	*	.	H	α-helix	trans	-64.7	-24.5	178.6	68.7	0	0	0	0	113	A360 A361 G366	A360-S364 PolarHBondContact O-N 2.76Å; A361-S364 PolarHBondContact O-OG 2.66Å; S364-G366 VanDerWaalsContact C-N 3.28Å
365	K	98.1	Very high	98.5	Very high	43 Å²	43	35.1 Å²	35.1	19%	0.187	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.4	171.3	-68.6	179.8	173.5	-68.3	0	113.9	A361 L362 L363 Y367 K386 V442 E443 D446	A361-K365 WeakPolarHBondContact O-CG 3.49Å; A361-K365 PolarHBondContact O-N 3.32Å; L362-K365 PolarHBondContact O-N 2.97Å; L363-K365 PolarHBondContact O-N 3.3Å; K365-Y367 HydrophobicContact CB-CD2 3.79Å; K365-Y367 HydrophobicContact CB-CE2 3.8Å; K365-Y367 HydrophobicContact CD-CE2 4.4Å; K365-K386 PolarHBondContact O-NZ 3.46Å; K365-V442 HydrophobicContact CD-CG1 3.9Å; K365-E443 WeakPolarHBondContact CE-OE1 3.32Å; K365-E443 WeakPolarHBondContact CE-OE2 3.25Å; K365-E443 IonicContact NZ-OE1 3.36Å; K365-E443 PolarHBondContact NZ-OE1 3.44Å; K365-E443 IonicContact NZ-OE2 3.25Å; K365-E443 PolarHBondContact NZ-OE2 3.43Å; K365-D446 HydrophobicContact CD-CB 3.64Å; K365-D446 IonicContact NZ-OD2 3.75Å; K365-D446 PolarHBondContact NZ-OD2 2.91Å
366	G	97.9	Very high	98.5	Very high	45 Å²	45	35.3 Å²	35.3	46%	0.464	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	25.2	177.6	0	0	0	0	0	114.1	L362 L363 S364 K386	L362-G366 PolarHBondContact O-N 3.23Å; L363-G366 WeakPolarHBondContact O-CA 3.3Å; L363-G366 PolarHBondContact O-N 3.23Å; S364-G366 VanDerWaalsContact C-N 3.28Å; G366-K386 WeakPolarHBondContact O-CE 3.28Å; G366-K386 PolarHBondContact O-NZ 3.3Å
367	Y	98.4	Very high	98.5	Very high	14 Å²	14	29.5 Å²	29.5	6%	0.055	20%	0.204	C	C	.	.			trans	-77.2	152.4	166.3	-68.3	-81.9	0	0	0	110.5	L362 K365 V381 L383 K386 D446 F449	L362-Y367 HydrophobicContact CD2-CD2 4.01Å; L362-Y367 HydrophobicContact CD2-CG 4.3Å; L362-Y367 WeakPolarHBondContact O-CB 3.36Å; L362-Y367 WeakPolarHBondContact O-CD2 3.41Å; L362-Y367 PolarHBondContact O-N 2.85Å; K365-Y367 HydrophobicContact CB-CD2 3.79Å; K365-Y367 HydrophobicContact CB-CE2 3.8Å; K365-Y367 HydrophobicContact CD-CE2 4.4Å; Y367-V381 HydrophobicContact CD1-CG1 4.16Å; Y367-V381 HydrophobicContact CG-CG1 4.39Å; Y367-L383 HydrophobicContact CD1-CD2 3.84Å; Y367-L383 HydrophobicContact CE1-CD2 3.89Å; Y367-K386 HydrophobicContact CD1-CG 3.9Å; Y367-K386 HydrophobicContact CE1-CD 4.42Å; Y367-K386 HydrophobicContact CE1-CG 3.83Å; Y367-D446 HydrophobicContact CE2-CB 4.47Å; Y367-D446 PolarHBondContact OH-OD1 3.47Å; Y367-F449 AromaticContact CE1-CD2 3.61Å; Y367-F449 HydrophobicContact CE1-CD2 3.61Å; Y367-F449 HydrophobicContact CE1-CE2 4.08Å; Y367-F449 HydrophobicContact CE1-CG 4.39Å; Y367-F449 HydrophobicContact CE2-CD2 4.3Å; Y367-F449 AromaticContact CZ-CD2 3.46Å; Y367-F449 VanDerWaalsContact CZ-CD2 3.46Å; Y367-F449 WeakPolarHBondContact OH-CB 3.39Å; Y367-F449 VanDerWaalsContact OH-CD2 3.26Å; Y367-F449 WeakPolarHBondContact OH-CD2 3.24Å
368	T	98	Very high	98.4	Very high	60 Å²	60	28.8 Å²	28.8	37%	0.368	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.9	176.1	-60.4	0	0	0	0	109.4	D382	T368-D382 HydrophobicContact CG2-CB 4.24Å; T368-D382 PolarHBondContact O-N 2.92Å
369	L	98.4	Very high	98.4	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.9	175.5	-55.6	-174.1	0	0	0	109.5	A359 L362 L363 S371 G372 V379 L380 V381	A359-L369 HydrophobicContact CB-CD1 3.72Å; L362-L369 HydrophobicContact CB-CD2 4.21Å; L362-L369 HydrophobicContact CD1-CD2 4.26Å; L363-L369 HydrophobicContact CD1-CD1 4.05Å; L363-L369 HydrophobicContact CD2-CD1 4.12Å; L363-L369 HydrophobicContact CD2-CG 3.94Å; L363-L369 HydrophobicContact CG-CD1 3.8Å; L363-L369 HydrophobicContact CG-CG 4.12Å; L369-S371 PolarHBondContact O-N 3.23Å; L369-G372 WeakPolarHBondContact O-CA 3.4Å; L369-G372 PolarHBondContact O-N 3.34Å; L369-V379 HydrophobicContact CD1-CG1 3.82Å; L369-V379 HydrophobicContact CD2-CG1 3.47Å; L369-V379 VanDerWaalsContact CD2-CG1 3.47Å; L369-V379 HydrophobicContact CG-CG1 4.15Å; L369-L380 CarbonylContact C-O 3.48Å; L369-L380 VanDerWaalsContact CA-O 3.31Å; L369-L380 WeakPolarHBondContact CA-O 3.36Å; L369-V381 HydrophobicContact CD2-CB 4.38Å; L369-V381 HydrophobicContact CD2-CG1 4.45Å; L369-V381 HydrophobicContact CD2-CG2 3.9Å
370	V	97.4	Very high	98.4	Very high	15 Å²	15	29 Å²	29	9%	0.091	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.8	133	171.6	-178.7	0	0	0	0	108.2	G372 L380 D382 C409 P410	V370-G372 PolarHBondContact O-N 3.49Å; V370-L380 HydrophobicContact CB-CB 3.87Å; V370-L380 HydrophobicContact CB-CD1 4.34Å; V370-L380 HydrophobicContact CG2-CB 3.99Å; V370-L380 PolarHBondContact N-O 3.44Å; V370-D382 HydrophobicContact CG2-CB 4.46Å; V370-C409 HydrophobicContact CG2-CB 4.36Å; V370-P410 HydrophobicContact CG1-CG 3.96Å
371	S	97.3	Very high	98.4	Very high	26 Å²	26	26.2 Å²	26.2	18%	0.182	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	62.9	9.1	-170.7	80.5	0	0	0	0	116	T199 R228 L369 G373	T199-S371 VanDerWaalsContact O-CA 3.29Å; T199-S371 WeakPolarHBondContact O-CA 3.42Å; R228-S371 WeakPolarHBondContact CG-OG 3.38Å; R228-S371 PolarHBondContact NE-OG 3.46Å; R228-S371 PolarHBondContact NH2-O 3.47Å; L369-S371 PolarHBondContact O-N 3.23Å; S371-G373 VanDerWaalsContact C-N 3.32Å; S371-G373 PolarHBondContact O-N 2.9Å
372	G	97.9	Very high	98.3	Very high	48 Å²	48	26.6 Å²	26.6	50%	0.495	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	78	1.2	173.3	0	0	0	0	0	116.3	L369 V370	L369-G372 WeakPolarHBondContact O-CA 3.4Å; L369-G372 PolarHBondContact O-N 3.34Å; V370-G372 PolarHBondContact O-N 3.49Å
373	G	98.3	Very high	98.2	Very high	9 Å²	9	26.6 Å²	26.6	9%	0.093	18%	0.176	C	C	.	.	S	Bend	trans	167.3	-154.3	-176.7	0	0	0	0	0	112.7	A227 S371	A227-G373 WeakPolarHBondContact CB-O 3.38Å; S371-G373 VanDerWaalsContact C-N 3.32Å; S371-G373 PolarHBondContact O-N 2.9Å
374	T	98.8	Very high	98	Very high	10 Å²	10	27.2 Å²	27.2	6%	0.061	17%	0.173	C	C	.	.			trans	-146.6	145.7	179.2	-174.7	0	0	0	0	112.9	A227 A355 A359 N376 L378 V379	A227-T374 CarbonylContact O-C 3.49Å; A227-T374 WeakPolarHBondContact O-CA 3.26Å; A227-T374 PolarHBondContact O-OG1 2.85Å; A355-T374 HydrophobicContact CB-CG2 4.16Å; A359-T374 HydrophobicContact CB-CG2 4.17Å; T374-N376 PolarHBondContact OG1-N 3.41Å; T374-N376 VanDerWaalsContact OG1-N 3.11Å; T374-N376 PolarHBondContact OG1-O 3.33Å; T374-N376 PolarHBondContact OG1-OD1 3.04Å; T374-L378 WeakPolarHBondContact CB-O 3.48Å; T374-L378 PolarHBondContact OG1-O 2.91Å; T374-V379 HydrophobicContact CG2-CG2 3.83Å
375	D	98.8	Very high	97.9	Very high	66 Å²	66	26.6 Å²	26.6	35%	0.353	17%	0.166	S	C	.	.	S	Bend	trans	-115.1	6.7	169.7	-59.8	-47.2	0	0	0	112.1	A227 R228 L229	A227-D375 PolarHBondContact O-N 2.64Å; R228-D375 WeakPolarHBondContact CD-OD2 3.22Å; R228-D375 IonicContact CZ-OD2 2.86Å; R228-D375 IonicContact NE-OD2 2.85Å; R228-D375 IonicContact NH1-OD1 3.41Å; R228-D375 PolarHBondContact NH1-OD1 3.04Å; R228-D375 VanDerWaalsContact NH1-OD1 3.13Å; R228-D375 IonicContact NH1-OD2 2.93Å; R228-D375 PolarHBondContact NH1-OD2 3.22Å; L229-D375 HydrophobicContact CD1-CB 4.29Å; L229-D375 HydrophobicContact CG-CB 3.94Å
376	N	98.8	Very high	97.8	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.027	17%	0.173	C	C	.	.	S	Bend	trans	-137.5	-154.5	-178.4	68.1	27.4	0	0	0	111.7	Y226 L256 A355 T374 L378	Y226-N376 PolarHBondContact O-ND2 2.91Å; L256-N376 HydrophobicContact CD2-CB 4.08Å; A355-N376 VanDerWaalsContact CB-O 3.31Å; A355-N376 WeakPolarHBondContact CB-O 3.48Å; T374-N376 PolarHBondContact OG1-N 3.41Å; T374-N376 VanDerWaalsContact OG1-N 3.11Å; T374-N376 PolarHBondContact OG1-O 3.33Å; T374-N376 PolarHBondContact OG1-OD1 3.04Å; N376-L378 WeakPolarHBondContact OD1-CG 3.34Å; N376-L378 PolarHBondContact OD1-N 3.17Å; N376-L378 PolarHBondContact OD1-O 3.27Å
377	H	98.8	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-85.8	-3	-172.4	70.4	-70.3	0	0	0	115	A73 H252 L256 V351 G424 A425 P426	A73-H377 PolarHBondContact O-CD2 2.99Å; A73-H377 PolarHBondContact O-NE2 2.94Å; H252-H377 AromaticContact ND1-CE1 3.68Å; H252-H377 AromaticContact ND1-NE2 3.45Å; H252-H377 PolarHBondContact ND1-NE2 3.3Å; H252-H377 PolarHBondContact O-CE1 3.48Å; H252-H377 VanDerWaalsContact O-CE1 3.26Å; L256-H377 HydrophobicContact CD1-CB 4.3Å; L256-H377 HydrophobicContact CD2-CB 4.35Å; V351-H377 HydrophobicContact CG1-CB 3.5Å; V351-H377 VanDerWaalsContact CG1-CB 3.5Å; H377-G424 VanDerWaalsContact O-CA 3.32Å; H377-G424 WeakPolarHBondContact O-CA 3Å; H377-A425 PolarHBondContact O-N 2.98Å; H377-P426 HydrophobicContact CB-CG 3.97Å; H377-P426 VanDerWaalsContact CD2-CG 3.45Å; H377-P426 WeakPolarHBondContact CD2-CG 3.24Å
378	L	98.8	Very high	97.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.3	-174.5	72.9	78.3	0	0	0	113.2	A73 A227 T374 N376 L380 L423	A73-L378 HydrophobicContact CB-CB 3.78Å; A73-L378 HydrophobicContact CB-CD2 4.19Å; A227-L378 HydrophobicContact CB-CD1 3.98Å; T374-L378 WeakPolarHBondContact CB-O 3.48Å; T374-L378 PolarHBondContact OG1-O 2.91Å; N376-L378 WeakPolarHBondContact OD1-CG 3.34Å; N376-L378 PolarHBondContact OD1-N 3.17Å; N376-L378 PolarHBondContact OD1-O 3.27Å; L378-L380 HydrophobicContact CD1-CD2 4.34Å; L378-L380 HydrophobicContact CD1-CG 4.06Å; L378-L423 CarbonylContact C-O 3.47Å; L378-L423 WeakPolarHBondContact CA-O 3.39Å; L378-L423 VanDerWaalsContact CB-O 3.29Å; L378-L423 WeakPolarHBondContact CB-O 3.46Å
379	V	98.6	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.2	173.3	179	0	0	0	0	108.7	M358 A359 L362 L369 T374 V381 L423	M358-V379 HydrophobicContact CE-CB 4.13Å; M358-V379 HydrophobicContact CE-CG2 3.82Å; A359-V379 HydrophobicContact CB-CG2 3.91Å; L362-V379 HydrophobicContact CD1-CG1 4.22Å; L369-V379 HydrophobicContact CD1-CG1 3.82Å; L369-V379 HydrophobicContact CD2-CG1 3.47Å; L369-V379 VanDerWaalsContact CD2-CG1 3.47Å; L369-V379 HydrophobicContact CG-CG1 4.15Å; T374-V379 HydrophobicContact CG2-CG2 3.83Å; V379-V381 HydrophobicContact CG1-CG2 4.29Å; V379-L423 PolarHBondContact N-O 3.33Å; V379-L423 PolarHBondContact O-N 2.95Å
380	L	98.4	Very high	97	Very high	11 Å²	11	25.1 Å²	25.1	6%	0.058	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.6	173.4	-66.2	177.8	0	0	0	109.5	A225 L369 V370 L378 R422	A225-L380 HydrophobicContact CB-CD2 4.05Å; A225-L380 WeakPolarHBondContact O-CD1 3.49Å; L369-L380 CarbonylContact C-O 3.48Å; L369-L380 VanDerWaalsContact CA-O 3.31Å; L369-L380 WeakPolarHBondContact CA-O 3.36Å; V370-L380 HydrophobicContact CB-CB 3.87Å; V370-L380 HydrophobicContact CB-CD1 4.34Å; V370-L380 HydrophobicContact CG2-CB 3.99Å; V370-L380 PolarHBondContact N-O 3.44Å; L378-L380 HydrophobicContact CD1-CD2 4.34Å; L378-L380 HydrophobicContact CD1-CG 4.06Å; L380-R422 HydrophobicContact CD2-CB 3.61Å; L380-R422 HydrophobicContact CD2-CG 3.62Å
381	V	98.3	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.1	178.9	-170	0	0	0	0	109	L362 Y367 L369 V379 L383 G420 L421 L423	L362-V381 HydrophobicContact CD1-CG2 3.77Å; L362-V381 HydrophobicContact CD2-CG2 4.42Å; Y367-V381 HydrophobicContact CD1-CG1 4.16Å; Y367-V381 HydrophobicContact CG-CG1 4.39Å; L369-V381 HydrophobicContact CD2-CB 4.38Å; L369-V381 HydrophobicContact CD2-CG1 4.45Å; L369-V381 HydrophobicContact CD2-CG2 3.9Å; V379-V381 HydrophobicContact CG1-CG2 4.29Å; V381-L383 HydrophobicContact CG1-CD2 3.73Å; V381-L383 HydrophobicContact CG1-CG 4.24Å; V381-G420 CarbonylContact O-C 3.21Å; V381-G420 WeakPolarHBondContact O-CA 3.35Å; V381-L421 PolarHBondContact N-O 2.97Å; V381-L421 PolarHBondContact O-N 3.35Å; V381-L423 HydrophobicContact CG2-CD1 3.64Å; V381-L423 HydrophobicContact CG2-CG 4.43Å
382	D	97.1	Very high	96.8	Very high	16 Å²	16	24.7 Å²	24.7	9%	0.086	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.6	166.8	-176.5	-2.7	0	0	0	108.9	T368 V370 R384 P385	T368-D382 HydrophobicContact CG2-CB 4.24Å; T368-D382 PolarHBondContact O-N 2.92Å; V370-D382 HydrophobicContact CG2-CB 4.46Å; D382-R384 VanDerWaalsContact CG-NE 3.33Å; D382-R384 VanDerWaalsContact OD1-CB 3.28Å; D382-R384 WeakPolarHBondContact OD1-CB 3.5Å; D382-R384 VanDerWaalsContact OD1-CG 3.25Å; D382-R384 WeakPolarHBondContact OD1-CG 3.32Å; D382-R384 IonicContact OD1-CZ 2.9Å; D382-R384 PolarHBondContact OD1-N 2.83Å; D382-R384 IonicContact OD1-NE 3.92Å; D382-R384 PolarHBondContact OD1-NE 3.37Å; D382-R384 IonicContact OD1-NH2 3.5Å; D382-R384 IonicContact OD2-CZ 3.38Å; D382-R384 VanDerWaalsContact OD2-CZ 3.31Å; D382-R384 IonicContact OD2-NE 2.76Å; D382-R384 PolarHBondContact OD2-NE 2.68Å; D382-R384 VanDerWaalsContact OD2-NE 3.13Å; D382-R384 IonicContact OD2-NH2 3.28Å; D382-R384 PolarHBondContact OD2-NH2 3.48Å; D382-P385 WeakPolarHBondContact OD1-CD 3.31Å
383	L	97	Very high	96.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.			trans	-93.2	-8.7	-177	-65.1	175.3	0	0	0	113	Y367 V381 P385 K386 G387 I388 A393 G419 L421 F449	Y367-L383 HydrophobicContact CD1-CD2 3.84Å; Y367-L383 HydrophobicContact CE1-CD2 3.89Å; V381-L383 HydrophobicContact CG1-CD2 3.73Å; V381-L383 HydrophobicContact CG1-CG 4.24Å; L383-P385 VanDerWaalsContact C-CD 3.5Å; L383-K386 WeakPolarHBondContact O-CA 3.4Å; L383-K386 WeakPolarHBondContact O-CB 3.39Å; L383-K386 PolarHBondContact O-N 3.43Å; L383-G387 PolarHBondContact O-N 3.4Å; L383-I388 CarbonylContact C-O 3.51Å; L383-I388 HydrophobicContact CB-CG2 3.78Å; L383-I388 VanDerWaalsContact CB-O 3.23Å; L383-I388 WeakPolarHBondContact CB-O 3.37Å; L383-I388 HydrophobicContact CD1-CG2 4.28Å; L383-I388 HydrophobicContact CD2-CG2 4.35Å; L383-I388 HydrophobicContact CG-CG2 4.38Å; L383-I388 PolarHBondContact O-N 3.17Å; L383-I388 VanDerWaalsContact O-O 3.11Å; L383-A393 HydrophobicContact CD1-CB 3.56Å; L383-G419 WeakPolarHBondContact CB-O 3.37Å; L383-G419 PolarHBondContact N-O 3.31Å; L383-L421 HydrophobicContact CD1-CB 4.33Å; L383-L421 HydrophobicContact CD1-CD1 3.54Å; L383-L421 HydrophobicContact CD1-CG 4.49Å; L383-F449 HydrophobicContact CD1-CE1 4.44Å; L383-F449 HydrophobicContact CD2-CE2 4.31Å; L383-F449 HydrophobicContact CD2-CZ 4.34Å
384	R	94.8	Very high	96.7	Very high	94 Å²	94	23.9 Å²	23.9	36%	0.355	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-57.4	-41.1	-178.6	-58	171.1	-66.5	-172.7	9.3	112.5	D382 K386 G387 P410 D412	D382-R384 VanDerWaalsContact CG-NE 3.33Å; D382-R384 VanDerWaalsContact OD1-CB 3.28Å; D382-R384 WeakPolarHBondContact OD1-CB 3.5Å; D382-R384 VanDerWaalsContact OD1-CG 3.25Å; D382-R384 WeakPolarHBondContact OD1-CG 3.32Å; D382-R384 IonicContact OD1-CZ 2.9Å; D382-R384 PolarHBondContact OD1-N 2.83Å; D382-R384 IonicContact OD1-NE 3.92Å; D382-R384 PolarHBondContact OD1-NE 3.37Å; D382-R384 IonicContact OD1-NH2 3.5Å; D382-R384 IonicContact OD2-CZ 3.38Å; D382-R384 VanDerWaalsContact OD2-CZ 3.31Å; D382-R384 IonicContact OD2-NE 2.76Å; D382-R384 PolarHBondContact OD2-NE 2.68Å; D382-R384 VanDerWaalsContact OD2-NE 3.13Å; D382-R384 IonicContact OD2-NH2 3.28Å; D382-R384 PolarHBondContact OD2-NH2 3.48Å; R384-K386 PolarHBondContact O-N 2.94Å; R384-G387 PolarHBondContact O-N 3.33Å; R384-P410 PolarHBondContact NH1-O 2.68Å; R384-P410 PolarHBondContact NH2-O 2.76Å; R384-D412 WeakPolarHBondContact CD-OD1 3.17Å; R384-D412 IonicContact CZ-OD1 2.73Å; R384-D412 IonicContact NE-OD1 2.91Å; R384-D412 IonicContact NH1-OD1 2.88Å; R384-D412 PolarHBondContact NH1-OD1 3.24Å
385	P	95.9	Very high	96.7	Very high	86 Å²	86	26 Å²	26	56%	0.558	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-62.5	-24	175.8	-25.3	37.5	0	0	0	114.2	D382 L383 G387	D382-P385 WeakPolarHBondContact OD1-CD 3.31Å; L383-P385 VanDerWaalsContact C-CD 3.5Å; P385-G387 VanDerWaalsContact C-N 3.31Å
386	K	95.6	Very high	96.7	Very high	79 Å²	79	22.9 Å²	22.9	34%	0.343	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-88.3	2.3	174	-65.5	-69.2	-162.6	-177.3	0	112.8	K365 G366 Y367 L383 R384 I388	K365-K386 PolarHBondContact O-NZ 3.46Å; G366-K386 WeakPolarHBondContact O-CE 3.28Å; G366-K386 PolarHBondContact O-NZ 3.3Å; Y367-K386 HydrophobicContact CD1-CG 3.9Å; Y367-K386 HydrophobicContact CE1-CD 4.42Å; Y367-K386 HydrophobicContact CE1-CG 3.83Å; L383-K386 WeakPolarHBondContact O-CA 3.4Å; L383-K386 WeakPolarHBondContact O-CB 3.39Å; L383-K386 PolarHBondContact O-N 3.43Å; R384-K386 PolarHBondContact O-N 2.94Å; K386-I388 VanDerWaalsContact C-N 3.32Å; K386-I388 HydrophobicContact CB-CG2 4.33Å; K386-I388 PolarHBondContact O-N 2.81Å
387	G	93.9	Very high	96.6	Very high	38 Å²	38	22.7 Å²	22.7	39%	0.392	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	22.9	178.5	0	0	0	0	0	114	L383 R384 P385 K456	L383-G387 PolarHBondContact O-N 3.4Å; R384-G387 PolarHBondContact O-N 3.33Å; P385-G387 VanDerWaalsContact C-N 3.31Å; G387-K456 WeakPolarHBondContact O-CD 3.32Å; G387-K456 WeakPolarHBondContact O-CE 3.29Å; G387-K456 PolarHBondContact O-NZ 3.32Å
388	I	93	Very high	96.6	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	14%	0.141	C	C	.	.			trans	-126.9	147.4	176.1	-171.9	171.5	0	0	0	111	L383 K386 R392 A393 A452	L383-I388 CarbonylContact C-O 3.51Å; L383-I388 HydrophobicContact CB-CG2 3.78Å; L383-I388 VanDerWaalsContact CB-O 3.23Å; L383-I388 WeakPolarHBondContact CB-O 3.37Å; L383-I388 HydrophobicContact CD1-CG2 4.28Å; L383-I388 HydrophobicContact CD2-CG2 4.35Å; L383-I388 HydrophobicContact CG-CG2 4.38Å; L383-I388 PolarHBondContact O-N 3.17Å; L383-I388 VanDerWaalsContact O-O 3.11Å; K386-I388 VanDerWaalsContact C-N 3.32Å; K386-I388 HydrophobicContact CB-CG2 4.33Å; K386-I388 PolarHBondContact O-N 2.81Å; I388-R392 HydrophobicContact CD1-CB 4.3Å; I388-R392 HydrophobicContact CG1-CB 4.17Å; I388-A393 HydrophobicContact CD1-CB 4.07Å; I388-A393 HydrophobicContact CG1-CB 4.46Å; I388-A452 HydrophobicContact CD1-CB 3.22Å
389	D	94.2	Very high	96.6	Very high	16 Å²	16	28.9 Å²	28.9	9%	0.086	15%	0.148	C	C	.	.			trans	-98.4	158.2	175	62.3	92.7	0	0	0	111.8	A391 R392 A393 T417	D389-A391 VanDerWaalsContact C-N 3.27Å; D389-A391 PolarHBondContact O-N 3.36Å; D389-A391 WeakPolarHBondContact OD1-CB 3.31Å; D389-A391 PolarHBondContact OD1-N 3.22Å; D389-R392 PolarHBondContact O-N 3.5Å; D389-R392 PolarHBondContact OD1-N 3.43Å; D389-R392 IonicContact OD1-NH1 3.16Å; D389-R392 WeakPolarHBondContact OD2-CD 3.46Å; D389-R392 WeakPolarHBondContact OD2-CG 3.44Å; D389-R392 IonicContact OD2-CZ 3.98Å; D389-R392 IonicContact OD2-NE 3.42Å; D389-R392 IonicContact OD2-NH1 2.77Å; D389-R392 PolarHBondContact OD2-NH1 3.49Å; D389-A393 PolarHBondContact O-N 2.97Å; D389-A393 VanDerWaalsContact O-N 3.17Å; D389-T417 HydrophobicContact CB-CG2 4.21Å
390	G	95.1	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-31.2	-177.4	0	0	0	0	0	113.7	E394 P418 G420	G390-E394 WeakPolarHBondContact O-CB 3.27Å; G390-E394 PolarHBondContact O-N 3.31Å; G390-P418 PolarHBondContact N-O 2.92Å; G390-G420 WeakPolarHBondContact CA-O 3.42Å
391	A	94.3	Very high	96.6	Very high	10 Å²	10	29 Å²	29	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-70.5	-38.8	-178.6	0	0	0	0	0	112.5	D389 R395 K406 L462	D389-A391 VanDerWaalsContact C-N 3.27Å; D389-A391 PolarHBondContact O-N 3.36Å; D389-A391 WeakPolarHBondContact OD1-CB 3.31Å; D389-A391 PolarHBondContact OD1-N 3.22Å; A391-R395 PolarHBondContact O-N 3.5Å; A391-K406 HydrophobicContact CB-CD 3.98Å; A391-L462 HydrophobicContact CB-CD1 4.34Å; A391-L462 HydrophobicContact CB-CD2 4.16Å
392	R	96.2	Very high	96.7	Very high	22 Å²	22	29 Å²	29	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-68.6	-45.2	173.3	-73.7	-173.4	172.5	81.5	-1.5	112	I388 D389 R395 V396 A460 L462 F465	I388-R392 HydrophobicContact CD1-CB 4.3Å; I388-R392 HydrophobicContact CG1-CB 4.17Å; D389-R392 PolarHBondContact O-N 3.5Å; D389-R392 PolarHBondContact OD1-N 3.43Å; D389-R392 IonicContact OD1-NH1 3.16Å; D389-R392 WeakPolarHBondContact OD2-CD 3.46Å; D389-R392 WeakPolarHBondContact OD2-CG 3.44Å; D389-R392 IonicContact OD2-CZ 3.98Å; D389-R392 IonicContact OD2-NE 3.42Å; D389-R392 IonicContact OD2-NH1 2.77Å; D389-R392 PolarHBondContact OD2-NH1 3.49Å; R392-R395 PolarHBondContact O-N 3.19Å; R392-V396 PolarHBondContact O-N 2.88Å; R392-A460 PolarHBondContact NH2-O 3.4Å; R392-L462 HydrophobicContact CG-CD1 3.75Å; R392-F465 HydrophobicContact CB-CD1 4.18Å; R392-F465 HydrophobicContact CB-CE1 3.64Å; R392-F465 HydrophobicContact CB-CE2 4.11Å; R392-F465 HydrophobicContact CB-CZ 3.62Å; R392-F465 HydrophobicContact CG-CD1 3.73Å; R392-F465 HydrophobicContact CG-CD2 4.01Å; R392-F465 HydrophobicContact CG-CE1 3.73Å; R392-F465 HydrophobicContact CG-CE2 4.03Å; R392-F465 HydrophobicContact CG-CG 3.88Å; R392-F465 HydrophobicContact CG-CZ 3.9Å
393	A	97.3	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-49.1	179.9	0	0	0	0	0	112	L383 I388 D389 R395 V396 L397 L421 F449	L383-A393 HydrophobicContact CD1-CB 3.56Å; I388-A393 HydrophobicContact CD1-CB 4.07Å; I388-A393 HydrophobicContact CG1-CB 4.46Å; D389-A393 PolarHBondContact O-N 2.97Å; D389-A393 VanDerWaalsContact O-N 3.17Å; A393-R395 VanDerWaalsContact C-N 3.29Å; A393-R395 PolarHBondContact O-N 2.86Å; A393-V396 PolarHBondContact O-N 2.84Å; A393-L397 WeakPolarHBondContact O-CG 3.49Å; A393-L397 PolarHBondContact O-N 2.95Å; A393-L421 HydrophobicContact CB-CD1 3.42Å; A393-L421 VanDerWaalsContact CB-CD1 3.42Å; A393-F449 HydrophobicContact CB-CD1 3.89Å; A393-F449 HydrophobicContact CB-CE1 3.79Å
394	E	97.5	Very high	96.7	Very high	40 Å²	40	30.2 Å²	30.2	19%	0.187	16%	0.159	C	C	.	.	H	α-helix	trans	-53.5	-44.4	176.2	179.3	-169.5	-105.8	0	0	111.8	G390 V396 L397 E398 K406	G390-E394 WeakPolarHBondContact O-CB 3.27Å; G390-E394 PolarHBondContact O-N 3.31Å; E394-V396 PolarHBondContact O-N 3.34Å; E394-L397 PolarHBondContact O-N 3.42Å; E394-E398 WeakPolarHBondContact O-CB 3.27Å; E394-E398 PolarHBondContact O-N 2.76Å; E394-K406 HydrophobicContact CB-CB 4.4Å; E394-K406 VanDerWaalsContact CD-NZ 3.29Å; E394-K406 WeakPolarHBondContact OE1-CG 3.42Å; E394-K406 PolarHBondContact OE1-N 3.36Å; E394-K406 IonicContact OE1-NZ 2.7Å; E394-K406 PolarHBondContact OE1-NZ 2.85Å; E394-K406 VanDerWaalsContact OE1-NZ 3.09Å; E394-K406 IonicContact OE2-NZ 2.58Å; E394-K406 PolarHBondContact OE2-NZ 2.93Å
395	R	97.8	Very high	96.7	Very high	56 Å²	56	27 Å²	27	21%	0.211	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-39.6	-178.6	179.4	57	-180	169.6	2.4	113.1	A391 R392 A393 E398 L399 K466 L469	A391-R395 PolarHBondContact O-N 3.5Å; R392-R395 PolarHBondContact O-N 3.19Å; A393-R395 VanDerWaalsContact C-N 3.29Å; A393-R395 PolarHBondContact O-N 2.86Å; R395-E398 WeakPolarHBondContact CD-OE2 3.38Å; R395-E398 IonicContact CZ-OE2 3.5Å; R395-E398 IonicContact NE-OE2 3.92Å; R395-E398 VanDerWaalsContact NH1-CD 3.3Å; R395-E398 IonicContact NH1-OE1 3.03Å; R395-E398 IonicContact NH1-OE2 3.64Å; R395-E398 PolarHBondContact NH1-OE2 2.75Å; R395-L399 WeakPolarHBondContact O-CG 3.09Å; R395-L399 PolarHBondContact O-N 2.98Å; R395-K466 HydrophobicContact CG-CG 4.28Å; R395-L469 HydrophobicContact CG-CD1 3.72Å
396	V	98.5	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.3	-43.7	177.4	176.8	0	0	0	0	110.4	R392 A393 E394 E398 L399 V400 G448 I451 A452 F465 L469	R392-V396 PolarHBondContact O-N 2.88Å; A393-V396 PolarHBondContact O-N 2.84Å; E394-V396 PolarHBondContact O-N 3.34Å; V396-E398 VanDerWaalsContact C-N 3.31Å; V396-E398 PolarHBondContact O-N 2.82Å; V396-L399 PolarHBondContact O-N 3.16Å; V396-V400 PolarHBondContact O-N 3.41Å; V396-G448 WeakPolarHBondContact CG1-O 3.23Å; V396-I451 HydrophobicContact CG1-CB 4.15Å; V396-I451 HydrophobicContact CG1-CG2 4.01Å; V396-A452 HydrophobicContact CB-CB 4.12Å; V396-A452 HydrophobicContact CG2-CB 3.62Å; V396-F465 HydrophobicContact CG2-CE1 4.14Å; V396-F465 HydrophobicContact CG2-CZ 3.87Å; V396-L469 HydrophobicContact CG2-CD1 3.8Å; V396-L469 HydrophobicContact CG2-CD2 3.63Å; V396-L469 HydrophobicContact CG2-CG 4.39Å
397	L	98.7	Very high	96.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-57.5	-44.4	175.7	-67.7	-177.3	0	0	0	111.7	A393 E394 L399 V400 S401 I402 A404 L421 M445 F449	A393-L397 WeakPolarHBondContact O-CG 3.49Å; A393-L397 PolarHBondContact O-N 2.95Å; E394-L397 PolarHBondContact O-N 3.42Å; L397-L399 VanDerWaalsContact C-N 3.31Å; L397-L399 PolarHBondContact O-N 2.88Å; L397-V400 CarbonylContact O-C 3.41Å; L397-V400 VanDerWaalsContact O-CG2 3.23Å; L397-V400 WeakPolarHBondContact O-CG2 3.45Å; L397-V400 PolarHBondContact O-N 3.48Å; L397-S401 PolarHBondContact O-N 2.86Å; L397-I402 CarbonylContact C-O 3.54Å; L397-I402 HydrophobicContact CB-CB 4.06Å; L397-I402 HydrophobicContact CB-CG2 4.29Å; L397-I402 WeakPolarHBondContact CB-O 3.22Å; L397-I402 HydrophobicContact CD1-CG2 4.44Å; L397-I402 HydrophobicContact CD2-CB 4.29Å; L397-I402 HydrophobicContact CD2-CD1 4.12Å; L397-I402 HydrophobicContact CD2-CG2 4.29Å; L397-I402 PolarHBondContact O-N 3.03Å; L397-A404 HydrophobicContact CD1-CB 4.37Å; L397-L421 HydrophobicContact CD1-CD1 4.37Å; L397-L421 HydrophobicContact CD1-CD2 4.21Å; L397-M445 HydrophobicContact CD1-CE 4.27Å; L397-M445 HydrophobicContact CD2-CB 4.38Å; L397-M445 HydrophobicContact CD2-CG 4.22Å; L397-F449 HydrophobicContact CD1-CE1 3.73Å; L397-F449 HydrophobicContact CD1-CZ 4.16Å; L397-F449 HydrophobicContact CD2-CE1 4.31Å; L397-F449 HydrophobicContact CG-CE1 4.15Å
398	E	98.3	Very high	96.4	Very high	103 Å²	103	23.4 Å²	23.4	48%	0.481	12%	0.117	S	C	.	.	H	α-helix	trans	-57.7	-42.5	177.4	-175.3	-170	-170.7	0	0	112.2	E394 R395 V396 V400 S401 I402	E394-E398 WeakPolarHBondContact O-CB 3.27Å; E394-E398 PolarHBondContact O-N 2.76Å; R395-E398 WeakPolarHBondContact CD-OE2 3.38Å; R395-E398 IonicContact CZ-OE2 3.5Å; R395-E398 IonicContact NE-OE2 3.92Å; R395-E398 VanDerWaalsContact NH1-CD 3.3Å; R395-E398 IonicContact NH1-OE1 3.03Å; R395-E398 IonicContact NH1-OE2 3.64Å; R395-E398 PolarHBondContact NH1-OE2 2.75Å; V396-E398 VanDerWaalsContact C-N 3.31Å; V396-E398 PolarHBondContact O-N 2.82Å; E398-V400 PolarHBondContact O-N 3.42Å; E398-S401 PolarHBondContact O-N 2.87Å; E398-I402 PolarHBondContact N-O 3.05Å
399	L	98.6	Very high	96.2	Very high	28 Å²	28	23.3 Å²	23.3	15%	0.147	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-21.2	179.4	-71.1	176	0	0	0	113.5	R395 V396 L397 L469 L470 I479 R483	R395-L399 WeakPolarHBondContact O-CG 3.09Å; R395-L399 PolarHBondContact O-N 2.98Å; V396-L399 PolarHBondContact O-N 3.16Å; L397-L399 VanDerWaalsContact C-N 3.31Å; L397-L399 PolarHBondContact O-N 2.88Å; L399-L469 HydrophobicContact CD1-CB 3.92Å; L399-L469 HydrophobicContact CD1-CD1 3.94Å; L399-L469 HydrophobicContact CD1-CG 4.49Å; L399-L470 HydrophobicContact CD1-CD2 4.17Å; L399-L470 HydrophobicContact CD2-CD2 4.12Å; L399-I479 HydrophobicContact CB-CG2 3.75Å; L399-I479 HydrophobicContact CD1-CD1 4.04Å; L399-R483 WeakPolarHBondContact O-CD 3.45Å
400	V	98.8	Very high	95.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	19	177.1	-55.7	0	0	0	0	113.2	V396 L397 E398 I402 I479 L482 R483 V486	V396-V400 PolarHBondContact O-N 3.41Å; L397-V400 CarbonylContact O-C 3.41Å; L397-V400 VanDerWaalsContact O-CG2 3.23Å; L397-V400 WeakPolarHBondContact O-CG2 3.45Å; L397-V400 PolarHBondContact O-N 3.48Å; E398-V400 PolarHBondContact O-N 3.42Å; V400-I402 VanDerWaalsContact C-N 3.28Å; V400-I402 HydrophobicContact CG2-CB 4.48Å; V400-I402 HydrophobicContact CG2-CD1 4.08Å; V400-I402 HydrophobicContact CG2-CG1 4.1Å; V400-I402 PolarHBondContact O-N 3.3Å; V400-I479 HydrophobicContact CG1-CB 4.39Å; V400-I479 HydrophobicContact CG1-CG2 3.86Å; V400-L482 HydrophobicContact CB-CD2 4.29Å; V400-L482 HydrophobicContact CB-CG 4Å; V400-L482 HydrophobicContact CG1-CB 4.04Å; V400-L482 HydrophobicContact CG1-CD2 3.95Å; V400-L482 HydrophobicContact CG1-CG 3.89Å; V400-L482 HydrophobicContact CG2-CD2 4.16Å; V400-L482 HydrophobicContact CG2-CG 4.26Å; V400-R483 HydrophobicContact CB-CB 4.27Å; V400-R483 HydrophobicContact CG1-CB 4.43Å; V400-V486 WeakPolarHBondContact O-CB 3.5Å; V400-V486 VanDerWaalsContact O-CG1 3.26Å; V400-V486 WeakPolarHBondContact O-CG1 3.2Å
401	S	98.8	Very high	95.2	Very high	14 Å²	14	26.4 Å²	26.4	10%	0.098	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	27.3	178.1	-54.7	0	0	0	0	114	G68 L69 L397 E398 E487	G68-S401 CarbonylContact C-O 3.55Å; G68-S401 VanDerWaalsContact CA-O 3.25Å; G68-S401 WeakPolarHBondContact CA-O 3.49Å; L69-S401 PolarHBondContact N-O 3.43Å; L397-S401 PolarHBondContact O-N 2.86Å; E398-S401 PolarHBondContact O-N 2.87Å; S401-E487 PolarHBondContact OG-OE1 3.22Å
402	I	98.8	Very high	94.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.5	168.5	-57.2	177.6	0	0	0	108	L69 L71 L397 E398 V400 F444 M445 V486	L69-I402 HydrophobicContact CB-CG1 4.16Å; L69-I402 HydrophobicContact CB-CG2 4.49Å; L69-I402 HydrophobicContact CD1-CD1 4.33Å; L69-I402 HydrophobicContact CD1-CG1 4.09Å; L71-I402 HydrophobicContact CD1-CG2 3.73Å; L71-I402 HydrophobicContact CG-CG2 4.44Å; L397-I402 CarbonylContact C-O 3.54Å; L397-I402 HydrophobicContact CB-CB 4.06Å; L397-I402 HydrophobicContact CB-CG2 4.29Å; L397-I402 WeakPolarHBondContact CB-O 3.22Å; L397-I402 HydrophobicContact CD1-CG2 4.44Å; L397-I402 HydrophobicContact CD2-CB 4.29Å; L397-I402 HydrophobicContact CD2-CD1 4.12Å; L397-I402 HydrophobicContact CD2-CG2 4.29Å; L397-I402 PolarHBondContact O-N 3.03Å; E398-I402 PolarHBondContact N-O 3.05Å; V400-I402 VanDerWaalsContact C-N 3.28Å; V400-I402 HydrophobicContact CG2-CB 4.48Å; V400-I402 HydrophobicContact CG2-CD1 4.08Å; V400-I402 HydrophobicContact CG2-CG1 4.1Å; V400-I402 PolarHBondContact O-N 3.3Å; I402-F444 HydrophobicContact CD1-CB 3.82Å; I402-M445 HydrophobicContact CD1-CG 4.2Å; I402-M445 HydrophobicContact CG2-CG 4.36Å; I402-V486 HydrophobicContact CD1-CG2 4.08Å; I402-V486 HydrophobicContact CG1-CG1 4.02Å; I402-V486 HydrophobicContact CG1-CG2 4.25Å
403	T	98.1	Very high	93.5	Very high	32 Å²	32	37.2 Å²	37.2	20%	0.196	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.6	-179.5	42.9	0	0	0	0	110.2	L69 E70 L71 I72	L69-T403 PolarHBondContact O-N 2.94Å; E70-T403 WeakPolarHBondContact CA-OG1 3.33Å; E70-T403 VanDerWaalsContact OE1-CB 3.32Å; E70-T403 WeakPolarHBondContact OE1-CB 3.48Å; E70-T403 PolarHBondContact OE1-OG1 3.49Å; E70-T403 PolarHBondContact OE2-OG1 3Å; L71-T403 CarbonylContact C-O 3.47Å; L71-T403 VanDerWaalsContact CA-O 3.31Å; L71-T403 WeakPolarHBondContact CA-O 3.32Å; L71-T403 WeakPolarHBondContact CB-O 3.44Å; L71-T403 PolarHBondContact N-O 2.88Å; I72-T403 PolarHBondContact N-O 3.02Å
404	A	96.5	Very high	92.3	Very high	9 Å²	9	39.8 Å²	39.8	7%	0.074	21%	0.214	C	C	.	.			trans	-141.1	172.8	176.5	0	0	0	0	0	108.7	L71 I72 L397 L421 L423	L71-A404 HydrophobicContact CB-CB 4.35Å; I72-A404 WeakPolarHBondContact CD1-O 3.45Å; L397-A404 HydrophobicContact CD1-CB 4.37Å; A404-L421 HydrophobicContact CB-CD2 3.33Å; A404-L423 HydrophobicContact CB-CD2 3.64Å
405	N	94.1	Very high	91.3	Very high	26 Å²	26	40.3 Å²	40.3	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.5	177.5	75.4	-95.4	0	0	0	111.5	I72 R422	I72-N405 HydrophobicContact CD1-CB 3.7Å; N405-R422 PolarHBondContact O-N 2.9Å; N405-R422 VanDerWaalsContact OD1-CZ 3.3Å; N405-R422 PolarHBondContact OD1-NE 3.32Å; N405-R422 PolarHBondContact OD1-NH2 3.29Å
406	K	93.8	Very high	90.2	Very high	80 Å²	80	44.8 Å²	44.8	35%	0.348	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	142.5	164.1	72.1	-171.3	161.2	-68.8	0	109.7	A391 E394 P418 G420	A391-K406 HydrophobicContact CB-CD 3.98Å; E394-K406 HydrophobicContact CB-CB 4.4Å; E394-K406 VanDerWaalsContact CD-NZ 3.29Å; E394-K406 WeakPolarHBondContact OE1-CG 3.42Å; E394-K406 PolarHBondContact OE1-N 3.36Å; E394-K406 IonicContact OE1-NZ 2.7Å; E394-K406 PolarHBondContact OE1-NZ 2.85Å; E394-K406 VanDerWaalsContact OE1-NZ 3.09Å; E394-K406 IonicContact OE2-NZ 2.58Å; E394-K406 PolarHBondContact OE2-NZ 2.93Å; K406-P418 HydrophobicContact CB-CG 3.78Å; K406-P418 HydrophobicContact CD-CG 3.92Å; K406-P418 HydrophobicContact CG-CG 3.68Å; K406-G420 WeakPolarHBondContact CA-O 3.44Å
407	N	94.3	Very high	89.4	Confident	25 Å²	25	48.3 Å²	48.3	13%	0.134	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	138	-174.7	-160.3	96.5	0	0	0	110.3	A225 P418 G420 R422	A225-N407 VanDerWaalsContact CB-OD1 3.31Å; A225-N407 WeakPolarHBondContact CB-OD1 3.49Å; N407-P418 WeakPolarHBondContact O-CB 3.46Å; N407-G420 PolarHBondContact N-O 3.07Å; N407-G420 CarbonylContact O-C 3.59Å; N407-G420 VanDerWaalsContact O-C 3.29Å; N407-G420 VanDerWaalsContact O-CA 3.24Å; N407-G420 WeakPolarHBondContact O-CA 3.19Å; N407-G420 PolarHBondContact O-N 3.36Å; N407-G420 VanDerWaalsContact O-N 3.13Å; N407-R422 HydrophobicContact CB-CB 3.88Å
408	T	91.6	Very high	89.1	Confident	23 Å²	23	48.5 Å²	48.5	14%	0.141	28%	0.275	C	S	.	.			trans	-60.8	142.6	174.8	-43.5	0	0	0	0	110.5	P165 D412	P165-T408 HydrophobicContact CB-CG2 3.86Å; T408-D412 WeakPolarHBondContact CA-OD2 3.32Å; T408-D412 HydrophobicContact CG2-CB 3.49Å; T408-D412 VanDerWaalsContact CG2-CB 3.49Å; T408-D412 WeakPolarHBondContact CG2-OD2 3.49Å
409	C	88.9	Confident	88.8	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.027	25%	0.254	C	S	.	.			trans	-107.6	152.7	170.7	-71.6	0	0	0	0	110	V370 G411 D412 G420	V370-C409 HydrophobicContact CG2-CB 4.36Å; C409-G411 PolarHBondContact O-N 2.9Å; C409-D412 PolarHBondContact N-OD2 3.4Å; C409-D412 WeakPolarHBondContact O-CB 3.37Å; C409-D412 PolarHBondContact O-N 3.38Å; C409-G420 VanDerWaalsContact SG-CA 3.52Å
410	P	86.5	Confident	88.6	Confident	20 Å²	20	42.4 Å²	42.4	13%	0.13	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	131.1	168	-27.9	35.8	0	0	0	111.5	L195 P197 V370 R384	L195-P410 HydrophobicContact CD1-CG 3.84Å; P197-P410 HydrophobicContact CB-CB 4.2Å; V370-P410 HydrophobicContact CG1-CG 3.96Å; R384-P410 PolarHBondContact NH1-O 2.68Å; R384-P410 PolarHBondContact NH2-O 2.76Å
411	G	81.3	Confident	88.6	Confident	61 Å²	61	42.5 Å²	42.5	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-1.6	-177.4	0	0	0	0	0	116	C409 K413	C409-G411 PolarHBondContact O-N 2.9Å; G411-K413 PolarHBondContact O-N 3.03Å
412	D	84.7	Confident	88.5	Confident	37 Å²	37	42.9 Å²	42.9	20%	0.198	25%	0.247	C	C	.	.			trans	-64	135.8	172	-80.3	-14.3	0	0	0	111.6	R384 T408 C409 G419	R384-D412 WeakPolarHBondContact CD-OD1 3.17Å; R384-D412 IonicContact CZ-OD1 2.73Å; R384-D412 IonicContact NE-OD1 2.91Å; R384-D412 IonicContact NH1-OD1 2.88Å; R384-D412 PolarHBondContact NH1-OD1 3.24Å; T408-D412 WeakPolarHBondContact CA-OD2 3.32Å; T408-D412 HydrophobicContact CG2-CB 3.49Å; T408-D412 VanDerWaalsContact CG2-CB 3.49Å; T408-D412 WeakPolarHBondContact CG2-OD2 3.49Å; C409-D412 PolarHBondContact N-OD2 3.4Å; C409-D412 WeakPolarHBondContact O-CB 3.37Å; C409-D412 PolarHBondContact O-N 3.38Å; D412-G419 PolarHBondContact OD2-N 3.16Å
413	K	71.1	Confident	88.5	Confident	221 Å²	221	42.8 Å²	42.8	96%	0.961	25%	0.247	S	C	*	.	S	Bend	trans	-81.6	-16.2	179.5	-62.5	-176.6	179.9	-179	0	113.5	G411	G411-K413 PolarHBondContact O-N 3.03Å
414	S	72.7	Confident	88.6	Confident	54 Å²	54	41.3 Å²	41.3	38%	0.378	24%	0.237	S	C	.	.			trans	-148.8	132.5	-175.2	176.2	0	0	0	0	111.4	L416	S414-L416 VanDerWaalsContact C-N 3.25Å; S414-L416 PolarHBondContact O-N 2.89Å; S414-L416 PolarHBondContact OG-N 3.42Å; S414-L416 VanDerWaalsContact OG-N 3.16Å
415	A	76.4	Confident	88.7	Confident	52 Å²	52	40.9 Å²	40.9	43%	0.43	23%	0.234	S	C	.	.	S	Bend	trans	-73	-15.6	172.7	0	0	0	0	0	113.3
416	L	74.6	Confident	88.9	Confident	150 Å²	150	39.7 Å²	39.7	79%	0.785	23%	0.228	S	C	*	.	S	Bend	trans	-80.4	-27	-177.1	-66.3	174.3	0	0	0	113.2	S414	S414-L416 VanDerWaalsContact C-N 3.25Å; S414-L416 PolarHBondContact O-N 2.89Å; S414-L416 PolarHBondContact OG-N 3.42Å; S414-L416 VanDerWaalsContact OG-N 3.16Å
417	T	80.9	Confident	89.2	Confident	74 Å²	74	36 Å²	36	45%	0.454	21%	0.212	S	C	.	.	S	Bend	trans	-131	71.7	178.5	-46.8	0	0	0	0	108.7	D389	D389-T417 HydrophobicContact CB-CG2 4.21Å
418	P	91.7	Very high	89.4	Confident	4 Å²	4	34.8 Å²	34.8	3%	0.026	21%	0.205	C	C	.	.			trans	-68.7	147.1	-174	28.2	-35.2	0	0	0	111.8	G390 K406 N407 G420	G390-P418 PolarHBondContact N-O 2.92Å; K406-P418 HydrophobicContact CB-CG 3.78Å; K406-P418 HydrophobicContact CD-CG 3.92Å; K406-P418 HydrophobicContact CG-CG 3.68Å; N407-P418 WeakPolarHBondContact O-CB 3.46Å; P418-G420 VanDerWaalsContact C-N 3.31Å; P418-G420 PolarHBondContact O-N 3.27Å
419	G	92.9	Very high	89.7	Confident	4 Å²	4	34 Å²	34	4%	0.041	20%	0.201	C	C	.	.	S	Bend	trans	-79.8	-8	-178.7	0	0	0	0	0	114.8	L383 D412	L383-G419 WeakPolarHBondContact CB-O 3.37Å; L383-G419 PolarHBondContact N-O 3.31Å; D412-G419 PolarHBondContact OD2-N 3.16Å
420	G	95.1	Very high	90.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	177.3	-170.9	0	0	0	0	0	116.4	V381 G390 K406 N407 C409 P418	V381-G420 CarbonylContact O-C 3.21Å; V381-G420 WeakPolarHBondContact O-CA 3.35Å; G390-G420 WeakPolarHBondContact CA-O 3.42Å; K406-G420 WeakPolarHBondContact CA-O 3.44Å; N407-G420 PolarHBondContact N-O 3.07Å; N407-G420 CarbonylContact O-C 3.59Å; N407-G420 VanDerWaalsContact O-C 3.29Å; N407-G420 VanDerWaalsContact O-CA 3.24Å; N407-G420 WeakPolarHBondContact O-CA 3.19Å; N407-G420 PolarHBondContact O-N 3.36Å; N407-G420 VanDerWaalsContact O-N 3.13Å; C409-G420 VanDerWaalsContact SG-CA 3.52Å; P418-G420 VanDerWaalsContact C-N 3.31Å; P418-G420 PolarHBondContact O-N 3.27Å
421	L	97.3	Very high	90.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.8	178.8	-115.6	140.6	0	0	0	109.6	V381 L383 A393 L397 A404 L423 F449	V381-L421 PolarHBondContact N-O 2.97Å; V381-L421 PolarHBondContact O-N 3.35Å; L383-L421 HydrophobicContact CD1-CB 4.33Å; L383-L421 HydrophobicContact CD1-CD1 3.54Å; L383-L421 HydrophobicContact CD1-CG 4.49Å; A393-L421 HydrophobicContact CB-CD1 3.42Å; A393-L421 VanDerWaalsContact CB-CD1 3.42Å; L397-L421 HydrophobicContact CD1-CD1 4.37Å; L397-L421 HydrophobicContact CD1-CD2 4.21Å; A404-L421 HydrophobicContact CB-CD2 3.33Å; L421-L423 HydrophobicContact CD2-CD2 4.01Å; L421-F449 HydrophobicContact CD1-CE1 3.96Å; L421-F449 HydrophobicContact CD1-CZ 4.28Å
422	R	98.4	Very high	91.6	Very high	22 Å²	22	36.7 Å²	36.7	8%	0.083	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.6	174.7	-177.5	-177.5	73.1	166.1	-0.7	109.4	A73 S224 H252 L380 N405 N407	A73-R422 HydrophobicContact CB-CG 4.16Å; S224-R422 PolarHBondContact O-NH1 2.88Å; H252-R422 PolarHBondContact CE1-NH1 2.87Å; L380-R422 HydrophobicContact CD2-CB 3.61Å; L380-R422 HydrophobicContact CD2-CG 3.62Å; N405-R422 PolarHBondContact O-N 2.9Å; N405-R422 VanDerWaalsContact OD1-CZ 3.3Å; N405-R422 PolarHBondContact OD1-NE 3.32Å; N405-R422 PolarHBondContact OD1-NH2 3.29Å; N407-R422 HydrophobicContact CB-CB 3.88Å
423	L	98.8	Very high	92.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.7	-175.7	-51.6	170.5	0	0	0	108.9	L71 M358 L362 L378 V379 V381 A404 L421 M445	L71-L423 HydrophobicContact CB-CD2 4.23Å; L71-L423 HydrophobicContact CD1-CD2 4.18Å; L71-L423 CarbonylContact O-C 3.37Å; L71-L423 WeakPolarHBondContact O-CA 3.16Å; M358-L423 HydrophobicContact CE-CB 3.78Å; M358-L423 HydrophobicContact SD-CB 3.92Å; M358-L423 HydrophobicContact SD-CD1 4.22Å; L362-L423 HydrophobicContact CD1-CD1 3.91Å; L378-L423 CarbonylContact C-O 3.47Å; L378-L423 WeakPolarHBondContact CA-O 3.39Å; L378-L423 VanDerWaalsContact CB-O 3.29Å; L378-L423 WeakPolarHBondContact CB-O 3.46Å; V379-L423 PolarHBondContact N-O 3.33Å; V379-L423 PolarHBondContact O-N 2.95Å; V381-L423 HydrophobicContact CG2-CD1 3.64Å; V381-L423 HydrophobicContact CG2-CG 4.43Å; A404-L423 HydrophobicContact CB-CD2 3.64Å; L421-L423 HydrophobicContact CD2-CD2 4.01Å; L423-M445 HydrophobicContact CD1-CE 3.45Å; L423-M445 VanDerWaalsContact CD1-CE 3.45Å; L423-M445 HydrophobicContact CD1-SD 4.15Å; L423-M445 HydrophobicContact CD2-CE 3.64Å; L423-M445 HydrophobicContact CD2-SD 4.35Å; L423-M445 HydrophobicContact CG-CE 4.17Å
424	G	98.7	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.3	176.3	0	0	0	0	0	113.5	L71 H377 P426	L71-G424 PolarHBondContact O-N 3.2Å; H377-G424 VanDerWaalsContact O-CA 3.32Å; H377-G424 WeakPolarHBondContact O-CA 3Å; G424-P426 VanDerWaalsContact C-CD 3.42Å
425	A	98.9	Very high	94.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-84.2	-19.2	-178.6	0	0	0	0	0	117.8	V351 N354 A355 H377 A427 T429 F438	V351-A425 HydrophobicContact CG1-CB 4.21Å; N354-A425 HydrophobicContact CB-CB 4.01Å; A355-A425 HydrophobicContact CB-CB 4.2Å; H377-A425 PolarHBondContact O-N 2.98Å; A425-A427 PolarHBondContact O-N 3.47Å; A425-T429 VanDerWaalsContact O-CB 3.32Å; A425-T429 WeakPolarHBondContact O-CB 3.34Å; A425-T429 PolarHBondContact O-N 2.93Å; A425-T429 PolarHBondContact O-OG1 2.9Å; A425-F438 HydrophobicContact CB-CE1 3.78Å; A425-F438 HydrophobicContact CB-CZ 3.63Å
426	P	98.9	Very high	95.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-56.7	-43.9	-167.7	-29.7	35.2	0	0	0	116.2	N76 Y347 V351 H377 G424 S430	N76-P426 PolarHBondContact OD1-O 2.89Å; Y347-P426 PolarHBondContact OH-O 3.45Å; V351-P426 HydrophobicContact CG1-CG 4.17Å; H377-P426 HydrophobicContact CB-CG 3.97Å; H377-P426 VanDerWaalsContact CD2-CG 3.45Å; H377-P426 WeakPolarHBondContact CD2-CG 3.24Å; G424-P426 VanDerWaalsContact C-CD 3.42Å; P426-S430 PolarHBondContact O-N 3.23Å; P426-S430 PolarHBondContact O-OG 3.3Å
427	A	98.9	Very high	97.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-53.8	-173.5	0	0	0	0	0	111.8	E70 F77 A425 T429 S430 R431	E70-A427 HydrophobicContact CB-CB 3.99Å; E70-A427 HydrophobicContact CG-CB 3.98Å; F77-A427 HydrophobicContact CD2-CB 4.28Å; F77-A427 WeakPolarHBondContact CD2-O 3.32Å; F77-A427 HydrophobicContact CE2-CB 3.8Å; F77-A427 WeakPolarHBondContact CE2-O 3.49Å; F77-A427 HydrophobicContact CZ-CB 4.31Å; A425-A427 PolarHBondContact O-N 3.47Å; A427-T429 VanDerWaalsContact C-N 3.31Å; A427-T429 PolarHBondContact O-N 3.39Å; A427-S430 WeakPolarHBondContact O-CB 3.26Å; A427-S430 PolarHBondContact O-N 2.92Å; A427-S430 VanDerWaalsContact O-N 3.11Å; A427-R431 PolarHBondContact O-N 2.84Å
428	L	98.9	Very high	98	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-34.9	177.2	-62.9	-174.5	0	0	0	112.7	L69 L71 S430 R431 Q432 F433 F438 V441	L69-L428 HydrophobicContact CB-CD1 4.3Å; L69-L428 HydrophobicContact CD2-CD1 4Å; L69-L428 HydrophobicContact CD2-CD2 4.2Å; L71-L428 HydrophobicContact CD2-CD1 3.62Å; L71-L428 HydrophobicContact CD2-CG 4.41Å; L71-L428 HydrophobicContact CG-CD1 4.49Å; L428-S430 PolarHBondContact O-N 2.88Å; L428-R431 CarbonylContact O-C 3.58Å; L428-R431 WeakPolarHBondContact O-CA 3.4Å; L428-R431 WeakPolarHBondContact O-CB 3.45Å; L428-R431 PolarHBondContact O-N 3.32Å; L428-Q432 PolarHBondContact O-N 2.64Å; L428-F433 HydrophobicContact CB-CB 4.13Å; L428-F433 HydrophobicContact CB-CD1 4.03Å; L428-F433 HydrophobicContact CB-CD2 4.01Å; L428-F433 HydrophobicContact CB-CE1 4.46Å; L428-F433 HydrophobicContact CB-CE2 4.42Å; L428-F433 HydrophobicContact CB-CG 3.81Å; L428-F433 HydrophobicContact CD1-CD1 4.14Å; L428-F433 HydrophobicContact CD1-CE1 4.03Å; L428-F433 HydrophobicContact CD2-CE1 4.41Å; L428-F433 HydrophobicContact CD2-CE2 4.13Å; L428-F433 HydrophobicContact CD2-CZ 4.09Å; L428-F433 WeakPolarHBondContact O-CB 3.46Å; L428-F433 VanDerWaalsContact O-CD2 3.22Å; L428-F433 WeakPolarHBondContact O-CD2 3.43Å; L428-F433 PolarHBondContact O-N 3.49Å; L428-F438 HydrophobicContact CB-CE2 4.11Å; L428-F438 HydrophobicContact CB-CZ 3.83Å; L428-F438 HydrophobicContact CD1-CZ 4.4Å; L428-V441 HydrophobicContact CD1-CG2 4.02Å
429	T	98.9	Very high	98.3	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.043	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-32.6	174.7	-51.3	0	0	0	0	111.7	Y347 Q350 V351 N354 A425 A427 R431 Q432	Y347-T429 HydrophobicContact CD2-CG2 3.9Å; Y347-T429 HydrophobicContact CE2-CG2 3.89Å; Q350-T429 HydrophobicContact CB-CG2 3.78Å; Q350-T429 HydrophobicContact CG-CG2 3.67Å; V351-T429 HydrophobicContact CG2-CG2 3.67Å; N354-T429 PolarHBondContact ND2-OG1 3.37Å; A425-T429 VanDerWaalsContact O-CB 3.32Å; A425-T429 WeakPolarHBondContact O-CB 3.34Å; A425-T429 PolarHBondContact O-N 2.93Å; A425-T429 PolarHBondContact O-OG1 2.9Å; A427-T429 VanDerWaalsContact C-N 3.31Å; A427-T429 PolarHBondContact O-N 3.39Å; T429-R431 PolarHBondContact O-N 2.88Å; T429-Q432 WeakPolarHBondContact O-CA 3.23Å; T429-Q432 PolarHBondContact O-N 3Å
430	S	98.9	Very high	98.6	Very high	11 Å²	11	30 Å²	30	8%	0.077	15%	0.149	C	C	.	.	H	α-helix	trans	-67.1	-21.8	173.1	-70.7	0	0	0	0	112.7	N76 R281 Y347 P426 A427 L428	N76-S430 WeakPolarHBondContact OD1-CB 3.13Å; N76-S430 PolarHBondContact OD1-OG 3.5Å; R281-S430 WeakPolarHBondContact CD-OG 3.45Å; R281-S430 PolarHBondContact NH1-OG 2.93Å; Y347-S430 WeakPolarHBondContact CE2-OG 3.31Å; Y347-S430 PolarHBondContact OH-OG 3.49Å; Y347-S430 VanDerWaalsContact OH-OG 3.11Å; P426-S430 PolarHBondContact O-N 3.23Å; P426-S430 PolarHBondContact O-OG 3.3Å; A427-S430 WeakPolarHBondContact O-CB 3.26Å; A427-S430 PolarHBondContact O-N 2.92Å; A427-S430 VanDerWaalsContact O-N 3.11Å; L428-S430 PolarHBondContact O-N 2.88Å
431	R	98.8	Very high	98.8	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	14.4	169.8	-57.1	-172.3	66.2	-173.3	-2.9	113.1	Q65 C66 G68 F77 A427 L428 T429 F433 A490 F493 P494 M495	Q65-R431 PolarHBondContact O-NH1 3.32Å; Q65-R431 VanDerWaalsContact O-NH1 3.17Å; C66-R431 PolarHBondContact O-NH1 2.75Å; C66-R431 PolarHBondContact O-NH2 2.99Å; G68-R431 PolarHBondContact O-NH1 3.46Å; F77-R431 HydrophobicContact CD2-CG 3.77Å; F77-R431 HydrophobicContact CE2-CG 3.71Å; A427-R431 PolarHBondContact O-N 2.84Å; L428-R431 CarbonylContact O-C 3.58Å; L428-R431 WeakPolarHBondContact O-CA 3.4Å; L428-R431 WeakPolarHBondContact O-CB 3.45Å; L428-R431 PolarHBondContact O-N 3.32Å; T429-R431 PolarHBondContact O-N 2.88Å; R431-F433 VanDerWaalsContact C-N 3.34Å; R431-F433 HydrophobicContact CB-CD2 3.96Å; R431-F433 HydrophobicContact CB-CE2 4.07Å; R431-F433 PolarHBondContact O-N 3.44Å; R431-A490 PolarHBondContact NH2-O 3.08Å; R431-F493 HydrophobicContact CB-CB 4.24Å; R431-F493 PolarHBondContact NH2-O 3.15Å; R431-F493 WeakPolarHBondContact O-CD1 3.32Å; R431-P494 WeakPolarHBondContact CA-O 3.5Å; R431-P494 WeakPolarHBondContact CB-O 3.39Å; R431-P494 VanDerWaalsContact CG-O 3.29Å; R431-P494 WeakPolarHBondContact CG-O 3.47Å; R431-P494 PolarHBondContact NE-O 3.07Å; R431-P494 VanDerWaalsContact NE-O 3.17Å; R431-P494 WeakPolarHBondContact O-CD 3.48Å; R431-M495 HydrophobicContact CG-CE 4.41Å
432	Q	98.8	Very high	98.8	Very high	129 Å²	129	29.9 Å²	29.9	60%	0.603	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	14.4	177	-51.5	176	-2.2	0	0	116.1	L428 T429 P494	L428-Q432 PolarHBondContact O-N 2.64Å; T429-Q432 WeakPolarHBondContact O-CA 3.23Å; T429-Q432 PolarHBondContact O-N 3Å; Q432-P494 HydrophobicContact CB-CG 4.32Å; Q432-P494 VanDerWaalsContact CD-CG 3.46Å; Q432-P494 HydrophobicContact CG-CG 3.85Å
433	F	98.9	Very high	98.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.			trans	-57.7	142.6	172	-78.4	-125.8	0	0	0	111.4	L69 N354 L428 R431 D437 F438 V441 F489 F493	L69-F433 HydrophobicContact CD2-CE1 3.72Å; L69-F433 HydrophobicContact CD2-CZ 3.71Å; N354-F433 PolarHBondContact ND2-O 2.83Å; L428-F433 HydrophobicContact CB-CB 4.13Å; L428-F433 HydrophobicContact CB-CD1 4.03Å; L428-F433 HydrophobicContact CB-CD2 4.01Å; L428-F433 HydrophobicContact CB-CE1 4.46Å; L428-F433 HydrophobicContact CB-CE2 4.42Å; L428-F433 HydrophobicContact CB-CG 3.81Å; L428-F433 HydrophobicContact CD1-CD1 4.14Å; L428-F433 HydrophobicContact CD1-CE1 4.03Å; L428-F433 HydrophobicContact CD2-CE1 4.41Å; L428-F433 HydrophobicContact CD2-CE2 4.13Å; L428-F433 HydrophobicContact CD2-CZ 4.09Å; L428-F433 WeakPolarHBondContact O-CB 3.46Å; L428-F433 VanDerWaalsContact O-CD2 3.22Å; L428-F433 WeakPolarHBondContact O-CD2 3.43Å; L428-F433 PolarHBondContact O-N 3.49Å; R431-F433 VanDerWaalsContact C-N 3.34Å; R431-F433 HydrophobicContact CB-CD2 3.96Å; R431-F433 HydrophobicContact CB-CE2 4.07Å; R431-F433 PolarHBondContact O-N 3.44Å; F433-D437 WeakPolarHBondContact CA-OD2 3.38Å; F433-D437 HydrophobicContact CB-CB 4.1Å; F433-D437 HydrophobicContact CD1-CB 3.5Å; F433-D437 HydrophobicContact CE1-CB 4.24Å; F433-D437 HydrophobicContact CG-CB 4.06Å; F433-F438 HydrophobicContact CB-CD2 4.1Å; F433-F438 HydrophobicContact CB-CE2 3.73Å; F433-V441 HydrophobicContact CD1-CG2 4.38Å; F433-V441 HydrophobicContact CE1-CG2 4.13Å; F433-F489 HydrophobicContact CE1-CD1 4.46Å; F433-F489 AromaticContact CE1-CE1 3.66Å; F433-F489 HydrophobicContact CE1-CE1 3.66Å; F433-F489 HydrophobicContact CE1-CZ 4.23Å; F433-F489 HydrophobicContact CZ-CE1 4.29Å; F433-F493 HydrophobicContact CD1-CE1 4.44Å; F433-F493 HydrophobicContact CD1-CZ 4.35Å; F433-F493 HydrophobicContact CD2-CB 4.21Å; F433-F493 AromaticContact CD2-CD1 3.38Å; F433-F493 HydrophobicContact CD2-CD1 3.38Å; F433-F493 HydrophobicContact CD2-CD2 4.21Å; F433-F493 AromaticContact CD2-CE1 3.66Å; F433-F493 HydrophobicContact CD2-CE1 3.66Å; F433-F493 HydrophobicContact CD2-CE2 4.44Å; F433-F493 AromaticContact CD2-CG 3.69Å; F433-F493 HydrophobicContact CD2-CG 3.69Å; F433-F493 HydrophobicContact CD2-CZ 4.19Å; F433-F493 HydrophobicContact CE1-CD2 4.4Å; F433-F493 HydrophobicContact CE1-CE2 4.09Å; F433-F493 HydrophobicContact CE1-CZ 4.19Å; F433-F493 HydrophobicContact CE2-CB 3.58Å; F433-F493 AromaticContact CE2-CD1 3.41Å; F433-F493 HydrophobicContact CE2-CD1 3.41Å; F433-F493 VanDerWaalsContact CE2-CD1 3.41Å; F433-F493 AromaticContact CE2-CD2 3.39Å; F433-F493 HydrophobicContact CE2-CD2 3.39Å; F433-F493 AromaticContact CE2-CE1 3.84Å; F433-F493 HydrophobicContact CE2-CE1 3.84Å; F433-F493 AromaticContact CE2-CE2 3.83Å; F433-F493 HydrophobicContact CE2-CE2 3.83Å; F433-F493 AromaticContact CE2-CG 3.15Å; F433-F493 HydrophobicContact CE2-CG 3.15Å; F433-F493 HydrophobicContact CE2-CZ 4.04Å; F433-F493 HydrophobicContact CG-CD1 4.18Å; F433-F493 AromaticContact CG-CE1 3.98Å; F433-F493 HydrophobicContact CG-CE1 3.98Å; F433-F493 HydrophobicContact CG-CZ 4.34Å; F433-F493 HydrophobicContact CZ-CB 4.44Å; F433-F493 HydrophobicContact CZ-CD1 4.19Å; F433-F493 AromaticContact CZ-CD2 3.49Å; F433-F493 HydrophobicContact CZ-CD2 3.49Å; F433-F493 VanDerWaalsContact CZ-CD2 3.49Å; F433-F493 HydrophobicContact CZ-CE1 4.29Å; F433-F493 AromaticContact CZ-CE2 3.61Å; F433-F493 HydrophobicContact CZ-CE2 3.61Å; F433-F493 AromaticContact CZ-CG 3.8Å; F433-F493 HydrophobicContact CZ-CG 3.8Å; F433-F493 HydrophobicContact CZ-CZ 4.01Å
434	K	98.9	Very high	98.9	Very high	96 Å²	96	33.1 Å²	33.1	42%	0.417	16%	0.164	S	C	.	.			trans	-116.8	-178.7	177.8	-59.4	-57.4	-173.4	179.4	0	111.3	Q350 N354 D436 D437 F438	Q350-K434 HydrophobicContact CG-CD 3.98Å; N354-K434 WeakPolarHBondContact OD1-CA 3.4Å; K434-D436 PolarHBondContact O-N 3.21Å; K434-D437 PolarHBondContact N-OD2 3.18Å; K434-D437 WeakPolarHBondContact O-CB 3.38Å; K434-D437 PolarHBondContact O-N 3.04Å; K434-D437 VanDerWaalsContact O-N 3.14Å; K434-F438 WeakPolarHBondContact O-CD2 3.47Å; K434-F438 PolarHBondContact O-N 3.48Å; K434-F438 VanDerWaalsContact O-N 3.09Å
435	E	98.9	Very high	98.9	Very high	62 Å²	62	33.1 Å²	33.1	29%	0.29	16%	0.164	S	C	.	.	H	α-helix	trans	-55.9	-47.3	-173.5	-65	92.2	145.1	0	0	112.3	Q350 K353 N354 A357 D437 F438 V439	Q350-E435 VanDerWaalsContact NE2-CD 3.25Å; Q350-E435 PolarHBondContact NE2-OE2 2.72Å; K353-E435 HydrophobicContact CB-CG 4.15Å; K353-E435 VanDerWaalsContact CD-OE1 3.26Å; K353-E435 WeakPolarHBondContact CD-OE1 3.31Å; N354-E435 PolarHBondContact OD1-N 3.47Å; A357-E435 HydrophobicContact CB-CB 3.84Å; A357-E435 HydrophobicContact CB-CG 4.08Å; E435-D437 VanDerWaalsContact C-N 3.3Å; E435-D437 PolarHBondContact O-N 3.13Å; E435-F438 PolarHBondContact O-N 3.34Å; E435-F438 VanDerWaalsContact O-N 3.12Å; E435-V439 PolarHBondContact O-N 2.69Å
436	D	98.9	Very high	98.9	Very high	135 Å²	135	33.7 Å²	33.7	72%	0.722	17%	0.167	S	C	*	.	H	α-helix	trans	-64	-35.7	179.3	-66.4	-19.8	0	0	0	112.1	K434 F438 V439 Q440	K434-D436 PolarHBondContact O-N 3.21Å; D436-F438 VanDerWaalsContact C-N 3.31Å; D436-F438 PolarHBondContact O-N 3.24Å; D436-V439 WeakPolarHBondContact O-CB 3.18Å; D436-V439 PolarHBondContact O-N 2.88Å; D436-Q440 PolarHBondContact O-N 3.3Å
437	D	98.9	Very high	98.9	Very high	34 Å²	34	36.6 Å²	36.6	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-38.9	175.1	-54.1	-51.3	0	0	0	110.8	F433 K434 E435 V439 Q440 V441 F489 F493	F433-D437 WeakPolarHBondContact CA-OD2 3.38Å; F433-D437 HydrophobicContact CB-CB 4.1Å; F433-D437 HydrophobicContact CD1-CB 3.5Å; F433-D437 HydrophobicContact CE1-CB 4.24Å; F433-D437 HydrophobicContact CG-CB 4.06Å; K434-D437 PolarHBondContact N-OD2 3.18Å; K434-D437 WeakPolarHBondContact O-CB 3.38Å; K434-D437 PolarHBondContact O-N 3.04Å; K434-D437 VanDerWaalsContact O-N 3.14Å; E435-D437 VanDerWaalsContact C-N 3.3Å; E435-D437 PolarHBondContact O-N 3.13Å; D437-V439 VanDerWaalsContact C-N 3.33Å; D437-Q440 WeakPolarHBondContact O-CB 3.36Å; D437-Q440 PolarHBondContact O-N 3.37Å; D437-V441 VanDerWaalsContact O-CG2 3.28Å; D437-V441 WeakPolarHBondContact O-CG2 3.48Å; D437-V441 PolarHBondContact O-N 3.37Å; D437-F489 HydrophobicContact CB-CZ 4.02Å; D437-F493 HydrophobicContact CB-CZ 4.29Å; D437-F493 WeakPolarHBondContact OD1-CZ 3.16Å
438	F	98.9	Very high	98.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.1	-30	175.1	-89.7	-93.6	0	0	0	112.9	L71 N354 M358 A425 L428 F433 K434 E435 D436 V441 V442	L71-F438 HydrophobicContact CD2-CE1 4.31Å; N354-F438 HydrophobicContact CB-CD1 4.42Å; N354-F438 HydrophobicContact CB-CD2 3.51Å; N354-F438 HydrophobicContact CB-CE1 4.41Å; N354-F438 HydrophobicContact CB-CE2 3.51Å; N354-F438 HydrophobicContact CB-CG 3.97Å; N354-F438 HydrophobicContact CB-CZ 3.97Å; N354-F438 VanDerWaalsContact CG-CD2 3.46Å; N354-F438 WeakPolarHBondContact ND2-CE2 3.41Å; M358-F438 HydrophobicContact CB-CD1 3.97Å; M358-F438 HydrophobicContact CG-CD1 4.41Å; M358-F438 HydrophobicContact SD-CD1 4.05Å; M358-F438 HydrophobicContact SD-CE1 4.25Å; A425-F438 HydrophobicContact CB-CE1 3.78Å; A425-F438 HydrophobicContact CB-CZ 3.63Å; L428-F438 HydrophobicContact CB-CE2 4.11Å; L428-F438 HydrophobicContact CB-CZ 3.83Å; L428-F438 HydrophobicContact CD1-CZ 4.4Å; F433-F438 HydrophobicContact CB-CD2 4.1Å; F433-F438 HydrophobicContact CB-CE2 3.73Å; K434-F438 WeakPolarHBondContact O-CD2 3.47Å; K434-F438 PolarHBondContact O-N 3.48Å; K434-F438 VanDerWaalsContact O-N 3.09Å; E435-F438 PolarHBondContact O-N 3.34Å; E435-F438 VanDerWaalsContact O-N 3.12Å; D436-F438 VanDerWaalsContact C-N 3.31Å; D436-F438 PolarHBondContact O-N 3.24Å; F438-V441 PolarHBondContact O-N 2.95Å; F438-V442 WeakPolarHBondContact O-CG2 3.12Å; F438-V442 PolarHBondContact O-N 3.04Å; F438-V442 VanDerWaalsContact O-N 3.08Å
439	V	98.9	Very high	98.8	Very high	56 Å²	56	36.9 Å²	36.9	34%	0.339	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-46.9	168.7	177.1	0	0	0	0	109.6	A361 E435 D436 D437 V441 V442 E443	A361-V439 HydrophobicContact CB-CG1 4.45Å; A361-V439 HydrophobicContact CB-CG2 4.32Å; E435-V439 PolarHBondContact O-N 2.69Å; D436-V439 WeakPolarHBondContact O-CB 3.18Å; D436-V439 PolarHBondContact O-N 2.88Å; D437-V439 VanDerWaalsContact C-N 3.33Å; V439-V441 VanDerWaalsContact C-N 3.34Å; V439-V441 PolarHBondContact O-N 2.99Å; V439-V442 WeakPolarHBondContact O-CA 3.5Å; V439-V442 WeakPolarHBondContact O-CB 3.48Å; V439-V442 PolarHBondContact O-N 3.35Å; V439-E443 PolarHBondContact O-N 3.02Å
440	Q	98.9	Very high	98.8	Very high	72 Å²	72	42 Å²	42	34%	0.336	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-37.2	176.7	-177.3	56.8	58.3	0	0	112.9	D436 D437 V442 E443 F444 F489	D436-Q440 PolarHBondContact O-N 3.3Å; D437-Q440 WeakPolarHBondContact O-CB 3.36Å; D437-Q440 PolarHBondContact O-N 3.37Å; Q440-V442 VanDerWaalsContact C-N 3.29Å; Q440-V442 PolarHBondContact O-N 3.17Å; Q440-E443 WeakPolarHBondContact O-CB 3.42Å; Q440-E443 PolarHBondContact O-N 3.36Å; Q440-F444 HydrophobicContact CG-CD2 4.29Å; Q440-F444 HydrophobicContact CG-CE2 3.69Å; Q440-F444 HydrophobicContact CG-CZ 4.13Å; Q440-F444 VanDerWaalsContact NE2-CZ 3.26Å; Q440-F444 VanDerWaalsContact O-CD2 3.27Å; Q440-F444 WeakPolarHBondContact O-CD2 3.37Å; Q440-F444 PolarHBondContact O-N 3.42Å; Q440-F444 VanDerWaalsContact O-N 3.12Å; Q440-F489 HydrophobicContact CB-CE1 4.41Å; Q440-F489 HydrophobicContact CB-CE2 4.33Å; Q440-F489 HydrophobicContact CB-CZ 3.93Å; Q440-F489 HydrophobicContact CG-CD2 4.24Å; Q440-F489 HydrophobicContact CG-CE1 4.12Å; Q440-F489 HydrophobicContact CG-CE2 3.86Å; Q440-F489 HydrophobicContact CG-CZ 3.79Å
441	V	98.9	Very high	98.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.2	-45.4	171.2	169.7	0	0	0	0	110.4	L69 L71 L428 F433 D437 F438 V439 E443 F444 M445 F489	L69-V441 HydrophobicContact CD1-CG2 4.07Å; L69-V441 HydrophobicContact CD2-CG2 4.19Å; L71-V441 HydrophobicContact CD1-CG1 3.72Å; L71-V441 HydrophobicContact CD2-CG1 4.09Å; L71-V441 HydrophobicContact CG-CG1 4.41Å; L428-V441 HydrophobicContact CD1-CG2 4.02Å; F433-V441 HydrophobicContact CD1-CG2 4.38Å; F433-V441 HydrophobicContact CE1-CG2 4.13Å; D437-V441 VanDerWaalsContact O-CG2 3.28Å; D437-V441 WeakPolarHBondContact O-CG2 3.48Å; D437-V441 PolarHBondContact O-N 3.37Å; F438-V441 PolarHBondContact O-N 2.95Å; V439-V441 VanDerWaalsContact C-N 3.34Å; V439-V441 PolarHBondContact O-N 2.99Å; V441-E443 VanDerWaalsContact C-N 3.32Å; V441-E443 PolarHBondContact O-N 3.19Å; V441-F444 PolarHBondContact O-N 3.2Å; V441-M445 HydrophobicContact CG1-CG 4.5Å; V441-M445 HydrophobicContact CG1-SD 4.16Å; V441-M445 VanDerWaalsContact O-CG 3.32Å; V441-M445 WeakPolarHBondContact O-CG 3.17Å; V441-M445 PolarHBondContact O-N 3.47Å; V441-F489 HydrophobicContact CG2-CE1 4.29Å
442	V	98.9	Very high	98.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-33.5	178.1	171.2	0	0	0	0	112.1	M358 A361 L362 K365 F438 V439 Q440 M445 D446	M358-V442 HydrophobicContact CB-CG2 4.42Å; M358-V442 HydrophobicContact CG-CG2 3.75Å; A361-V442 HydrophobicContact CB-CB 3.94Å; A361-V442 HydrophobicContact CB-CG1 3.82Å; A361-V442 HydrophobicContact CB-CG2 4.07Å; L362-V442 HydrophobicContact CD2-CG1 3.92Å; L362-V442 HydrophobicContact CD2-CG2 4.38Å; L362-V442 HydrophobicContact CG-CG1 3.99Å; L362-V442 HydrophobicContact CG-CG2 3.98Å; K365-V442 HydrophobicContact CD-CG1 3.9Å; F438-V442 WeakPolarHBondContact O-CG2 3.12Å; F438-V442 PolarHBondContact O-N 3.04Å; F438-V442 VanDerWaalsContact O-N 3.08Å; V439-V442 WeakPolarHBondContact O-CA 3.5Å; V439-V442 WeakPolarHBondContact O-CB 3.48Å; V439-V442 PolarHBondContact O-N 3.35Å; Q440-V442 VanDerWaalsContact C-N 3.29Å; Q440-V442 PolarHBondContact O-N 3.17Å; V442-M445 PolarHBondContact O-N 2.85Å; V442-D446 WeakPolarHBondContact O-CB 3.32Å; V442-D446 PolarHBondContact O-N 3.01Å
443	E	98.9	Very high	98.7	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	19%	0.19	S	C	.	.	H	α-helix	trans	-60.1	-47.5	171.8	-66.8	-57.8	137.1	0	0	111.9	K365 V439 Q440 V441 M445 D446 E447	K365-E443 WeakPolarHBondContact CE-OE1 3.32Å; K365-E443 WeakPolarHBondContact CE-OE2 3.25Å; K365-E443 IonicContact NZ-OE1 3.36Å; K365-E443 PolarHBondContact NZ-OE1 3.44Å; K365-E443 IonicContact NZ-OE2 3.25Å; K365-E443 PolarHBondContact NZ-OE2 3.43Å; V439-E443 PolarHBondContact O-N 3.02Å; Q440-E443 WeakPolarHBondContact O-CB 3.42Å; Q440-E443 PolarHBondContact O-N 3.36Å; V441-E443 VanDerWaalsContact C-N 3.32Å; V441-E443 PolarHBondContact O-N 3.19Å; E443-M445 VanDerWaalsContact C-N 3.32Å; E443-M445 PolarHBondContact O-N 3.28Å; E443-D446 PolarHBondContact O-N 2.69Å; E443-E447 PolarHBondContact O-N 3.16Å; E443-E447 VanDerWaalsContact O-N 3.11Å
444	F	98.9	Very high	98.6	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.053	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-38.3	176.4	-65.1	-51.3	0	0	0	112.5	L69 I402 Q440 V441 E447 G448 L482 R485 V486 F489	L69-F444 HydrophobicContact CD1-CD2 4.05Å; I402-F444 HydrophobicContact CD1-CB 3.82Å; Q440-F444 HydrophobicContact CG-CD2 4.29Å; Q440-F444 HydrophobicContact CG-CE2 3.69Å; Q440-F444 HydrophobicContact CG-CZ 4.13Å; Q440-F444 VanDerWaalsContact NE2-CZ 3.26Å; Q440-F444 VanDerWaalsContact O-CD2 3.27Å; Q440-F444 WeakPolarHBondContact O-CD2 3.37Å; Q440-F444 PolarHBondContact O-N 3.42Å; Q440-F444 VanDerWaalsContact O-N 3.12Å; V441-F444 PolarHBondContact O-N 3.2Å; F444-E447 PolarHBondContact O-N 3.41Å; F444-G448 PolarHBondContact O-N 3.46Å; F444-L482 HydrophobicContact CB-CD1 4.19Å; F444-L482 HydrophobicContact CD1-CD1 3.59Å; F444-L482 HydrophobicContact CE1-CD1 4.41Å; F444-L482 HydrophobicContact CG-CD1 4.29Å; F444-R485 HydrophobicContact CE1-CB 3.98Å; F444-R485 HydrophobicContact CZ-CB 4.46Å; F444-V486 HydrophobicContact CB-CG2 3.88Å; F444-V486 HydrophobicContact CD1-CG2 3.93Å; F444-V486 HydrophobicContact CD2-CG2 3.96Å; F444-V486 HydrophobicContact CE1-CG2 4.41Å; F444-V486 HydrophobicContact CE2-CG2 4.44Å; F444-V486 HydrophobicContact CG-CG2 3.67Å; F444-F489 HydrophobicContact CD2-CD1 4.42Å; F444-F489 HydrophobicContact CE2-CB 3.89Å; F444-F489 AromaticContact CE2-CD1 3.64Å; F444-F489 HydrophobicContact CE2-CD1 3.64Å; F444-F489 HydrophobicContact CE2-CE1 4.29Å; F444-F489 AromaticContact CE2-CG 3.79Å; F444-F489 HydrophobicContact CE2-CG 3.79Å; F444-F489 HydrophobicContact CZ-CB 4.06Å; F444-F489 HydrophobicContact CZ-CG 4.3Å
445	M	98.7	Very high	98.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-45.1	176.6	-71.1	-179.1	60.2	0	0	112.4	L71 L397 I402 L423 V441 V442 E443 E447 G448 F449	L71-M445 HydrophobicContact CD1-CG 4.41Å; L71-M445 HydrophobicContact CD1-SD 3.5Å; L71-M445 WeakPolarHBondContact CD1-SD 3.49Å; L397-M445 HydrophobicContact CD1-CE 4.27Å; L397-M445 HydrophobicContact CD2-CB 4.38Å; L397-M445 HydrophobicContact CD2-CG 4.22Å; I402-M445 HydrophobicContact CD1-CG 4.2Å; I402-M445 HydrophobicContact CG2-CG 4.36Å; L423-M445 HydrophobicContact CD1-CE 3.45Å; L423-M445 VanDerWaalsContact CD1-CE 3.45Å; L423-M445 HydrophobicContact CD1-SD 4.15Å; L423-M445 HydrophobicContact CD2-CE 3.64Å; L423-M445 HydrophobicContact CD2-SD 4.35Å; L423-M445 HydrophobicContact CG-CE 4.17Å; V441-M445 HydrophobicContact CG1-CG 4.5Å; V441-M445 HydrophobicContact CG1-SD 4.16Å; V441-M445 VanDerWaalsContact O-CG 3.32Å; V441-M445 WeakPolarHBondContact O-CG 3.17Å; V441-M445 PolarHBondContact O-N 3.47Å; V442-M445 PolarHBondContact O-N 2.85Å; E443-M445 VanDerWaalsContact C-N 3.32Å; E443-M445 PolarHBondContact O-N 3.28Å; M445-E447 VanDerWaalsContact C-N 3.29Å; M445-E447 PolarHBondContact O-N 3.36Å; M445-G448 CarbonylContact O-C 2.99Å; M445-G448 PolarHBondContact O-N 3.04Å; M445-G448 VanDerWaalsContact O-N 3.16Å; M445-F449 HydrophobicContact CB-CE2 4.09Å; M445-F449 HydrophobicContact CB-CZ 4.36Å; M445-F449 HydrophobicContact CE-CE2 3.91Å; M445-F449 HydrophobicContact CE-CZ 3.54Å; M445-F449 WeakPolarHBondContact O-CD2 3.44Å; M445-F449 WeakPolarHBondContact O-CG 3.39Å; M445-F449 PolarHBondContact O-N 2.94Å
446	D	98.8	Very high	98.4	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.07	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-41.3	176.3	176.3	48.1	0	0	0	111.4	K365 Y367 V442 E443 F449 K450	K365-D446 HydrophobicContact CD-CB 3.64Å; K365-D446 IonicContact NZ-OD2 3.75Å; K365-D446 PolarHBondContact NZ-OD2 2.91Å; Y367-D446 HydrophobicContact CE2-CB 4.47Å; Y367-D446 PolarHBondContact OH-OD1 3.47Å; V442-D446 WeakPolarHBondContact O-CB 3.32Å; V442-D446 PolarHBondContact O-N 3.01Å; E443-D446 PolarHBondContact O-N 2.69Å; D446-F449 PolarHBondContact O-N 3.35Å; D446-K450 VanDerWaalsContact O-CG 3.31Å; D446-K450 WeakPolarHBondContact O-CG 3.42Å; D446-K450 PolarHBondContact O-N 3.29Å; D446-K450 WeakPolarHBondContact OD1-CE 3.34Å; D446-K450 IonicContact OD1-NZ 3.84Å; D446-K450 WeakPolarHBondContact OD2-CE 3.46Å; D446-K450 IonicContact OD2-NZ 3.71Å; D446-K450 PolarHBondContact OD2-NZ 3.3Å
447	E	98.8	Very high	98.3	Very high	63 Å²	63	35.4 Å²	35.4	29%	0.294	18%	0.179	S	C	.	.	H	α-helix	trans	-62.9	-44.8	173.3	-165.3	175.9	176.1	0	0	112.4	E443 F444 M445 F449 K450 I451 L482 R485	E443-E447 PolarHBondContact O-N 3.16Å; E443-E447 VanDerWaalsContact O-N 3.11Å; F444-E447 PolarHBondContact O-N 3.41Å; M445-E447 VanDerWaalsContact C-N 3.29Å; M445-E447 PolarHBondContact O-N 3.36Å; E447-F449 VanDerWaalsContact C-N 3.32Å; E447-F449 PolarHBondContact O-N 3.5Å; E447-K450 WeakPolarHBondContact O-CB 3.26Å; E447-K450 PolarHBondContact O-N 3.27Å; E447-I451 WeakPolarHBondContact O-CG1 3.48Å; E447-I451 PolarHBondContact O-N 3.31Å; E447-L482 HydrophobicContact CB-CD1 4.45Å; E447-L482 HydrophobicContact CB-CD2 4.08Å; E447-L482 HydrophobicContact CG-CD2 4.08Å; E447-L482 WeakPolarHBondContact OE2-CD1 3.44Å; E447-R485 IonicContact OE1-CZ 3.32Å; E447-R485 IonicContact OE1-NH1 2.64Å; E447-R485 IonicContact OE1-NH2 2.75Å; E447-R485 PolarHBondContact OE1-NH2 2.65Å; E447-R485 IonicContact OE2-CZ 3.07Å; E447-R485 IonicContact OE2-NH1 3.52Å; E447-R485 PolarHBondContact OE2-NH1 3.09Å; E447-R485 IonicContact OE2-NH2 3.5Å; E447-R485 PolarHBondContact OE2-NH2 3.39Å
448	G	98.6	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-41	173.2	0	0	0	0	0	112.8	V396 F444 M445 K450 I451 A452	V396-G448 WeakPolarHBondContact CG1-O 3.23Å; F444-G448 PolarHBondContact O-N 3.46Å; M445-G448 CarbonylContact O-C 2.99Å; M445-G448 PolarHBondContact O-N 3.04Å; M445-G448 VanDerWaalsContact O-N 3.16Å; G448-K450 PolarHBondContact O-N 3.43Å; G448-I451 PolarHBondContact O-N 3.19Å; G448-A452 WeakPolarHBondContact O-CB 3.44Å; G448-A452 PolarHBondContact O-N 3.36Å
449	F	98.4	Very high	98.1	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-36.1	176.1	-62.4	-30.8	0	0	0	112.4	Y367 L383 A393 L397 L421 M445 D446 E447 A452 L453	Y367-F449 AromaticContact CE1-CD2 3.61Å; Y367-F449 HydrophobicContact CE1-CD2 3.61Å; Y367-F449 HydrophobicContact CE1-CE2 4.08Å; Y367-F449 HydrophobicContact CE1-CG 4.39Å; Y367-F449 HydrophobicContact CE2-CD2 4.3Å; Y367-F449 AromaticContact CZ-CD2 3.46Å; Y367-F449 VanDerWaalsContact CZ-CD2 3.46Å; Y367-F449 WeakPolarHBondContact OH-CB 3.39Å; Y367-F449 VanDerWaalsContact OH-CD2 3.26Å; Y367-F449 WeakPolarHBondContact OH-CD2 3.24Å; L383-F449 HydrophobicContact CD1-CE1 4.44Å; L383-F449 HydrophobicContact CD2-CE2 4.31Å; L383-F449 HydrophobicContact CD2-CZ 4.34Å; A393-F449 HydrophobicContact CB-CD1 3.89Å; A393-F449 HydrophobicContact CB-CE1 3.79Å; L397-F449 HydrophobicContact CD1-CE1 3.73Å; L397-F449 HydrophobicContact CD1-CZ 4.16Å; L397-F449 HydrophobicContact CD2-CE1 4.31Å; L397-F449 HydrophobicContact CG-CE1 4.15Å; L421-F449 HydrophobicContact CD1-CE1 3.96Å; L421-F449 HydrophobicContact CD1-CZ 4.28Å; M445-F449 HydrophobicContact CB-CE2 4.09Å; M445-F449 HydrophobicContact CB-CZ 4.36Å; M445-F449 HydrophobicContact CE-CE2 3.91Å; M445-F449 HydrophobicContact CE-CZ 3.54Å; M445-F449 WeakPolarHBondContact O-CD2 3.44Å; M445-F449 WeakPolarHBondContact O-CG 3.39Å; M445-F449 PolarHBondContact O-N 2.94Å; D446-F449 PolarHBondContact O-N 3.35Å; E447-F449 VanDerWaalsContact C-N 3.32Å; E447-F449 PolarHBondContact O-N 3.5Å; F449-A452 PolarHBondContact O-N 2.84Å; F449-L453 WeakPolarHBondContact O-CB 3.39Å; F449-L453 PolarHBondContact O-N 2.9Å
450	K	98.4	Very high	97.7	Very high	114 Å²	114	40.4 Å²	40.4	50%	0.496	21%	0.212	S	C	.	.	H	α-helix	trans	-66.6	-40.9	173.8	-72.4	161.7	177.9	164.2	0	112.2	D446 E447 G448 A452 L453 D454	D446-K450 VanDerWaalsContact O-CG 3.31Å; D446-K450 WeakPolarHBondContact O-CG 3.42Å; D446-K450 PolarHBondContact O-N 3.29Å; D446-K450 WeakPolarHBondContact OD1-CE 3.34Å; D446-K450 IonicContact OD1-NZ 3.84Å; D446-K450 WeakPolarHBondContact OD2-CE 3.46Å; D446-K450 IonicContact OD2-NZ 3.71Å; D446-K450 PolarHBondContact OD2-NZ 3.3Å; E447-K450 WeakPolarHBondContact O-CB 3.26Å; E447-K450 PolarHBondContact O-N 3.27Å; G448-K450 PolarHBondContact O-N 3.43Å; K450-A452 VanDerWaalsContact C-N 3.33Å; K450-L453 PolarHBondContact O-N 3.48Å; K450-D454 PolarHBondContact O-N 3.16Å
451	I	98.5	Very high	97.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-48.5	171.4	-67.3	166.8	0	0	0	109.6	V396 E447 G448 L453 D454 V455 T475 R478 I479 L482	V396-I451 HydrophobicContact CG1-CB 4.15Å; V396-I451 HydrophobicContact CG1-CG2 4.01Å; E447-I451 WeakPolarHBondContact O-CG1 3.48Å; E447-I451 PolarHBondContact O-N 3.31Å; G448-I451 PolarHBondContact O-N 3.19Å; I451-L453 VanDerWaalsContact C-N 3.31Å; I451-L453 PolarHBondContact O-N 3.4Å; I451-D454 PolarHBondContact O-N 3.02Å; I451-V455 HydrophobicContact CG2-CG2 4.45Å; I451-V455 WeakPolarHBondContact O-CG2 3.25Å; I451-V455 PolarHBondContact O-N 3.26Å; I451-T475 HydrophobicContact CG2-CG2 4.27Å; I451-R478 HydrophobicContact CD1-CB 4.27Å; I451-I479 HydrophobicContact CD1-CG1 4.45Å; I451-I479 HydrophobicContact CG2-CD1 4.46Å; I451-I479 HydrophobicContact CG2-CG1 4.16Å; I451-L482 HydrophobicContact CD1-CD2 3.92Å
452	A	97.9	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-35.8	-179	0	0	0	0	0	112.7	I388 V396 G448 F449 K450 K456 F465	I388-A452 HydrophobicContact CD1-CB 3.22Å; V396-A452 HydrophobicContact CB-CB 4.12Å; V396-A452 HydrophobicContact CG2-CB 3.62Å; G448-A452 WeakPolarHBondContact O-CB 3.44Å; G448-A452 PolarHBondContact O-N 3.36Å; F449-A452 PolarHBondContact O-N 2.84Å; K450-A452 VanDerWaalsContact C-N 3.33Å; A452-K456 VanDerWaalsContact O-CB 3.29Å; A452-K456 WeakPolarHBondContact O-CB 3.45Å; A452-K456 PolarHBondContact O-N 3.13Å; A452-F465 HydrophobicContact CB-CZ 4.05Å; A452-F465 WeakPolarHBondContact O-CE2 3.23Å
453	L	97.2	Very high	97	Very high	76 Å²	76	52 Å²	52	40%	0.398	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-46.2	175.4	-174.5	63.3	0	0	0	111.7	F449 K450 I451 V455 K456 T457	F449-L453 WeakPolarHBondContact O-CB 3.39Å; F449-L453 PolarHBondContact O-N 2.9Å; K450-L453 PolarHBondContact O-N 3.48Å; I451-L453 VanDerWaalsContact C-N 3.31Å; I451-L453 PolarHBondContact O-N 3.4Å; L453-V455 PolarHBondContact O-N 2.71Å; L453-K456 WeakPolarHBondContact O-CB 3.36Å; L453-K456 PolarHBondContact O-N 2.91Å; L453-T457 WeakPolarHBondContact O-CG2 3.39Å; L453-T457 PolarHBondContact O-N 2.77Å; L453-T457 VanDerWaalsContact O-N 3.13Å
454	D	97.8	Very high	96.9	Very high	42 Å²	42	51.8 Å²	51.8	23%	0.225	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-51	176.4	173.6	52.8	0	0	0	111.3	K450 I451 K456 T457 K458 R478	K450-D454 PolarHBondContact O-N 3.16Å; I451-D454 PolarHBondContact O-N 3.02Å; D454-K456 VanDerWaalsContact C-N 3.27Å; D454-K456 PolarHBondContact O-N 3.45Å; D454-T457 PolarHBondContact O-N 3Å; D454-T457 PolarHBondContact O-OG1 3.15Å; D454-K458 VanDerWaalsContact CG-NZ 3.32Å; D454-K458 PolarHBondContact O-N 3.08Å; D454-K458 WeakPolarHBondContact OD1-CE 3.45Å; D454-K458 IonicContact OD1-NZ 3.6Å; D454-K458 PolarHBondContact OD1-NZ 3.22Å; D454-K458 VanDerWaalsContact OD1-NZ 3.11Å; D454-K458 IonicContact OD2-NZ 3.34Å; D454-K458 PolarHBondContact OD2-NZ 3.36Å; D454-R478 IonicContact OD2-NH1 3.27Å; D454-R478 PolarHBondContact OD2-NH1 3.42Å
455	V	98	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-33.3	178.7	177.8	0	0	0	0	112	I451 L453 T457 K458 T459 F465 F468 L469 T475	I451-V455 HydrophobicContact CG2-CG2 4.45Å; I451-V455 WeakPolarHBondContact O-CG2 3.25Å; I451-V455 PolarHBondContact O-N 3.26Å; L453-V455 PolarHBondContact O-N 2.71Å; V455-T457 VanDerWaalsContact C-N 3.29Å; V455-T457 PolarHBondContact O-N 3.41Å; V455-K458 PolarHBondContact O-N 3.03Å; V455-K458 VanDerWaalsContact O-N 3.13Å; V455-T459 HydrophobicContact CG1-CG2 4.35Å; V455-T459 PolarHBondContact O-N 3.02Å; V455-T459 VanDerWaalsContact O-N 3.16Å; V455-T459 PolarHBondContact O-OG1 3.19Å; V455-F465 HydrophobicContact CB-CD2 4.16Å; V455-F465 HydrophobicContact CB-CE2 3.71Å; V455-F465 HydrophobicContact CB-CZ 4.46Å; V455-F465 HydrophobicContact CG1-CD2 3.56Å; V455-F465 HydrophobicContact CG1-CE2 3.59Å; V455-F465 HydrophobicContact CG1-CG 4.29Å; V455-F465 HydrophobicContact CG1-CZ 4.37Å; V455-F468 HydrophobicContact CB-CD1 4.4Å; V455-F468 HydrophobicContact CG1-CB 4.09Å; V455-F468 HydrophobicContact CG1-CD1 3.6Å; V455-F468 HydrophobicContact CG1-CE1 4.42Å; V455-F468 HydrophobicContact CG1-CG 4.11Å; V455-F468 HydrophobicContact CG2-CD1 4.14Å; V455-F468 HydrophobicContact CG2-CE1 4.39Å; V455-L469 HydrophobicContact CB-CD2 4.29Å; V455-L469 HydrophobicContact CG1-CD2 4.09Å; V455-L469 HydrophobicContact CG1-CG 4.47Å; V455-L469 HydrophobicContact CG2-CD2 3.9Å; V455-T475 HydrophobicContact CG2-CG2 3.55Å
456	K	96.3	Very high	96.8	Very high	67 Å²	67	54.9 Å²	54.9	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-32.8	174.4	-176.6	177.9	177.3	173.8	0	112	G387 A452 L453 D454 K458 T459 F465	G387-K456 WeakPolarHBondContact O-CD 3.32Å; G387-K456 WeakPolarHBondContact O-CE 3.29Å; G387-K456 PolarHBondContact O-NZ 3.32Å; A452-K456 VanDerWaalsContact O-CB 3.29Å; A452-K456 WeakPolarHBondContact O-CB 3.45Å; A452-K456 PolarHBondContact O-N 3.13Å; L453-K456 WeakPolarHBondContact O-CB 3.36Å; L453-K456 PolarHBondContact O-N 2.91Å; D454-K456 VanDerWaalsContact C-N 3.27Å; D454-K456 PolarHBondContact O-N 3.45Å; K456-K458 PolarHBondContact O-N 3.25Å; K456-T459 PolarHBondContact O-N 3.06Å; K456-F465 HydrophobicContact CB-CE2 4.32Å
457	T	96.4	Very high	96.7	Very high	111 Å²	111	57.1 Å²	57.1	68%	0.681	29%	0.292	S	S	*	.	H	α-helix	trans	-68.7	-23.3	174.8	69.6	0	0	0	0	112.9	L453 D454 V455	L453-T457 WeakPolarHBondContact O-CG2 3.39Å; L453-T457 PolarHBondContact O-N 2.77Å; L453-T457 VanDerWaalsContact O-N 3.13Å; D454-T457 PolarHBondContact O-N 3Å; D454-T457 PolarHBondContact O-OG1 3.15Å; V455-T457 VanDerWaalsContact C-N 3.29Å; V455-T457 PolarHBondContact O-N 3.41Å
458	K	96.4	Very high	96.7	Very high	89 Å²	89	56.6 Å²	56.6	39%	0.387	29%	0.289	S	S	.	.	H	α-helix	trans	-94.3	-6.7	-178.3	-60	168.1	-178.5	169.7	0	113.1	D454 V455 K456 F468	D454-K458 VanDerWaalsContact CG-NZ 3.32Å; D454-K458 PolarHBondContact O-N 3.08Å; D454-K458 WeakPolarHBondContact OD1-CE 3.45Å; D454-K458 IonicContact OD1-NZ 3.6Å; D454-K458 PolarHBondContact OD1-NZ 3.22Å; D454-K458 VanDerWaalsContact OD1-NZ 3.11Å; D454-K458 IonicContact OD2-NZ 3.34Å; D454-K458 PolarHBondContact OD2-NZ 3.36Å; V455-K458 PolarHBondContact O-N 3.03Å; V455-K458 VanDerWaalsContact O-N 3.13Å; K456-K458 PolarHBondContact O-N 3.25Å; K458-F468 HydrophobicContact CB-CE1 4.49Å; K458-F468 HydrophobicContact CB-CE2 4.32Å; K458-F468 HydrophobicContact CB-CZ 4.13Å; K458-F468 HydrophobicContact CD-CE1 3.9Å; K458-F468 HydrophobicContact CD-CZ 3.74Å
459	T	96.6	Very high	96.7	Very high	24 Å²	24	56.7 Å²	56.7	15%	0.147	29%	0.289	C	S	.	.			trans	-140.4	152.2	-172.3	59.5	0	0	0	0	112.9	V455 K456 D464 F468	V455-T459 HydrophobicContact CG1-CG2 4.35Å; V455-T459 PolarHBondContact O-N 3.02Å; V455-T459 VanDerWaalsContact O-N 3.16Å; V455-T459 PolarHBondContact O-OG1 3.19Å; K456-T459 PolarHBondContact O-N 3.06Å; T459-D464 HydrophobicContact CG2-CB 4.47Å; T459-F468 HydrophobicContact CG2-CB 3.73Å; T459-F468 HydrophobicContact CG2-CD2 3.94Å; T459-F468 HydrophobicContact CG2-CG 3.87Å
460	A	90.9	Very high	96.6	Very high	82 Å²	82	61.3 Å²	61.3	68%	0.678	31%	0.313	S	S	*	.	S	Bend	trans	-104.1	-61	179.7	0	0	0	0	0	112.6	R392	R392-A460 PolarHBondContact NH2-O 3.4Å
461	K	93.9	Very high	96.5	Very high	149 Å²	149	62.8 Å²	62.8	65%	0.648	32%	0.322	S	S	*	.	S	Bend	trans	-86.1	158.1	-176	-57.6	177	-179.7	174	0	111.3	Q463 D464 F465	K461-Q463 VanDerWaalsContact C-N 3.26Å; K461-Q463 PolarHBondContact O-N 3.31Å; K461-D464 VanDerWaalsContact CB-OD2 3.32Å; K461-D464 WeakPolarHBondContact CB-OD2 3.24Å; K461-D464 PolarHBondContact N-OD2 3.47Å; K461-D464 PolarHBondContact O-N 3.23Å; K461-F465 PolarHBondContact O-N 3.14Å
462	L	93	Very high	96.5	Very high	54 Å²	54	64.5 Å²	64.5	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-33.6	178.4	-177	62.3	0	0	0	112.2	A391 R392 F465 K466	A391-L462 HydrophobicContact CB-CD1 4.34Å; A391-L462 HydrophobicContact CB-CD2 4.16Å; R392-L462 HydrophobicContact CG-CD1 3.75Å; L462-F465 HydrophobicContact CD1-CD1 4.44Å; L462-F465 WeakPolarHBondContact O-CB 3.48Å; L462-K466 WeakPolarHBondContact O-CG 3.42Å; L462-K466 PolarHBondContact O-N 2.92Å
463	Q	95.4	Very high	96.5	Very high	111 Å²	111	69.4 Å²	69.4	52%	0.519	36%	0.363	S	S	.	.	H	α-helix	trans	-67.8	-43.9	177	-170.5	59.9	39.1	0	0	111.6	K461 F465 K466 N467	K461-Q463 VanDerWaalsContact C-N 3.26Å; K461-Q463 PolarHBondContact O-N 3.31Å; Q463-F465 VanDerWaalsContact C-N 3.3Å; Q463-F465 PolarHBondContact O-N 2.91Å; Q463-K466 PolarHBondContact O-N 2.87Å; Q463-N467 PolarHBondContact NE2-OD1 2.74Å; Q463-N467 VanDerWaalsContact NE2-OD1 3.08Å; Q463-N467 PolarHBondContact O-N 3.46Å
464	D	96.7	Very high	96.6	Very high	73 Å²	73	71.4 Å²	71.4	39%	0.39	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-43.8	176.5	-50.7	-28.8	0	0	0	110.3	T459 K461 K466 N467 F468	T459-D464 HydrophobicContact CG2-CB 4.47Å; K461-D464 VanDerWaalsContact CB-OD2 3.32Å; K461-D464 WeakPolarHBondContact CB-OD2 3.24Å; K461-D464 PolarHBondContact N-OD2 3.47Å; K461-D464 PolarHBondContact O-N 3.23Å; D464-K466 PolarHBondContact O-N 3.4Å; D464-N467 PolarHBondContact O-N 3Å; D464-F468 VanDerWaalsContact O-CB 3.31Å; D464-F468 WeakPolarHBondContact O-CB 3.42Å; D464-F468 PolarHBondContact O-N 3.43Å
465	F	97.4	Very high	96.6	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-54.3	-51.2	173.3	-179.4	-89.7	0	0	0	111.8	R392 V396 A452 V455 K456 K461 L462 Q463 N467 F468 L469	R392-F465 HydrophobicContact CB-CD1 4.18Å; R392-F465 HydrophobicContact CB-CE1 3.64Å; R392-F465 HydrophobicContact CB-CE2 4.11Å; R392-F465 HydrophobicContact CB-CZ 3.62Å; R392-F465 HydrophobicContact CG-CD1 3.73Å; R392-F465 HydrophobicContact CG-CD2 4.01Å; R392-F465 HydrophobicContact CG-CE1 3.73Å; R392-F465 HydrophobicContact CG-CE2 4.03Å; R392-F465 HydrophobicContact CG-CG 3.88Å; R392-F465 HydrophobicContact CG-CZ 3.9Å; V396-F465 HydrophobicContact CG2-CE1 4.14Å; V396-F465 HydrophobicContact CG2-CZ 3.87Å; A452-F465 HydrophobicContact CB-CZ 4.05Å; A452-F465 WeakPolarHBondContact O-CE2 3.23Å; V455-F465 HydrophobicContact CB-CD2 4.16Å; V455-F465 HydrophobicContact CB-CE2 3.71Å; V455-F465 HydrophobicContact CB-CZ 4.46Å; V455-F465 HydrophobicContact CG1-CD2 3.56Å; V455-F465 HydrophobicContact CG1-CE2 3.59Å; V455-F465 HydrophobicContact CG1-CG 4.29Å; V455-F465 HydrophobicContact CG1-CZ 4.37Å; K456-F465 HydrophobicContact CB-CE2 4.32Å; K461-F465 PolarHBondContact O-N 3.14Å; L462-F465 HydrophobicContact CD1-CD1 4.44Å; L462-F465 WeakPolarHBondContact O-CB 3.48Å; Q463-F465 VanDerWaalsContact C-N 3.3Å; Q463-F465 PolarHBondContact O-N 2.91Å; F465-N467 VanDerWaalsContact C-N 3.34Å; F465-N467 PolarHBondContact O-N 2.83Å; F465-F468 PolarHBondContact O-N 3.06Å; F465-L469 HydrophobicContact CD1-CD1 4.02Å; F465-L469 HydrophobicContact CD1-CG 4.45Å; F465-L469 HydrophobicContact CE1-CD1 3.59Å; F465-L469 HydrophobicContact CE1-CD2 4.42Å; F465-L469 HydrophobicContact CE1-CG 4.18Å; F465-L469 HydrophobicContact CZ-CD1 4.26Å; F465-L469 HydrophobicContact CZ-CD2 4.3Å; F465-L469 WeakPolarHBondContact O-CG 3.34Å; F465-L469 PolarHBondContact O-N 3.11Å
466	K	97.2	Very high	96.6	Very high	77 Å²	77	71 Å²	71	34%	0.335	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-41	179.9	-74.6	179.8	176.8	-172.8	0	112.9	R395 L462 Q463 D464	R395-K466 HydrophobicContact CG-CG 4.28Å; L462-K466 WeakPolarHBondContact O-CG 3.42Å; L462-K466 PolarHBondContact O-N 2.92Å; Q463-K466 PolarHBondContact O-N 2.87Å; D464-K466 PolarHBondContact O-N 3.4Å
467	N	97.6	Very high	96.7	Very high	61 Å²	61	70.7 Å²	70.7	33%	0.326	38%	0.383	S	S	.	.	H	α-helix	trans	-69	-42.5	178.8	-67.7	-9.2	0	0	0	110.9	Q463 D464 F465 L469 L470 Q471	Q463-N467 PolarHBondContact NE2-OD1 2.74Å; Q463-N467 VanDerWaalsContact NE2-OD1 3.08Å; Q463-N467 PolarHBondContact O-N 3.46Å; D464-N467 PolarHBondContact O-N 3Å; F465-N467 VanDerWaalsContact C-N 3.34Å; F465-N467 PolarHBondContact O-N 2.83Å; N467-L469 VanDerWaalsContact C-N 3.32Å; N467-L469 PolarHBondContact O-N 3.37Å; N467-L470 PolarHBondContact O-N 3.48Å; N467-Q471 WeakPolarHBondContact O-CB 3.45Å; N467-Q471 WeakPolarHBondContact O-CG 3.4Å; N467-Q471 PolarHBondContact O-N 2.67Å
468	F	98.2	Very high	96.8	Very high	52 Å²	52	69.3 Å²	69.3	23%	0.228	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-41.7	-179.8	-164.7	-81.8	0	0	0	112	V455 K458 T459 D464 F465 L470 Q471 D472	V455-F468 HydrophobicContact CB-CD1 4.4Å; V455-F468 HydrophobicContact CG1-CB 4.09Å; V455-F468 HydrophobicContact CG1-CD1 3.6Å; V455-F468 HydrophobicContact CG1-CE1 4.42Å; V455-F468 HydrophobicContact CG1-CG 4.11Å; V455-F468 HydrophobicContact CG2-CD1 4.14Å; V455-F468 HydrophobicContact CG2-CE1 4.39Å; K458-F468 HydrophobicContact CB-CE1 4.49Å; K458-F468 HydrophobicContact CB-CE2 4.32Å; K458-F468 HydrophobicContact CB-CZ 4.13Å; K458-F468 HydrophobicContact CD-CE1 3.9Å; K458-F468 HydrophobicContact CD-CZ 3.74Å; T459-F468 HydrophobicContact CG2-CB 3.73Å; T459-F468 HydrophobicContact CG2-CD2 3.94Å; T459-F468 HydrophobicContact CG2-CG 3.87Å; D464-F468 VanDerWaalsContact O-CB 3.31Å; D464-F468 WeakPolarHBondContact O-CB 3.42Å; D464-F468 PolarHBondContact O-N 3.43Å; F465-F468 PolarHBondContact O-N 3.06Å; F468-L470 PolarHBondContact O-N 3.13Å; F468-Q471 PolarHBondContact O-N 3.03Å; F468-D472 HydrophobicContact CD1-CB 3.69Å; F468-D472 HydrophobicContact CD2-CB 4.47Å; F468-D472 HydrophobicContact CE1-CB 3.35Å; F468-D472 VanDerWaalsContact CE1-CG 3.46Å; F468-D472 HydrophobicContact CE2-CB 4.17Å; F468-D472 HydrophobicContact CG-CB 4.25Å; F468-D472 HydrophobicContact CZ-CB 3.6Å; F468-D472 WeakPolarHBondContact O-CB 3.42Å; F468-D472 PolarHBondContact O-N 3.43Å
469	L	98.1	Very high	97	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-54.2	-27.2	175.7	-67	174.2	0	0	0	113.9	R395 V396 L399 V455 F465 N467 T475 I479	R395-L469 HydrophobicContact CG-CD1 3.72Å; V396-L469 HydrophobicContact CG2-CD1 3.8Å; V396-L469 HydrophobicContact CG2-CD2 3.63Å; V396-L469 HydrophobicContact CG2-CG 4.39Å; L399-L469 HydrophobicContact CD1-CB 3.92Å; L399-L469 HydrophobicContact CD1-CD1 3.94Å; L399-L469 HydrophobicContact CD1-CG 4.49Å; V455-L469 HydrophobicContact CB-CD2 4.29Å; V455-L469 HydrophobicContact CG1-CD2 4.09Å; V455-L469 HydrophobicContact CG1-CG 4.47Å; V455-L469 HydrophobicContact CG2-CD2 3.9Å; F465-L469 HydrophobicContact CD1-CD1 4.02Å; F465-L469 HydrophobicContact CD1-CG 4.45Å; F465-L469 HydrophobicContact CE1-CD1 3.59Å; F465-L469 HydrophobicContact CE1-CD2 4.42Å; F465-L469 HydrophobicContact CE1-CG 4.18Å; F465-L469 HydrophobicContact CZ-CD1 4.26Å; F465-L469 HydrophobicContact CZ-CD2 4.3Å; F465-L469 WeakPolarHBondContact O-CG 3.34Å; F465-L469 PolarHBondContact O-N 3.11Å; N467-L469 VanDerWaalsContact C-N 3.32Å; N467-L469 PolarHBondContact O-N 3.37Å; L469-T475 HydrophobicContact CD2-CG2 3.98Å; L469-I479 HydrophobicContact CB-CD1 4.19Å; L469-I479 HydrophobicContact CD2-CD1 3.89Å
470	L	97	Very high	97	Very high	102 Å²	102	67.3 Å²	67.3	53%	0.534	37%	0.365	S	S	.	.	H	α-helix	trans	-102.2	-26.1	-175.5	-57.9	178.3	0	0	0	113.1	L399 N467 F468	L399-L470 HydrophobicContact CD1-CD2 4.17Å; L399-L470 HydrophobicContact CD2-CD2 4.12Å; N467-L470 PolarHBondContact O-N 3.48Å; F468-L470 PolarHBondContact O-N 3.13Å
471	Q	96.9	Very high	97.4	Very high	146 Å²	146	67.3 Å²	67.3	68%	0.682	35%	0.354	S	S	*	.	H	α-helix	trans	-102.7	-29.9	-170.1	-68.5	177.6	-11.7	0	0	113.2	N467 F468 P473	N467-Q471 WeakPolarHBondContact O-CB 3.45Å; N467-Q471 WeakPolarHBondContact O-CG 3.4Å; N467-Q471 PolarHBondContact O-N 2.67Å; F468-Q471 PolarHBondContact O-N 3.03Å; Q471-P473 VanDerWaalsContact O-CD 3.31Å; Q471-P473 WeakPolarHBondContact O-CD 3.41Å
472	D	98.2	Very high	97.7	Very high	36 Å²	36	60.2 Å²	60.2	19%	0.193	32%	0.323	C	S	.	.			trans	-75.7	116.8	178.3	178.2	64.4	0	0	0	110.4	F468 E474 T475 A476	F468-D472 HydrophobicContact CD1-CB 3.69Å; F468-D472 HydrophobicContact CD2-CB 4.47Å; F468-D472 HydrophobicContact CE1-CB 3.35Å; F468-D472 VanDerWaalsContact CE1-CG 3.46Å; F468-D472 HydrophobicContact CE2-CB 4.17Å; F468-D472 HydrophobicContact CG-CB 4.25Å; F468-D472 HydrophobicContact CZ-CB 3.6Å; F468-D472 WeakPolarHBondContact O-CB 3.42Å; F468-D472 PolarHBondContact O-N 3.43Å; D472-E474 VanDerWaalsContact C-N 3.32Å; D472-E474 PolarHBondContact O-N 2.82Å; D472-T475 PolarHBondContact O-N 2.77Å; D472-T475 WeakPolarHBondContact OD2-CB 3.47Å; D472-T475 PolarHBondContact OD2-N 3.44Å; D472-T475 PolarHBondContact OD2-OG1 3.3Å; D472-A476 WeakPolarHBondContact O-CB 3.34Å; D472-A476 PolarHBondContact O-N 3.36Å
473	P	98	Very high	97.9	Very high	103 Å²	103	62.3 Å²	62.3	67%	0.669	33%	0.328	S	S	*	.	H	α-helix	trans	-61.7	-36.8	-172.6	-25.4	35.4	0	0	0	113.8	Q471 A477	Q471-P473 VanDerWaalsContact O-CD 3.31Å; Q471-P473 WeakPolarHBondContact O-CD 3.41Å; P473-A477 VanDerWaalsContact O-CB 3.32Å; P473-A477 WeakPolarHBondContact O-CB 3.34Å; P473-A477 PolarHBondContact O-N 3.01Å
474	E	98.1	Very high	98.1	Very high	119 Å²	119	63.4 Å²	63.4	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-67.9	-47.6	179.6	-171.2	-168.5	156	0	0	111	D472 A477 R478	D472-E474 VanDerWaalsContact C-N 3.32Å; D472-E474 PolarHBondContact O-N 2.82Å; E474-A477 PolarHBondContact O-N 2.83Å; E474-R478 WeakPolarHBondContact O-CG 3.41Å; E474-R478 PolarHBondContact O-N 2.9Å
475	T	98.3	Very high	98.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-45.2	176.8	-59.3	0	0	0	0	111.5	I451 V455 L469 D472 A477 R478 I479	I451-T475 HydrophobicContact CG2-CG2 4.27Å; V455-T475 HydrophobicContact CG2-CG2 3.55Å; L469-T475 HydrophobicContact CD2-CG2 3.98Å; D472-T475 PolarHBondContact O-N 2.77Å; D472-T475 WeakPolarHBondContact OD2-CB 3.47Å; D472-T475 PolarHBondContact OD2-N 3.44Å; D472-T475 PolarHBondContact OD2-OG1 3.3Å; T475-A477 VanDerWaalsContact C-N 3.32Å; T475-A477 PolarHBondContact O-N 3.06Å; T475-R478 PolarHBondContact O-N 2.96Å; T475-I479 HydrophobicContact CG2-CD1 3.92Å; T475-I479 WeakPolarHBondContact O-CG1 3.16Å; T475-I479 PolarHBondContact O-N 3.27Å
476	A	98.4	Very high	98.3	Very high	34 Å²	34	63.6 Å²	63.6	28%	0.281	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-39.6	178.3	0	0	0	0	0	111.9	D472 I479 A480	D472-A476 WeakPolarHBondContact O-CB 3.34Å; D472-A476 PolarHBondContact O-N 3.36Å; A476-I479 PolarHBondContact O-N 3.33Å; A476-A480 WeakPolarHBondContact O-CB 3.35Å; A476-A480 PolarHBondContact O-N 3.23Å
477	A	98.5	Very high	98.3	Very high	59 Å²	59	61.2 Å²	61.2	49%	0.488	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-43.8	175.6	0	0	0	0	0	112.3	P473 E474 T475 I479 A480 D481	P473-A477 VanDerWaalsContact O-CB 3.32Å; P473-A477 WeakPolarHBondContact O-CB 3.34Å; P473-A477 PolarHBondContact O-N 3.01Å; E474-A477 PolarHBondContact O-N 2.83Å; T475-A477 VanDerWaalsContact C-N 3.32Å; T475-A477 PolarHBondContact O-N 3.06Å; A477-I479 PolarHBondContact O-N 2.88Å; A477-A480 PolarHBondContact O-N 3.31Å; A477-D481 PolarHBondContact O-N 2.97Å
478	R	98.7	Very high	98.4	Very high	82 Å²	82	60.9 Å²	60.9	31%	0.309	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-41.3	175.6	-71.3	168.3	62.7	-162.6	-0.5	112.3	I451 D454 E474 T475 L482	I451-R478 HydrophobicContact CD1-CB 4.27Å; D454-R478 IonicContact OD2-NH1 3.27Å; D454-R478 PolarHBondContact OD2-NH1 3.42Å; E474-R478 WeakPolarHBondContact O-CG 3.41Å; E474-R478 PolarHBondContact O-N 2.9Å; T475-R478 PolarHBondContact O-N 2.96Å; R478-L482 WeakPolarHBondContact O-CB 3.43Å; R478-L482 PolarHBondContact O-N 2.91Å
479	I	98.8	Very high	98.4	Very high	13 Å²	13	60.6 Å²	60.6	7%	0.067	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-44.6	175.1	-71.6	171.4	0	0	0	110.6	L399 V400 I451 L469 T475 A476 A477 D481 L482 R483	L399-I479 HydrophobicContact CB-CG2 3.75Å; L399-I479 HydrophobicContact CD1-CD1 4.04Å; V400-I479 HydrophobicContact CG1-CB 4.39Å; V400-I479 HydrophobicContact CG1-CG2 3.86Å; I451-I479 HydrophobicContact CD1-CG1 4.45Å; I451-I479 HydrophobicContact CG2-CD1 4.46Å; I451-I479 HydrophobicContact CG2-CG1 4.16Å; L469-I479 HydrophobicContact CB-CD1 4.19Å; L469-I479 HydrophobicContact CD2-CD1 3.89Å; T475-I479 HydrophobicContact CG2-CD1 3.92Å; T475-I479 WeakPolarHBondContact O-CG1 3.16Å; T475-I479 PolarHBondContact O-N 3.27Å; A476-I479 PolarHBondContact O-N 3.33Å; A477-I479 PolarHBondContact O-N 2.88Å; I479-D481 PolarHBondContact O-N 3.04Å; I479-L482 PolarHBondContact O-N 3Å; I479-R483 WeakPolarHBondContact O-CB 3.36Å; I479-R483 PolarHBondContact O-N 2.87Å
480	A	98.7	Very high	98.5	Very high	58 Å²	58	60.5 Å²	60.5	48%	0.479	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-42	179	0	0	0	0	0	112.3	A476 A477 H484	A476-A480 WeakPolarHBondContact O-CB 3.35Å; A476-A480 PolarHBondContact O-N 3.23Å; A477-A480 PolarHBondContact O-N 3.31Å; A480-H484 WeakPolarHBondContact O-CB 3.38Å; A480-H484 PolarHBondContact O-N 3.36Å
481	D	98.8	Very high	98.5	Very high	83 Å²	83	60.7 Å²	60.7	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-51.4	175.2	175.9	76	0	0	0	112	A477 I479 R483 H484 R485	A477-D481 PolarHBondContact O-N 2.97Å; I479-D481 PolarHBondContact O-N 3.04Å; D481-R483 VanDerWaalsContact C-N 3.32Å; D481-R483 PolarHBondContact O-N 3.16Å; D481-H484 WeakPolarHBondContact O-CB 3.41Å; D481-H484 PolarHBondContact O-N 3.36Å; D481-H484 VanDerWaalsContact O-N 3.16Å; D481-R485 PolarHBondContact O-N 2.61Å; D481-R485 IonicContact OD2-CZ 3.42Å; D481-R485 VanDerWaalsContact OD2-CZ 3.28Å; D481-R485 IonicContact OD2-NE 3.17Å; D481-R485 PolarHBondContact OD2-NE 3.04Å; D481-R485 IonicContact OD2-NH2 2.77Å; D481-R485 PolarHBondContact OD2-NH2 3.04Å
482	L	98.9	Very high	98.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.5	-43.6	178.3	177.1	53.8	0	0	0	111.1	V400 F444 E447 I451 R478 I479 H484 R485 V486	V400-L482 HydrophobicContact CB-CD2 4.29Å; V400-L482 HydrophobicContact CB-CG 4Å; V400-L482 HydrophobicContact CG1-CB 4.04Å; V400-L482 HydrophobicContact CG1-CD2 3.95Å; V400-L482 HydrophobicContact CG1-CG 3.89Å; V400-L482 HydrophobicContact CG2-CD2 4.16Å; V400-L482 HydrophobicContact CG2-CG 4.26Å; F444-L482 HydrophobicContact CB-CD1 4.19Å; F444-L482 HydrophobicContact CD1-CD1 3.59Å; F444-L482 HydrophobicContact CE1-CD1 4.41Å; F444-L482 HydrophobicContact CG-CD1 4.29Å; E447-L482 HydrophobicContact CB-CD1 4.45Å; E447-L482 HydrophobicContact CB-CD2 4.08Å; E447-L482 HydrophobicContact CG-CD2 4.08Å; E447-L482 WeakPolarHBondContact OE2-CD1 3.44Å; I451-L482 HydrophobicContact CD1-CD2 3.92Å; R478-L482 WeakPolarHBondContact O-CB 3.43Å; R478-L482 PolarHBondContact O-N 2.91Å; I479-L482 PolarHBondContact O-N 3Å; L482-H484 VanDerWaalsContact C-N 3.33Å; L482-H484 PolarHBondContact O-N 3.45Å; L482-R485 PolarHBondContact O-N 3.3Å; L482-V486 HydrophobicContact CD1-CG2 4.01Å; L482-V486 HydrophobicContact CG-CG2 4.42Å; L482-V486 WeakPolarHBondContact O-CB 3.42Å; L482-V486 VanDerWaalsContact O-CG2 3.32Å; L482-V486 WeakPolarHBondContact O-CG2 3.29Å; L482-V486 PolarHBondContact O-N 3.45Å
483	R	98.9	Very high	98.6	Very high	98 Å²	98	58.8 Å²	58.8	37%	0.37	31%	0.314	S	S	.	.	H	α-helix	trans	-56.8	-46.8	174.7	-175	-177.7	173	167.5	-5.2	111.5	L399 V400 I479 D481 R485 V486 E487	L399-R483 WeakPolarHBondContact O-CD 3.45Å; V400-R483 HydrophobicContact CB-CB 4.27Å; V400-R483 HydrophobicContact CG1-CB 4.43Å; I479-R483 WeakPolarHBondContact O-CB 3.36Å; I479-R483 PolarHBondContact O-N 2.87Å; D481-R483 VanDerWaalsContact C-N 3.32Å; D481-R483 PolarHBondContact O-N 3.16Å; R483-R485 VanDerWaalsContact C-N 3.35Å; R483-R485 PolarHBondContact O-N 3.03Å; R483-V486 PolarHBondContact O-N 3.04Å; R483-E487 HydrophobicContact CG-CG 4.32Å; R483-E487 IonicContact CZ-OE1 3.6Å; R483-E487 IonicContact NE-OE1 3.63Å; R483-E487 PolarHBondContact NE-OE1 3.3Å; R483-E487 IonicContact NH2-OE1 3.11Å; R483-E487 PolarHBondContact NH2-OE1 3.31Å; R483-E487 VanDerWaalsContact NH2-OE1 3.16Å; R483-E487 WeakPolarHBondContact O-CB 3.38Å; R483-E487 WeakPolarHBondContact O-CG 3.29Å; R483-E487 PolarHBondContact O-N 3.17Å
484	H	98.8	Very high	98.7	Very high	134 Å²	134	56.8 Å²	56.8	62%	0.62	30%	0.301	S	S	*	.	H	α-helix	trans	-60.1	-45.3	179.4	176.2	-90.3	0	0	0	111.4	A480 D481 L482 E487 A488	A480-H484 WeakPolarHBondContact O-CB 3.38Å; A480-H484 PolarHBondContact O-N 3.36Å; D481-H484 WeakPolarHBondContact O-CB 3.41Å; D481-H484 PolarHBondContact O-N 3.36Å; D481-H484 VanDerWaalsContact O-N 3.16Å; L482-H484 VanDerWaalsContact C-N 3.33Å; L482-H484 PolarHBondContact O-N 3.45Å; H484-E487 PolarHBondContact O-N 3.31Å; H484-A488 VanDerWaalsContact O-CB 3.22Å; H484-A488 WeakPolarHBondContact O-CB 3.37Å; H484-A488 PolarHBondContact O-N 3Å
485	R	98.8	Very high	98.7	Very high	76 Å²	76	52.8 Å²	52.8	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-42	176.5	-72.3	-176	-75.4	121.4	-3.2	112.7	F444 E447 D481 L482 R483 A488 F489	F444-R485 HydrophobicContact CE1-CB 3.98Å; F444-R485 HydrophobicContact CZ-CB 4.46Å; E447-R485 IonicContact OE1-CZ 3.32Å; E447-R485 IonicContact OE1-NH1 2.64Å; E447-R485 IonicContact OE1-NH2 2.75Å; E447-R485 PolarHBondContact OE1-NH2 2.65Å; E447-R485 IonicContact OE2-CZ 3.07Å; E447-R485 IonicContact OE2-NH1 3.52Å; E447-R485 PolarHBondContact OE2-NH1 3.09Å; E447-R485 IonicContact OE2-NH2 3.5Å; E447-R485 PolarHBondContact OE2-NH2 3.39Å; D481-R485 PolarHBondContact O-N 2.61Å; D481-R485 IonicContact OD2-CZ 3.42Å; D481-R485 VanDerWaalsContact OD2-CZ 3.28Å; D481-R485 IonicContact OD2-NE 3.17Å; D481-R485 PolarHBondContact OD2-NE 3.04Å; D481-R485 IonicContact OD2-NH2 2.77Å; D481-R485 PolarHBondContact OD2-NH2 3.04Å; L482-R485 PolarHBondContact O-N 3.3Å; R483-R485 VanDerWaalsContact C-N 3.35Å; R483-R485 PolarHBondContact O-N 3.03Å; R485-A488 PolarHBondContact O-N 3.26Å; R485-F489 VanDerWaalsContact O-CB 3.32Å; R485-F489 WeakPolarHBondContact O-CB 3.44Å; R485-F489 PolarHBondContact O-N 3.41Å
486	V	98.9	Very high	98.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-49.1	175.9	167.3	0	0	0	0	110.9	L69 V400 I402 F444 L482 R483 A488 F489 A490	L69-V486 HydrophobicContact CD1-CG1 3.72Å; L69-V486 HydrophobicContact CG-CG1 3.86Å; V400-V486 WeakPolarHBondContact O-CB 3.5Å; V400-V486 VanDerWaalsContact O-CG1 3.26Å; V400-V486 WeakPolarHBondContact O-CG1 3.2Å; I402-V486 HydrophobicContact CD1-CG2 4.08Å; I402-V486 HydrophobicContact CG1-CG1 4.02Å; I402-V486 HydrophobicContact CG1-CG2 4.25Å; F444-V486 HydrophobicContact CB-CG2 3.88Å; F444-V486 HydrophobicContact CD1-CG2 3.93Å; F444-V486 HydrophobicContact CD2-CG2 3.96Å; F444-V486 HydrophobicContact CE1-CG2 4.41Å; F444-V486 HydrophobicContact CE2-CG2 4.44Å; F444-V486 HydrophobicContact CG-CG2 3.67Å; L482-V486 HydrophobicContact CD1-CG2 4.01Å; L482-V486 HydrophobicContact CG-CG2 4.42Å; L482-V486 WeakPolarHBondContact O-CB 3.42Å; L482-V486 VanDerWaalsContact O-CG2 3.32Å; L482-V486 WeakPolarHBondContact O-CG2 3.29Å; L482-V486 PolarHBondContact O-N 3.45Å; R483-V486 PolarHBondContact O-N 3.04Å; V486-A488 PolarHBondContact O-N 3.37Å; V486-F489 PolarHBondContact O-N 3Å; V486-A490 WeakPolarHBondContact O-CB 3.21Å; V486-A490 PolarHBondContact O-N 3.02Å
487	E	98.9	Very high	98.7	Very high	28 Å²	28	53.6 Å²	53.6	13%	0.131	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-40.6	-180	-69.3	-171.8	-170.3	0	0	111.7	R67 S401 R483 H484 F489 A490 R491	R67-E487 HydrophobicContact CB-CB 4.22Å; R67-E487 HydrophobicContact CB-CG 3.94Å; R67-E487 HydrophobicContact CG-CG 3.95Å; R67-E487 IonicContact NE-OE1 2.83Å; R67-E487 WeakPolarHBondContact O-CA 3.46Å; S401-E487 PolarHBondContact OG-OE1 3.22Å; R483-E487 HydrophobicContact CG-CG 4.32Å; R483-E487 IonicContact CZ-OE1 3.6Å; R483-E487 IonicContact NE-OE1 3.63Å; R483-E487 PolarHBondContact NE-OE1 3.3Å; R483-E487 IonicContact NH2-OE1 3.11Å; R483-E487 PolarHBondContact NH2-OE1 3.31Å; R483-E487 VanDerWaalsContact NH2-OE1 3.16Å; R483-E487 WeakPolarHBondContact O-CB 3.38Å; R483-E487 WeakPolarHBondContact O-CG 3.29Å; R483-E487 PolarHBondContact O-N 3.17Å; H484-E487 PolarHBondContact O-N 3.31Å; E487-F489 VanDerWaalsContact C-N 3.29Å; E487-F489 PolarHBondContact O-N 3.21Å; E487-A490 PolarHBondContact O-N 2.67Å; E487-R491 WeakPolarHBondContact O-CB 3.37Å; E487-R491 WeakPolarHBondContact O-CG 3.39Å; E487-R491 PolarHBondContact O-N 2.93Å; E487-R491 IonicContact OE2-NH2 3.72Å; E487-R491 PolarHBondContact OE2-NH2 3.08Å
488	A	98.8	Very high	98.7	Very high	53 Å²	53	53 Å²	53	44%	0.438	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-35.1	175.2	0	0	0	0	0	112.3	H484 R485 V486 P492	H484-A488 VanDerWaalsContact O-CB 3.22Å; H484-A488 WeakPolarHBondContact O-CB 3.37Å; H484-A488 PolarHBondContact O-N 3Å; R485-A488 PolarHBondContact O-N 3.26Å; V486-A488 PolarHBondContact O-N 3.37Å; A488-P492 WeakPolarHBondContact O-CD 3.2Å
489	F	98.9	Very high	98.5	Very high	46 Å²	46	54.8 Å²	54.8	20%	0.202	30%	0.298	C	S	.	.	H	α-helix	trans	-72.2	-41	174.7	177.7	-110.2	0	0	0	112.5	L69 F433 D437 Q440 V441 F444 R485 V486 E487 P492 F493	L69-F489 HydrophobicContact CD1-CD1 4.48Å; L69-F489 HydrophobicContact CD2-CD1 4.2Å; L69-F489 HydrophobicContact CD2-CE1 4.39Å; F433-F489 HydrophobicContact CE1-CD1 4.46Å; F433-F489 AromaticContact CE1-CE1 3.66Å; F433-F489 HydrophobicContact CE1-CE1 3.66Å; F433-F489 HydrophobicContact CE1-CZ 4.23Å; F433-F489 HydrophobicContact CZ-CE1 4.29Å; D437-F489 HydrophobicContact CB-CZ 4.02Å; Q440-F489 HydrophobicContact CB-CE1 4.41Å; Q440-F489 HydrophobicContact CB-CE2 4.33Å; Q440-F489 HydrophobicContact CB-CZ 3.93Å; Q440-F489 HydrophobicContact CG-CD2 4.24Å; Q440-F489 HydrophobicContact CG-CE1 4.12Å; Q440-F489 HydrophobicContact CG-CE2 3.86Å; Q440-F489 HydrophobicContact CG-CZ 3.79Å; V441-F489 HydrophobicContact CG2-CE1 4.29Å; F444-F489 HydrophobicContact CD2-CD1 4.42Å; F444-F489 HydrophobicContact CE2-CB 3.89Å; F444-F489 AromaticContact CE2-CD1 3.64Å; F444-F489 HydrophobicContact CE2-CD1 3.64Å; F444-F489 HydrophobicContact CE2-CE1 4.29Å; F444-F489 AromaticContact CE2-CG 3.79Å; F444-F489 HydrophobicContact CE2-CG 3.79Å; F444-F489 HydrophobicContact CZ-CB 4.06Å; F444-F489 HydrophobicContact CZ-CG 4.3Å; R485-F489 VanDerWaalsContact O-CB 3.32Å; R485-F489 WeakPolarHBondContact O-CB 3.44Å; R485-F489 PolarHBondContact O-N 3.41Å; V486-F489 PolarHBondContact O-N 3Å; E487-F489 VanDerWaalsContact C-N 3.29Å; E487-F489 PolarHBondContact O-N 3.21Å; F489-P492 WeakPolarHBondContact O-CD 3.31Å; F489-F493 HydrophobicContact CD2-CE2 4.47Å; F489-F493 HydrophobicContact CE1-CE2 4.36Å; F489-F493 HydrophobicContact CE2-CE2 4.14Å; F489-F493 HydrophobicContact CE2-CZ 4.37Å; F489-F493 HydrophobicContact CZ-CE2 4.08Å; F489-F493 HydrophobicContact CZ-CZ 4.19Å; F489-F493 VanDerWaalsContact O-CD2 3.27Å; F489-F493 WeakPolarHBondContact O-CD2 3.31Å; F489-F493 WeakPolarHBondContact O-CE2 3.32Å
490	A	98.8	Very high	98.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-76.4	-35.8	-175.2	0	0	0	0	0	113.8	R67 L69 R431 V486 E487 F493	R67-A490 WeakPolarHBondContact O-CB 3.35Å; L69-A490 HydrophobicContact CD2-CB 3.94Å; L69-A490 HydrophobicContact CG-CB 4.38Å; R431-A490 PolarHBondContact NH2-O 3.08Å; V486-A490 WeakPolarHBondContact O-CB 3.21Å; V486-A490 PolarHBondContact O-N 3.02Å; E487-A490 PolarHBondContact O-N 2.67Å; A490-F493 PolarHBondContact O-N 2.78Å
491	R	98.5	Very high	98	Very high	107 Å²	107	59.2 Å²	59.2	40%	0.404	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-39.1	-172.7	-78.5	174.6	-173.9	-72.5	1.5	115.6	D63 R67 E487 F493	D63-R491 IonicContact OD1-CZ 2.83Å; D63-R491 IonicContact OD1-NH1 3.75Å; D63-R491 PolarHBondContact OD1-NH1 2.86Å; D63-R491 IonicContact OD1-NH2 2.81Å; D63-R491 PolarHBondContact OD1-NH2 2.88Å; D63-R491 IonicContact OD2-NH2 3.58Å; R67-R491 HydrophobicContact CB-CG 4.17Å; R67-R491 VanDerWaalsContact CB-CZ 3.42Å; R67-R491 VanDerWaalsContact CD-NH2 3.3Å; E487-R491 WeakPolarHBondContact O-CB 3.37Å; E487-R491 WeakPolarHBondContact O-CG 3.39Å; E487-R491 PolarHBondContact O-N 2.93Å; E487-R491 IonicContact OE2-NH2 3.72Å; E487-R491 PolarHBondContact OE2-NH2 3.08Å; R491-F493 PolarHBondContact O-N 2.97Å
492	P	98.6	Very high	98	Very high	105 Å²	105	58 Å²	58	68%	0.682	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.4	179.9	-26.1	35.9	0	0	0	114.5	A488 F489	A488-P492 WeakPolarHBondContact O-CD 3.2Å; F489-P492 WeakPolarHBondContact O-CD 3.31Å
493	F	98.8	Very high	97.9	Very high	36 Å²	36	61.1 Å²	61.1	16%	0.158	32%	0.32	C	S	.	.	S	Bend	trans	-75	139.4	-178.9	-69.2	-92.5	0	0	0	111.8	R431 F433 D437 F489 A490 R491	R431-F493 HydrophobicContact CB-CB 4.24Å; R431-F493 PolarHBondContact NH2-O 3.15Å; R431-F493 WeakPolarHBondContact O-CD1 3.32Å; F433-F493 HydrophobicContact CD1-CE1 4.44Å; F433-F493 HydrophobicContact CD1-CZ 4.35Å; F433-F493 HydrophobicContact CD2-CB 4.21Å; F433-F493 AromaticContact CD2-CD1 3.38Å; F433-F493 HydrophobicContact CD2-CD1 3.38Å; F433-F493 HydrophobicContact CD2-CD2 4.21Å; F433-F493 AromaticContact CD2-CE1 3.66Å; F433-F493 HydrophobicContact CD2-CE1 3.66Å; F433-F493 HydrophobicContact CD2-CE2 4.44Å; F433-F493 AromaticContact CD2-CG 3.69Å; F433-F493 HydrophobicContact CD2-CG 3.69Å; F433-F493 HydrophobicContact CD2-CZ 4.19Å; F433-F493 HydrophobicContact CE1-CD2 4.4Å; F433-F493 HydrophobicContact CE1-CE2 4.09Å; F433-F493 HydrophobicContact CE1-CZ 4.19Å; F433-F493 HydrophobicContact CE2-CB 3.58Å; F433-F493 AromaticContact CE2-CD1 3.41Å; F433-F493 HydrophobicContact CE2-CD1 3.41Å; F433-F493 VanDerWaalsContact CE2-CD1 3.41Å; F433-F493 AromaticContact CE2-CD2 3.39Å; F433-F493 HydrophobicContact CE2-CD2 3.39Å; F433-F493 AromaticContact CE2-CE1 3.84Å; F433-F493 HydrophobicContact CE2-CE1 3.84Å; F433-F493 AromaticContact CE2-CE2 3.83Å; F433-F493 HydrophobicContact CE2-CE2 3.83Å; F433-F493 AromaticContact CE2-CG 3.15Å; F433-F493 HydrophobicContact CE2-CG 3.15Å; F433-F493 HydrophobicContact CE2-CZ 4.04Å; F433-F493 HydrophobicContact CG-CD1 4.18Å; F433-F493 AromaticContact CG-CE1 3.98Å; F433-F493 HydrophobicContact CG-CE1 3.98Å; F433-F493 HydrophobicContact CG-CZ 4.34Å; F433-F493 HydrophobicContact CZ-CB 4.44Å; F433-F493 HydrophobicContact CZ-CD1 4.19Å; F433-F493 AromaticContact CZ-CD2 3.49Å; F433-F493 HydrophobicContact CZ-CD2 3.49Å; F433-F493 VanDerWaalsContact CZ-CD2 3.49Å; F433-F493 HydrophobicContact CZ-CE1 4.29Å; F433-F493 AromaticContact CZ-CE2 3.61Å; F433-F493 HydrophobicContact CZ-CE2 3.61Å; F433-F493 AromaticContact CZ-CG 3.8Å; F433-F493 HydrophobicContact CZ-CG 3.8Å; F433-F493 HydrophobicContact CZ-CZ 4.01Å; D437-F493 HydrophobicContact CB-CZ 4.29Å; D437-F493 WeakPolarHBondContact OD1-CZ 3.16Å; F489-F493 HydrophobicContact CD2-CE2 4.47Å; F489-F493 HydrophobicContact CE1-CE2 4.36Å; F489-F493 HydrophobicContact CE2-CE2 4.14Å; F489-F493 HydrophobicContact CE2-CZ 4.37Å; F489-F493 HydrophobicContact CZ-CE2 4.08Å; F489-F493 HydrophobicContact CZ-CZ 4.19Å; F489-F493 VanDerWaalsContact O-CD2 3.27Å; F489-F493 WeakPolarHBondContact O-CD2 3.31Å; F489-F493 WeakPolarHBondContact O-CE2 3.32Å; A490-F493 PolarHBondContact O-N 2.78Å; R491-F493 PolarHBondContact O-N 2.97Å
494	P	98.6	Very high	97.9	Very high	61 Å²	61	59 Å²	59	40%	0.396	32%	0.317	S	S	.	.			trans	-61.3	153.9	-179.4	25.8	-34.4	0	0	0	112.2	R431 Q432	R431-P494 WeakPolarHBondContact CA-O 3.5Å; R431-P494 WeakPolarHBondContact CB-O 3.39Å; R431-P494 VanDerWaalsContact CG-O 3.29Å; R431-P494 WeakPolarHBondContact CG-O 3.47Å; R431-P494 PolarHBondContact NE-O 3.07Å; R431-P494 VanDerWaalsContact NE-O 3.17Å; R431-P494 WeakPolarHBondContact O-CD 3.48Å; Q432-P494 HydrophobicContact CB-CG 4.32Å; Q432-P494 VanDerWaalsContact CD-CG 3.46Å; Q432-P494 HydrophobicContact CG-CG 3.85Å
495	M	98.6	Very high	97.8	Very high	36 Å²	36	54.6 Å²	54.6	18%	0.177	30%	0.3	C	S	.	.			trans	-120.9	117.3	177.5	179.9	55	75	0	0	110.2	Q65 F77 R431	Q65-M495 HydrophobicContact CB-CE 3.85Å; Q65-M495 WeakPolarHBondContact O-CE 3.41Å; F77-M495 HydrophobicContact CB-SD 4.25Å; F77-M495 HydrophobicContact CD1-CE 4.26Å; F77-M495 HydrophobicContact CD1-SD 3.6Å; F77-M495 HydrophobicContact CD2-CE 4.48Å; F77-M495 HydrophobicContact CD2-SD 3.97Å; F77-M495 HydrophobicContact CE1-CE 3.9Å; F77-M495 HydrophobicContact CE1-SD 3.88Å; F77-M495 HydrophobicContact CE2-CE 4.14Å; F77-M495 HydrophobicContact CE2-SD 4.22Å; F77-M495 HydrophobicContact CG-SD 3.66Å; F77-M495 HydrophobicContact CZ-CE 3.84Å; F77-M495 HydrophobicContact CZ-SD 4.18Å; R431-M495 HydrophobicContact CG-CE 4.41Å
496	P	98.7	Very high	97.8	Very high	34 Å²	34	53.3 Å²	53.3	22%	0.221	30%	0.3	C	S	.	.	S	Bend	trans	-59.5	150.2	170	-23.4	34.6	0	0	0	112.5	F77	F77-P496 HydrophobicContact CB-CB 3.89Å; F77-P496 HydrophobicContact CB-CG 3.85Å
497	G	98.3	Very high	97.7	Very high	16 Å²	16	56.8 Å²	56.8	17%	0.165	32%	0.321	C	S	.	.	S	Bend	trans	110.2	-158.1	178.3	0	0	0	0	0	112.8
498	F	98.1	Very high	97.6	Very high	46 Å²	46	58.9 Å²	58.9	20%	0.202	33%	0.334	C	S	.	.			trans	-73.8	163.9	174	-63.4	-76	0	0	0	111.2	K62 R80 L83 E84 H501	K62-F498 WeakPolarHBondContact CE-O 3.33Å; K62-F498 PolarHBondContact NZ-O 2.84Å; R80-F498 HydrophobicContact CG-CD1 4.03Å; R80-F498 HydrophobicContact CG-CE1 3.84Å; R80-F498 HydrophobicContact CG-CZ 4.27Å; L83-F498 HydrophobicContact CB-CD2 4.5Å; L83-F498 HydrophobicContact CB-CE2 3.73Å; L83-F498 HydrophobicContact CB-CZ 4.39Å; L83-F498 HydrophobicContact CD1-CD2 4.33Å; L83-F498 HydrophobicContact CD1-CE2 4.36Å; E84-F498 HydrophobicContact CG-CE1 3.93Å; E84-F498 HydrophobicContact CG-CZ 3.67Å; F498-H501 AromaticContact CD1-CE1 3.93Å; F498-H501 AromaticContact CD2-CD2 3.97Å; F498-H501 AromaticContact CD2-CE1 3.73Å; F498-H501 AromaticContact CD2-NE2 3.31Å; F498-H501 VanDerWaalsContact CD2-NE2 3.31Å; F498-H501 WeakPolarHBondContact CD2-NE2 3.49Å; F498-H501 AromaticContact CE2-NE2 3.8Å; F498-H501 AromaticContact CG-CE1 3.45Å; F498-H501 VanDerWaalsContact CG-CE1 3.45Å; F498-H501 WeakPolarHBondContact CG-CE1 3.41Å; F498-H501 AromaticContact CG-NE2 3.57Å
499	C	95	Very high	97.5	Very high	121 Å²	121	59.3 Å²	59.3	82%	0.818	33%	0.326	S	S	*	.	S	Bend	trans	-80.3	-30.5	-176.5	-63.1	0	0	0	0	112.7
500	D	91.9	Very high	97.4	Very high	84 Å²	84	60.4 Å²	60.4	45%	0.449	34%	0.336	S	S	.	.			trans	-119.6	-9.8	-164.4	55.5	-9.8	0	0	0	114.5	W55 R59	W55-D500 HydrophobicContact CH2-CB 4.26Å; W55-D500 HydrophobicContact CZ2-CB 4.34Å; R59-D500 WeakPolarHBondContact CG-O 3.37Å
501	H	95	Very high	97.3	Very high	79 Å²	79	65.9 Å²	65.9	37%	0.366	37%	0.367	S	S	.	.			trans	-146.3	0	177.6	61.7	-74.6	0	0	0	113.6	W55 L58 K62 F498	W55-H501 HydrophobicContact CH2-CB 4.01Å; W55-H501 AromaticContact CH2-ND1 3.83Å; W55-H501 HydrophobicContact CZ3-CB 3.7Å; W55-H501 AromaticContact CZ3-CG 3.84Å; W55-H501 AromaticContact CZ3-ND1 3.9Å; L58-H501 HydrophobicContact CB-CB 4.07Å; L58-H501 HydrophobicContact CD1-CB 4.31Å; K62-H501 PolarHBondContact NZ-O 3.14Å; F498-H501 AromaticContact CD1-CE1 3.93Å; F498-H501 AromaticContact CD2-CD2 3.97Å; F498-H501 AromaticContact CD2-CE1 3.73Å; F498-H501 AromaticContact CD2-NE2 3.31Å; F498-H501 VanDerWaalsContact CD2-NE2 3.31Å; F498-H501 WeakPolarHBondContact CD2-NE2 3.49Å; F498-H501 AromaticContact CE2-NE2 3.8Å; F498-H501 AromaticContact CG-CE1 3.45Å; F498-H501 VanDerWaalsContact CG-CE1 3.45Å; F498-H501 WeakPolarHBondContact CG-CE1 3.41Å; F498-H501 AromaticContact CG-NE2 3.57Å

Retrieved 501 of 501 residues in 1621.6 ms (Link to these results)

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