A0A096MR34_PAPAN Loading...

Arylsulfatase family member I

AlphaFold DB , UniProt , Accession A0A096MR34, Species PAPAN (Papio anubis, Olive baboon), Gene ARSI, Length 569 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	31.9	Very low	239 Å²	239	143.5 Å²	143.5	100%	1.177	83%	0.826	S	S	*	*				0	139.4	0	-76.3	176.4	-174.5	0	0	107.8
2	H	32.5	Very low	31.8	Very low	192 Å²	192	144.8 Å²	144.8	89%	0.889	83%	0.827	S	S	*	*			trans	-24.4	158.4	178	-54.8	-62	0	0	0	117.8
3	A	33.6	Very low	31.8	Very low	77 Å²	77	147.1 Å²	147.1	64%	0.636	83%	0.834	S	S	*	*			cis	180	155.8	-16.6	0	0	0	0	0	105.9
4	L	33.6	Very low	31.8	Very low	157 Å²	157	144.1 Å²	144.1	82%	0.822	83%	0.827	S	S	*	*			trans	66.2	113.2	152	-69.6	157.6	0	0	0	119.9
5	T	35.4	Very low	31.7	Very low	144 Å²	144	149.3 Å²	149.3	88%	0.883	84%	0.837	S	S	*	*				167.5	138.5	100.1	37.1	0	0	0	0	110
6	G	32.8	Very low	31.5	Very low	79 Å²	79	143.3 Å²	143.3	81%	0.814	82%	0.819	S	S	*	*			trans	165.4	77.5	175.6	0	0	0	0	0	112.5
7	F	31.8	Very low	31.5	Very low	222 Å²	222	148.1 Å²	148.1	97%	0.974	82%	0.823	S	S	*	*			trans	-93.5	144.5	171.6	-101.9	-85.2	0	0	0	110.7
8	S	30.5	Very low	31.5	Very low	92 Å²	92	147.6 Å²	147.6	64%	0.643	82%	0.817	S	S	*	*			trans	-121	137	-176.1	-169.6	0	0	0	0	111.6
9	L	30.4	Very low	31.5	Very low	149 Å²	149	145.8 Å²	145.8	78%	0.78	82%	0.817	S	S	*	*			trans	65	118.5	146.8	-70.3	160.9	0	0	0	122.6
10	V	29.9	Very low	31.5	Very low	124 Å²	124	150 Å²	150	75%	0.752	82%	0.819	S	S	*	*				73.6	116.3	128.5	-177.9	0	0	0	0	119.1
11	S	27.8	Very low	31.3	Very low	103 Å²	103	150.9 Å²	150.9	72%	0.72	82%	0.823	S	S	*	*				177.1	160.5	107.9	-159.5	0	0	0	0	112.9
12	L	30.7	Very low	31.2	Very low	160 Å²	160	150.6 Å²	150.6	84%	0.838	81%	0.809	S	S	*	*			trans	89.3	90.8	164	-65.4	158.8	0	0	0	118.3
13	L	31.5	Very low	31.2	Very low	174 Å²	174	145.8 Å²	145.8	91%	0.911	80%	0.803	S	S	*	*			trans	-70	140	162.7	-83.9	161.9	0	0	0	111.6
14	S	32.2	Very low	31.3	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	81%	0.814	S	S	*	*			trans	-80.1	141.4	-176.5	-23.2	0	0	0	0	111.1
15	F	30.3	Very low	31.3	Very low	221 Å²	221	149.6 Å²	149.6	97%	0.969	81%	0.81	S	S	*	*			trans	-129.1	116.6	155.1	-99.3	-82.1	0	0	0	108.4
16	G	28.9	Very low	31.1	Very low	54 Å²	54	148.5 Å²	148.5	56%	0.557	81%	0.808	S	S	*	*			trans	-122.8	147.5	176.7	0	0	0	0	0	110.5
17	Y	31.5	Very low	31.1	Very low	224 Å²	224	153 Å²	153	88%	0.878	81%	0.812	S	S	*	*			trans	67	150.9	155	-67.4	-94.1	0	0	0	118
18	L	31.3	Very low	31.3	Very low	139 Å²	139	148.5 Å²	148.5	73%	0.728	80%	0.803	S	S	*	*			cis	179.3	122.9	-27.5	-147.5	144.4	0	0	0	103
19	S	30.9	Very low	31.5	Very low	115 Å²	115	148.9 Å²	148.9	80%	0.804	81%	0.811	S	S	*	*			trans	-167.2	119.7	148.8	45.4	0	0	0	0	109.7
20	W	31.1	Very low	31.5	Very low	228 Å²	228	149.3 Å²	149.3	86%	0.864	81%	0.814	S	S	*	*			trans	-97.4	130.9	169.3	-89.1	3.3	0	0	0	107.2
21	D	28.8	Very low	31.8	Very low	169 Å²	169	154.4 Å²	154.4	90%	0.904	82%	0.82	S	S	*	*			trans	-138.9	139.1	157.7	-100.7	-32.1	0	0	0	110.7
22	W	30.8	Very low	32.5	Very low	234 Å²	234	154.3 Å²	154.3	89%	0.886	82%	0.817	S	S	*	*			trans	-85.2	139	-174.1	-77.3	41.4	0	0	0	111.5
23	A	31.7	Very low	32.7	Very low	91 Å²	91	150.4 Å²	150.4	75%	0.752	82%	0.816	S	S	*	*				169.8	114.5	129.7	0	0	0	0	0	114.6
24	K	34.7	Very low	33.1	Very low	202 Å²	202	151.1 Å²	151.1	88%	0.878	82%	0.815	S	S	*	*			trans	74.5	156.2	132.4	-85.2	-173.8	-171.8	-177.5	0	120.3
25	P	35.1	Very low	33.4	Very low	112 Å²	112	150.9 Å²	150.9	73%	0.727	82%	0.819	S	S	*	*				-105.5	152.5	-116.4	13.4	8.1	0	0	0	114	L27	P25-L27 PolarHBondContact O-N 3.09Å
26	S	31.5	Very low	33.8	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-59.6	126.8	173.1	27.7	0	0	0	0	112
27	L	32.7	Very low	34.2	Very low	173 Å²	173	149.3 Å²	149.3	91%	0.906	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-56	127.8	177.9	-68.7	152.8	0	0	0	111.5	P25	P25-L27 PolarHBondContact O-N 3.09Å
28	V	36.2	Very low	34.6	Very low	128 Å²	128	148.3 Å²	148.3	78%	0.776	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-69.7	125.3	159.9	176.3	0	0	0	0	106.7	D30	V28-D30 PolarHBondContact O-N 2.91Å
29	A	33	Very low	35	Very low	99 Å²	99	151.9 Å²	151.9	82%	0.818	83%	0.829	S	S	*	*			trans	-69.2	112.5	172.4	0	0	0	0	0	109.4
30	D	31.7	Very low	35.2	Very low	158 Å²	158	151.8 Å²	151.8	85%	0.845	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.2	129.1	165.3	-80.4	-34.3	0	0	0	109.4	V28	V28-D30 PolarHBondContact O-N 2.91Å
31	W	35.9	Very low	35.8	Very low	231 Å²	231	145.7 Å²	145.7	88%	0.875	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-90	141.1	169.3	-167	-88.3	0	0	0	109.4
32	P	42	Very low	36.6	Very low	101 Å²	101	141 Å²	141	66%	0.656	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-63.5	138.3	-175.6	-11.3	22.1	0	0	0	112.1
33	G	35.7	Very low	37.6	Very low	79 Å²	79	135.1 Å²	135.1	81%	0.814	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.5	132.3	177.5	0	0	0	0	0	112.8
34	E	38.9	Very low	39.2	Very low	189 Å²	189	137 Å²	137	88%	0.883	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-77.7	125.2	166.6	-74	-176	161.6	0	0	109.6
35	A	38.3	Very low	41.6	Very low	100 Å²	100	132 Å²	132	83%	0.826	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-60.3	134.9	168.5	0	0	0	0	0	109.8	E37	A35-E37 PolarHBondContact O-N 3.32Å
36	G	40	Very low	44.4	Very low	81 Å²	81	129 Å²	129	84%	0.835	77%	0.768	S	S	*	*			trans	-68.6	111.2	-174.6	0	0	0	0	0	113.3
37	E	36.7	Very low	47.6	Very low	162 Å²	162	123.8 Å²	123.8	76%	0.757	73%	0.731	S	S	*	*			trans	-79.6	119	148.8	-86.9	-179.4	156.2	0	0	108.6	A35 R39	A35-E37 PolarHBondContact O-N 3.32Å; E37-R39 PolarHBondContact O-N 2.82Å
38	Q	40.1	Very low	50.7	Low	202 Å²	202	115.7 Å²	115.7	94%	0.944	69%	0.689	S	S	*	*			trans	-65.5	83.6	164.8	-80.5	-178.1	-25.5	0	0	109	S40	Q38-S40 PolarHBondContact O-N 3.21Å
39	R	39.7	Very low	53.7	Low	214 Å²	214	109.6 Å²	109.6	81%	0.808	65%	0.652	S	S	*	*			trans	-62.6	123.6	161.7	-73.7	-177.6	177.5	177.4	0.5	107.4	E37 A41	E37-R39 PolarHBondContact O-N 2.82Å; R39-A41 PolarHBondContact O-N 2.91Å; R39-A41 VanDerWaalsContact O-N 3.09Å
40	S	35.5	Very low	56.8	Low	113 Å²	113	104.9 Å²	104.9	79%	0.79	61%	0.613	S	S	*	*			trans	-45.8	120.9	165.1	58.2	0	0	0	0	108.1	Q38 A42	Q38-S40 PolarHBondContact O-N 3.21Å; S40-A42 PolarHBondContact O-N 2.97Å
41	A	42.1	Very low	60	Low	100 Å²	100	97.4 Å²	97.4	83%	0.826	57%	0.573	S	S	*	*			trans	-56.6	111.1	-178.1	0	0	0	0	0	108.3	R39	R39-A41 PolarHBondContact O-N 2.91Å; R39-A41 VanDerWaalsContact O-N 3.09Å
42	A	46.2	Very low	63	Low	72 Å²	72	86.5 Å²	86.5	60%	0.595	53%	0.531	S	S	*	.			trans	-50.8	142.6	166.3	0	0	0	0	0	107.5	S40	S40-A42 PolarHBondContact O-N 2.97Å
43	P	51.6	Low	65.8	Low	110 Å²	110	81.7 Å²	81.7	71%	0.714	50%	0.5	S	S	*	.			trans	-49	133.9	176.3	20	-31	0	0	0	108.7	Q45	P43-Q45 PolarHBondContact O-N 3.48Å
44	P	65.8	Low	68.8	Low	129 Å²	129	77.9 Å²	77.9	84%	0.838	46%	0.461	S	S	*	.			trans	-57.1	115.3	-170.3	20.6	-31.2	0	0	0	109.1
45	Q	84.8	Confident	71.6	Confident	99 Å²	99	68.9 Å²	68.9	46%	0.463	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68.6	136.4	-179.6	-68.2	-156.4	-15.6	0	0	109.6	P43 Q226 N289	P43-Q45 PolarHBondContact O-N 3.48Å; Q45-Q226 PolarHBondContact OE1-O 3.45Å; Q45-N289 PolarHBondContact O-ND2 3.15Å
46	P	94.5	Very high	74.4	Confident	48 Å²	48	64.3 Å²	64.3	31%	0.312	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-51.5	140.5	171.8	-25.2	33.7	0	0	0	110.8	Y140 P228 N289	P46-Y140 HydrophobicContact CB-CE2 3.98Å; P46-Y140 VanDerWaalsContact CB-OH 3.22Å; P46-Y140 WeakPolarHBondContact CB-OH 3.45Å; P46-P228 HydrophobicContact CB-CB 4.34Å; P46-N289 PolarHBondContact O-ND2 2.87Å
47	P	97.8	Very high	77.2	Confident	11 Å²	11	60.5 Å²	60.5	7%	0.071	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-71.2	151	-176.7	30.3	-35.1	0	0	0	111.5	Y140 N289 V291 L333 L357	P47-Y140 VanDerWaalsContact O-CE1 3.24Å; P47-Y140 WeakPolarHBondContact O-CE1 3.44Å; P47-Y140 PolarHBondContact O-OH 2.83Å; P47-N289 CarbonylContact C-O 3.46Å; P47-N289 VanDerWaalsContact CA-O 3.25Å; P47-N289 WeakPolarHBondContact CA-O 3.44Å; P47-N289 WeakPolarHBondContact CB-O 3.49Å; P47-V291 HydrophobicContact CB-CG2 4.04Å; P47-V291 HydrophobicContact CG-CG2 4.25Å; P47-L333 HydrophobicContact CB-CD1 3.6Å; P47-L333 HydrophobicContact CG-CD1 4.48Å; P47-L357 VanDerWaalsContact CD-O 3.29Å; P47-L357 WeakPolarHBondContact CD-O 3.28Å; P47-L357 HydrophobicContact CG-CB 4.27Å; P47-L357 HydrophobicContact CG-CD2 4.47Å
48	H	98.8	Very high	80.1	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.019	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	139.7	162.5	-52.7	-73	0	0	0	109.4	P225 R227 L229 F286 N289 S290 V291	H48-P225 PolarHBondContact CE1-O 3.18Å; H48-P225 VanDerWaalsContact CE1-O 3.29Å; H48-P225 PolarHBondContact NE2-O 2.9Å; H48-R227 PolarHBondContact CE1-O 3.33Å; H48-R227 VanDerWaalsContact CE1-O 3.32Å; H48-L229 CarbonylContact C-O 3.51Å; H48-L229 WeakPolarHBondContact CA-O 3.26Å; H48-L229 HydrophobicContact CB-CD2 4.46Å; H48-L229 HydrophobicContact CB-CG 4.15Å; H48-L229 PolarHBondContact ND1-N 3.22Å; H48-F286 AromaticContact CD2-CD1 3.68Å; H48-F286 AromaticContact CE1-CD1 3.57Å; H48-F286 AromaticContact CE1-CE1 3.78Å; H48-F286 AromaticContact CG-CD1 3.82Å; H48-F286 AromaticContact ND1-CD1 3.75Å; H48-F286 AromaticContact NE2-CD1 3.5Å; H48-N289 PolarHBondContact N-O 2.83Å; H48-S290 CarbonylContact O-C 3.5Å; H48-S290 WeakPolarHBondContact O-CA 3.22Å; H48-V291 PolarHBondContact O-N 3.46Å
49	I	98.9	Very high	82.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.5	-178.1	-61.3	167.6	0	0	0	107.8	L135 Y140 L229 F230 L231 I293 L354	I49-L135 HydrophobicContact CD1-CD1 4.35Å; I49-L135 HydrophobicContact CD1-CD2 4.1Å; I49-Y140 HydrophobicContact CD1-CE1 3.75Å; I49-Y140 HydrophobicContact CG1-CE1 4.02Å; I49-L229 PolarHBondContact N-O 2.84Å; I49-F230 HydrophobicContact CB-CD2 3.91Å; I49-F230 HydrophobicContact CG2-CD2 3.62Å; I49-F230 HydrophobicContact CG2-CE2 3.93Å; I49-F230 CarbonylContact O-C 3.56Å; I49-F230 WeakPolarHBondContact O-CA 3.45Å; I49-L231 PolarHBondContact O-N 3.12Å; I49-I293 HydrophobicContact CG2-CD1 4.13Å; I49-L354 HydrophobicContact CD1-CB 4.22Å; I49-L354 HydrophobicContact CD1-CD2 4.24Å; I49-L354 HydrophobicContact CG1-CD2 4.44Å; I49-L354 HydrophobicContact CG2-CD1 4.05Å; I49-L354 HydrophobicContact CG2-CD2 3.76Å; I49-L354 HydrophobicContact CG2-CG 4.41Å
50	I	98.9	Very high	85.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	105.4	178.1	-45.3	-60.5	0	0	0	107.4	I52 L229 L231 I277 L281 V291 I292 I293	I50-I52 HydrophobicContact CG2-CG1 4.22Å; I50-L229 HydrophobicContact CD1-CD1 3.85Å; I50-L231 HydrophobicContact CD1-CB 3.8Å; I50-L231 HydrophobicContact CD1-CD2 4.29Å; I50-L231 HydrophobicContact CG2-CD2 4.46Å; I50-I277 HydrophobicContact CG2-CG2 4.5Å; I50-L281 HydrophobicContact CD1-CD2 3.91Å; I50-L281 HydrophobicContact CG1-CD1 4.01Å; I50-L281 HydrophobicContact CG1-CD2 4.01Å; I50-V291 PolarHBondContact N-O 2.96Å; I50-I292 HydrophobicContact CB-CG1 4.32Å; I50-I292 HydrophobicContact CB-CG2 4.47Å; I50-I292 HydrophobicContact CG1-CG1 4.43Å; I50-I292 CarbonylContact O-C 3.52Å; I50-I292 WeakPolarHBondContact O-CA 3.37Å; I50-I293 PolarHBondContact O-N 3.26Å
51	F	98.9	Very high	88.7	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.7	179.3	-160.2	-64.2	0	0	0	109.4	L53 L100 F230 L231 Y232 V233 I293 W350 L354	F51-L53 HydrophobicContact CD1-CB 4.24Å; F51-L53 HydrophobicContact CE1-CB 4.11Å; F51-L53 HydrophobicContact CE1-CD1 4.05Å; F51-L100 HydrophobicContact CD1-CD2 4.33Å; F51-L100 HydrophobicContact CD2-CD1 4.32Å; F51-L100 HydrophobicContact CE1-CD1 4.28Å; F51-L100 HydrophobicContact CE1-CD2 3.92Å; F51-L100 HydrophobicContact CE2-CD1 3.61Å; F51-L100 HydrophobicContact CZ-CD1 3.6Å; F51-L100 HydrophobicContact CZ-CD2 4.07Å; F51-F230 HydrophobicContact CB-CE2 4.02Å; F51-L231 PolarHBondContact N-O 3.19Å; F51-Y232 HydrophobicContact CB-CD2 4.22Å; F51-Y232 HydrophobicContact CD1-CD2 4.15Å; F51-Y232 HydrophobicContact CD1-CE2 4.12Å; F51-Y232 HydrophobicContact CG-CD2 4.47Å; F51-V233 PolarHBondContact O-N 3.33Å; F51-I293 HydrophobicContact CD2-CB 3.95Å; F51-I293 HydrophobicContact CD2-CD1 4.33Å; F51-I293 HydrophobicContact CD2-CG1 4.41Å; F51-I293 HydrophobicContact CD2-CG2 4.03Å; F51-I293 HydrophobicContact CE2-CB 4.15Å; F51-I293 HydrophobicContact CE2-CG2 3.69Å; F51-I293 HydrophobicContact CG-CB 4.36Å; F51-I293 HydrophobicContact CZ-CG2 3.99Å; F51-W350 HydrophobicContact CE2-CB 4.13Å; F51-W350 AromaticContact CE2-CD1 3.66Å; F51-W350 AromaticContact CE2-CD2 3.85Å; F51-W350 HydrophobicContact CE2-CD2 3.85Å; F51-W350 AromaticContact CE2-CG 3.62Å; F51-W350 HydrophobicContact CE2-CG 3.62Å; F51-W350 AromaticContact CE2-NE1 3.91Å; F51-W350 AromaticContact CZ-CD1 3.77Å; F51-W350 HydrophobicContact CZ-CG 4.21Å; F51-W350 AromaticContact CZ-NE1 3.85Å; F51-L354 HydrophobicContact CD2-CD1 4.08Å
52	I	98.9	Very high	91.3	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.8	177.4	-55.7	176.8	0	0	0	107.9	I50 V233 F235 V274 I292 I293 F294 S295	I50-I52 HydrophobicContact CG2-CG1 4.22Å; I52-V233 WeakPolarHBondContact CA-O 3.46Å; I52-V233 HydrophobicContact CG1-CB 4.36Å; I52-F235 HydrophobicContact CG2-CD2 3.82Å; I52-F235 HydrophobicContact CG2-CE2 3.69Å; I52-V274 HydrophobicContact CD1-CG1 4.03Å; I52-V274 HydrophobicContact CD1-CG2 4.19Å; I52-V274 HydrophobicContact CG2-CG2 4.18Å; I52-I292 HydrophobicContact CD1-CG2 4.25Å; I52-I293 PolarHBondContact N-O 3.15Å; I52-F294 HydrophobicContact CB-CD2 4.02Å; I52-F294 HydrophobicContact CG2-CD2 3.73Å; I52-F294 HydrophobicContact CG2-CE2 3.94Å; I52-F294 WeakPolarHBondContact O-CA 3.42Å; I52-S295 PolarHBondContact O-N 3.1Å
53	L	98.9	Very high	93.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.1	178.1	-171.9	74.1	0	0	0	109.8	F51 R97 L100 Y232 V233 A234 F235 S295 D297	F51-L53 HydrophobicContact CD1-CB 4.24Å; F51-L53 HydrophobicContact CE1-CB 4.11Å; F51-L53 HydrophobicContact CE1-CD1 4.05Å; L53-R97 HydrophobicContact CD2-CG 4.03Å; L53-L100 HydrophobicContact CD2-CD2 4.23Å; L53-Y232 HydrophobicContact CB-CE2 3.81Å; L53-Y232 HydrophobicContact CD2-CE2 4.11Å; L53-Y232 WeakPolarHBondContact CD2-OH 3.45Å; L53-V233 PolarHBondContact N-O 2.6Å; L53-A234 CarbonylContact O-C 3.43Å; L53-F235 PolarHBondContact O-N 2.69Å; L53-S295 CarbonylContact C-O 3.59Å; L53-S295 VanDerWaalsContact CA-O 3.3Å; L53-S295 WeakPolarHBondContact CA-O 3.49Å; L53-D297 HydrophobicContact CD1-CB 3.97Å; L53-D297 HydrophobicContact CD2-CB 3.89Å; L53-D297 HydrophobicContact CG-CB 3.99Å
54	T	98.7	Very high	96	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	156.8	175.7	67.2	0	0	0	0	110.9	Q57 M270 F294 S295 S296 D297	T54-Q57 VanDerWaalsContact OG1-CB 3.23Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.49Å; T54-Q57 PolarHBondContact OG1-OE1 3.22Å; T54-M270 HydrophobicContact CG2-CE 3.95Å; T54-M270 HydrophobicContact CG2-SD 3.25Å; T54-M270 WeakPolarHBondContact CG2-SD 3.44Å; T54-F294 HydrophobicContact CG2-CE1 4.19Å; T54-F294 HydrophobicContact CG2-CE2 3.54Å; T54-F294 HydrophobicContact CG2-CZ 3.34Å; T54-S295 PolarHBondContact N-O 3.23Å; T54-S296 CarbonylContact O-C 3.48Å; T54-S296 WeakPolarHBondContact OG1-CA 3.39Å; T54-D297 PolarHBondContact O-N 2.83Å
55	D	98.5	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-113.6	120.5	-172.3	-162.9	-1.2	0	0	0	109.3	Q57 C93 R97 K147 F235 Q236 A237 V238 H239 D297	D55-Q57 PolarHBondContact O-N 2.95Å; D55-C93 PolarHBondContact OD1-SG 3.23Å; D55-C93 VanDerWaalsContact OD1-SG 3.38Å; D55-R97 IonicContact OD1-NH2 3.56Å; D55-R97 IonicContact OD2-NH2 3.46Å; D55-K147 VanDerWaalsContact CG-NZ 3.27Å; D55-K147 IonicContact OD1-NZ 3.87Å; D55-K147 PolarHBondContact OD1-NZ 3.37Å; D55-K147 VanDerWaalsContact OD1-NZ 3.15Å; D55-K147 WeakPolarHBondContact OD2-CD 3.25Å; D55-K147 WeakPolarHBondContact OD2-CE 3.22Å; D55-K147 IonicContact OD2-NZ 3.12Å; D55-K147 PolarHBondContact OD2-NZ 3.31Å; D55-F235 WeakPolarHBondContact CB-O 3.29Å; D55-Q236 WeakPolarHBondContact CB-O 3.24Å; D55-A237 PolarHBondContact N-O 3.07Å; D55-A237 CarbonylContact O-C 3.56Å; D55-V238 CarbonylContact O-C 3.55Å; D55-V238 PolarHBondContact O-N 3.23Å; D55-H239 HydrophobicContact CB-CB 3.98Å; D55-H239 PolarHBondContact O-N 3.07Å; D55-H239 VanDerWaalsContact O-N 3.17Å; D55-H239 IonicContact OD1-CD2 3.42Å; D55-H239 PolarHBondContact OD1-CD2 3.2Å; D55-H239 VanDerWaalsContact OD1-CD2 3.29Å; D55-H239 IonicContact OD1-CG 3.85Å; D55-H239 WeakPolarHBondContact OD2-CB 3.2Å; D55-H239 IonicContact OD2-CD2 3.56Å; D55-H239 IonicContact OD2-CG 3.29Å; D55-D297 WeakPolarHBondContact CA-OD1 3.45Å
56	D	98.1	Very high	98.1	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	9%	0.085	C	C	.	.	S	Bend	trans	58.9	23.7	-176.5	-65.3	3.7	0	0	0	115.7	G58 H239 Y263 D297 N298 G300 K315	D56-G58 PolarHBondContact O-N 3.21Å; D56-H239 IonicContact OD1-CD2 3.88Å; D56-H239 IonicContact OD2-CD2 3.89Å; D56-H239 PolarHBondContact OD2-CD2 3.21Å; D56-H239 IonicContact OD2-CG 3.03Å; D56-H239 IonicContact OD2-NE2 3.63Å; D56-Y263 PolarHBondContact O-OH 3.04Å; D56-D297 PolarHBondContact N-OD1 2.86Å; D56-N298 PolarHBondContact OD1-ND2 2.78Å; D56-G300 WeakPolarHBondContact O-CA 3.01Å; D56-K315 VanDerWaalsContact OD1-CD 3.25Å; D56-K315 WeakPolarHBondContact OD1-CD 3.3Å; D56-K315 VanDerWaalsContact OD1-CE 3.27Å; D56-K315 WeakPolarHBondContact OD1-CE 3.13Å; D56-K315 IonicContact OD1-NZ 2.6Å; D56-K315 PolarHBondContact OD1-NZ 2.91Å; D56-K315 WeakPolarHBondContact OD2-CD 3.24Å; D56-K315 IonicContact OD2-NZ 3.85Å; D56-K315 PolarHBondContact OD2-NZ 3.03Å
57	Q	98.4	Very high	98.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.076	C	C	.	.			trans	-74	115.9	171.6	-165.2	174.9	4.4	0	0	110.9	T54 D55 D61 V238 Y263 F294 S296 L326	T54-Q57 VanDerWaalsContact OG1-CB 3.23Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.49Å; T54-Q57 PolarHBondContact OG1-OE1 3.22Å; D55-Q57 PolarHBondContact O-N 2.95Å; Q57-D61 HydrophobicContact CG-CB 3.95Å; Q57-D61 PolarHBondContact NE2-O 2.82Å; Q57-V238 HydrophobicContact CB-CG2 4.16Å; Q57-V238 HydrophobicContact CG-CG2 4.48Å; Q57-Y263 VanDerWaalsContact CA-OH 3.28Å; Q57-Y263 WeakPolarHBondContact CA-OH 3.13Å; Q57-F294 VanDerWaalsContact OE1-CZ 3.27Å; Q57-S296 WeakPolarHBondContact O-CB 3.44Å; Q57-L326 HydrophobicContact CB-CD2 4.42Å; Q57-L326 HydrophobicContact CG-CD2 3.72Å
58	G	97.9	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.088	C	C	.	.			trans	-74.2	160.3	-177.9	0	0	0	0	0	114	D56 H60 D61 Y263 S307 N308	D56-G58 PolarHBondContact O-N 3.21Å; G58-H60 PolarHBondContact O-N 3Å; G58-D61 WeakPolarHBondContact CA-OD2 3.47Å; G58-D61 PolarHBondContact N-OD2 3.19Å; G58-D61 WeakPolarHBondContact O-CB 3.36Å; G58-D61 PolarHBondContact O-N 3.32Å; G58-D61 VanDerWaalsContact O-N 3.1Å; G58-Y263 PolarHBondContact N-OH 3.31Å; G58-S307 CarbonylContact C-O 3.54Å; G58-S307 VanDerWaalsContact C-O 3.23Å; G58-S307 VanDerWaalsContact CA-O 3.27Å; G58-S307 WeakPolarHBondContact CA-O 3.32Å; G58-N308 WeakPolarHBondContact CA-OD1 3.41Å
59	Y	98.1	Very high	97.9	Very high	25 Å²	25	13.8 Å²	13.8	10%	0.098	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.9	-179.3	-170.2	-100	0	0	0	111.8	D61 H65 E85 S307 N308 L311 R324	Y59-D61 VanDerWaalsContact C-N 3.32Å; Y59-D61 PolarHBondContact O-N 2.71Å; Y59-H65 AromaticContact CD1-ND1 3.94Å; Y59-H65 AromaticContact CD2-CE1 3.87Å; Y59-H65 AromaticContact CE1-CE1 3.84Å; Y59-H65 AromaticContact CE1-ND1 3.9Å; Y59-H65 AromaticContact CE2-CE1 3.44Å; Y59-H65 VanDerWaalsContact CE2-CE1 3.44Å; Y59-H65 WeakPolarHBondContact CE2-CE1 3.41Å; Y59-H65 AromaticContact CZ-CE1 3.43Å; Y59-H65 VanDerWaalsContact CZ-CE1 3.43Å; Y59-H65 AromaticContact CZ-ND1 3.97Å; Y59-H65 AromaticContact CZ-NE2 3.88Å; Y59-H65 PolarHBondContact O-ND1 3.4Å; Y59-E85 PolarHBondContact OH-OE2 2.81Å; Y59-S307 PolarHBondContact N-O 3.31Å; Y59-S307 VanDerWaalsContact N-O 3.17Å; Y59-N308 PolarHBondContact N-OD1 3.2Å; Y59-N308 VanDerWaalsContact N-OD1 3.14Å; Y59-L311 HydrophobicContact CD1-CD1 3.68Å; Y59-L311 HydrophobicContact CD1-CG 3.89Å; Y59-L311 HydrophobicContact CD2-CD1 3.86Å; Y59-L311 HydrophobicContact CE1-CD1 4.16Å; Y59-L311 HydrophobicContact CE1-CD2 4.46Å; Y59-L311 HydrophobicContact CE1-CG 4.28Å; Y59-L311 HydrophobicContact CE2-CD1 4.36Å; Y59-L311 HydrophobicContact CG-CD1 3.5Å; Y59-L311 HydrophobicContact CG-CG 4.22Å; Y59-R324 HydrophobicContact CE2-CG 4.33Å
60	H	97.7	Very high	97.8	Very high	24 Å²	24	18.3 Å²	18.3	11%	0.111	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	21.8	179.4	-160.6	-90.6	0	0	0	113.2	G58 H65 G66 S67 S307 W309	G58-H60 PolarHBondContact O-N 3Å; H60-H65 PolarHBondContact CD2-O 3.22Å; H60-G66 PolarHBondContact CE1-O 2.79Å; H60-S67 WeakPolarHBondContact O-CB 3.08Å; H60-S67 PolarHBondContact O-OG 3.28Å; H60-S307 WeakPolarHBondContact CB-O 3.48Å; H60-S307 PolarHBondContact N-O 3.32Å; H60-W309 HydrophobicContact CB-CB 4.37Å; H60-W309 VanDerWaalsContact CB-O 3.25Å; H60-W309 WeakPolarHBondContact CB-O 3.48Å; H60-W309 PolarHBondContact CD2-O 3.47Å
61	D	98.4	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-109.3	27	-172.6	-59.3	-23.4	0	0	0	112.6	Q57 G58 Y59 I69 R260 Y263 G306 S307	Q57-D61 HydrophobicContact CG-CB 3.95Å; Q57-D61 PolarHBondContact NE2-O 2.82Å; G58-D61 WeakPolarHBondContact CA-OD2 3.47Å; G58-D61 PolarHBondContact N-OD2 3.19Å; G58-D61 WeakPolarHBondContact O-CB 3.36Å; G58-D61 PolarHBondContact O-N 3.32Å; G58-D61 VanDerWaalsContact O-N 3.1Å; Y59-D61 VanDerWaalsContact C-N 3.32Å; Y59-D61 PolarHBondContact O-N 2.71Å; D61-I69 HydrophobicContact CB-CD1 4.17Å; D61-R260 VanDerWaalsContact CG-NH1 3.34Å; D61-R260 IonicContact OD1-CZ 3.64Å; D61-R260 IonicContact OD1-NH1 3.52Å; D61-R260 PolarHBondContact OD1-NH1 2.9Å; D61-R260 IonicContact OD1-NH2 2.92Å; D61-R260 PolarHBondContact OD1-NH2 3.5Å; D61-R260 IonicContact OD2-NH1 2.72Å; D61-Y263 HydrophobicContact CB-CE1 4.07Å; D61-Y263 WeakPolarHBondContact OD2-CE1 3.39Å; D61-Y263 PolarHBondContact OD2-OH 3.34Å; D61-G306 WeakPolarHBondContact OD2-CA 3.3Å; D61-S307 WeakPolarHBondContact OD1-CB 3.47Å; D61-S307 PolarHBondContact OD1-N 3.36Å; D61-S307 PolarHBondContact OD2-N 3.04Å
62	V	98.4	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-138.6	142.5	176.1	75.4	0	0	0	0	110	Y64 H65 S67 T71 L74 L326	V62-Y64 VanDerWaalsContact C-N 3.29Å; V62-Y64 HydrophobicContact CB-CD1 4.27Å; V62-Y64 HydrophobicContact CB-CE1 4.13Å; V62-Y64 HydrophobicContact CG1-CD1 3.76Å; V62-Y64 HydrophobicContact CG1-CD2 4.13Å; V62-Y64 HydrophobicContact CG1-CE1 3.63Å; V62-Y64 HydrophobicContact CG1-CE2 4.01Å; V62-Y64 HydrophobicContact CG1-CG 4.01Å; V62-Y64 HydrophobicContact CG2-CD1 3.49Å; V62-Y64 VanDerWaalsContact CG2-CD1 3.49Å; V62-Y64 HydrophobicContact CG2-CE1 3.41Å; V62-Y64 VanDerWaalsContact CG2-CE1 3.41Å; V62-Y64 HydrophobicContact CG2-CG 4.45Å; V62-Y64 PolarHBondContact O-N 3.37Å; V62-H65 HydrophobicContact CG1-CB 3.87Å; V62-H65 PolarHBondContact O-N 2.99Å; V62-S67 VanDerWaalsContact C-CB 3.47Å; V62-S67 WeakPolarHBondContact O-CB 3.39Å; V62-S67 PolarHBondContact O-N 3.04Å; V62-T71 VanDerWaalsContact CG2-OG1 3.31Å; V62-T71 WeakPolarHBondContact CG2-OG1 3.34Å; V62-L74 HydrophobicContact CG2-CB 4.04Å; V62-L74 HydrophobicContact CG2-CD1 4.2Å; V62-L326 HydrophobicContact CB-CD1 4.07Å; V62-L326 HydrophobicContact CB-CD2 4.24Å; V62-L326 HydrophobicContact CG1-CD1 3.49Å; V62-L326 VanDerWaalsContact CG1-CD1 3.49Å
63	G	98.1	Very high	97.7	Very high	24 Å²	24	23 Å²	23	25%	0.247	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-57.9	-37.7	-175.8	0	0	0	0	0	113.4	H65 G66 T71 D75	G63-H65 PolarHBondContact O-N 2.65Å; G63-H65 VanDerWaalsContact O-N 3.1Å; G63-G66 PolarHBondContact O-N 3.47Å; G63-T71 PolarHBondContact N-OG1 3.44Å; G63-D75 WeakPolarHBondContact CA-OD1 3.34Å; G63-D75 WeakPolarHBondContact CA-OD2 3.49Å; G63-D75 PolarHBondContact N-OD1 2.86Å
64	Y	97.6	Very high	97.7	Very high	36 Å²	36	23 Å²	23	14%	0.141	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-69.4	-5.4	178	74.3	-103	0	0	0	115.6	V62 D75 A78 K83 L326 F328	V62-Y64 VanDerWaalsContact C-N 3.29Å; V62-Y64 HydrophobicContact CB-CD1 4.27Å; V62-Y64 HydrophobicContact CB-CE1 4.13Å; V62-Y64 HydrophobicContact CG1-CD1 3.76Å; V62-Y64 HydrophobicContact CG1-CD2 4.13Å; V62-Y64 HydrophobicContact CG1-CE1 3.63Å; V62-Y64 HydrophobicContact CG1-CE2 4.01Å; V62-Y64 HydrophobicContact CG1-CG 4.01Å; V62-Y64 HydrophobicContact CG2-CD1 3.49Å; V62-Y64 VanDerWaalsContact CG2-CD1 3.49Å; V62-Y64 HydrophobicContact CG2-CE1 3.41Å; V62-Y64 VanDerWaalsContact CG2-CE1 3.41Å; V62-Y64 HydrophobicContact CG2-CG 4.45Å; V62-Y64 PolarHBondContact O-N 3.37Å; Y64-D75 WeakPolarHBondContact CD1-OD1 3.5Å; Y64-D75 PolarHBondContact N-OD1 3.03Å; Y64-A78 HydrophobicContact CD1-CB 3.78Å; Y64-A78 HydrophobicContact CE1-CB 3.67Å; Y64-A78 HydrophobicContact CG-CB 4.48Å; Y64-K83 HydrophobicContact CD2-CD 3.86Å; Y64-K83 HydrophobicContact CD2-CG 4.46Å; Y64-K83 HydrophobicContact CE2-CD 4.13Å; Y64-K83 HydrophobicContact CE2-CG 4.29Å; Y64-K83 HydrophobicContact CG-CD 4.43Å; Y64-L326 HydrophobicContact CE1-CD1 4.39Å; Y64-L326 HydrophobicContact CE2-CD1 4.38Å; Y64-L326 WeakPolarHBondContact OH-CD1 3.43Å; Y64-F328 HydrophobicContact CE1-CD1 4.1Å
65	H	98	Very high	97.7	Very high	35 Å²	35	25 Å²	25	16%	0.162	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-104.3	12	167.5	-71.5	169.9	0	0	0	113.1	Y59 H60 V62 G63 E85	Y59-H65 AromaticContact CD1-ND1 3.94Å; Y59-H65 AromaticContact CD2-CE1 3.87Å; Y59-H65 AromaticContact CE1-CE1 3.84Å; Y59-H65 AromaticContact CE1-ND1 3.9Å; Y59-H65 AromaticContact CE2-CE1 3.44Å; Y59-H65 VanDerWaalsContact CE2-CE1 3.44Å; Y59-H65 WeakPolarHBondContact CE2-CE1 3.41Å; Y59-H65 AromaticContact CZ-CE1 3.43Å; Y59-H65 VanDerWaalsContact CZ-CE1 3.43Å; Y59-H65 AromaticContact CZ-ND1 3.97Å; Y59-H65 AromaticContact CZ-NE2 3.88Å; Y59-H65 PolarHBondContact O-ND1 3.4Å; H60-H65 PolarHBondContact CD2-O 3.22Å; V62-H65 HydrophobicContact CG1-CB 3.87Å; V62-H65 PolarHBondContact O-N 2.99Å; G63-H65 PolarHBondContact O-N 2.65Å; G63-H65 VanDerWaalsContact O-N 3.1Å; H65-E85 IonicContact CE1-OE2 3.77Å; H65-E85 IonicContact NE2-OE1 2.97Å; H65-E85 PolarHBondContact NE2-OE1 3.15Å; H65-E85 VanDerWaalsContact NE2-OE1 3.11Å; H65-E85 IonicContact NE2-OE2 2.78Å; H65-E85 PolarHBondContact NE2-OE2 2.89Å
66	G	95.9	Very high	97.7	Very high	57 Å²	57	32 Å²	32	59%	0.588	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	20.6	178.9	0	0	0	0	0	113.9	H60 G63	H60-G66 PolarHBondContact CE1-O 2.79Å; G63-G66 PolarHBondContact O-N 3.47Å
67	S	96.3	Very high	97.8	Very high	19 Å²	19	32.4 Å²	32.4	13%	0.133	18%	0.178	C	C	.	.			trans	-62.6	151.8	178.3	-158.7	0	0	0	0	112.9	H60 V62 I69	H60-S67 WeakPolarHBondContact O-CB 3.08Å; H60-S67 PolarHBondContact O-OG 3.28Å; V62-S67 VanDerWaalsContact C-CB 3.47Å; V62-S67 WeakPolarHBondContact O-CB 3.39Å; V62-S67 PolarHBondContact O-N 3.04Å; S67-I69 PolarHBondContact OG-N 3.43Å
68	D	92.6	Very high	97.8	Very high	60 Å²	60	32.4 Å²	32.4	32%	0.321	18%	0.179	S	C	.	.	S	Bend	trans	-79.8	-2	166.3	58.8	-23.6	0	0	0	113.1	M255 R260 Q440	D68-M255 WeakPolarHBondContact OD2-CE 3.48Å; D68-R260 IonicContact OD1-CZ 2.72Å; D68-R260 IonicContact OD1-NE 3.65Å; D68-R260 IonicContact OD1-NH2 3.76Å; D68-R260 PolarHBondContact OD1-NH2 3.4Å; D68-R260 IonicContact OD2-NE 3.96Å; D68-Q440 PolarHBondContact OD2-NE2 3.36Å
69	I	97.6	Very high	97.8	Very high	4 Å²	4	35 Å²	35	2%	0.021	20%	0.2	C	C	.	.	S	Bend	trans	-94.6	131.6	176.7	-54.8	178.5	0	0	0	109.7	D61 S67 T71 Y263 A264 V267	D61-I69 HydrophobicContact CB-CD1 4.17Å; S67-I69 PolarHBondContact OG-N 3.43Å; I69-T71 HydrophobicContact CG2-CG2 4.28Å; I69-T71 PolarHBondContact O-N 3.32Å; I69-Y263 HydrophobicContact CD1-CD1 3.88Å; I69-Y263 HydrophobicContact CD1-CE1 3.95Å; I69-A264 HydrophobicContact CD1-CB 4.07Å; I69-A264 HydrophobicContact CG1-CB 3.75Å; I69-A264 HydrophobicContact CG2-CB 4.26Å; I69-V267 HydrophobicContact CD1-CB 4.49Å; I69-V267 HydrophobicContact CD1-CG2 4.15Å; I69-V267 HydrophobicContact CG2-CB 3.72Å; I69-V267 HydrophobicContact CG2-CG1 3.6Å; I69-V267 HydrophobicContact CG2-CG2 4.48Å
70	E	96.9	Very high	97.9	Very high	95 Å²	95	38.6 Å²	38.6	44%	0.444	22%	0.216	S	C	.	.			trans	-78	110.4	177.5	-60.4	176	-177.5	0	0	111.4	P72 R251 Y252	E70-P72 VanDerWaalsContact C-CD 3.43Å; E70-R251 IonicContact OE2-NH1 2.79Å; E70-Y252 WeakPolarHBondContact CB-OH 3.41Å; E70-Y252 PolarHBondContact N-OH 2.83Å
71	T	98.6	Very high	97.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.211	C	C	.	.			trans	-127.4	57.4	174.9	58.2	0	0	0	0	112.7	V62 G63 I69 T73 L74 D75 V267 D271	V62-T71 VanDerWaalsContact CG2-OG1 3.31Å; V62-T71 WeakPolarHBondContact CG2-OG1 3.34Å; G63-T71 PolarHBondContact N-OG1 3.44Å; I69-T71 HydrophobicContact CG2-CG2 4.28Å; I69-T71 PolarHBondContact O-N 3.32Å; T71-T73 PolarHBondContact O-N 3.2Å; T71-T73 VanDerWaalsContact O-N 3.16Å; T71-L74 HydrophobicContact CG2-CD1 4.16Å; T71-L74 PolarHBondContact O-N 3.29Å; T71-D75 WeakPolarHBondContact O-CB 3.4Å; T71-D75 PolarHBondContact O-N 3.09Å; T71-D75 PolarHBondContact OG1-OD1 2.76Å; T71-V267 HydrophobicContact CG2-CG1 3.5Å; T71-D271 VanDerWaalsContact CA-OD1 3.28Å; T71-D271 WeakPolarHBondContact CA-OD1 3.46Å
72	P	98.6	Very high	97.9	Very high	80 Å²	80	37.4 Å²	37.4	52%	0.519	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-29.2	-170.8	25.9	-35.9	0	0	0	113.7	E70 R76 D271	E70-P72 VanDerWaalsContact C-CD 3.43Å; P72-R76 VanDerWaalsContact O-CB 3.26Å; P72-R76 WeakPolarHBondContact O-CB 3.49Å; P72-R76 PolarHBondContact O-N 3Å; P72-R76 VanDerWaalsContact O-N 3.1Å; P72-D271 WeakPolarHBondContact CD-OD2 3.4Å
73	T	98.9	Very high	98	Very high	19 Å²	19	39.7 Å²	39.7	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-73.2	-49.4	178.2	-51.1	0	0	0	0	110.7	T71 D75 R76 L77 D271 V274 R275	T71-T73 PolarHBondContact O-N 3.2Å; T71-T73 VanDerWaalsContact O-N 3.16Å; T73-D75 VanDerWaalsContact C-N 3.31Å; T73-D75 PolarHBondContact O-N 3.44Å; T73-R76 PolarHBondContact O-N 2.91Å; T73-L77 HydrophobicContact CG2-CD1 4.13Å; T73-L77 WeakPolarHBondContact O-CG 3.4Å; T73-L77 PolarHBondContact O-N 3.36Å; T73-D271 WeakPolarHBondContact CA-OD1 3.42Å; T73-D271 VanDerWaalsContact CB-CG 3.46Å; T73-D271 VanDerWaalsContact CB-OD1 3.24Å; T73-D271 WeakPolarHBondContact CB-OD1 3.16Å; T73-D271 WeakPolarHBondContact CB-OD2 3.32Å; T73-D271 PolarHBondContact N-OD1 3.47Å; T73-D271 PolarHBondContact N-OD2 3.38Å; T73-D271 PolarHBondContact OG1-O 3.23Å; T73-D271 PolarHBondContact OG1-OD2 3.13Å; T73-V274 HydrophobicContact CG2-CG1 4.25Å; T73-R275 HydrophobicContact CG2-CB 3.84Å; T73-R275 HydrophobicContact CG2-CG 4.39Å
74	L	98.9	Very high	98	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-45.5	176.4	-60.5	-175.3	0	0	0	110.7	V62 T71 R76 L77 A78 M270 D271 V274 F294 F328	V62-L74 HydrophobicContact CG2-CB 4.04Å; V62-L74 HydrophobicContact CG2-CD1 4.2Å; T71-L74 HydrophobicContact CG2-CD1 4.16Å; T71-L74 PolarHBondContact O-N 3.29Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.27Å; L74-L77 PolarHBondContact O-N 3.35Å; L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.14Å; L74-A78 PolarHBondContact O-N 2.73Å; L74-M270 HydrophobicContact CD1-CE 3.89Å; L74-D271 WeakPolarHBondContact CG-OD1 3.37Å; L74-D271 PolarHBondContact N-OD1 3.06Å; L74-V274 HydrophobicContact CD2-CB 4.3Å; L74-V274 HydrophobicContact CD2-CG1 4.01Å; L74-V274 HydrophobicContact CD2-CG2 4.19Å; L74-F294 HydrophobicContact CD1-CE1 4.05Å; L74-F294 HydrophobicContact CD1-CE2 4.03Å; L74-F294 HydrophobicContact CD1-CZ 3.52Å; L74-F294 HydrophobicContact CD2-CD2 3.69Å; L74-F294 HydrophobicContact CD2-CE1 4.4Å; L74-F294 HydrophobicContact CD2-CE2 3.4Å; L74-F294 VanDerWaalsContact CD2-CE2 3.4Å; L74-F294 HydrophobicContact CD2-CG 4.29Å; L74-F294 HydrophobicContact CD2-CZ 3.77Å; L74-F294 HydrophobicContact CG-CE2 4.38Å; L74-F294 HydrophobicContact CG-CZ 4.3Å; L74-F328 HydrophobicContact CB-CE1 4.17Å; L74-F328 HydrophobicContact CB-CZ 4.48Å; L74-F328 HydrophobicContact CD2-CE1 4.17Å; L74-F328 HydrophobicContact CD2-CZ 4.01Å
75	D	98.9	Very high	98	Very high	42 Å²	42	38.1 Å²	38.1	23%	0.225	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-44	179	-65.8	-21.9	0	0	0	111.5	G63 Y64 T71 T73 A79	G63-D75 WeakPolarHBondContact CA-OD1 3.34Å; G63-D75 WeakPolarHBondContact CA-OD2 3.49Å; G63-D75 PolarHBondContact N-OD1 2.86Å; Y64-D75 WeakPolarHBondContact CD1-OD1 3.5Å; Y64-D75 PolarHBondContact N-OD1 3.03Å; T71-D75 WeakPolarHBondContact O-CB 3.4Å; T71-D75 PolarHBondContact O-N 3.09Å; T71-D75 PolarHBondContact OG1-OD1 2.76Å; T73-D75 VanDerWaalsContact C-N 3.31Å; T73-D75 PolarHBondContact O-N 3.44Å; D75-A79 WeakPolarHBondContact O-CB 3.17Å; D75-A79 PolarHBondContact O-N 3.42Å
76	R	98.8	Very high	98	Very high	148 Å²	148	37.5 Å²	37.5	56%	0.558	21%	0.206	S	C	*	.	H	α-helix	trans	-66.2	-42	177.7	178.7	178.5	168.8	170.4	1.2	112.3	P72 T73 L74 K80	P72-R76 VanDerWaalsContact O-CB 3.26Å; P72-R76 WeakPolarHBondContact O-CB 3.49Å; P72-R76 PolarHBondContact O-N 3Å; P72-R76 VanDerWaalsContact O-N 3.1Å; T73-R76 PolarHBondContact O-N 2.91Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.27Å; R76-K80 WeakPolarHBondContact O-CB 3.36Å; R76-K80 WeakPolarHBondContact O-CG 3.36Å; R76-K80 PolarHBondContact O-N 3.18Å; R76-K80 VanDerWaalsContact O-N 3.15Å
77	L	98.9	Very high	98.2	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-46.5	178.6	-70.4	169.9	0	0	0	110.7	T73 L74 K80 G81 V274 T278 F328 H330	T73-L77 HydrophobicContact CG2-CD1 4.13Å; T73-L77 WeakPolarHBondContact O-CG 3.4Å; T73-L77 PolarHBondContact O-N 3.36Å; L74-L77 PolarHBondContact O-N 3.35Å; L77-K80 CarbonylContact O-C 3.58Å; L77-K80 PolarHBondContact O-N 3.47Å; L77-G81 PolarHBondContact O-N 2.96Å; L77-V274 HydrophobicContact CD1-CG1 3.81Å; L77-T278 HydrophobicContact CD1-CG2 3.93Å; L77-T278 HydrophobicContact CD2-CG2 4.24Å; L77-F328 HydrophobicContact CB-CD2 4.4Å; L77-F328 HydrophobicContact CB-CE2 3.53Å; L77-F328 HydrophobicContact CB-CZ 3.82Å; L77-F328 HydrophobicContact CD1-CE2 4.33Å; L77-F328 HydrophobicContact CD1-CZ 4.27Å; L77-H330 HydrophobicContact CB-CB 4.25Å; L77-H330 HydrophobicContact CD2-CB 4.33Å; L77-H330 PolarHBondContact O-ND1 2.91Å
78	A	98.8	Very high	98.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-47	177.1	0	0	0	0	0	111.9	Y64 L74 K80 G81 K83 F328	Y64-A78 HydrophobicContact CD1-CB 3.78Å; Y64-A78 HydrophobicContact CE1-CB 3.67Å; Y64-A78 HydrophobicContact CG-CB 4.48Å; L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.14Å; L74-A78 PolarHBondContact O-N 2.73Å; A78-K80 VanDerWaalsContact C-N 3.26Å; A78-K80 PolarHBondContact O-N 2.75Å; A78-G81 CarbonylContact O-C 3.52Å; A78-G81 PolarHBondContact O-N 2.87Å; A78-K83 HydrophobicContact CB-CG 4.1Å; A78-F328 HydrophobicContact CB-CB 4.08Å; A78-F328 HydrophobicContact CB-CD1 3.74Å; A78-F328 HydrophobicContact CB-CD2 4.35Å; A78-F328 HydrophobicContact CB-CE1 4.23Å; A78-F328 HydrophobicContact CB-CG 3.8Å
79	A	98.7	Very high	98.6	Very high	54 Å²	54	31 Å²	31	45%	0.446	16%	0.157	S	C	.	.	H	α-helix	trans	-62.2	-32.6	178.5	0	0	0	0	0	112.9	D75 Q338	D75-A79 WeakPolarHBondContact O-CB 3.17Å; D75-A79 PolarHBondContact O-N 3.42Å; A79-Q338 WeakPolarHBondContact O-CA 3.44Å; A79-Q338 WeakPolarHBondContact O-CG 3.36Å
80	K	98.7	Very high	98.6	Very high	100 Å²	100	30.9 Å²	30.9	44%	0.435	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.2	176.3	-65.6	-170	-177.1	-154.7	0	113.9	R76 L77 A78	R76-K80 WeakPolarHBondContact O-CB 3.36Å; R76-K80 WeakPolarHBondContact O-CG 3.36Å; R76-K80 PolarHBondContact O-N 3.18Å; R76-K80 VanDerWaalsContact O-N 3.15Å; L77-K80 CarbonylContact O-C 3.58Å; L77-K80 PolarHBondContact O-N 3.47Å; A78-K80 VanDerWaalsContact C-N 3.26Å; A78-K80 PolarHBondContact O-N 2.75Å
81	G	98.8	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-115.5	-140.7	-176.2	0	0	0	0	0	112.4	L77 A78 V329 Q338 R339	L77-G81 PolarHBondContact O-N 2.96Å; A78-G81 CarbonylContact O-C 3.52Å; A78-G81 PolarHBondContact O-N 2.87Å; G81-V329 CarbonylContact C-O 3.58Å; G81-V329 WeakPolarHBondContact CA-O 3.25Å; G81-Q338 WeakPolarHBondContact O-CA 3.49Å; G81-Q338 PolarHBondContact O-N 3.48Å; G81-R339 PolarHBondContact O-N 2.74Å
82	V	98.9	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.9	175.3	-179.9	0	0	0	0	108.5	L84 F328 V329 L334 R339 I377	V82-L84 HydrophobicContact CG1-CD2 4.18Å; V82-F328 CarbonylContact O-C 3.55Å; V82-F328 VanDerWaalsContact O-CA 3.25Å; V82-F328 WeakPolarHBondContact O-CA 3.35Å; V82-F328 WeakPolarHBondContact O-CB 3.31Å; V82-V329 PolarHBondContact N-O 2.91Å; V82-V329 PolarHBondContact O-N 3.28Å; V82-L334 HydrophobicContact CG2-CD1 4.01Å; V82-L334 HydrophobicContact CG2-CD2 4.13Å; V82-R339 WeakPolarHBondContact CA-O 3.42Å; V82-R339 HydrophobicContact CB-CG 4.48Å; V82-R339 HydrophobicContact CG1-CG 4.16Å; V82-R339 HydrophobicContact CG2-CG 3.93Å; V82-I377 HydrophobicContact CB-CG2 4.46Å
83	K	98.9	Very high	98.5	Very high	47 Å²	47	24.5 Å²	24.5	20%	0.204	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.7	171.8	-63.2	174.7	-178.1	179.4	0	110	Y64 A78 R339 S341	Y64-K83 HydrophobicContact CD2-CD 3.86Å; Y64-K83 HydrophobicContact CD2-CG 4.46Å; Y64-K83 HydrophobicContact CE2-CD 4.13Å; Y64-K83 HydrophobicContact CE2-CG 4.29Å; Y64-K83 HydrophobicContact CG-CD 4.43Å; A78-K83 HydrophobicContact CB-CG 4.1Å; K83-R339 PolarHBondContact N-O 3.09Å; K83-S341 WeakPolarHBondContact O-CB 3.5Å; K83-S341 PolarHBondContact O-N 3.31Å
84	L	98.8	Very high	98.5	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	93.1	-177.5	-52.2	179.2	0	0	0	110	V82 Y87 G327 V329 M345 W350	V82-L84 HydrophobicContact CG1-CD2 4.18Å; L84-Y87 HydrophobicContact CB-CG 4.27Å; L84-Y87 HydrophobicContact CD1-CG 4.32Å; L84-G327 WeakPolarHBondContact CB-O 3.34Å; L84-G327 PolarHBondContact N-O 3.16Å; L84-V329 HydrophobicContact CD1-CG2 4.32Å; L84-M345 HydrophobicContact CD1-CE 3.78Å; L84-M345 HydrophobicContact CD1-SD 4.5Å; L84-M345 HydrophobicContact CD2-CE 4.08Å; L84-M345 HydrophobicContact CD2-SD 3.86Å; L84-W350 HydrophobicContact CD1-CH2 4.03Å; L84-W350 HydrophobicContact CD1-CZ2 3.78Å
85	E	98.1	Very high	98.5	Very high	24 Å²	24	23.7 Å²	23.7	11%	0.112	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	0.4	-173.1	-62.2	-59.6	158.5	0	0	113.8	Y59 H65 R324 T340 S341	Y59-E85 PolarHBondContact OH-OE2 2.81Å; H65-E85 IonicContact CE1-OE2 3.77Å; H65-E85 IonicContact NE2-OE1 2.97Å; H65-E85 PolarHBondContact NE2-OE1 3.15Å; H65-E85 VanDerWaalsContact NE2-OE1 3.11Å; H65-E85 IonicContact NE2-OE2 2.78Å; H65-E85 PolarHBondContact NE2-OE2 2.89Å; E85-R324 PolarHBondContact O-NE 2.89Å; E85-R324 PolarHBondContact O-NH2 3.31Å; E85-T340 HydrophobicContact CB-CG2 4Å; E85-T340 HydrophobicContact CG-CG2 3.3Å; E85-S341 PolarHBondContact N-O 2.7Å
86	N	98.3	Very high	98.5	Very high	22 Å²	22	21.7 Å²	21.7	12%	0.118	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	43	175.8	-161.1	26.7	0	0	0	110.1	R342 M345 R420	N86-R342 HydrophobicContact CB-CB 4.45Å; N86-R342 VanDerWaalsContact CB-O 3.27Å; N86-R342 WeakPolarHBondContact CB-O 3.13Å; N86-R342 PolarHBondContact ND2-O 3.15Å; N86-M345 PolarHBondContact O-N 2.64Å; N86-R420 PolarHBondContact ND2-NH2 2.8Å; N86-R420 VanDerWaalsContact OD1-CZ 3.29Å; N86-R420 PolarHBondContact OD1-NH1 2.91Å; N86-R420 PolarHBondContact OD1-NH2 2.72Å
87	Y	98.8	Very high	98.5	Very high	1 Å²	1	14.6 Å²	14.6	0%	0.004	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.8	-173.1	169.2	-115.8	0	0	0	111.5	L84 I89 S295 G325 M345 W350	L84-Y87 HydrophobicContact CB-CG 4.27Å; L84-Y87 HydrophobicContact CD1-CG 4.32Å; Y87-I89 HydrophobicContact CE1-CG2 3.68Å; Y87-I89 HydrophobicContact CE2-CG2 4.49Å; Y87-S295 VanDerWaalsContact CE1-OG 3.29Å; Y87-S295 WeakPolarHBondContact CE1-OG 3.49Å; Y87-S295 PolarHBondContact OH-OG 3.04Å; Y87-G325 PolarHBondContact O-N 3.23Å; Y87-M345 CarbonylContact C-O 3.46Å; Y87-M345 WeakPolarHBondContact CA-O 3.44Å; Y87-M345 HydrophobicContact CD2-CB 3.93Å; Y87-W350 HydrophobicContact CE2-CZ2 4.39Å; Y87-W350 AromaticContact CE2-NE1 3.54Å; Y87-W350 AromaticContact CZ-NE1 3.57Å; Y87-W350 PolarHBondContact OH-NE1 3.02Å
88	Y	98.9	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.2	-172.3	-69.5	-93.5	0	0	0	112.6	E320 V323 R324 L344 M345 H346 I347 I388 H390 R420	Y88-E320 WeakPolarHBondContact CE1-OE1 3.34Å; Y88-E320 WeakPolarHBondContact CE1-OE2 3.45Å; Y88-E320 PolarHBondContact OH-OE2 3.41Å; Y88-V323 CarbonylContact C-O 3.37Å; Y88-V323 VanDerWaalsContact CA-O 3.28Å; Y88-V323 WeakPolarHBondContact CA-O 3.42Å; Y88-V323 HydrophobicContact CD1-CB 4.41Å; Y88-V323 HydrophobicContact CD1-CG2 4.02Å; Y88-V323 WeakPolarHBondContact CD1-O 3.41Å; Y88-V323 HydrophobicContact CE1-CG2 4.26Å; Y88-R324 HydrophobicContact CD1-CB 4.42Å; Y88-R324 HydrophobicContact CE1-CB 4.09Å; Y88-R324 HydrophobicContact CE1-CG 4.36Å; Y88-L344 HydrophobicContact CD2-CD1 4.05Å; Y88-L344 HydrophobicContact CE2-CD1 4.02Å; Y88-M345 PolarHBondContact N-O 3.44Å; Y88-H346 CarbonylContact O-C 3.59Å; Y88-H346 VanDerWaalsContact O-CA 3.3Å; Y88-H346 WeakPolarHBondContact O-CA 3.08Å; Y88-H346 PolarHBondContact O-CD2 3.36Å; Y88-I347 PolarHBondContact O-N 3.38Å; Y88-I388 HydrophobicContact CD2-CD1 3.68Å; Y88-I388 HydrophobicContact CG-CD1 3.89Å; Y88-H390 AromaticContact CD1-CE1 3.44Å; Y88-H390 VanDerWaalsContact CD1-CE1 3.44Å; Y88-H390 WeakPolarHBondContact CD1-CE1 3.43Å; Y88-H390 AromaticContact CE1-CE1 3.94Å; Y88-R420 PolarHBondContact OH-NH1 2.67Å
89	I	98.8	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.			trans	-132.1	176.2	178.7	59.9	-172.8	0	0	0	107.8	Y87 S296 N298 V323 G325 I347	Y87-I89 HydrophobicContact CE1-CG2 3.68Å; Y87-I89 HydrophobicContact CE2-CG2 4.49Å; I89-S296 VanDerWaalsContact CD1-OG 3.31Å; I89-S296 WeakPolarHBondContact CD1-OG 3.36Å; I89-N298 VanDerWaalsContact CD1-C 3.48Å; I89-V323 WeakPolarHBondContact CG1-O 3.4Å; I89-V323 PolarHBondContact N-O 2.74Å; I89-V323 WeakPolarHBondContact O-CB 3.26Å; I89-V323 VanDerWaalsContact O-O 3.13Å; I89-G325 VanDerWaalsContact CD1-CA 3.45Å; I89-I347 HydrophobicContact CG2-CB 4.16Å; I89-I347 HydrophobicContact CG2-CD1 4.04Å; I89-I347 HydrophobicContact CG2-CG1 4.45Å
90	Q	98.7	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.			trans	-83.8	160.5	172.3	-64.2	-63	-37.3	0	0	111	I92 P95 S96 Q99 N298 H346 H390	Q90-I92 PolarHBondContact O-N 2.97Å; Q90-P95 HydrophobicContact CB-CB 3.5Å; Q90-P95 HydrophobicContact CG-CB 3.87Å; Q90-S96 WeakPolarHBondContact CA-OG 3.43Å; Q90-S96 WeakPolarHBondContact CB-OG 3.38Å; Q90-S96 PolarHBondContact N-OG 2.79Å; Q90-S96 PolarHBondContact O-OG 2.75Å; Q90-Q99 HydrophobicContact CG-CG 4.22Å; Q90-N298 WeakPolarHBondContact O-CA 3.48Å; Q90-N298 VanDerWaalsContact O-CB 3.28Å; Q90-N298 WeakPolarHBondContact O-CB 3.43Å; Q90-H346 PolarHBondContact NE2-NE2 2.97Å; Q90-H390 VanDerWaalsContact CD-O 3.24Å; Q90-H390 PolarHBondContact NE2-O 3.31Å; Q90-H390 PolarHBondContact OE1-O 3.24Å
91	P	97.8	Very high	98.5	Very high	5 Å²	5	6.9 Å²	6.9	3%	0.032	3%	0.034	C	C	.	.	S	Bend	trans	-76.9	-7.7	-173.2	31	-36.6	0	0	0	114.3	N298 G316 T317 Y318 G322 V323	P91-N298 WeakPolarHBondContact O-CB 3.34Å; P91-G316 PolarHBondContact O-N 3.36Å; P91-T317 VanDerWaalsContact CB-O 3.28Å; P91-T317 WeakPolarHBondContact CB-O 3.49Å; P91-Y318 HydrophobicContact CB-CD1 4.37Å; P91-Y318 HydrophobicContact CG-CD1 3.79Å; P91-Y318 HydrophobicContact CG-CE1 3.68Å; P91-G322 WeakPolarHBondContact CA-O 3.24Å; P91-V323 HydrophobicContact CB-CG1 3.99Å; P91-V323 HydrophobicContact CG-CG1 4.34Å
92	I	96.3	Very high	98.5	Very high	34 Å²	34	7 Å²	7	17%	0.174	3%	0.034	C	C	.	.	S	Bend	trans	-148.9	162.7	-178.2	57.4	-177.1	0	0	0	111.8	Q90 P95 S96 S114 I115 N298 K315	Q90-I92 PolarHBondContact O-N 2.97Å; I92-P95 HydrophobicContact CD1-CG 4.02Å; I92-P95 HydrophobicContact CG1-CB 4.27Å; I92-P95 HydrophobicContact CG1-CG 3.55Å; I92-P95 WeakPolarHBondContact O-CB 3.43Å; I92-P95 WeakPolarHBondContact O-CD 3.2Å; I92-S96 PolarHBondContact O-N 3.36Å; I92-S114 WeakPolarHBondContact CD1-O 3.31Å; I92-I115 HydrophobicContact CB-CG2 4.28Å; I92-I115 HydrophobicContact CD1-CG2 4.07Å; I92-I115 HydrophobicContact CG1-CG2 4.26Å; I92-N298 WeakPolarHBondContact CA-OD1 3.47Å; I92-K315 HydrophobicContact CG2-CG 4.32Å
93	C	97.4	Very high	98.4	Very high	3 Å²	3	7 Å²	7	2%	0.02	3%	0.034	C	C	.	.	H	α-helix	trans	-57.4	-66.6	-164.6	-47.3	0	0	0	0	116.4	D55 S96 R97 K147 H149 D297 N298	D55-C93 PolarHBondContact OD1-SG 3.23Å; D55-C93 VanDerWaalsContact OD1-SG 3.38Å; C93-S96 PolarHBondContact O-N 3.38Å; C93-S96 VanDerWaalsContact O-N 3.15Å; C93-R97 WeakPolarHBondContact O-CG 3.5Å; C93-R97 PolarHBondContact O-N 2.73Å; C93-K147 PolarHBondContact SG-NZ 2.79Å; C93-H149 VanDerWaalsContact CB-ND1 3.32Å; C93-H149 WeakPolarHBondContact CB-ND1 3.41Å; C93-D297 WeakPolarHBondContact CA-OD2 3.21Å; C93-D297 WeakPolarHBondContact CB-OD2 3.42Å; C93-N298 PolarHBondContact N-OD1 3.01Å; C93-N298 PolarHBondContact SG-OD1 3.08Å
94	T	98.6	Very high	98.4	Very high	1 Å²	1	7 Å²	7	1%	0.006	3%	0.033	C	C	.	.	H	α-helix	trans	-54.7	-47.1	-175.4	-59.8	0	0	0	0	111.8	R97 S98 L111 I116 H149 L150	T94-R97 PolarHBondContact O-N 2.69Å; T94-S98 VanDerWaalsContact O-CB 3.26Å; T94-S98 WeakPolarHBondContact O-CB 3.15Å; T94-S98 PolarHBondContact O-N 3.4Å; T94-S98 PolarHBondContact O-OG 3.04Å; T94-L111 HydrophobicContact CG2-CD1 4.35Å; T94-I116 HydrophobicContact CG2-CB 4.25Å; T94-I116 HydrophobicContact CG2-CD1 3.71Å; T94-I116 HydrophobicContact CG2-CG1 3.63Å; T94-I116 PolarHBondContact OG1-N 3.17Å; T94-H149 PolarHBondContact OG1-CD2 2.68Å; T94-H149 PolarHBondContact OG1-NE2 2.75Å; T94-H149 PolarHBondContact OG1-O 2.83Å; T94-L150 HydrophobicContact CG2-CD2 3.95Å
95	P	98.6	Very high	98.4	Very high	1 Å²	1	7 Å²	7	1%	0.006	3%	0.033	C	C	.	.	H	α-helix	trans	-43.6	-64.1	167.5	-39.9	46.3	0	0	0	114.2	Q90 I92 R97 S98 Q99 Q106	Q90-P95 HydrophobicContact CB-CB 3.5Å; Q90-P95 HydrophobicContact CG-CB 3.87Å; I92-P95 HydrophobicContact CD1-CG 4.02Å; I92-P95 HydrophobicContact CG1-CB 4.27Å; I92-P95 HydrophobicContact CG1-CG 3.55Å; I92-P95 WeakPolarHBondContact O-CB 3.43Å; I92-P95 WeakPolarHBondContact O-CD 3.2Å; P95-R97 VanDerWaalsContact C-N 3.33Å; P95-R97 PolarHBondContact O-N 3.4Å; P95-S98 PolarHBondContact O-N 2.9Å; P95-S98 VanDerWaalsContact O-N 3.15Å; P95-S98 PolarHBondContact O-OG 2.9Å; P95-Q99 VanDerWaalsContact O-CG 3.24Å; P95-Q99 WeakPolarHBondContact O-CG 3.35Å; P95-Q99 PolarHBondContact O-N 3.37Å; P95-Q106 HydrophobicContact CB-CG 4.15Å
96	S	98.8	Very high	98.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58.4	-44	-176.9	-80.8	0	0	0	0	113	Q90 I92 C93 S98 Q99 L100 D297	Q90-S96 WeakPolarHBondContact CA-OG 3.43Å; Q90-S96 WeakPolarHBondContact CB-OG 3.38Å; Q90-S96 PolarHBondContact N-OG 2.79Å; Q90-S96 PolarHBondContact O-OG 2.75Å; I92-S96 PolarHBondContact O-N 3.36Å; C93-S96 PolarHBondContact O-N 3.38Å; C93-S96 VanDerWaalsContact O-N 3.15Å; S96-S98 VanDerWaalsContact C-N 3.33Å; S96-S98 PolarHBondContact O-N 3.02Å; S96-Q99 PolarHBondContact O-N 3.1Å; S96-L100 WeakPolarHBondContact O-CB 3.23Å; S96-L100 PolarHBondContact O-N 2.81Å; S96-D297 WeakPolarHBondContact CB-O 3.45Å; S96-D297 PolarHBondContact OG-O 3.22Å
97	R	98.9	Very high	98.4	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.4	-38.4	-179.6	-66	166.7	-168.5	-96.8	-4.7	111.4	L53 D55 C93 T94 P95 L101 K147 L150 D297	L53-R97 HydrophobicContact CD2-CG 4.03Å; D55-R97 IonicContact OD1-NH2 3.56Å; D55-R97 IonicContact OD2-NH2 3.46Å; C93-R97 WeakPolarHBondContact O-CG 3.5Å; C93-R97 PolarHBondContact O-N 2.73Å; T94-R97 PolarHBondContact O-N 2.69Å; P95-R97 VanDerWaalsContact C-N 3.33Å; P95-R97 PolarHBondContact O-N 3.4Å; R97-L101 WeakPolarHBondContact O-CG 3.48Å; R97-L101 PolarHBondContact O-N 3.31Å; R97-L101 VanDerWaalsContact O-N 3.1Å; R97-K147 PolarHBondContact NH1-O 3.01Å; R97-L150 HydrophobicContact CB-CD1 4.24Å; R97-L150 HydrophobicContact CB-CD2 3.9Å; R97-L150 HydrophobicContact CB-CG 4.15Å; R97-D297 IonicContact CZ-OD2 2.64Å; R97-D297 IonicContact NE-OD2 3.73Å; R97-D297 PolarHBondContact NE-OD2 3.46Å; R97-D297 VanDerWaalsContact NE-OD2 3.09Å; R97-D297 IonicContact NH2-OD2 2.72Å; R97-D297 PolarHBondContact NH2-OD2 2.89Å
98	S	98.7	Very high	98.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66.3	-42.6	177.4	71.8	0	0	0	0	111	T94 P95 S96 L101 T102	T94-S98 VanDerWaalsContact O-CB 3.26Å; T94-S98 WeakPolarHBondContact O-CB 3.15Å; T94-S98 PolarHBondContact O-N 3.4Å; T94-S98 PolarHBondContact O-OG 3.04Å; P95-S98 PolarHBondContact O-N 2.9Å; P95-S98 VanDerWaalsContact O-N 3.15Å; P95-S98 PolarHBondContact O-OG 2.9Å; S96-S98 VanDerWaalsContact C-N 3.33Å; S96-S98 PolarHBondContact O-N 3.02Å; S98-L101 PolarHBondContact O-N 3.22Å; S98-T102 WeakPolarHBondContact O-CB 3.46Å; S98-T102 WeakPolarHBondContact O-CG2 3.28Å; S98-T102 PolarHBondContact O-N 2.84Å; S98-T102 PolarHBondContact O-OG1 3.15Å
99	Q	98.8	Very high	98.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-70.9	-36.4	179.8	-63.4	-146.1	25.2	0	0	112.2	Q90 P95 S96 G103 R104 Q106 H346 I347 T348	Q90-Q99 HydrophobicContact CG-CG 4.22Å; P95-Q99 VanDerWaalsContact O-CG 3.24Å; P95-Q99 WeakPolarHBondContact O-CG 3.35Å; P95-Q99 PolarHBondContact O-N 3.37Å; S96-Q99 PolarHBondContact O-N 3.1Å; Q99-G103 VanDerWaalsContact O-CA 3.31Å; Q99-G103 WeakPolarHBondContact O-CA 3.47Å; Q99-G103 PolarHBondContact O-N 3.17Å; Q99-R104 WeakPolarHBondContact CA-O 3.49Å; Q99-R104 WeakPolarHBondContact CG-O 3.41Å; Q99-Q106 HydrophobicContact CG-CG 4.32Å; Q99-H346 PolarHBondContact OE1-CE1 3.37Å; Q99-I347 HydrophobicContact CB-CG2 3.83Å; Q99-T348 HydrophobicContact CB-CG2 3.78Å; Q99-T348 HydrophobicContact CG-CG2 4.39Å
100	L	98.9	Very high	98.2	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-59.2	-50.1	172.3	174.6	60.1	0	0	0	111.6	F51 L53 S96 Y232 I347 W350	F51-L100 HydrophobicContact CD1-CD2 4.33Å; F51-L100 HydrophobicContact CD2-CD1 4.32Å; F51-L100 HydrophobicContact CE1-CD1 4.28Å; F51-L100 HydrophobicContact CE1-CD2 3.92Å; F51-L100 HydrophobicContact CE2-CD1 3.61Å; F51-L100 HydrophobicContact CZ-CD1 3.6Å; F51-L100 HydrophobicContact CZ-CD2 4.07Å; L53-L100 HydrophobicContact CD2-CD2 4.23Å; S96-L100 WeakPolarHBondContact O-CB 3.23Å; S96-L100 PolarHBondContact O-N 2.81Å; L100-Y232 HydrophobicContact CD2-CE2 3.87Å; L100-I347 HydrophobicContact CB-CD1 3.99Å; L100-I347 HydrophobicContact CB-CG1 3.95Å; L100-I347 HydrophobicContact CD1-CG1 4.13Å; L100-W350 HydrophobicContact CD1-CB 3.73Å; L100-W350 HydrophobicContact CD1-CG 4.07Å
101	L	98.7	Very high	98.2	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-83.9	-11.8	-172.8	-63.5	-173	0	0	0	114	R97 S98 T130 L131 W148 L150 F164 Y351	R97-L101 WeakPolarHBondContact O-CG 3.48Å; R97-L101 PolarHBondContact O-N 3.31Å; R97-L101 VanDerWaalsContact O-N 3.1Å; S98-L101 PolarHBondContact O-N 3.22Å; L101-T130 CarbonylContact O-C 3.54Å; L101-T130 WeakPolarHBondContact O-CA 3.43Å; L101-L131 HydrophobicContact CD2-CB 4.48Å; L101-L131 PolarHBondContact O-N 3.3Å; L101-W148 HydrophobicContact CD1-CE3 4.4Å; L101-W148 HydrophobicContact CD1-CH2 3.8Å; L101-W148 HydrophobicContact CD1-CZ3 3.37Å; L101-L150 HydrophobicContact CD1-CD1 3.6Å; L101-L150 HydrophobicContact CG-CD1 4.41Å; L101-F164 HydrophobicContact CD1-CE2 4.49Å; L101-Y351 WeakPolarHBondContact O-CD2 3.5Å; L101-Y351 WeakPolarHBondContact O-CE2 3.31Å
102	T	98.4	Very high	98.2	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.012	3%	0.03	C	C	.	.	H	α-helix	trans	-115.6	-19.5	178	60.7	0	0	0	0	113.9	S98 R104 L124 Q128 Y351 L368	S98-T102 WeakPolarHBondContact O-CB 3.46Å; S98-T102 WeakPolarHBondContact O-CG2 3.28Å; S98-T102 PolarHBondContact O-N 2.84Å; S98-T102 PolarHBondContact O-OG1 3.15Å; T102-R104 WeakPolarHBondContact O-CG 3.17Å; T102-R104 PolarHBondContact O-N 3.31Å; T102-R104 PolarHBondContact OG1-N 2.97Å; T102-L124 HydrophobicContact CG2-CD1 3.79Å; T102-L124 HydrophobicContact CG2-CD2 3.81Å; T102-L124 HydrophobicContact CG2-CG 4.21Å; T102-Q128 HydrophobicContact CG2-CB 3.82Å; T102-Q128 HydrophobicContact CG2-CG 4.39Å; T102-Y351 WeakPolarHBondContact O-CD2 3.43Å; T102-L368 VanDerWaalsContact O-CD2 3.26Å; T102-L368 WeakPolarHBondContact O-CD2 3.25Å
103	G	98.3	Very high	98.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.03	C	C	.	.	S	Bend	trans	68.2	16.1	-170.5	0	0	0	0	0	113.6	Q99 T348 D369 G370	Q99-G103 VanDerWaalsContact O-CA 3.31Å; Q99-G103 WeakPolarHBondContact O-CA 3.47Å; Q99-G103 PolarHBondContact O-N 3.17Å; G103-T348 WeakPolarHBondContact CA-O 3.42Å; G103-D369 PolarHBondContact O-N 2.95Å; G103-G370 PolarHBondContact O-N 2.95Å
104	R	98.3	Very high	98.1	Very high	48 Å²	48	8 Å²	8	18%	0.181	4%	0.039	C	C	.	.			trans	-122.2	146.4	-175.3	-54.4	-174.2	81.8	-149.5	0.1	112.1	Q99 T102 H108 T109 G367 L368 D369	Q99-R104 WeakPolarHBondContact CA-O 3.49Å; Q99-R104 WeakPolarHBondContact CG-O 3.41Å; T102-R104 WeakPolarHBondContact O-CG 3.17Å; T102-R104 PolarHBondContact O-N 3.31Å; T102-R104 PolarHBondContact OG1-N 2.97Å; R104-H108 PolarHBondContact NH1-O 2.7Å; R104-T109 HydrophobicContact CB-CG2 4.42Å; R104-G367 PolarHBondContact NE-O 2.88Å; R104-L368 HydrophobicContact CG-CD2 4.31Å; R104-D369 VanDerWaalsContact CA-OD2 3.28Å; R104-D369 WeakPolarHBondContact CA-OD2 3.4Å
105	Y	98.7	Very high	98.1	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.016	5%	0.047	C	C	.	.			trans	-66.8	154	172.8	-69	-48.7	0	0	0	111.5	I107 H108 H346 T348 D369 R385 L389 Y495	Y105-I107 PolarHBondContact O-N 2.84Å; Y105-H108 PolarHBondContact O-N 2.86Å; Y105-H346 AromaticContact CE1-CE1 3.71Å; Y105-H346 AromaticContact CE1-ND1 3.8Å; Y105-T348 HydrophobicContact CD1-CG2 4.28Å; Y105-T348 HydrophobicContact CE1-CG2 4.28Å; Y105-D369 HydrophobicContact CD1-CB 4.49Å; Y105-D369 HydrophobicContact CD2-CB 3.45Å; Y105-D369 VanDerWaalsContact CD2-CB 3.45Å; Y105-D369 WeakPolarHBondContact CD2-OD1 3.36Å; Y105-D369 HydrophobicContact CE2-CB 3.58Å; Y105-D369 HydrophobicContact CG-CB 3.93Å; Y105-D369 PolarHBondContact N-OD2 3.04Å; Y105-R385 PolarHBondContact OH-NH1 2.85Å; Y105-L389 HydrophobicContact CD2-CB 4.22Å; Y105-L389 VanDerWaalsContact CE1-O 3.27Å; Y105-L389 WeakPolarHBondContact CE1-O 3.43Å; Y105-L389 HydrophobicContact CE2-CB 4Å; Y105-Y495 HydrophobicContact CE2-CE1 4.35Å
106	Q	98.1	Very high	98	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.009	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-61.4	-27.8	177.3	-69	148.1	-89.2	0	0	113.5	P95 Q99 H108 T109 G110 L111 Q112	P95-Q106 HydrophobicContact CB-CG 4.15Å; Q99-Q106 HydrophobicContact CG-CG 4.32Å; Q106-H108 PolarHBondContact O-N 2.84Å; Q106-H108 VanDerWaalsContact O-N 3.13Å; Q106-T109 WeakPolarHBondContact CA-OG1 3.23Å; Q106-T109 PolarHBondContact O-N 3.34Å; Q106-T109 VanDerWaalsContact O-N 3.09Å; Q106-T109 PolarHBondContact O-OG1 3.24Å; Q106-G110 PolarHBondContact O-N 2.92Å; Q106-L111 HydrophobicContact CB-CB 4.46Å; Q106-L111 HydrophobicContact CG-CB 4.26Å; Q106-L111 WeakPolarHBondContact CG-O 3.25Å; Q106-L111 PolarHBondContact NE2-O 3.36Å; Q106-L111 PolarHBondContact O-N 2.92Å; Q106-Q112 HydrophobicContact CB-CG 4.26Å
107	I	98.3	Very high	97.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-60.4	-19.7	173.8	61.5	156.2	0	0	0	112.3	Y105 Q112 L389 I392 Y495 A499 I500	Y105-I107 PolarHBondContact O-N 2.84Å; I107-Q112 HydrophobicContact CG2-CG 3.94Å; I107-L389 HydrophobicContact CD1-CD2 3.53Å; I107-L389 HydrophobicContact CG1-CD2 3.93Å; I107-L389 HydrophobicContact CG2-CD2 4.01Å; I107-I392 HydrophobicContact CG2-CB 4.21Å; I107-I392 HydrophobicContact CG2-CD1 4.5Å; I107-Y495 HydrophobicContact CD1-CD1 4.21Å; I107-A499 HydrophobicContact CB-CB 3.85Å; I107-A499 HydrophobicContact CG2-CB 4.27Å; I107-A499 CarbonylContact O-C 3.57Å; I107-A499 WeakPolarHBondContact O-CA 3.4Å; I107-I500 WeakPolarHBondContact O-CG1 3.37Å; I107-I500 PolarHBondContact O-N 2.71Å
108	H	98	Very high	97.8	Very high	26 Å²	26	14.9 Å²	14.9	12%	0.12	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-102.8	-4.5	178.1	-60.9	150.1	0	0	0	113.7	R104 Y105 Q106 D369 T498	R104-H108 PolarHBondContact NH1-O 2.7Å; Y105-H108 PolarHBondContact O-N 2.86Å; Q106-H108 PolarHBondContact O-N 2.84Å; Q106-H108 VanDerWaalsContact O-N 3.13Å; H108-D369 IonicContact CE1-OD1 3.91Å; H108-D369 PolarHBondContact CE1-OD1 2.87Å; H108-D369 IonicContact CE1-OD2 3.65Å; H108-D369 IonicContact CG-OD2 3.02Å; H108-D369 IonicContact ND1-OD1 3.11Å; H108-D369 PolarHBondContact ND1-OD1 2.87Å; H108-D369 IonicContact ND1-OD2 3.61Å; H108-D369 PolarHBondContact ND1-OD2 3.25Å; H108-T498 PolarHBondContact CD2-O 3.33Å; H108-T498 PolarHBondContact NE2-OG1 3.49Å
109	T	97.1	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-8.5	178.1	64.3	0	0	0	0	113.5	R104 Q106 L111 P125 Q128	R104-T109 HydrophobicContact CB-CG2 4.42Å; Q106-T109 WeakPolarHBondContact CA-OG1 3.23Å; Q106-T109 PolarHBondContact O-N 3.34Å; Q106-T109 VanDerWaalsContact O-N 3.09Å; Q106-T109 PolarHBondContact O-OG1 3.24Å; T109-L111 VanDerWaalsContact C-N 3.29Å; T109-P125 WeakPolarHBondContact O-CG 3.36Å; T109-Q128 HydrophobicContact CG2-CG 4.43Å
110	G	97.8	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	13.1	-178	0	0	0	0	0	113	Q106 Q112 R503	Q106-G110 PolarHBondContact O-N 2.92Å; G110-Q112 PolarHBondContact O-OE1 3.35Å; G110-R503 WeakPolarHBondContact O-CA 3.34Å; G110-R503 WeakPolarHBondContact O-CB 3.34Å; G110-R503 PolarHBondContact O-N 2.94Å
111	L	98.1	Very high	97.5	Very high	7 Å²	7	19.1 Å²	19.1	4%	0.037	9%	0.089	C	C	.	.			trans	-101.9	30.6	-177.2	-61.1	178	0	0	0	112.5	T94 Q106 T109 H113 I116 L124	T94-L111 HydrophobicContact CG2-CD1 4.35Å; Q106-L111 HydrophobicContact CB-CB 4.46Å; Q106-L111 HydrophobicContact CG-CB 4.26Å; Q106-L111 WeakPolarHBondContact CG-O 3.25Å; Q106-L111 PolarHBondContact NE2-O 3.36Å; Q106-L111 PolarHBondContact O-N 2.92Å; T109-L111 VanDerWaalsContact C-N 3.29Å; L111-H113 VanDerWaalsContact C-N 3.32Å; L111-H113 PolarHBondContact O-N 2.76Å; L111-I116 HydrophobicContact CD1-CD1 4.48Å; L111-I116 HydrophobicContact CD2-CD1 3.89Å; L111-I116 HydrophobicContact CD2-CG1 4.12Å; L111-L124 HydrophobicContact CD1-CD1 4.17Å
112	Q	97.7	Very high	97.4	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.028	9%	0.09	C	C	.	.			trans	-66.5	-36.1	-176.1	-57.2	94	-41.6	0	0	112.3	Q106 I107 G110 N391 I392 I500 V502	Q106-Q112 HydrophobicContact CB-CG 4.26Å; I107-Q112 HydrophobicContact CG2-CG 3.94Å; G110-Q112 PolarHBondContact O-OE1 3.35Å; Q112-N391 PolarHBondContact O-ND2 2.99Å; Q112-I392 WeakPolarHBondContact CB-O 3.34Å; Q112-I392 WeakPolarHBondContact CG-O 3.36Å; Q112-I500 PolarHBondContact NE2-O 3.47Å; Q112-V502 HydrophobicContact CB-CG2 4.22Å; Q112-V502 HydrophobicContact CG-CG2 4.47Å
113	H	97.3	Very high	97.4	Very high	36 Å²	36	19.1 Å²	19.1	17%	0.167	9%	0.089	C	C	.	.	S	Bend	trans	-98.2	123.2	-172.2	-173	66.1	0	0	0	111.8	L111 D393 L395 V502 Y504	L111-H113 VanDerWaalsContact C-N 3.32Å; L111-H113 PolarHBondContact O-N 2.76Å; H113-D393 WeakPolarHBondContact CA-OD2 3.27Å; H113-D393 IonicContact CE1-OD2 3.54Å; H113-D393 IonicContact CG-OD1 3.42Å; H113-D393 IonicContact CG-OD2 2.97Å; H113-D393 IonicContact ND1-OD1 2.8Å; H113-D393 PolarHBondContact ND1-OD1 2.95Å; H113-D393 VanDerWaalsContact ND1-OD1 3.16Å; H113-D393 IonicContact ND1-OD2 3.31Å; H113-D393 PolarHBondContact ND1-OD2 3.49Å; H113-L395 HydrophobicContact CB-CB 4.26Å; H113-L395 HydrophobicContact CB-CD1 4.19Å; H113-V502 HydrophobicContact CB-CG1 3.55Å; H113-Y504 AromaticContact CD2-CD1 3.66Å; H113-Y504 AromaticContact CD2-CD2 3.8Å; H113-Y504 AromaticContact CD2-CE1 3.75Å; H113-Y504 AromaticContact CD2-CE2 3.9Å; H113-Y504 AromaticContact CD2-CG 3.67Å; H113-Y504 AromaticContact CD2-CZ 3.85Å
114	S	95.1	Very high	97.4	Very high	30 Å²	30	19.1 Å²	19.1	21%	0.21	9%	0.09	C	C	.	.	S	Bend	trans	55.8	-152.9	170.3	-169.2	0	0	0	0	113	I92 Y504	I92-S114 WeakPolarHBondContact CD1-O 3.31Å; S114-Y504 PolarHBondContact OG-OH 3.05Å
115	I	97.1	Very high	97.4	Very high	33 Å²	33	17.5 Å²	17.5	17%	0.169	9%	0.085	C	C	.	.			trans	-111.5	169.5	175	56.6	163.7	0	0	0	110.6	I92 R117	I92-I115 HydrophobicContact CB-CG2 4.28Å; I92-I115 HydrophobicContact CD1-CG2 4.07Å; I92-I115 HydrophobicContact CG1-CG2 4.26Å; I115-R117 PolarHBondContact O-N 2.82Å
116	I	98.1	Very high	97.2	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.036	10%	0.104	C	C	.	.			trans	-81.4	114	169.9	-62.2	174.9	0	0	0	108.7	T94 L111 N122 H149	T94-I116 HydrophobicContact CG2-CB 4.25Å; T94-I116 HydrophobicContact CG2-CD1 3.71Å; T94-I116 HydrophobicContact CG2-CG1 3.63Å; T94-I116 PolarHBondContact OG1-N 3.17Å; L111-I116 HydrophobicContact CD1-CD1 4.48Å; L111-I116 HydrophobicContact CD2-CD1 3.89Å; L111-I116 HydrophobicContact CD2-CG1 4.12Å; I116-N122 HydrophobicContact CG2-CB 4.29Å; I116-N122 WeakPolarHBondContact CG2-O 3.46Å; I116-H149 PolarHBondContact O-NE2 3.32Å
117	R	96.4	Very high	97	Very high	99 Å²	99	27 Å²	27	37%	0.374	14%	0.136	S	C	.	.			trans	-77.3	151.9	178	-63.7	-70.6	-179.1	168.5	-1.5	111.8	I115 R119 Q120	I115-R117 PolarHBondContact O-N 2.82Å; R117-R119 PolarHBondContact O-N 3.37Å; R117-R119 VanDerWaalsContact O-N 3.1Å; R117-Q120 HydrophobicContact CB-CB 4.48Å; R117-Q120 HydrophobicContact CB-CG 3.95Å; R117-Q120 PolarHBondContact O-N 2.68Å
118	P	96.9	Very high	96.8	Very high	9 Å²	9	27.8 Å²	27.8	6%	0.058	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.7	-179.4	-30	37.9	0	0	0	114.3	F152 T172 D184 W520 W523	P118-F152 HydrophobicContact CB-CZ 4.09Å; P118-F152 WeakPolarHBondContact O-CZ 3.47Å; P118-T172 HydrophobicContact CB-CG2 4.09Å; P118-T172 HydrophobicContact CG-CG2 3.94Å; P118-D184 HydrophobicContact CB-CB 4.21Å; P118-D184 HydrophobicContact CG-CB 4.03Å; P118-W520 HydrophobicContact CB-CD2 4.13Å; P118-W520 HydrophobicContact CB-CE3 3.76Å; P118-W520 HydrophobicContact CB-CH2 3.69Å; P118-W520 HydrophobicContact CB-CZ2 4.07Å; P118-W520 HydrophobicContact CB-CZ3 3.52Å; P118-W523 WeakPolarHBondContact O-CH2 3.45Å; P118-W523 WeakPolarHBondContact O-CZ3 3.48Å
119	R	96.2	Very high	96.7	Very high	46 Å²	46	29.7 Å²	29.7	17%	0.174	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.3	-178.5	-63.8	-174.8	-76.8	118.4	12.8	115.4	R117 D184 E507 N508 A511 W520	R117-R119 PolarHBondContact O-N 3.37Å; R117-R119 VanDerWaalsContact O-N 3.1Å; R119-D184 IonicContact CZ-OD2 3.13Å; R119-D184 VanDerWaalsContact CZ-OD2 3.31Å; R119-D184 IonicContact NE-OD2 3.56Å; R119-D184 PolarHBondContact NE-OD2 2.93Å; R119-D184 PolarHBondContact NH2-O 3.29Å; R119-D184 IonicContact NH2-OD2 2.61Å; R119-D184 PolarHBondContact NH2-OD2 3.36Å; R119-E507 HydrophobicContact CB-CB 3.95Å; R119-E507 HydrophobicContact CB-CG 4.19Å; R119-E507 VanDerWaalsContact CZ-CD 3.42Å; R119-E507 IonicContact CZ-OE1 2.74Å; R119-E507 IonicContact CZ-OE2 3.79Å; R119-E507 IonicContact NH1-OE2 3.03Å; R119-E507 PolarHBondContact NH1-OE2 2.74Å; R119-E507 IonicContact NH2-OE1 2.79Å; R119-E507 PolarHBondContact NH2-OE1 3.01Å; R119-E507 IonicContact NH2-OE2 2.74Å; R119-E507 PolarHBondContact NH2-OE2 2.82Å; R119-E507 CarbonylContact O-C 3.58Å; R119-E507 WeakPolarHBondContact O-CA 3.22Å; R119-N508 PolarHBondContact O-N 2.8Å; R119-A511 HydrophobicContact CB-CB 3.86Å; R119-A511 HydrophobicContact CG-CB 3.81Å; R119-W520 HydrophobicContact CG-CH2 3.82Å; R119-W520 HydrophobicContact CG-CZ3 3.79Å
120	Q	96.3	Very high	96.7	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.028	15%	0.153	C	C	.	.	S	Bend	trans	-83.6	132.6	179.8	-77.6	177.9	-45.6	0	0	110.9	R117 N122 Y504 P505 E507	R117-Q120 HydrophobicContact CB-CB 4.48Å; R117-Q120 HydrophobicContact CB-CG 3.95Å; R117-Q120 PolarHBondContact O-N 2.68Å; Q120-N122 HydrophobicContact CB-CB 4.32Å; Q120-N122 PolarHBondContact O-N 3.2Å; Q120-Y504 VanDerWaalsContact NE2-CE2 3.29Å; Q120-P505 HydrophobicContact CB-CG 4.46Å; Q120-P505 WeakPolarHBondContact CG-O 3.44Å; Q120-P505 PolarHBondContact NE2-O 2.77Å; Q120-E507 HydrophobicContact CG-CG 4.34Å
121	P	97.1	Very high	96.8	Very high	38 Å²	38	29.7 Å²	29.7	25%	0.247	15%	0.153	C	C	.	.	S	Bend	trans	-76.1	63.4	170.5	33.4	-34.6	0	0	0	110	Y153 P505 A506	P121-Y153 HydrophobicContact CB-CD2 3.73Å; P121-Y153 HydrophobicContact CB-CE2 4.01Å; P121-Y153 HydrophobicContact CB-CG 4.23Å; P121-P505 HydrophobicContact CG-CB 4.07Å; P121-P505 HydrophobicContact CG-CG 4.09Å; P121-A506 WeakPolarHBondContact CD-O 3.43Å
122	N	97.3	Very high	96.8	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.011	15%	0.151	C	C	.	.			trans	-137.6	148.8	-178.5	-160.4	11	0	0	0	110.2	I116 Q120 G151 R503 P505	I116-N122 HydrophobicContact CG2-CB 4.29Å; I116-N122 WeakPolarHBondContact CG2-O 3.46Å; Q120-N122 HydrophobicContact CB-CB 4.32Å; Q120-N122 PolarHBondContact O-N 3.2Å; N122-G151 WeakPolarHBondContact O-CA 3.47Å; N122-R503 PolarHBondContact ND2-O 3.49Å; N122-R503 PolarHBondContact OD1-NH1 3.13Å; N122-R503 VanDerWaalsContact OD1-NH1 3.13Å; N122-R503 PolarHBondContact OD1-NH2 3.32Å; N122-P505 HydrophobicContact CB-CG 3.86Å
123	C	98.1	Very high	96.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	16%	0.162	C	C	.	.			trans	-155.6	172.1	171.1	73.2	0	0	0	0	110.1	L150 Y153 C157 R503	C123-L150 CarbonylContact C-O 3.58Å; C123-L150 VanDerWaalsContact CA-O 3.23Å; C123-L150 WeakPolarHBondContact CA-O 3.2Å; C123-L150 VanDerWaalsContact CB-O 3.25Å; C123-L150 WeakPolarHBondContact CB-O 3.35Å; C123-Y153 HydrophobicContact CB-CD1 4.19Å; C123-Y153 HydrophobicContact CB-CE1 4.14Å; C123-C157 HydrophobicContact CB-CB 3.39Å; C123-C157 WeakPolarHBondContact CB-SG 3.36Å; C123-C157 WeakPolarHBondContact SG-CB 3.36Å; C123-C157 CovalentContact SG-SG 2.05Å; C123-C157 PolarHBondContact SG-SG 2.96Å; C123-R503 PolarHBondContact O-NH1 3.37Å
124	L	97.9	Very high	96.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.162	C	C	.	.	S	Bend	trans	-48.8	125.1	167.9	-174.8	69.5	0	0	0	108.1	T102 L111 L126 T130 L150 R162	T102-L124 HydrophobicContact CG2-CD1 3.79Å; T102-L124 HydrophobicContact CG2-CD2 3.81Å; T102-L124 HydrophobicContact CG2-CG 4.21Å; L111-L124 HydrophobicContact CD1-CD1 4.17Å; L124-L126 PolarHBondContact O-N 3.36Å; L124-T130 HydrophobicContact CD2-CG2 3.9Å; L124-L150 HydrophobicContact CB-CB 4.25Å; L124-L150 HydrophobicContact CD2-CD1 4.39Å; L124-L150 PolarHBondContact N-O 3.38Å; L124-R162 PolarHBondContact O-NH1 3.08Å
125	P	97	Very high	97	Very high	13 Å²	13	30.4 Å²	30.4	8%	0.084	15%	0.152	C	C	.	.			trans	-54.4	136.9	-173.5	-18.8	25.6	0	0	0	111.4	T109 D127 Q128 R162	T109-P125 WeakPolarHBondContact O-CG 3.36Å; P125-D127 WeakPolarHBondContact CB-OD1 3.5Å; P125-D127 PolarHBondContact O-N 2.95Å; P125-Q128 HydrophobicContact CB-CG 3.96Å; P125-Q128 HydrophobicContact CG-CG 4.19Å; P125-Q128 WeakPolarHBondContact O-CB 3.26Å; P125-Q128 WeakPolarHBondContact O-CG 3.29Å; P125-Q128 PolarHBondContact O-N 3.47Å; P125-Q128 VanDerWaalsContact O-N 3.17Å; P125-R162 PolarHBondContact O-NH1 3.3Å; P125-R162 PolarHBondContact O-NH2 2.76Å
126	L	95.9	Very high	97	Very high	81 Å²	81	32.1 Å²	32.1	42%	0.424	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.5	-170.5	-58.9	-176.7	0	0	0	112.9	L124 Q128 E156	L124-L126 PolarHBondContact O-N 3.36Å; L126-Q128 PolarHBondContact O-N 3.21Å; L126-E156 HydrophobicContact CD1-CB 3.87Å; L126-E156 HydrophobicContact CD1-CG 4.35Å; L126-E156 HydrophobicContact CD2-CB 3.79Å; L126-E156 HydrophobicContact CG-CB 4.49Å
127	D	93.8	Very high	96.9	Very high	126 Å²	126	38 Å²	38	67%	0.674	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.7	175.4	67	-25.3	0	0	0	113.4	P125	P125-D127 WeakPolarHBondContact CB-OD1 3.5Å; P125-D127 PolarHBondContact O-N 2.95Å
128	Q	94.8	Very high	96.9	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.079	18%	0.182	C	C	.	.	S	Bend	trans	-85.8	115	175.6	-52	-53.1	-60.2	0	0	110.8	T102 T109 P125 L126 T130 R162	T102-Q128 HydrophobicContact CG2-CB 3.82Å; T102-Q128 HydrophobicContact CG2-CG 4.39Å; T109-Q128 HydrophobicContact CG2-CG 4.43Å; P125-Q128 HydrophobicContact CB-CG 3.96Å; P125-Q128 HydrophobicContact CG-CG 4.19Å; P125-Q128 WeakPolarHBondContact O-CB 3.26Å; P125-Q128 WeakPolarHBondContact O-CG 3.29Å; P125-Q128 PolarHBondContact O-N 3.47Å; P125-Q128 VanDerWaalsContact O-N 3.17Å; L126-Q128 PolarHBondContact O-N 3.21Å; Q128-T130 PolarHBondContact O-N 3.44Å; Q128-R162 PolarHBondContact O-NH2 3.34Å
129	V	95.1	Very high	96.8	Very high	65 Å²	65	36.3 Å²	36.3	39%	0.394	20%	0.198	S	C	.	.			trans	-70.1	118.7	171.7	-174.6	0	0	0	0	109.4	Q133 K134 Y351	V129-Q133 HydrophobicContact CG1-CB 4.16Å; V129-K134 HydrophobicContact CG1-CD 4.02Å; V129-K134 HydrophobicContact CG1-CG 3.99Å; V129-Y351 WeakPolarHBondContact O-CE2 3.43Å; V129-Y351 PolarHBondContact O-OH 3.1Å
130	T	97.9	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.			trans	-85.6	157.2	-175.1	67.6	0	0	0	0	112.1	L101 L124 Q128 P132 Q133 K134 R162	L101-T130 CarbonylContact O-C 3.54Å; L101-T130 WeakPolarHBondContact O-CA 3.43Å; L124-T130 HydrophobicContact CD2-CG2 3.9Å; Q128-T130 PolarHBondContact O-N 3.44Å; T130-P132 WeakPolarHBondContact OG1-CG 3.3Å; T130-Q133 WeakPolarHBondContact O-CB 3.44Å; T130-Q133 PolarHBondContact O-N 3.07Å; T130-Q133 VanDerWaalsContact O-N 3.09Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.33Å; T130-Q133 PolarHBondContact OG1-OE1 3.38Å; T130-K134 PolarHBondContact O-N 3.01Å; T130-R162 HydrophobicContact CG2-CB 4.31Å; T130-R162 PolarHBondContact OG1-O 3.41Å
131	L	98.6	Very high	97.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-50	-51.9	175.1	172.8	61.2	0	0	0	112.4	L101 Q133 K134 L135 F230 Y351 L354 V355	L101-L131 HydrophobicContact CD2-CB 4.48Å; L101-L131 PolarHBondContact O-N 3.3Å; L131-Q133 VanDerWaalsContact C-N 3.3Å; L131-Q133 PolarHBondContact O-N 3.39Å; L131-K134 PolarHBondContact O-N 3.34Å; L131-K134 VanDerWaalsContact O-N 3.13Å; L131-L135 HydrophobicContact CD1-CD1 3.88Å; L131-L135 HydrophobicContact CD1-CD2 4.43Å; L131-L135 HydrophobicContact CD1-CG 3.95Å; L131-L135 HydrophobicContact CG-CD1 3.95Å; L131-L135 HydrophobicContact CG-CG 4.39Å; L131-L135 WeakPolarHBondContact O-CG 3.3Å; L131-L135 PolarHBondContact O-N 3Å; L131-F230 HydrophobicContact CD2-CZ 4.03Å; L131-Y351 HydrophobicContact CB-CD2 3.72Å; L131-Y351 HydrophobicContact CB-CE2 4.03Å; L131-Y351 HydrophobicContact CB-CG 4.5Å; L131-L354 HydrophobicContact CD1-CB 4.03Å; L131-L354 HydrophobicContact CD2-CD1 3.78Å; L131-V355 HydrophobicContact CD1-CG2 3.83Å
132	P	98.6	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-32.8	178.8	28.1	-39.6	0	0	0	112.9	T130 L135 Q136 T142 R162 G163 F164 F230	T130-P132 WeakPolarHBondContact OG1-CG 3.3Å; P132-L135 PolarHBondContact O-N 2.9Å; P132-Q136 WeakPolarHBondContact O-CG 3.44Å; P132-Q136 PolarHBondContact O-N 3.16Å; P132-T142 HydrophobicContact CB-CG2 4.01Å; P132-R162 VanDerWaalsContact CG-O 3.28Å; P132-R162 WeakPolarHBondContact CG-O 3.48Å; P132-G163 WeakPolarHBondContact CB-O 3.19Å; P132-F164 HydrophobicContact CB-CD1 4.02Å; P132-F164 HydrophobicContact CB-CD2 4.45Å; P132-F164 HydrophobicContact CB-CE1 3.85Å; P132-F164 HydrophobicContact CB-CE2 4.3Å; P132-F164 HydrophobicContact CB-CG 4.33Å; P132-F164 HydrophobicContact CB-CZ 4Å; P132-F164 HydrophobicContact CG-CD1 4.46Å; P132-F164 HydrophobicContact CG-CD2 4.08Å; P132-F164 HydrophobicContact CG-CE1 4.14Å; P132-F164 HydrophobicContact CG-CE2 3.73Å; P132-F164 HydrophobicContact CG-CG 4.44Å; P132-F164 HydrophobicContact CG-CZ 3.76Å; P132-F230 HydrophobicContact CB-CD1 4.09Å; P132-F230 HydrophobicContact CB-CE1 4.03Å
133	Q	98	Very high	97.2	Very high	57 Å²	57	33.2 Å²	33.2	27%	0.266	18%	0.183	S	C	.	.	H	α-helix	trans	-62	-44	171.9	-69.2	173.8	-54.4	0	0	111.5	V129 T130 L131 L135 Q136 E137	V129-Q133 HydrophobicContact CG1-CB 4.16Å; T130-Q133 WeakPolarHBondContact O-CB 3.44Å; T130-Q133 PolarHBondContact O-N 3.07Å; T130-Q133 VanDerWaalsContact O-N 3.09Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.33Å; T130-Q133 PolarHBondContact OG1-OE1 3.38Å; L131-Q133 VanDerWaalsContact C-N 3.3Å; L131-Q133 PolarHBondContact O-N 3.39Å; Q133-L135 VanDerWaalsContact C-N 3.32Å; Q133-L135 PolarHBondContact O-N 3.26Å; Q133-Q136 WeakPolarHBondContact O-CB 3.05Å; Q133-Q136 PolarHBondContact O-N 2.96Å; Q133-E137 WeakPolarHBondContact O-CG 3.33Å; Q133-E137 PolarHBondContact O-N 2.84Å
134	K	97.2	Very high	97.3	Very high	37 Å²	37	33.2 Å²	33.2	16%	0.161	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-35.6	174	-74.6	-53.4	-168.5	-176	0	113.5	V129 T130 L131 E137 A138 Y351 V355	V129-K134 HydrophobicContact CG1-CD 4.02Å; V129-K134 HydrophobicContact CG1-CG 3.99Å; T130-K134 PolarHBondContact O-N 3.01Å; L131-K134 PolarHBondContact O-N 3.34Å; L131-K134 VanDerWaalsContact O-N 3.13Å; K134-E137 WeakPolarHBondContact CD-OE2 3.28Å; K134-E137 IonicContact NZ-OE1 3.56Å; K134-E137 IonicContact NZ-OE2 2.83Å; K134-E137 PolarHBondContact NZ-OE2 3.14Å; K134-E137 WeakPolarHBondContact O-CB 3.48Å; K134-E137 PolarHBondContact O-N 2.77Å; K134-A138 PolarHBondContact O-N 2.68Å; K134-Y351 HydrophobicContact CG-CE1 4.18Å; K134-Y351 WeakPolarHBondContact CG-OH 3.39Å; K134-V355 HydrophobicContact CB-CG2 3.69Å; K134-V355 HydrophobicContact CG-CG2 4.3Å
135	L	98.3	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.9	-34.6	176.3	-65.5	175.9	0	0	0	111.7	I49 L131 P132 Q133 A138 G139 Y140 T142 F230 A358	I49-L135 HydrophobicContact CD1-CD1 4.35Å; I49-L135 HydrophobicContact CD1-CD2 4.1Å; L131-L135 HydrophobicContact CD1-CD1 3.88Å; L131-L135 HydrophobicContact CD1-CD2 4.43Å; L131-L135 HydrophobicContact CD1-CG 3.95Å; L131-L135 HydrophobicContact CG-CD1 3.95Å; L131-L135 HydrophobicContact CG-CG 4.39Å; L131-L135 WeakPolarHBondContact O-CG 3.3Å; L131-L135 PolarHBondContact O-N 3Å; P132-L135 PolarHBondContact O-N 2.9Å; Q133-L135 VanDerWaalsContact C-N 3.32Å; Q133-L135 PolarHBondContact O-N 3.26Å; L135-A138 CarbonylContact O-C 3.23Å; L135-A138 WeakPolarHBondContact O-CA 3.43Å; L135-A138 PolarHBondContact O-N 3.31Å; L135-A138 VanDerWaalsContact O-N 3.12Å; L135-G139 PolarHBondContact O-N 3.45Å; L135-Y140 HydrophobicContact CB-CG 4.14Å; L135-Y140 VanDerWaalsContact O-CB 3.3Å; L135-Y140 WeakPolarHBondContact O-CB 3.2Å; L135-Y140 PolarHBondContact O-N 3.11Å; L135-T142 HydrophobicContact CB-CG2 4.36Å; L135-F230 HydrophobicContact CD1-CB 3.76Å; L135-F230 HydrophobicContact CD1-CD1 3.62Å; L135-F230 HydrophobicContact CD1-CD2 3.9Å; L135-F230 HydrophobicContact CD1-CE1 4.14Å; L135-F230 HydrophobicContact CD1-CE2 4.4Å; L135-F230 HydrophobicContact CD1-CG 3.47Å; L135-F230 VanDerWaalsContact CD1-CG 3.47Å; L135-A358 HydrophobicContact CD2-CB 3.46Å; L135-A358 VanDerWaalsContact CD2-CB 3.46Å
136	Q	97.3	Very high	97.4	Very high	69 Å²	69	32.6 Å²	32.6	32%	0.322	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-43.2	170.7	-75.4	176.7	-39.9	0	0	111.5	P132 Q133 A138 G139 T142 G163 D165	P132-Q136 WeakPolarHBondContact O-CG 3.44Å; P132-Q136 PolarHBondContact O-N 3.16Å; Q133-Q136 WeakPolarHBondContact O-CB 3.05Å; Q133-Q136 PolarHBondContact O-N 2.96Å; Q136-A138 PolarHBondContact O-N 3.06Å; Q136-G139 PolarHBondContact O-N 2.62Å; Q136-T142 HydrophobicContact CG-CG2 3.74Å; Q136-G163 PolarHBondContact NE2-O 2.77Å; Q136-G163 VanDerWaalsContact NE2-O 3.16Å; Q136-G163 PolarHBondContact OE1-O 3.21Å; Q136-D165 PolarHBondContact NE2-OD1 3.23Å
137	E	96	Very high	97.5	Very high	131 Å²	131	28.7 Å²	28.7	61%	0.612	16%	0.159	S	C	*	.	H	α-helix	trans	-56.6	-34.4	172.5	-69.6	171.2	-162.6	0	0	111.6	Q133 K134 G139	Q133-E137 WeakPolarHBondContact O-CG 3.33Å; Q133-E137 PolarHBondContact O-N 2.84Å; K134-E137 WeakPolarHBondContact CD-OE2 3.28Å; K134-E137 IonicContact NZ-OE1 3.56Å; K134-E137 IonicContact NZ-OE2 2.83Å; K134-E137 PolarHBondContact NZ-OE2 3.14Å; K134-E137 WeakPolarHBondContact O-CB 3.48Å; K134-E137 PolarHBondContact O-N 2.77Å; E137-G139 VanDerWaalsContact C-N 3.28Å; E137-G139 PolarHBondContact O-N 3.02Å
138	A	96	Very high	97.8	Very high	32 Å²	32	22.8 Å²	22.8	26%	0.264	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	6.9	174.9	0	0	0	0	0	114.4	K134 L135 Q136 Y140 A358	K134-A138 PolarHBondContact O-N 2.68Å; L135-A138 CarbonylContact O-C 3.23Å; L135-A138 WeakPolarHBondContact O-CA 3.43Å; L135-A138 PolarHBondContact O-N 3.31Å; L135-A138 VanDerWaalsContact O-N 3.12Å; Q136-A138 PolarHBondContact O-N 3.06Å; A138-Y140 HydrophobicContact CB-CD2 4.22Å; A138-Y140 HydrophobicContact CB-CE2 4.47Å; A138-A358 HydrophobicContact CB-CB 4Å
139	G	96.4	Very high	98	Very high	39 Å²	39	22.3 Å²	22.3	40%	0.402	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	13.7	174.3	0	0	0	0	0	116	L135 Q136 E137	L135-G139 PolarHBondContact O-N 3.45Å; Q136-G139 PolarHBondContact O-N 2.62Å; E137-G139 VanDerWaalsContact C-N 3.28Å; E137-G139 PolarHBondContact O-N 3.02Å
140	Y	98.5	Very high	98.1	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.012	11%	0.106	C	C	.	.			trans	-77.7	142.5	178.3	-77.4	-121.3	0	0	0	112	P46 P47 I49 L135 A138 P228 L229 F230 A358	P46-Y140 HydrophobicContact CB-CE2 3.98Å; P46-Y140 VanDerWaalsContact CB-OH 3.22Å; P46-Y140 WeakPolarHBondContact CB-OH 3.45Å; P47-Y140 VanDerWaalsContact O-CE1 3.24Å; P47-Y140 WeakPolarHBondContact O-CE1 3.44Å; P47-Y140 PolarHBondContact O-OH 2.83Å; I49-Y140 HydrophobicContact CD1-CE1 3.75Å; I49-Y140 HydrophobicContact CG1-CE1 4.02Å; L135-Y140 HydrophobicContact CB-CG 4.14Å; L135-Y140 VanDerWaalsContact O-CB 3.3Å; L135-Y140 WeakPolarHBondContact O-CB 3.2Å; L135-Y140 PolarHBondContact O-N 3.11Å; A138-Y140 HydrophobicContact CB-CD2 4.22Å; A138-Y140 HydrophobicContact CB-CE2 4.47Å; Y140-P228 HydrophobicContact CD1-CB 3.91Å; Y140-P228 HydrophobicContact CD2-CB 3.92Å; Y140-P228 HydrophobicContact CD2-CG 3.99Å; Y140-P228 HydrophobicContact CE1-CB 3.72Å; Y140-P228 HydrophobicContact CE2-CB 3.73Å; Y140-P228 HydrophobicContact CE2-CG 4.04Å; Y140-P228 HydrophobicContact CG-CB 3.98Å; Y140-P228 HydrophobicContact CG-CG 4.31Å; Y140-L229 VanDerWaalsContact CD1-C 3.5Å; Y140-F230 HydrophobicContact CD1-CB 4.09Å; Y140-A358 HydrophobicContact CD2-CB 4.12Å; Y140-A358 HydrophobicContact CE2-CB 3.33Å; Y140-A358 WeakPolarHBondContact OH-CA 3.47Å
141	S	98.6	Very high	98.2	Very high	8 Å²	8	19.3 Å²	19.3	6%	0.056	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.2	152.4	-81.2	0	0	0	0	109.6	H143 D165 H223 R227 P228 L229 F230	S141-H143 WeakPolarHBondContact CB-NE2 3.33Å; S141-D165 WeakPolarHBondContact CA-OD2 3.48Å; S141-H223 VanDerWaalsContact CB-CE1 3.48Å; S141-H223 WeakPolarHBondContact CB-CE1 3.4Å; S141-H223 PolarHBondContact OG-CE1 3.12Å; S141-H223 PolarHBondContact OG-ND1 3.05Å; S141-R227 PolarHBondContact OG-NE 3.4Å; S141-R227 PolarHBondContact OG-NH2 3.37Å; S141-P228 PolarHBondContact N-O 2.62Å; S141-L229 CarbonylContact O-C 3.38Å; S141-L229 WeakPolarHBondContact O-CA 3.49Å; S141-F230 PolarHBondContact O-N 3.1Å
142	T	98.9	Very high	98.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.8	-177.4	53.5	0	0	0	0	111.2	P132 L135 Q136 G163 F164 D165 T166 F230	P132-T142 HydrophobicContact CB-CG2 4.01Å; L135-T142 HydrophobicContact CB-CG2 4.36Å; Q136-T142 HydrophobicContact CG-CG2 3.74Å; T142-G163 WeakPolarHBondContact CB-O 3.11Å; T142-G163 PolarHBondContact OG1-O 2.97Å; T142-F164 WeakPolarHBondContact OG1-CA 3.27Å; T142-D165 PolarHBondContact N-OD2 3.33Å; T142-D165 WeakPolarHBondContact O-CA 3.41Å; T142-D165 WeakPolarHBondContact O-CB 3.25Å; T142-D165 PolarHBondContact O-N 3.34Å; T142-D165 VanDerWaalsContact OG1-CG 3.3Å; T142-D165 PolarHBondContact OG1-N 2.78Å; T142-D165 PolarHBondContact OG1-OD2 3.28Å; T142-T166 PolarHBondContact O-N 2.96Å; T142-F230 WeakPolarHBondContact CA-O 3.37Å; T142-F230 HydrophobicContact CG2-CB 4.25Å; T142-F230 HydrophobicContact CG2-CD1 4.2Å
143	H	98.9	Very high	98.1	Very high	17 Å²	17	21.4 Å²	21.4	8%	0.079	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.4	-176.5	-55.4	-78.1	0	0	0	110	S141 T166 I219 F230 L231 Y232	S141-H143 WeakPolarHBondContact CB-NE2 3.33Å; H143-T166 PolarHBondContact ND1-OG1 3.15Å; H143-I219 HydrophobicContact CB-CD1 3.9Å; H143-I219 HydrophobicContact CB-CG2 4.27Å; H143-F230 PolarHBondContact N-O 3.05Å; H143-L231 HydrophobicContact CB-CD1 3.8Å; H143-L231 WeakPolarHBondContact O-CA 3.39Å; H143-Y232 PolarHBondContact O-N 2.8Å
144	M	98.9	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.1	172.1	178.5	172	175.4	0	0	110.6	K147 W148 P159 F164 T166 F167 L168 Y232 A234	M144-K147 VanDerWaalsContact CE-C 3.42Å; M144-K147 WeakPolarHBondContact CE-O 3.46Å; M144-W148 HydrophobicContact CE-CB 4.06Å; M144-W148 HydrophobicContact CE-CE3 3.83Å; M144-W148 HydrophobicContact SD-CE3 3.66Å; M144-W148 HydrophobicContact SD-CZ3 4.11Å; M144-P159 HydrophobicContact SD-CB 4.13Å; M144-P159 HydrophobicContact SD-CG 4.32Å; M144-F164 HydrophobicContact CB-CB 4.32Å; M144-F164 HydrophobicContact CB-CD1 3.6Å; M144-F164 HydrophobicContact CB-CD2 3.92Å; M144-F164 HydrophobicContact CB-CE1 3.75Å; M144-F164 HydrophobicContact CB-CE2 4.05Å; M144-F164 HydrophobicContact CB-CG 3.68Å; M144-F164 HydrophobicContact CB-CZ 3.98Å; M144-F164 HydrophobicContact CG-CE2 4.43Å; M144-F164 HydrophobicContact CG-CZ 4.44Å; M144-F164 HydrophobicContact SD-CD2 4.07Å; M144-F164 HydrophobicContact SD-CE2 3.75Å; M144-F164 HydrophobicContact SD-CZ 4.2Å; M144-T166 PolarHBondContact N-O 2.71Å; M144-F167 HydrophobicContact CB-CD2 4.04Å; M144-F167 HydrophobicContact CE-CE2 4.01Å; M144-F167 HydrophobicContact CG-CD2 3.84Å; M144-F167 HydrophobicContact CG-CE2 4.1Å; M144-F167 WeakPolarHBondContact O-CA 3.39Å; M144-F167 HydrophobicContact SD-CD2 4.08Å; M144-F167 HydrophobicContact SD-CE2 4.06Å; M144-L168 PolarHBondContact O-N 2.98Å; M144-L168 VanDerWaalsContact O-N 3.1Å; M144-Y232 WeakPolarHBondContact CA-O 3.27Å; M144-Y232 HydrophobicContact CB-CD1 4.47Å; M144-Y232 HydrophobicContact CE-CD1 4.08Å; M144-Y232 HydrophobicContact CE-CE1 3.85Å; M144-Y232 HydrophobicContact CG-CD1 3.82Å; M144-Y232 HydrophobicContact SD-CD1 3.79Å; M144-Y232 HydrophobicContact SD-CE1 4.05Å; M144-A234 HydrophobicContact CE-CB 4.15Å
145	V	98.9	Very high	98	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.5	171.1	-169.8	0	0	0	0	109.3	L168 Y212 R215 I219 L231 Y232 V233 A234	V145-L168 CarbonylContact C-O 3.44Å; V145-L168 VanDerWaalsContact CA-O 3.25Å; V145-L168 WeakPolarHBondContact CA-O 3.38Å; V145-L168 HydrophobicContact CG1-CB 4.49Å; V145-Y212 VanDerWaalsContact CG1-CA 3.5Å; V145-Y212 HydrophobicContact CG1-CD1 3.59Å; V145-Y212 HydrophobicContact CG1-CG 3.75Å; V145-R215 HydrophobicContact CG1-CB 4.05Å; V145-R215 HydrophobicContact CG1-CG 4.15Å; V145-R215 HydrophobicContact CG2-CB 4.33Å; V145-R215 HydrophobicContact CG2-CG 3.77Å; V145-I219 HydrophobicContact CG2-CD1 3.86Å; V145-L231 HydrophobicContact CG2-CD1 4.31Å; V145-Y232 PolarHBondContact N-O 3.45Å; V145-V233 CarbonylContact O-C 3.59Å; V145-V233 WeakPolarHBondContact O-CA 3.42Å; V145-A234 PolarHBondContact O-N 2.73Å
146	G	98.8	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.9	-151.4	175.9	0	0	0	0	0	115	W148 F167 L168 G169 S170 A234	G146-W148 PolarHBondContact O-N 2.98Å; G146-F167 WeakPolarHBondContact O-CE2 3.49Å; G146-L168 PolarHBondContact N-O 3.35Å; G146-G169 WeakPolarHBondContact O-CA 3.16Å; G146-S170 PolarHBondContact O-N 3.18Å; G146-A234 CarbonylContact C-O 3.6Å; G146-A234 VanDerWaalsContact CA-O 3.27Å; G146-A234 WeakPolarHBondContact CA-O 3.47Å
147	K	98.9	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.			trans	-71.1	124.9	-167.5	172.1	177.4	161.6	177.4	0	113.2	D55 C93 R97 M144 H149 G173 A234	D55-K147 VanDerWaalsContact CG-NZ 3.27Å; D55-K147 IonicContact OD1-NZ 3.87Å; D55-K147 PolarHBondContact OD1-NZ 3.37Å; D55-K147 VanDerWaalsContact OD1-NZ 3.15Å; D55-K147 WeakPolarHBondContact OD2-CD 3.25Å; D55-K147 WeakPolarHBondContact OD2-CE 3.22Å; D55-K147 IonicContact OD2-NZ 3.12Å; D55-K147 PolarHBondContact OD2-NZ 3.31Å; C93-K147 PolarHBondContact SG-NZ 2.79Å; R97-K147 PolarHBondContact NH1-O 3.01Å; M144-K147 VanDerWaalsContact CE-C 3.42Å; M144-K147 WeakPolarHBondContact CE-O 3.46Å; K147-H149 HydrophobicContact CD-CB 4.41Å; K147-H149 WeakPolarHBondContact CE-ND1 3.19Å; K147-H149 HydrophobicContact CG-CB 3.98Å; K147-G173 WeakPolarHBondContact CE-O 3.25Å; K147-G173 PolarHBondContact NZ-O 3.38Å; K147-A234 PolarHBondContact N-O 3.15Å; K147-A234 WeakPolarHBondContact O-CB 3.41Å
148	W	98.8	Very high	98.1	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.008	10%	0.095	C	C	.	.			trans	-83	-71.4	174.2	179.2	-131.2	0	0	0	112.8	L101 M144 G146 L150 G151 C157 P159 R162 F164 F167 S170 L171	L101-W148 HydrophobicContact CD1-CE3 4.4Å; L101-W148 HydrophobicContact CD1-CH2 3.8Å; L101-W148 HydrophobicContact CD1-CZ3 3.37Å; M144-W148 HydrophobicContact CE-CB 4.06Å; M144-W148 HydrophobicContact CE-CE3 3.83Å; M144-W148 HydrophobicContact SD-CE3 3.66Å; M144-W148 HydrophobicContact SD-CZ3 4.11Å; G146-W148 PolarHBondContact O-N 2.98Å; W148-L150 VanDerWaalsContact C-N 3.27Å; W148-L150 HydrophobicContact CD2-CB 4.01Å; W148-L150 HydrophobicContact CD2-CD1 4.47Å; W148-L150 HydrophobicContact CD2-CG 4.46Å; W148-L150 HydrophobicContact CE3-CB 4.49Å; W148-L150 HydrophobicContact CE3-CD1 4.14Å; W148-L150 HydrophobicContact CH2-CB 4.25Å; W148-L150 HydrophobicContact CH2-CD1 3.74Å; W148-L150 HydrophobicContact CZ2-CB 3.72Å; W148-L150 HydrophobicContact CZ2-CD1 4.09Å; W148-L150 HydrophobicContact CZ2-CG 4.48Å; W148-L150 HydrophobicContact CZ3-CD1 3.78Å; W148-L150 PolarHBondContact O-N 3.11Å; W148-G151 PolarHBondContact NE1-O 3.22Å; W148-G151 VanDerWaalsContact NE1-O 3.1Å; W148-C157 PolarHBondContact NE1-O 3.28Å; W148-P159 HydrophobicContact CB-CG 4.06Å; W148-P159 HydrophobicContact CD2-CB 4.42Å; W148-P159 HydrophobicContact CD2-CG 3.65Å; W148-P159 HydrophobicContact CE3-CB 4.35Å; W148-P159 HydrophobicContact CE3-CG 3.98Å; W148-P159 HydrophobicContact CG-CG 3.69Å; W148-R162 HydrophobicContact CH2-CB 4Å; W148-R162 HydrophobicContact CH2-CG 4.41Å; W148-R162 HydrophobicContact CZ2-CB 4.15Å; W148-R162 HydrophobicContact CZ2-CG 4.07Å; W148-F164 HydrophobicContact CZ3-CE2 4.05Å; W148-F167 HydrophobicContact CB-CZ 4.48Å; W148-S170 WeakPolarHBondContact CB-O 3.09Å; W148-S170 PolarHBondContact N-O 2.77Å; W148-L171 HydrophobicContact CB-CD2 4.34Å
149	H	98.7	Very high	98.2	Very high	6 Å²	6	16 Å²	16	3%	0.028	8%	0.083	C	C	.	.			trans	58.3	30.4	176.3	-157.7	-166.8	0	0	0	115.9	C93 T94 I116 K147 L171 G173	C93-H149 VanDerWaalsContact CB-ND1 3.32Å; C93-H149 WeakPolarHBondContact CB-ND1 3.41Å; T94-H149 PolarHBondContact OG1-CD2 2.68Å; T94-H149 PolarHBondContact OG1-NE2 2.75Å; T94-H149 PolarHBondContact OG1-O 2.83Å; I116-H149 PolarHBondContact O-NE2 3.32Å; K147-H149 HydrophobicContact CD-CB 4.41Å; K147-H149 WeakPolarHBondContact CE-ND1 3.19Å; K147-H149 HydrophobicContact CG-CB 3.98Å; H149-L171 WeakPolarHBondContact CA-O 3.25Å; H149-L171 PolarHBondContact N-O 2.88Å; H149-L171 VanDerWaalsContact N-O 3.08Å; H149-G173 VanDerWaalsContact CD2-CA 3.48Å; H149-G173 WeakPolarHBondContact CD2-CA 3.13Å; H149-G173 VanDerWaalsContact CE1-CA 3.41Å; H149-G173 WeakPolarHBondContact CE1-CA 2.96Å; H149-G173 WeakPolarHBondContact NE2-CA 3.34Å
150	L	98.7	Very high	98.3	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	7%	0.074	C	C	.	.	S	Bend	trans	-118.1	24.1	175.5	-65.1	177.7	0	0	0	113	T94 R97 L101 C123 L124 W148	T94-L150 HydrophobicContact CG2-CD2 3.95Å; R97-L150 HydrophobicContact CB-CD1 4.24Å; R97-L150 HydrophobicContact CB-CD2 3.9Å; R97-L150 HydrophobicContact CB-CG 4.15Å; L101-L150 HydrophobicContact CD1-CD1 3.6Å; L101-L150 HydrophobicContact CG-CD1 4.41Å; C123-L150 CarbonylContact C-O 3.58Å; C123-L150 VanDerWaalsContact CA-O 3.23Å; C123-L150 WeakPolarHBondContact CA-O 3.2Å; C123-L150 VanDerWaalsContact CB-O 3.25Å; C123-L150 WeakPolarHBondContact CB-O 3.35Å; L124-L150 HydrophobicContact CB-CB 4.25Å; L124-L150 HydrophobicContact CD2-CD1 4.39Å; L124-L150 PolarHBondContact N-O 3.38Å; W148-L150 VanDerWaalsContact C-N 3.27Å; W148-L150 HydrophobicContact CD2-CB 4.01Å; W148-L150 HydrophobicContact CD2-CD1 4.47Å; W148-L150 HydrophobicContact CD2-CG 4.46Å; W148-L150 HydrophobicContact CE3-CB 4.49Å; W148-L150 HydrophobicContact CE3-CD1 4.14Å; W148-L150 HydrophobicContact CH2-CB 4.25Å; W148-L150 HydrophobicContact CH2-CD1 3.74Å; W148-L150 HydrophobicContact CZ2-CB 3.72Å; W148-L150 HydrophobicContact CZ2-CD1 4.09Å; W148-L150 HydrophobicContact CZ2-CG 4.48Å; W148-L150 HydrophobicContact CZ3-CD1 3.78Å; W148-L150 PolarHBondContact O-N 3.11Å
151	G	98.1	Very high	98.3	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.021	10%	0.098	C	C	.	.			trans	83.8	151.1	178.1	0	0	0	0	0	113.3	N122 W148 C157	N122-G151 WeakPolarHBondContact O-CA 3.47Å; W148-G151 PolarHBondContact NE1-O 3.22Å; W148-G151 VanDerWaalsContact NE1-O 3.1Å; G151-C157 WeakPolarHBondContact O-CB 3.4Å; G151-C157 VanDerWaalsContact O-O 3.11Å
152	F	97.9	Very high	98.3	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.026	10%	0.097	C	C	.	.			trans	-151.5	11.2	-171.4	57.6	-90.5	0	0	0	112.9	P118 R154 L158 L171 T172 W520 P522 W523	P118-F152 HydrophobicContact CB-CZ 4.09Å; P118-F152 WeakPolarHBondContact O-CZ 3.47Å; F152-R154 PolarHBondContact O-N 2.87Å; F152-R154 VanDerWaalsContact O-N 3.1Å; F152-L158 HydrophobicContact CB-CD2 3.98Å; F152-L171 HydrophobicContact CB-CB 4.05Å; F152-L171 HydrophobicContact CB-CD1 3.91Å; F152-L171 HydrophobicContact CB-CD2 4.48Å; F152-L171 HydrophobicContact CB-CG 4.38Å; F152-L171 HydrophobicContact CD1-CB 3.7Å; F152-L171 HydrophobicContact CD2-CB 4.44Å; F152-L171 HydrophobicContact CD2-CD1 4.32Å; F152-L171 HydrophobicContact CE1-CB 4.25Å; F152-L171 HydrophobicContact CG-CB 3.82Å; F152-L171 HydrophobicContact CG-CD1 4.14Å; F152-T172 HydrophobicContact CE1-CG2 3.83Å; F152-T172 HydrophobicContact CZ-CG2 3.75Å; F152-W520 HydrophobicContact CE2-CB 4.09Å; F152-W520 HydrophobicContact CE2-CE3 4.33Å; F152-W520 HydrophobicContact CZ-CB 4.27Å; F152-W520 HydrophobicContact CZ-CE3 4.21Å; F152-P522 VanDerWaalsContact O-CA 3.22Å; F152-P522 WeakPolarHBondContact O-CA 3.46Å; F152-P522 WeakPolarHBondContact O-CG 3.28Å; F152-W523 AromaticContact CD2-CZ3 3.87Å; F152-W523 HydrophobicContact CD2-CZ3 3.87Å; F152-W523 HydrophobicContact CE2-CE3 4.46Å; F152-W523 HydrophobicContact CE2-CH2 4.26Å; F152-W523 AromaticContact CE2-CZ3 3.51Å; F152-W523 HydrophobicContact CE2-CZ3 3.51Å; F152-W523 HydrophobicContact CZ-CZ3 4.26Å
153	Y	97.4	Very high	98.3	Very high	39 Å²	39	22.5 Å²	22.5	15%	0.153	10%	0.1	C	C	.	.	S	Bend	trans	-61.4	-23.6	-175.9	81.9	-74.7	0	0	0	113.7	P121 C123 C157 W523 A524	P121-Y153 HydrophobicContact CB-CD2 3.73Å; P121-Y153 HydrophobicContact CB-CE2 4.01Å; P121-Y153 HydrophobicContact CB-CG 4.23Å; C123-Y153 HydrophobicContact CB-CD1 4.19Å; C123-Y153 HydrophobicContact CB-CE1 4.14Å; Y153-C157 VanDerWaalsContact CE1-SG 3.53Å; Y153-W523 VanDerWaalsContact CB-CH2 3.42Å; Y153-W523 HydrophobicContact CG-CZ2 4.39Å; Y153-W523 PolarHBondContact O-N 3.42Å; Y153-A524 HydrophobicContact CD2-CB 3.88Å; Y153-A524 HydrophobicContact CE2-CB 4.29Å; Y153-A524 PolarHBondContact O-N 3.32Å; Y153-A524 VanDerWaalsContact O-N 3.08Å
154	R	96.1	Very high	98.3	Very high	19 Å²	19	21.8 Å²	21.8	7%	0.072	10%	0.096	C	C	.	.	S	Bend	trans	-123.4	159	171.3	-63.3	177.7	70.9	163.1	17.3	111.4	F152 E156 C157 A524 D526 E529	F152-R154 PolarHBondContact O-N 2.87Å; F152-R154 VanDerWaalsContact O-N 3.1Å; R154-E156 VanDerWaalsContact C-N 3.28Å; R154-E156 VanDerWaalsContact CB-OE2 3.23Å; R154-E156 WeakPolarHBondContact CB-OE2 3.42Å; R154-E156 IonicContact CZ-OE2 3.34Å; R154-E156 IonicContact NE-OE2 3.59Å; R154-E156 PolarHBondContact NE-OE2 2.81Å; R154-E156 IonicContact NH2-OE2 3.89Å; R154-E156 PolarHBondContact O-N 2.71Å; R154-C157 WeakPolarHBondContact O-CB 3.31Å; R154-C157 PolarHBondContact O-N 2.91Å; R154-C157 VanDerWaalsContact O-N 3.11Å; R154-A524 HydrophobicContact CG-CB 3.88Å; R154-D526 IonicContact NH2-OD1 2.97Å; R154-D526 PolarHBondContact NH2-OD1 2.94Å; R154-E529 IonicContact CZ-OE1 2.64Å; R154-E529 IonicContact CZ-OE2 2.68Å; R154-E529 IonicContact NH1-OE1 3.66Å; R154-E529 PolarHBondContact NH1-OE1 3.33Å; R154-E529 IonicContact NH1-OE2 2.62Å; R154-E529 IonicContact NH2-OE1 3.36Å; R154-E529 PolarHBondContact NH2-OE1 3.39Å; R154-E529 IonicContact NH2-OE2 2.79Å; R154-E529 PolarHBondContact NH2-OE2 2.79Å
155	K	96.8	Very high	98.3	Very high	121 Å²	121	25.4 Å²	25.4	53%	0.526	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-60.5	-37.2	176	-71.4	-174.2	178.3	179.5	0	112.2	C157 L158 R161 P522	K155-C157 PolarHBondContact O-N 2.85Å; K155-C157 VanDerWaalsContact O-N 3.1Å; K155-L158 VanDerWaalsContact O-CB 3.27Å; K155-L158 WeakPolarHBondContact O-CB 3.49Å; K155-L158 WeakPolarHBondContact O-CG 3.39Å; K155-L158 PolarHBondContact O-N 3.37Å; K155-R161 WeakPolarHBondContact O-CB 3.42Å; K155-R161 WeakPolarHBondContact O-CG 3.48Å; K155-P522 HydrophobicContact CG-CB 4.28Å; K155-P522 HydrophobicContact CG-CG 4.18Å
156	E	97.6	Very high	98.3	Very high	62 Å²	62	28.2 Å²	28.2	29%	0.29	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-63.2	-20.1	179.3	-59.9	65.2	-127.3	0	0	112.3	L126 R154 R162	L126-E156 HydrophobicContact CD1-CB 3.87Å; L126-E156 HydrophobicContact CD1-CG 4.35Å; L126-E156 HydrophobicContact CD2-CB 3.79Å; L126-E156 HydrophobicContact CG-CB 4.49Å; R154-E156 VanDerWaalsContact C-N 3.28Å; R154-E156 VanDerWaalsContact CB-OE2 3.23Å; R154-E156 WeakPolarHBondContact CB-OE2 3.42Å; R154-E156 IonicContact CZ-OE2 3.34Å; R154-E156 IonicContact NE-OE2 3.59Å; R154-E156 PolarHBondContact NE-OE2 2.81Å; R154-E156 IonicContact NH2-OE2 3.89Å; R154-E156 PolarHBondContact O-N 2.71Å; E156-R162 VanDerWaalsContact O-CD 3.25Å; E156-R162 WeakPolarHBondContact O-CD 3.15Å
157	C	98.3	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-83.4	-12.1	176.9	-54.1	0	0	0	0	113	C123 W148 G151 Y153 R154 K155	C123-C157 HydrophobicContact CB-CB 3.39Å; C123-C157 WeakPolarHBondContact CB-SG 3.36Å; C123-C157 WeakPolarHBondContact SG-CB 3.36Å; C123-C157 CovalentContact SG-SG 2.05Å; C123-C157 PolarHBondContact SG-SG 2.96Å; W148-C157 PolarHBondContact NE1-O 3.28Å; G151-C157 WeakPolarHBondContact O-CB 3.4Å; G151-C157 VanDerWaalsContact O-O 3.11Å; Y153-C157 VanDerWaalsContact CE1-SG 3.53Å; R154-C157 WeakPolarHBondContact O-CB 3.31Å; R154-C157 PolarHBondContact O-N 2.91Å; R154-C157 VanDerWaalsContact O-N 3.11Å; K155-C157 PolarHBondContact O-N 2.85Å; K155-C157 VanDerWaalsContact O-N 3.1Å
158	L	98.7	Very high	98.3	Very high	9 Å²	9	28.6 Å²	28.6	5%	0.047	13%	0.134	C	C	.	.	S	Bend	trans	-70.4	150.7	-177	-62.9	178.9	0	0	0	112	F152 K155 T160 R161 R162 L171 E197 P522	F152-L158 HydrophobicContact CB-CD2 3.98Å; K155-L158 VanDerWaalsContact O-CB 3.27Å; K155-L158 WeakPolarHBondContact O-CB 3.49Å; K155-L158 WeakPolarHBondContact O-CG 3.39Å; K155-L158 PolarHBondContact O-N 3.37Å; L158-T160 PolarHBondContact O-N 3.47Å; L158-T160 VanDerWaalsContact O-N 3.16Å; L158-R161 CarbonylContact O-C 3.53Å; L158-R161 WeakPolarHBondContact O-CA 3.44Å; L158-R161 PolarHBondContact O-N 2.81Å; L158-R162 WeakPolarHBondContact O-CG 3.48Å; L158-R162 PolarHBondContact O-N 2.67Å; L158-R162 VanDerWaalsContact O-N 3.14Å; L158-L171 HydrophobicContact CD2-CD1 3.78Å; L158-L171 HydrophobicContact CD2-CD2 3.93Å; L158-E197 HydrophobicContact CD1-CB 4.28Å; L158-E197 HydrophobicContact CD1-CG 3.89Å; L158-P522 HydrophobicContact CD1-CG 3.98Å; L158-P522 HydrophobicContact CD2-CG 4.04Å; L158-P522 HydrophobicContact CG-CG 4.17Å
159	P	98.8	Very high	98.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-52.9	-39.7	178.7	-24.6	31.8	0	0	0	113.4	M144 W148 R161 R162 G163 F164 F167 L171	M144-P159 HydrophobicContact SD-CB 4.13Å; M144-P159 HydrophobicContact SD-CG 4.32Å; W148-P159 HydrophobicContact CB-CG 4.06Å; W148-P159 HydrophobicContact CD2-CB 4.42Å; W148-P159 HydrophobicContact CD2-CG 3.65Å; W148-P159 HydrophobicContact CE3-CB 4.35Å; W148-P159 HydrophobicContact CE3-CG 3.98Å; W148-P159 HydrophobicContact CG-CG 3.69Å; P159-R161 PolarHBondContact O-N 3.02Å; P159-R162 CarbonylContact O-C 3.58Å; P159-R162 PolarHBondContact O-N 3.33Å; P159-G163 PolarHBondContact O-N 3.04Å; P159-F164 HydrophobicContact CB-CD2 4.01Å; P159-F164 PolarHBondContact O-N 3.06Å; P159-F167 HydrophobicContact CB-CB 4.18Å; P159-F167 HydrophobicContact CB-CD1 4.42Å; P159-F167 HydrophobicContact CB-CD2 3.93Å; P159-F167 HydrophobicContact CB-CE2 4.43Å; P159-F167 HydrophobicContact CB-CG 3.93Å; P159-F167 HydrophobicContact CG-CD1 3.97Å; P159-F167 HydrophobicContact CG-CD2 3.81Å; P159-F167 HydrophobicContact CG-CE1 3.99Å; P159-F167 HydrophobicContact CG-CE2 3.84Å; P159-F167 HydrophobicContact CG-CG 3.88Å; P159-F167 HydrophobicContact CG-CZ 3.93Å; P159-L171 HydrophobicContact CG-CD2 4.35Å
160	T	98.6	Very high	98.3	Very high	35 Å²	35	28.2 Å²	28.2	22%	0.215	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-63	-23.2	177.8	47.2	0	0	0	0	113.8	L158 F164 F167 E197	L158-T160 PolarHBondContact O-N 3.47Å; L158-T160 VanDerWaalsContact O-N 3.16Å; T160-F164 WeakPolarHBondContact CA-O 3.4Å; T160-F167 HydrophobicContact CG2-CB 4.09Å; T160-E197 HydrophobicContact CG2-CG 4.27Å; T160-E197 VanDerWaalsContact OG1-CG 3.31Å; T160-E197 WeakPolarHBondContact OG1-CG 3.32Å; T160-E197 PolarHBondContact OG1-OE1 2.85Å
161	R	98.2	Very high	98.3	Very high	139 Å²	139	28.2 Å²	28.2	53%	0.525	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-101.7	0.1	175.1	-54.3	-56.5	176.3	161.1	-1.4	112.8	K155 L158 P159 E197	K155-R161 WeakPolarHBondContact O-CB 3.42Å; K155-R161 WeakPolarHBondContact O-CG 3.48Å; L158-R161 CarbonylContact O-C 3.53Å; L158-R161 WeakPolarHBondContact O-CA 3.44Å; L158-R161 PolarHBondContact O-N 2.81Å; P159-R161 PolarHBondContact O-N 3.02Å; R161-E197 IonicContact CZ-OE1 3.36Å; R161-E197 IonicContact CZ-OE2 3.84Å; R161-E197 IonicContact NE-OE1 2.68Å; R161-E197 PolarHBondContact NE-OE1 3.41Å; R161-E197 IonicContact NE-OE2 3.81Å; R161-E197 IonicContact NH2-OE1 3.23Å; R161-E197 PolarHBondContact NH2-OE1 2.66Å; R161-E197 IonicContact NH2-OE2 2.97Å; R161-E197 PolarHBondContact NH2-OE2 2.92Å
162	R	98.4	Very high	98.3	Very high	6 Å²	6	28.2 Å²	28.2	2%	0.023	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	28.7	179.2	-61.5	-58	-68	-111	9.9	112.5	L124 P125 Q128 T130 P132 W148 E156 L158 P159	L124-R162 PolarHBondContact O-NH1 3.08Å; P125-R162 PolarHBondContact O-NH1 3.3Å; P125-R162 PolarHBondContact O-NH2 2.76Å; Q128-R162 PolarHBondContact O-NH2 3.34Å; T130-R162 HydrophobicContact CG2-CB 4.31Å; T130-R162 PolarHBondContact OG1-O 3.41Å; P132-R162 VanDerWaalsContact CG-O 3.28Å; P132-R162 WeakPolarHBondContact CG-O 3.48Å; W148-R162 HydrophobicContact CH2-CB 4Å; W148-R162 HydrophobicContact CH2-CG 4.41Å; W148-R162 HydrophobicContact CZ2-CB 4.15Å; W148-R162 HydrophobicContact CZ2-CG 4.07Å; E156-R162 VanDerWaalsContact O-CD 3.25Å; E156-R162 WeakPolarHBondContact O-CD 3.15Å; L158-R162 WeakPolarHBondContact O-CG 3.48Å; L158-R162 PolarHBondContact O-N 2.67Å; L158-R162 VanDerWaalsContact O-N 3.14Å; P159-R162 CarbonylContact O-C 3.58Å; P159-R162 PolarHBondContact O-N 3.33Å
163	G	98.2	Very high	98.2	Very high	6 Å²	6	28.2 Å²	28.2	6%	0.062	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.1	2.9	167.4	0	0	0	0	0	116	P132 Q136 T142 P159	P132-G163 WeakPolarHBondContact CB-O 3.19Å; Q136-G163 PolarHBondContact NE2-O 2.77Å; Q136-G163 VanDerWaalsContact NE2-O 3.16Å; Q136-G163 PolarHBondContact OE1-O 3.21Å; T142-G163 WeakPolarHBondContact CB-O 3.11Å; T142-G163 PolarHBondContact OG1-O 2.97Å; P159-G163 PolarHBondContact O-N 3.04Å
164	F	98.9	Very high	98.1	Very high	3 Å²	3	29 Å²	29	1%	0.013	14%	0.141	C	C	.	.			trans	-93	122.3	173.5	-69.1	-73.1	0	0	0	111.2	L101 P132 T142 M144 W148 P159 T160 T166 F230 Y232	L101-F164 HydrophobicContact CD1-CE2 4.49Å; P132-F164 HydrophobicContact CB-CD1 4.02Å; P132-F164 HydrophobicContact CB-CD2 4.45Å; P132-F164 HydrophobicContact CB-CE1 3.85Å; P132-F164 HydrophobicContact CB-CE2 4.3Å; P132-F164 HydrophobicContact CB-CG 4.33Å; P132-F164 HydrophobicContact CB-CZ 4Å; P132-F164 HydrophobicContact CG-CD1 4.46Å; P132-F164 HydrophobicContact CG-CD2 4.08Å; P132-F164 HydrophobicContact CG-CE1 4.14Å; P132-F164 HydrophobicContact CG-CE2 3.73Å; P132-F164 HydrophobicContact CG-CG 4.44Å; P132-F164 HydrophobicContact CG-CZ 3.76Å; T142-F164 WeakPolarHBondContact OG1-CA 3.27Å; M144-F164 HydrophobicContact CB-CB 4.32Å; M144-F164 HydrophobicContact CB-CD1 3.6Å; M144-F164 HydrophobicContact CB-CD2 3.92Å; M144-F164 HydrophobicContact CB-CE1 3.75Å; M144-F164 HydrophobicContact CB-CE2 4.05Å; M144-F164 HydrophobicContact CB-CG 3.68Å; M144-F164 HydrophobicContact CB-CZ 3.98Å; M144-F164 HydrophobicContact CG-CE2 4.43Å; M144-F164 HydrophobicContact CG-CZ 4.44Å; M144-F164 HydrophobicContact SD-CD2 4.07Å; M144-F164 HydrophobicContact SD-CE2 3.75Å; M144-F164 HydrophobicContact SD-CZ 4.2Å; W148-F164 HydrophobicContact CZ3-CE2 4.05Å; P159-F164 HydrophobicContact CB-CD2 4.01Å; P159-F164 PolarHBondContact O-N 3.06Å; T160-F164 WeakPolarHBondContact CA-O 3.4Å; F164-T166 VanDerWaalsContact C-N 3.28Å; F164-T166 PolarHBondContact O-N 2.81Å; F164-F230 AromaticContact CE1-CD1 3.95Å; F164-F230 HydrophobicContact CE1-CD1 3.95Å; F164-F230 AromaticContact CE1-CE1 3.58Å; F164-F230 HydrophobicContact CE1-CE1 3.58Å; F164-F230 AromaticContact CZ-CE1 3.95Å; F164-F230 HydrophobicContact CZ-CE1 3.95Å; F164-Y232 HydrophobicContact CE1-CD1 4.36Å; F164-Y232 HydrophobicContact CE2-CD1 4.35Å; F164-Y232 AromaticContact CZ-CD1 3.66Å; F164-Y232 HydrophobicContact CZ-CD1 3.66Å; F164-Y232 HydrophobicContact CZ-CG 4.24Å
165	D	98.8	Very high	98.2	Very high	76 Å²	76	28.2 Å²	28.2	41%	0.406	14%	0.138	S	C	.	.	S	Bend	trans	-62.9	-36.4	175.8	-58.2	-43.8	0	0	0	111.7	Q136 S141 T142	Q136-D165 PolarHBondContact NE2-OD1 3.23Å; S141-D165 WeakPolarHBondContact CA-OD2 3.48Å; T142-D165 PolarHBondContact N-OD2 3.33Å; T142-D165 WeakPolarHBondContact O-CA 3.41Å; T142-D165 WeakPolarHBondContact O-CB 3.25Å; T142-D165 PolarHBondContact O-N 3.34Å; T142-D165 VanDerWaalsContact OG1-CG 3.3Å; T142-D165 PolarHBondContact OG1-N 2.78Å; T142-D165 PolarHBondContact OG1-OD2 3.28Å
166	T	98.9	Very high	98.2	Very high	59 Å²	59	24.1 Å²	24.1	36%	0.362	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.6	176.6	75	0	0	0	0	111.9	T142 H143 M144 F164	T142-T166 PolarHBondContact O-N 2.96Å; H143-T166 PolarHBondContact ND1-OG1 3.15Å; M144-T166 PolarHBondContact N-O 2.71Å; F164-T166 VanDerWaalsContact C-N 3.28Å; F164-T166 PolarHBondContact O-N 2.81Å
167	F	98.9	Very high	98.3	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.7	176.1	175.4	-121.4	0	0	0	111.1	M144 G146 W148 P159 T160 G169 L171 H194 G196	M144-F167 HydrophobicContact CB-CD2 4.04Å; M144-F167 HydrophobicContact CE-CE2 4.01Å; M144-F167 HydrophobicContact CG-CD2 3.84Å; M144-F167 HydrophobicContact CG-CE2 4.1Å; M144-F167 WeakPolarHBondContact O-CA 3.39Å; M144-F167 HydrophobicContact SD-CD2 4.08Å; M144-F167 HydrophobicContact SD-CE2 4.06Å; G146-F167 WeakPolarHBondContact O-CE2 3.49Å; W148-F167 HydrophobicContact CB-CZ 4.48Å; P159-F167 HydrophobicContact CB-CB 4.18Å; P159-F167 HydrophobicContact CB-CD1 4.42Å; P159-F167 HydrophobicContact CB-CD2 3.93Å; P159-F167 HydrophobicContact CB-CE2 4.43Å; P159-F167 HydrophobicContact CB-CG 3.93Å; P159-F167 HydrophobicContact CG-CD1 3.97Å; P159-F167 HydrophobicContact CG-CD2 3.81Å; P159-F167 HydrophobicContact CG-CE1 3.99Å; P159-F167 HydrophobicContact CG-CE2 3.84Å; P159-F167 HydrophobicContact CG-CG 3.88Å; P159-F167 HydrophobicContact CG-CZ 3.93Å; T160-F167 HydrophobicContact CG2-CB 4.09Å; F167-G169 VanDerWaalsContact CZ-C 3.43Å; F167-L171 HydrophobicContact CE1-CD2 3.78Å; F167-L171 HydrophobicContact CZ-CD2 4.09Å; F167-H194 HydrophobicContact CD1-CB 4.35Å; F167-H194 HydrophobicContact CE1-CB 3.97Å; F167-G196 PolarHBondContact O-N 3.18Å
168	L	98.9	Very high	98.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	116.6	160.2	177	76.1	0	0	0	108.9	M144 V145 G146 H194 E195 L203 L211 R215	M144-L168 PolarHBondContact O-N 2.98Å; M144-L168 VanDerWaalsContact O-N 3.1Å; V145-L168 CarbonylContact C-O 3.44Å; V145-L168 VanDerWaalsContact CA-O 3.25Å; V145-L168 WeakPolarHBondContact CA-O 3.38Å; V145-L168 HydrophobicContact CG1-CB 4.49Å; G146-L168 PolarHBondContact N-O 3.35Å; L168-H194 CarbonylContact C-O 3.57Å; L168-H194 VanDerWaalsContact CA-O 3.25Å; L168-H194 WeakPolarHBondContact CA-O 3.42Å; L168-E195 HydrophobicContact CD1-CB 3.92Å; L168-E195 HydrophobicContact CD1-CG 4.38Å; L168-L203 HydrophobicContact CD1-CD1 3.68Å; L168-L211 HydrophobicContact CD2-CD1 4.29Å; L168-L211 HydrophobicContact CD2-CD2 4.43Å; L168-L211 HydrophobicContact CD2-CG 4.16Å; L168-R215 HydrophobicContact CB-CG 4.02Å; L168-R215 HydrophobicContact CD2-CB 3.6Å; L168-R215 HydrophobicContact CD2-CG 3.61Å; L168-R215 HydrophobicContact CG-CG 4.46Å
169	G	98.7	Very high	98.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-167.9	178.4	0	0	0	0	0	114.9	G146 F167 H194	G146-G169 WeakPolarHBondContact O-CA 3.16Å; F167-G169 VanDerWaalsContact CZ-C 3.43Å; G169-H194 PolarHBondContact N-O 2.65Å; G169-H194 PolarHBondContact O-N 3.49Å
170	S	98.8	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.			trans	-97.4	146.1	179.7	53.6	0	0	0	0	111.6	G146 W148 D192	G146-S170 PolarHBondContact O-N 3.18Å; W148-S170 WeakPolarHBondContact CB-O 3.09Å; W148-S170 PolarHBondContact N-O 2.77Å; S170-D192 VanDerWaalsContact CB-O 3.32Å; S170-D192 WeakPolarHBondContact CB-O 3.34Å; S170-D192 WeakPolarHBondContact CB-OD2 3.32Å
171	L	98.8	Very high	98.2	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	-90.2	-33	179.4	-61.7	177	0	0	0	112.3	W148 H149 F152 L158 P159 F167 D192 H194	W148-L171 HydrophobicContact CB-CD2 4.34Å; H149-L171 WeakPolarHBondContact CA-O 3.25Å; H149-L171 PolarHBondContact N-O 2.88Å; H149-L171 VanDerWaalsContact N-O 3.08Å; F152-L171 HydrophobicContact CB-CB 4.05Å; F152-L171 HydrophobicContact CB-CD1 3.91Å; F152-L171 HydrophobicContact CB-CD2 4.48Å; F152-L171 HydrophobicContact CB-CG 4.38Å; F152-L171 HydrophobicContact CD1-CB 3.7Å; F152-L171 HydrophobicContact CD2-CB 4.44Å; F152-L171 HydrophobicContact CD2-CD1 4.32Å; F152-L171 HydrophobicContact CE1-CB 4.25Å; F152-L171 HydrophobicContact CG-CB 3.82Å; F152-L171 HydrophobicContact CG-CD1 4.14Å; L158-L171 HydrophobicContact CD2-CD1 3.78Å; L158-L171 HydrophobicContact CD2-CD2 3.93Å; P159-L171 HydrophobicContact CG-CD2 4.35Å; F167-L171 HydrophobicContact CE1-CD2 3.78Å; F167-L171 HydrophobicContact CZ-CD2 4.09Å; L171-D192 PolarHBondContact N-OD1 2.83Å; L171-D192 PolarHBondContact N-OD2 3.08Å; L171-D192 VanDerWaalsContact N-OD2 3.13Å; L171-H194 WeakPolarHBondContact CD1-NE2 3.23Å
172	T	98.1	Very high	98.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.119	C	C	.	.	S	Bend	trans	-79.8	-175.6	-178.1	70.8	0	0	0	0	112.9	P118 F152 N174 D192 W520	P118-T172 HydrophobicContact CB-CG2 4.09Å; P118-T172 HydrophobicContact CG-CG2 3.94Å; F152-T172 HydrophobicContact CE1-CG2 3.83Å; F152-T172 HydrophobicContact CZ-CG2 3.75Å; T172-N174 PolarHBondContact OG1-O 2.67Å; T172-D192 WeakPolarHBondContact CA-OD2 3.45Å; T172-D192 WeakPolarHBondContact CB-OD2 3.19Å; T172-D192 HydrophobicContact CG2-CB 4.4Å; T172-D192 WeakPolarHBondContact CG2-OD2 3.47Å; T172-D192 PolarHBondContact N-OD2 2.82Å; T172-D192 PolarHBondContact OG1-OD2 3.28Å; T172-W520 HydrophobicContact CG2-CB 4.07Å; T172-W520 HydrophobicContact CG2-CD2 4.25Å; T172-W520 HydrophobicContact CG2-CG 3.86Å
173	G	95.5	Very high	98	Very high	7 Å²	7	25 Å²	25	7%	0.072	14%	0.141	C	C	.	.	S	Bend	trans	-79.8	-19.3	-176.8	0	0	0	0	0	115.6	K147 H149	K147-G173 WeakPolarHBondContact CE-O 3.25Å; K147-G173 PolarHBondContact NZ-O 3.38Å; H149-G173 VanDerWaalsContact CD2-CA 3.48Å; H149-G173 WeakPolarHBondContact CD2-CA 3.13Å; H149-G173 VanDerWaalsContact CE1-CA 3.41Å; H149-G173 WeakPolarHBondContact CE1-CA 2.96Å; H149-G173 WeakPolarHBondContact NE2-CA 3.34Å
174	N	95.9	Very high	97.7	Very high	56 Å²	56	25.6 Å²	25.6	30%	0.299	14%	0.142	S	C	.	.			trans	-168.8	157.5	179.9	66.1	-78.5	0	0	0	109.1	T172 N182	T172-N174 PolarHBondContact OG1-O 2.67Å; N174-N182 WeakPolarHBondContact O-CB 3.44Å; N174-N182 PolarHBondContact O-ND2 2.88Å; N174-N182 PolarHBondContact OD1-ND2 2.76Å
175	V	97.9	Very high	97.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.16	C	C	.	.			trans	-142.5	168.4	174.8	-65.8	0	0	0	0	109.9	Y180 D181 N182 D192 Q236 P241	V175-Y180 HydrophobicContact CG2-CD1 4.19Å; V175-D181 CarbonylContact C-O 3.42Å; V175-D181 WeakPolarHBondContact CA-O 3.13Å; V175-N182 HydrophobicContact CG1-CB 4.19Å; V175-D192 HydrophobicContact CG1-CB 3.77Å; V175-Q236 PolarHBondContact O-NE2 2.85Å; V175-P241 WeakPolarHBondContact O-CD 3.35Å
176	D	98.4	Very high	96.5	Very high	35 Å²	35	30.1 Å²	30.1	19%	0.187	18%	0.183	C	C	.	.			trans	-61	138.1	160.9	-173.1	-78.4	0	0	0	109.9	Y178 T179 Y180 D181 Q243	D176-Y178 PolarHBondContact O-N 2.64Å; D176-Y178 PolarHBondContact OD1-N 3.31Å; D176-T179 WeakPolarHBondContact CB-OG1 3.39Å; D176-T179 PolarHBondContact OD1-N 3.31Å; D176-Y180 WeakPolarHBondContact O-CA 3.22Å; D176-Y180 PolarHBondContact O-N 3.4Å; D176-Y180 VanDerWaalsContact O-N 3.14Å; D176-D181 PolarHBondContact N-O 3.38Å; D176-Q243 PolarHBondContact OD2-NE2 2.9Å; D176-Q243 PolarHBondContact OD2-OE1 2.88Å
177	Y	98.6	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.8	-175.4	-84.9	-96	0	0	0	114.3	Y207 S208 Q236 A237 H239 P241 Q243 M266	Y177-Y207 HydrophobicContact CD1-CD2 4.06Å; Y177-Y207 HydrophobicContact CD1-CE1 4.33Å; Y177-Y207 AromaticContact CD1-CE2 3.32Å; Y177-Y207 HydrophobicContact CD1-CE2 3.32Å; Y177-Y207 AromaticContact CD1-CZ 3.47Å; Y177-Y207 VanDerWaalsContact CD1-CZ 3.47Å; Y177-Y207 HydrophobicContact CE1-CE2 4.3Å; Y177-Y207 HydrophobicContact CG-CD2 4.24Å; Y177-Y207 AromaticContact CG-CE2 3.55Å; Y177-Y207 HydrophobicContact CG-CE2 3.55Å; Y177-Y207 CarbonylContact O-C 3.5Å; Y177-Y207 WeakPolarHBondContact O-CA 3.27Å; Y177-S208 WeakPolarHBondContact CD1-OG 3.47Å; Y177-S208 PolarHBondContact O-N 3.46Å; Y177-Q236 HydrophobicContact CE1-CB 4.37Å; Y177-Q236 HydrophobicContact CE1-CG 4.21Å; Y177-Q236 HydrophobicContact CE2-CG 4.41Å; Y177-Q236 PolarHBondContact OH-O 2.8Å; Y177-A237 WeakPolarHBondContact OH-CA 3.29Å; Y177-A237 PolarHBondContact OH-N 2.8Å; Y177-H239 WeakPolarHBondContact CE2-O 3.49Å; Y177-H239 PolarHBondContact OH-N 2.99Å; Y177-H239 PolarHBondContact OH-O 3.38Å; Y177-P241 HydrophobicContact CD2-CG 4.3Å; Y177-P241 WeakPolarHBondContact CD2-O 3.47Å; Y177-P241 WeakPolarHBondContact CE2-O 3.48Å; Y177-Q243 HydrophobicContact CD2-CB 3.95Å; Y177-Q243 HydrophobicContact CG-CB 4.26Å; Y177-M266 HydrophobicContact CD2-CE 4.25Å; Y177-M266 HydrophobicContact CE1-CE 3.98Å; Y177-M266 HydrophobicContact CE2-CE 3.34Å; Y177-M266 WeakPolarHBondContact OH-CE 3.2Å
178	Y	98.4	Very high	95.7	Very high	68 Å²	68	31.3 Å²	31.3	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-46.3	-178.3	-65	-89.2	0	0	0	112.1	D176 Y180 G205 Y207 Q243 P245	D176-Y178 PolarHBondContact O-N 2.64Å; D176-Y178 PolarHBondContact OD1-N 3.31Å; Y178-Y180 VanDerWaalsContact O-CD2 3.3Å; Y178-Y180 WeakPolarHBondContact O-CD2 3.16Å; Y178-Y180 WeakPolarHBondContact O-CE2 3.42Å; Y178-G205 PolarHBondContact O-N 2.8Å; Y178-Y207 HydrophobicContact CD1-CD2 4.38Å; Y178-Y207 HydrophobicContact CD2-CD2 4.18Å; Y178-Y207 AromaticContact CE1-CD2 3.83Å; Y178-Y207 HydrophobicContact CE1-CD2 3.83Å; Y178-Y207 HydrophobicContact CE1-CG 4.21Å; Y178-Y207 AromaticContact CE2-CD2 3.59Å; Y178-Y207 HydrophobicContact CE2-CD2 3.59Å; Y178-Y207 HydrophobicContact CE2-CE2 4.05Å; Y178-Y207 AromaticContact CZ-CD2 3.39Å; Y178-Q243 HydrophobicContact CE2-CB 4.42Å; Y178-P245 WeakPolarHBondContact OH-CA 3.47Å
179	T	98.1	Very high	95.6	Very high	49 Å²	49	33.9 Å²	33.9	30%	0.301	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-19.3	-177.1	73.8	0	0	0	0	112.6	D176 D181 F191	D176-T179 WeakPolarHBondContact CB-OG1 3.39Å; D176-T179 PolarHBondContact OD1-N 3.31Å; T179-D181 VanDerWaalsContact CB-OD2 3.3Å; T179-D181 WeakPolarHBondContact CB-OD2 3.4Å; T179-D181 PolarHBondContact O-N 2.92Å; T179-D181 VanDerWaalsContact OG1-CG 3.3Å; T179-D181 PolarHBondContact OG1-N 2.88Å; T179-D181 PolarHBondContact OG1-OD2 3.17Å; T179-F191 WeakPolarHBondContact O-CD2 3.4Å; T179-F191 WeakPolarHBondContact O-CE2 3.48Å
180	Y	98.4	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.224	C	C	.	.			trans	63.2	18.4	-174.5	-49.8	-82.6	0	0	0	114.6	V175 D176 Y178 F191 D192 L193 L203 Q206 L211	V175-Y180 HydrophobicContact CG2-CD1 4.19Å; D176-Y180 WeakPolarHBondContact O-CA 3.22Å; D176-Y180 PolarHBondContact O-N 3.4Å; D176-Y180 VanDerWaalsContact O-N 3.14Å; Y178-Y180 VanDerWaalsContact O-CD2 3.3Å; Y178-Y180 WeakPolarHBondContact O-CD2 3.16Å; Y178-Y180 WeakPolarHBondContact O-CE2 3.42Å; Y180-F191 HydrophobicContact CD2-CE2 4.06Å; Y180-F191 HydrophobicContact CD2-CZ 4.24Å; Y180-F191 HydrophobicContact CG-CE2 4.36Å; Y180-F191 HydrophobicContact CG-CZ 4.49Å; Y180-D192 PolarHBondContact O-N 3.34Å; Y180-L193 HydrophobicContact CD1-CB 4.04Å; Y180-L193 HydrophobicContact CD1-CD1 3.85Å; Y180-L193 HydrophobicContact CD1-CD2 3.99Å; Y180-L193 HydrophobicContact CD1-CG 4.18Å; Y180-L193 HydrophobicContact CD2-CB 4.37Å; Y180-L193 HydrophobicContact CD2-CD2 3.82Å; Y180-L193 HydrophobicContact CE1-CD1 3.89Å; Y180-L193 HydrophobicContact CE1-CD2 3.9Å; Y180-L193 HydrophobicContact CE1-CG 4.39Å; Y180-L193 HydrophobicContact CE2-CD2 3.78Å; Y180-L193 HydrophobicContact CG-CB 3.83Å; Y180-L193 HydrophobicContact CG-CD1 4.46Å; Y180-L193 HydrophobicContact CG-CD2 3.94Å; Y180-L193 HydrophobicContact CG-CG 4.3Å; Y180-L203 WeakPolarHBondContact CE2-O 3.3Å; Y180-Q206 PolarHBondContact OH-O 3.4Å; Y180-L211 HydrophobicContact CE1-CD2 4.31Å; Y180-L211 WeakPolarHBondContact OH-CD2 3.32Å
181	D	97.5	Very high	95.5	Very high	77 Å²	77	34.5 Å²	34.5	41%	0.412	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	137.9	174.7	-63	-45.8	0	0	0	111.2	V175 D176 T179	V175-D181 CarbonylContact C-O 3.42Å; V175-D181 WeakPolarHBondContact CA-O 3.13Å; D176-D181 PolarHBondContact N-O 3.38Å; T179-D181 VanDerWaalsContact CB-OD2 3.3Å; T179-D181 WeakPolarHBondContact CB-OD2 3.4Å; T179-D181 PolarHBondContact O-N 2.92Å; T179-D181 VanDerWaalsContact OG1-CG 3.3Å; T179-D181 PolarHBondContact OG1-N 2.88Å; T179-D181 PolarHBondContact OG1-OD2 3.17Å
182	N	96.9	Very high	95.5	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.027	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.6	168.7	174.2	-92.2	0	0	0	110	N174 V175 C189 G190 W520	N174-N182 WeakPolarHBondContact O-CB 3.44Å; N174-N182 PolarHBondContact O-ND2 2.88Å; N174-N182 PolarHBondContact OD1-ND2 2.76Å; V175-N182 HydrophobicContact CG1-CB 4.19Å; N182-C189 CarbonylContact O-C 3.45Å; N182-C189 VanDerWaalsContact O-CA 3.27Å; N182-C189 WeakPolarHBondContact O-CA 3.28Å; N182-G190 PolarHBondContact N-O 2.94Å; N182-G190 PolarHBondContact O-N 3.3Å; N182-W520 PolarHBondContact O-NE1 3.46Å
183	C	95.1	Very high	95.6	Very high	72 Å²	72	34.3 Å²	34.3	49%	0.486	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.6	172.3	-58.2	0	0	0	0	111.2	V188 C189	C183-V188 CarbonylContact C-O 3.59Å; C183-V188 VanDerWaalsContact CA-O 3.22Å; C183-V188 WeakPolarHBondContact CA-O 3.47Å; C183-C189 HydrophobicContact CB-CB 4.08Å; C183-C189 WeakPolarHBondContact CB-SG 3.25Å; C183-C189 WeakPolarHBondContact SG-CB 3.48Å; C183-C189 CovalentContact SG-SG 2.04Å; C183-C189 PolarHBondContact SG-SG 3.5Å
184	D	92.3	Very high	95.7	Very high	18 Å²	18	34.3 Å²	34.3	10%	0.096	22%	0.223	C	C	.	.	S	Bend	trans	-105.2	59	174.5	-171.5	48.4	0	0	0	110.6	P118 R119 V188 W520	P118-D184 HydrophobicContact CB-CB 4.21Å; P118-D184 HydrophobicContact CG-CB 4.03Å; R119-D184 IonicContact CZ-OD2 3.13Å; R119-D184 VanDerWaalsContact CZ-OD2 3.31Å; R119-D184 IonicContact NE-OD2 3.56Å; R119-D184 PolarHBondContact NE-OD2 2.93Å; R119-D184 PolarHBondContact NH2-O 3.29Å; R119-D184 IonicContact NH2-OD2 2.61Å; R119-D184 PolarHBondContact NH2-OD2 3.36Å; D184-V188 PolarHBondContact N-O 2.74Å; D184-W520 HydrophobicContact CB-CH2 3.99Å; D184-W520 HydrophobicContact CB-CZ2 4.03Å
185	G	87.8	Confident	95.8	Very high	38 Å²	38	35.8 Å²	35.8	39%	0.392	23%	0.228	S	C	.	.	S	Bend	trans	105	174.5	-175.7	0	0	0	0	0	113.8	G187 V188	G185-G187 PolarHBondContact O-N 2.85Å; G185-V188 PolarHBondContact O-N 2.88Å
186	P	85.4	Confident	95.9	Very high	136 Å²	136	36.9 Å²	36.9	88%	0.883	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	125.3	-178.5	-22	33.7	0	0	0	111.9	V188	P186-V188 VanDerWaalsContact C-N 3.26Å; P186-V188 PolarHBondContact O-N 2.84Å
187	G	85.9	Confident	95.8	Very high	69 Å²	69	38.1 Å²	38.1	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	-1.7	174.9	0	0	0	0	0	115.7	G185	G185-G187 PolarHBondContact O-N 2.85Å
188	V	94.6	Very high	95.8	Very high	23 Å²	23	44 Å²	44	14%	0.139	28%	0.276	C	S	.	.			trans	-111	84.6	177.1	-174.1	0	0	0	0	108.5	C183 D184 G185 P186 W520	C183-V188 CarbonylContact C-O 3.59Å; C183-V188 VanDerWaalsContact CA-O 3.22Å; C183-V188 WeakPolarHBondContact CA-O 3.47Å; D184-V188 PolarHBondContact N-O 2.74Å; G185-V188 PolarHBondContact O-N 2.88Å; P186-V188 VanDerWaalsContact C-N 3.26Å; P186-V188 PolarHBondContact O-N 2.84Å; V188-W520 HydrophobicContact CG1-CH2 3.72Å; V188-W520 HydrophobicContact CG1-CZ2 4.09Å
189	C	96.4	Very high	95.8	Very high	54 Å²	54	42.9 Å²	42.9	37%	0.365	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148	-178.2	-56.9	0	0	0	0	110.7	N182 C183	N182-C189 CarbonylContact O-C 3.45Å; N182-C189 VanDerWaalsContact O-CA 3.27Å; N182-C189 WeakPolarHBondContact O-CA 3.28Å; C183-C189 HydrophobicContact CB-CB 4.08Å; C183-C189 WeakPolarHBondContact CB-SG 3.25Å; C183-C189 WeakPolarHBondContact SG-CB 3.48Å; C183-C189 CovalentContact SG-SG 2.04Å; C183-C189 PolarHBondContact SG-SG 3.5Å
190	G	97.6	Very high	95.8	Very high	5 Å²	5	41.1 Å²	41.1	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	157.7	176.1	0	0	0	0	0	111.7	N182 G518 W520	N182-G190 PolarHBondContact N-O 2.94Å; N182-G190 PolarHBondContact O-N 3.3Å; G190-G518 CarbonylContact C-O 3.56Å; G190-G518 VanDerWaalsContact CA-O 3.24Å; G190-G518 WeakPolarHBondContact CA-O 3.46Å; G190-W520 VanDerWaalsContact O-CD1 3.27Å; G190-W520 PolarHBondContact O-NE1 3.42Å
191	F	98.6	Very high	95.8	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.035	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.9	174.2	-176.2	-90.9	0	0	0	110.6	T179 Y180 L193 V199 W201 G518 A519 W520	T179-F191 WeakPolarHBondContact O-CD2 3.4Å; T179-F191 WeakPolarHBondContact O-CE2 3.48Å; Y180-F191 HydrophobicContact CD2-CE2 4.06Å; Y180-F191 HydrophobicContact CD2-CZ 4.24Å; Y180-F191 HydrophobicContact CG-CE2 4.36Å; Y180-F191 HydrophobicContact CG-CZ 4.49Å; F191-L193 HydrophobicContact CE1-CB 3.64Å; F191-L193 WeakPolarHBondContact CE1-O 3.4Å; F191-L193 HydrophobicContact CZ-CB 3.74Å; F191-L193 HydrophobicContact CZ-CD2 4.47Å; F191-V199 HydrophobicContact CD1-CG1 3.39Å; F191-V199 HydrophobicContact CE1-CG1 3.6Å; F191-W201 HydrophobicContact CB-CE3 4.05Å; F191-W201 HydrophobicContact CB-CH2 3.62Å; F191-W201 HydrophobicContact CB-CZ3 3.26Å; F191-W201 HydrophobicContact CD1-CD2 4.23Å; F191-W201 AromaticContact CD1-CE3 3.8Å; F191-W201 HydrophobicContact CD1-CE3 3.8Å; F191-W201 HydrophobicContact CD1-CH2 4.31Å; F191-W201 AromaticContact CD1-CZ3 3.86Å; F191-W201 HydrophobicContact CD1-CZ3 3.86Å; F191-W201 AromaticContact CD2-CE3 3.91Å; F191-W201 HydrophobicContact CD2-CE3 3.91Å; F191-W201 AromaticContact CD2-CZ3 3.91Å; F191-W201 HydrophobicContact CD2-CZ3 3.91Å; F191-W201 HydrophobicContact CE1-CD2 4.4Å; F191-W201 HydrophobicContact CE1-CE3 4.16Å; F191-W201 HydrophobicContact CE2-CE3 4.26Å; F191-W201 AromaticContact CG-CE3 3.65Å; F191-W201 HydrophobicContact CG-CE3 3.65Å; F191-W201 HydrophobicContact CG-CH2 4.09Å; F191-W201 AromaticContact CG-CZ3 3.42Å; F191-W201 HydrophobicContact CG-CZ3 3.42Å; F191-W201 VanDerWaalsContact CG-CZ3 3.42Å; F191-W201 HydrophobicContact CZ-CE3 4.38Å; F191-G518 PolarHBondContact N-O 3.42Å; F191-A519 HydrophobicContact CB-CB 4.49Å; F191-A519 CarbonylContact O-C 3.42Å; F191-A519 WeakPolarHBondContact O-CA 3.44Å; F191-A519 WeakPolarHBondContact O-CB 3.42Å; F191-W520 PolarHBondContact O-N 2.78Å
192	D	98.6	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	31%	0.308	C	S	.	.			trans	-140.7	76.7	-179.5	178.6	26.3	0	0	0	111.6	S170 L171 T172 V175 Y180 H194 W520	S170-D192 VanDerWaalsContact CB-O 3.32Å; S170-D192 WeakPolarHBondContact CB-O 3.34Å; S170-D192 WeakPolarHBondContact CB-OD2 3.32Å; L171-D192 PolarHBondContact N-OD1 2.83Å; L171-D192 PolarHBondContact N-OD2 3.08Å; L171-D192 VanDerWaalsContact N-OD2 3.13Å; T172-D192 WeakPolarHBondContact CA-OD2 3.45Å; T172-D192 WeakPolarHBondContact CB-OD2 3.19Å; T172-D192 HydrophobicContact CG2-CB 4.4Å; T172-D192 WeakPolarHBondContact CG2-OD2 3.47Å; T172-D192 PolarHBondContact N-OD2 2.82Å; T172-D192 PolarHBondContact OG1-OD2 3.28Å; V175-D192 HydrophobicContact CG1-CB 3.77Å; Y180-D192 PolarHBondContact O-N 3.34Å; D192-H194 IonicContact OD1-CD2 3.26Å; D192-H194 PolarHBondContact OD1-CD2 3.09Å; D192-H194 IonicContact OD1-NE2 3.16Å; D192-H194 PolarHBondContact OD1-NE2 3.25Å; D192-W520 HydrophobicContact CB-CB 4.21Å; D192-W520 HydrophobicContact CB-CG 4.42Å
193	L	98.8	Very high	95.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	31%	0.314	C	S	.	.			trans	-143	131.1	164.6	-173.7	73.4	0	0	0	108.9	Y180 F191 A200 L203 L211 Y212	Y180-L193 HydrophobicContact CD1-CB 4.04Å; Y180-L193 HydrophobicContact CD1-CD1 3.85Å; Y180-L193 HydrophobicContact CD1-CD2 3.99Å; Y180-L193 HydrophobicContact CD1-CG 4.18Å; Y180-L193 HydrophobicContact CD2-CB 4.37Å; Y180-L193 HydrophobicContact CD2-CD2 3.82Å; Y180-L193 HydrophobicContact CE1-CD1 3.89Å; Y180-L193 HydrophobicContact CE1-CD2 3.9Å; Y180-L193 HydrophobicContact CE1-CG 4.39Å; Y180-L193 HydrophobicContact CE2-CD2 3.78Å; Y180-L193 HydrophobicContact CG-CB 3.83Å; Y180-L193 HydrophobicContact CG-CD1 4.46Å; Y180-L193 HydrophobicContact CG-CD2 3.94Å; Y180-L193 HydrophobicContact CG-CG 4.3Å; F191-L193 HydrophobicContact CE1-CB 3.64Å; F191-L193 WeakPolarHBondContact CE1-O 3.4Å; F191-L193 HydrophobicContact CZ-CB 3.74Å; F191-L193 HydrophobicContact CZ-CD2 4.47Å; L193-A200 HydrophobicContact CD2-CB 4.2Å; L193-A200 HydrophobicContact CG-CB 4.16Å; L193-A200 PolarHBondContact O-N 2.9Å; L193-L203 HydrophobicContact CD2-CB 3.67Å; L193-L203 HydrophobicContact CD2-CD1 3.97Å; L193-L203 HydrophobicContact CD2-CG 4.42Å; L193-L211 HydrophobicContact CD1-CD2 4.5Å; L193-L211 HydrophobicContact CD2-CD2 4Å; L193-Y212 HydrophobicContact CD1-CE1 4.16Å
194	H	98.8	Very high	95.9	Very high	7 Å²	7	48 Å²	48	3%	0.032	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.2	-174.5	-61.4	-100	0	0	0	111.3	F167 L168 G169 L171 D192 N198 W520	F167-H194 HydrophobicContact CD1-CB 4.35Å; F167-H194 HydrophobicContact CE1-CB 3.97Å; L168-H194 CarbonylContact C-O 3.57Å; L168-H194 VanDerWaalsContact CA-O 3.25Å; L168-H194 WeakPolarHBondContact CA-O 3.42Å; G169-H194 PolarHBondContact N-O 2.65Å; G169-H194 PolarHBondContact O-N 3.49Å; L171-H194 WeakPolarHBondContact CD1-NE2 3.23Å; D192-H194 IonicContact OD1-CD2 3.26Å; D192-H194 PolarHBondContact OD1-CD2 3.09Å; D192-H194 IonicContact OD1-NE2 3.16Å; D192-H194 PolarHBondContact OD1-NE2 3.25Å; H194-N198 CarbonylContact C-O 3.58Å; H194-N198 WeakPolarHBondContact CA-O 3.39Å; H194-N198 WeakPolarHBondContact CB-O 3.45Å; H194-W520 PolarHBondContact CE1-O 2.67Å; H194-W520 PolarHBondContact NE2-O 3.5Å; H194-W520 VanDerWaalsContact NE2-O 3.1Å
195	E	98.6	Very high	96.1	Very high	86 Å²	86	49.6 Å²	49.6	40%	0.402	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.3	166.2	-178.6	166.4	-156.6	0	0	108.5	L168 E197 N198 A200 R215	L168-E195 HydrophobicContact CD1-CB 3.92Å; L168-E195 HydrophobicContact CD1-CG 4.38Å; E195-E197 PolarHBondContact O-N 2.81Å; E195-N198 PolarHBondContact N-O 3.05Å; E195-N198 PolarHBondContact O-N 3.46Å; E195-N198 VanDerWaalsContact O-N 3.15Å; E195-A200 HydrophobicContact CB-CB 4.22Å; E195-R215 VanDerWaalsContact CD-NH2 3.32Å; E195-R215 IonicContact OE1-CZ 2.71Å; E195-R215 IonicContact OE1-NH1 2.69Å; E195-R215 PolarHBondContact OE1-NH1 2.92Å; E195-R215 IonicContact OE1-NH2 3.78Å; E195-R215 PolarHBondContact OE1-NH2 3.1Å; E195-R215 IonicContact OE2-NH2 3.41Å
196	G	98.4	Very high	96.6	Very high	25 Å²	25	51.1 Å²	51.1	26%	0.258	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-121.9	-162.5	0	0	0	0	0	110.3	F167	F167-G196 PolarHBondContact O-N 3.18Å
197	E	98	Very high	97.2	Very high	61 Å²	61	45.3 Å²	45.3	29%	0.285	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	1.9	177.6	-57.6	-172.1	167.4	0	0	112.9	L158 T160 R161 E195	L158-E197 HydrophobicContact CD1-CB 4.28Å; L158-E197 HydrophobicContact CD1-CG 3.89Å; T160-E197 HydrophobicContact CG2-CG 4.27Å; T160-E197 VanDerWaalsContact OG1-CG 3.31Å; T160-E197 WeakPolarHBondContact OG1-CG 3.32Å; T160-E197 PolarHBondContact OG1-OE1 2.85Å; R161-E197 IonicContact CZ-OE1 3.36Å; R161-E197 IonicContact CZ-OE2 3.84Å; R161-E197 IonicContact NE-OE1 2.68Å; R161-E197 PolarHBondContact NE-OE1 3.41Å; R161-E197 IonicContact NE-OE2 3.81Å; R161-E197 IonicContact NH2-OE1 3.23Å; R161-E197 PolarHBondContact NH2-OE1 2.66Å; R161-E197 IonicContact NH2-OE2 2.97Å; R161-E197 PolarHBondContact NH2-OE2 2.92Å; E195-E197 PolarHBondContact O-N 2.81Å
198	N	98.1	Very high	97.8	Very high	124 Å²	124	42 Å²	42	66%	0.663	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	147.5	-177.6	-62.9	-50.1	0	0	0	111.4	H194 E195	H194-N198 CarbonylContact C-O 3.58Å; H194-N198 WeakPolarHBondContact CA-O 3.39Å; H194-N198 WeakPolarHBondContact CB-O 3.45Å; E195-N198 PolarHBondContact N-O 3.05Å; E195-N198 PolarHBondContact O-N 3.46Å; E195-N198 VanDerWaalsContact O-N 3.15Å
199	V	98.4	Very high	98	Very high	44 Å²	44	41 Å²	41	27%	0.267	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	129.4	174.3	-172.1	0	0	0	0	110.3	F191 W201 A519	F191-V199 HydrophobicContact CD1-CG1 3.39Å; F191-V199 HydrophobicContact CE1-CG1 3.6Å; V199-W201 HydrophobicContact CB-CZ2 4.48Å; V199-W201 HydrophobicContact CG1-CD2 3.82Å; V199-W201 HydrophobicContact CG1-CE3 4.5Å; V199-W201 HydrophobicContact CG1-CG 4.14Å; V199-W201 HydrophobicContact CG1-CH2 4.44Å; V199-W201 HydrophobicContact CG1-CZ2 3.75Å; V199-W201 PolarHBondContact O-N 3.17Å; V199-A519 HydrophobicContact CB-CB 4.5Å; V199-A519 HydrophobicContact CG1-CB 3.92Å; V199-A519 HydrophobicContact CG2-CB 3.75Å
200	A	98.2	Very high	98.1	Very high	12 Å²	12	40.2 Å²	40.2	10%	0.099	24%	0.241	C	C	.	.			trans	-100.1	54.5	-171.3	0	0	0	0	0	113.2	L193 E195 G202 L203	L193-A200 HydrophobicContact CD2-CB 4.2Å; L193-A200 HydrophobicContact CG-CB 4.16Å; L193-A200 PolarHBondContact O-N 2.9Å; E195-A200 HydrophobicContact CB-CB 4.22Å; A200-G202 PolarHBondContact O-N 2.89Å; A200-G202 VanDerWaalsContact O-N 3.12Å; A200-L203 HydrophobicContact CB-CD1 3.96Å; A200-L203 HydrophobicContact CB-CG 4.42Å; A200-L203 PolarHBondContact O-N 2.93Å; A200-L203 VanDerWaalsContact O-N 3.17Å
201	W	97.7	Very high	98.2	Very high	130 Å²	130	40.4 Å²	40.4	49%	0.492	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-49.9	-39.1	-178	-58.5	104.5	0	0	0	114.3	F191 V199 L203 S204 A519	F191-W201 HydrophobicContact CB-CE3 4.05Å; F191-W201 HydrophobicContact CB-CH2 3.62Å; F191-W201 HydrophobicContact CB-CZ3 3.26Å; F191-W201 HydrophobicContact CD1-CD2 4.23Å; F191-W201 AromaticContact CD1-CE3 3.8Å; F191-W201 HydrophobicContact CD1-CE3 3.8Å; F191-W201 HydrophobicContact CD1-CH2 4.31Å; F191-W201 AromaticContact CD1-CZ3 3.86Å; F191-W201 HydrophobicContact CD1-CZ3 3.86Å; F191-W201 AromaticContact CD2-CE3 3.91Å; F191-W201 HydrophobicContact CD2-CE3 3.91Å; F191-W201 AromaticContact CD2-CZ3 3.91Å; F191-W201 HydrophobicContact CD2-CZ3 3.91Å; F191-W201 HydrophobicContact CE1-CD2 4.4Å; F191-W201 HydrophobicContact CE1-CE3 4.16Å; F191-W201 HydrophobicContact CE2-CE3 4.26Å; F191-W201 AromaticContact CG-CE3 3.65Å; F191-W201 HydrophobicContact CG-CE3 3.65Å; F191-W201 HydrophobicContact CG-CH2 4.09Å; F191-W201 AromaticContact CG-CZ3 3.42Å; F191-W201 HydrophobicContact CG-CZ3 3.42Å; F191-W201 VanDerWaalsContact CG-CZ3 3.42Å; F191-W201 HydrophobicContact CZ-CE3 4.38Å; V199-W201 HydrophobicContact CB-CZ2 4.48Å; V199-W201 HydrophobicContact CG1-CD2 3.82Å; V199-W201 HydrophobicContact CG1-CE3 4.5Å; V199-W201 HydrophobicContact CG1-CG 4.14Å; V199-W201 HydrophobicContact CG1-CH2 4.44Å; V199-W201 HydrophobicContact CG1-CZ2 3.75Å; V199-W201 PolarHBondContact O-N 3.17Å; W201-L203 PolarHBondContact O-N 3.46Å; W201-L203 VanDerWaalsContact O-N 3.08Å; W201-S204 WeakPolarHBondContact O-CB 3.49Å; W201-S204 PolarHBondContact O-N 2.88Å; W201-A519 HydrophobicContact CH2-CB 4.04Å; W201-A519 HydrophobicContact CZ2-CB 3.89Å
202	G	97.6	Very high	98.2	Very high	76 Å²	76	40 Å²	40	78%	0.784	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-68.4	-4.7	-175	0	0	0	0	0	115.5	A200	A200-G202 PolarHBondContact O-N 2.89Å; A200-G202 VanDerWaalsContact O-N 3.12Å
203	L	97.6	Very high	98.2	Very high	30 Å²	30	40 Å²	40	16%	0.157	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-97.3	-4.2	177.8	-59.9	177.7	0	0	0	113.3	L168 Y180 L193 A200 W201 Q206 L211	L168-L203 HydrophobicContact CD1-CD1 3.68Å; Y180-L203 WeakPolarHBondContact CE2-O 3.3Å; L193-L203 HydrophobicContact CD2-CB 3.67Å; L193-L203 HydrophobicContact CD2-CD1 3.97Å; L193-L203 HydrophobicContact CD2-CG 4.42Å; A200-L203 HydrophobicContact CB-CD1 3.96Å; A200-L203 HydrophobicContact CB-CG 4.42Å; A200-L203 PolarHBondContact O-N 2.93Å; A200-L203 VanDerWaalsContact O-N 3.17Å; W201-L203 PolarHBondContact O-N 3.46Å; W201-L203 VanDerWaalsContact O-N 3.08Å; L203-Q206 WeakPolarHBondContact O-CB 3.46Å; L203-Q206 PolarHBondContact O-N 3.17Å; L203-L211 HydrophobicContact CB-CD2 4.28Å; L203-L211 HydrophobicContact CD1-CD1 4.27Å; L203-L211 HydrophobicContact CD1-CD2 4.17Å; L203-L211 HydrophobicContact CD2-CD1 4.35Å
204	S	97.1	Very high	98.2	Very high	61 Å²	61	45.1 Å²	45.1	43%	0.427	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	142.7	176.1	-168.8	0	0	0	0	112.1	W201 Q206	W201-S204 WeakPolarHBondContact O-CB 3.49Å; W201-S204 PolarHBondContact O-N 2.88Å; S204-Q206 VanDerWaalsContact C-N 3.35Å
205	G	96.9	Very high	98.2	Very high	53 Å²	53	47.7 Å²	47.7	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-10.7	-176.5	0	0	0	0	0	114.8	Y178	Y178-G205 PolarHBondContact O-N 2.8Å
206	Q	97.8	Very high	98.2	Very high	70 Å²	70	43.6 Å²	43.6	33%	0.327	25%	0.254	S	S	.	.	S	Bend	trans	-86.7	140.1	171.5	-60	-176.8	53.6	0	0	110.2	Y180 L203 S204 S208	Y180-Q206 PolarHBondContact OH-O 3.4Å; L203-Q206 WeakPolarHBondContact O-CB 3.46Å; L203-Q206 PolarHBondContact O-N 3.17Å; S204-Q206 VanDerWaalsContact C-N 3.35Å; Q206-S208 PolarHBondContact O-N 3.49Å
207	Y	98.5	Very high	98.2	Very high	14 Å²	14	43.7 Å²	43.7	6%	0.055	25%	0.251	C	S	.	.			trans	-72.6	121.6	177.2	-172.3	-115.3	0	0	0	111.1	Y177 Y178 T209 M210 L211 Q243 P245 C269	Y177-Y207 HydrophobicContact CD1-CD2 4.06Å; Y177-Y207 HydrophobicContact CD1-CE1 4.33Å; Y177-Y207 AromaticContact CD1-CE2 3.32Å; Y177-Y207 HydrophobicContact CD1-CE2 3.32Å; Y177-Y207 AromaticContact CD1-CZ 3.47Å; Y177-Y207 VanDerWaalsContact CD1-CZ 3.47Å; Y177-Y207 HydrophobicContact CE1-CE2 4.3Å; Y177-Y207 HydrophobicContact CG-CD2 4.24Å; Y177-Y207 AromaticContact CG-CE2 3.55Å; Y177-Y207 HydrophobicContact CG-CE2 3.55Å; Y177-Y207 CarbonylContact O-C 3.5Å; Y177-Y207 WeakPolarHBondContact O-CA 3.27Å; Y178-Y207 HydrophobicContact CD1-CD2 4.38Å; Y178-Y207 HydrophobicContact CD2-CD2 4.18Å; Y178-Y207 AromaticContact CE1-CD2 3.83Å; Y178-Y207 HydrophobicContact CE1-CD2 3.83Å; Y178-Y207 HydrophobicContact CE1-CG 4.21Å; Y178-Y207 AromaticContact CE2-CD2 3.59Å; Y178-Y207 HydrophobicContact CE2-CD2 3.59Å; Y178-Y207 HydrophobicContact CE2-CE2 4.05Å; Y178-Y207 AromaticContact CZ-CD2 3.39Å; Y207-T209 VanDerWaalsContact C-N 3.31Å; Y207-T209 HydrophobicContact CE1-CG2 4.49Å; Y207-T209 WeakPolarHBondContact CE1-OG1 3.37Å; Y207-T209 PolarHBondContact O-N 3.05Å; Y207-T209 VanDerWaalsContact O-N 3.15Å; Y207-M210 HydrophobicContact CD1-CG 4.29Å; Y207-M210 PolarHBondContact O-N 3.18Å; Y207-L211 PolarHBondContact O-N 2.97Å; Y207-Q243 VanDerWaalsContact CE2-O 3.28Å; Y207-Q243 WeakPolarHBondContact CE2-O 3.39Å; Y207-Q243 PolarHBondContact OH-O 3.4Å; Y207-P245 HydrophobicContact CD1-CG 3.83Å; Y207-P245 HydrophobicContact CD2-CG 4.32Å; Y207-P245 HydrophobicContact CE1-CG 4.14Å; Y207-P245 HydrophobicContact CG-CG 3.94Å; Y207-C269 HydrophobicContact CE1-CB 4.35Å; Y207-C269 VanDerWaalsContact CE1-SG 3.56Å
208	S	98.4	Very high	98.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-52.6	-42.7	-168.4	71.2	0	0	0	0	113.9	Y177 Q206 M210 L211 Y212 Q236	Y177-S208 WeakPolarHBondContact CD1-OG 3.47Å; Y177-S208 PolarHBondContact O-N 3.46Å; Q206-S208 PolarHBondContact O-N 3.49Å; S208-M210 VanDerWaalsContact C-N 3.34Å; S208-M210 PolarHBondContact O-N 3.29Å; S208-L211 PolarHBondContact O-N 3.49Å; S208-Y212 WeakPolarHBondContact O-CB 3.34Å; S208-Y212 VanDerWaalsContact O-CD2 3.29Å; S208-Y212 WeakPolarHBondContact O-CD2 3.47Å; S208-Y212 PolarHBondContact O-N 3.04Å; S208-Q236 PolarHBondContact OG-OE1 3.08Å; S208-Q236 VanDerWaalsContact OG-OE1 3.08Å
209	T	98.6	Very high	98.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-43.7	177.7	-51.7	0	0	0	0	112.7	Y207 A213 F235 A237 M270 A273	Y207-T209 VanDerWaalsContact C-N 3.31Å; Y207-T209 HydrophobicContact CE1-CG2 4.49Å; Y207-T209 WeakPolarHBondContact CE1-OG1 3.37Å; Y207-T209 PolarHBondContact O-N 3.05Å; Y207-T209 VanDerWaalsContact O-N 3.15Å; T209-A213 PolarHBondContact O-N 2.05Å; T209-F235 HydrophobicContact CG2-CD1 4.11Å; T209-F235 HydrophobicContact CG2-CE1 4.11Å; T209-F235 WeakPolarHBondContact O-CE1 3.38Å; T209-A237 HydrophobicContact CG2-CB 4.17Å; T209-M270 HydrophobicContact CG2-CB 4.07Å; T209-A273 HydrophobicContact CG2-CB 3.82Å
210	M	98.4	Very high	98.3	Very high	38 Å²	38	38.8 Å²	38.8	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-78	-37.3	-179.8	-67.4	-58.6	-72.1	0	0	111.5	Y207 S208 Y212 A213 Q214 A273	Y207-M210 HydrophobicContact CD1-CG 4.29Å; Y207-M210 PolarHBondContact O-N 3.18Å; S208-M210 VanDerWaalsContact C-N 3.34Å; S208-M210 PolarHBondContact O-N 3.29Å; M210-Y212 VanDerWaalsContact C-N 3.29Å; M210-Y212 PolarHBondContact O-N 3.13Å; M210-A213 PolarHBondContact O-N 2.98Å; M210-Q214 WeakPolarHBondContact O-CB 3.45Å; M210-Q214 VanDerWaalsContact O-CG 3.22Å; M210-Q214 WeakPolarHBondContact O-CG 3.34Å; M210-Q214 PolarHBondContact O-N 2.96Å; M210-A273 HydrophobicContact SD-CB 4.41Å
211	L	98.8	Very high	98.3	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-55.3	-47.1	171.9	173.7	64.8	0	0	0	110.8	L168 Y180 L193 L203 Y207 S208 Q214 R215	L168-L211 HydrophobicContact CD2-CD1 4.29Å; L168-L211 HydrophobicContact CD2-CD2 4.43Å; L168-L211 HydrophobicContact CD2-CG 4.16Å; Y180-L211 HydrophobicContact CE1-CD2 4.31Å; Y180-L211 WeakPolarHBondContact OH-CD2 3.32Å; L193-L211 HydrophobicContact CD1-CD2 4.5Å; L193-L211 HydrophobicContact CD2-CD2 4Å; L203-L211 HydrophobicContact CB-CD2 4.28Å; L203-L211 HydrophobicContact CD1-CD1 4.27Å; L203-L211 HydrophobicContact CD1-CD2 4.17Å; L203-L211 HydrophobicContact CD2-CD1 4.35Å; Y207-L211 PolarHBondContact O-N 2.97Å; S208-L211 PolarHBondContact O-N 3.49Å; L211-Q214 PolarHBondContact O-N 2.8Å; L211-R215 PolarHBondContact O-N 3.1Å
212	Y	98.8	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-40.7	-179.5	-62.4	-20	0	0	0	112.3	V145 L193 S208 M210 Q214 R215 A216 F235 Q236	V145-Y212 VanDerWaalsContact CG1-CA 3.5Å; V145-Y212 HydrophobicContact CG1-CD1 3.59Å; V145-Y212 HydrophobicContact CG1-CG 3.75Å; L193-Y212 HydrophobicContact CD1-CE1 4.16Å; S208-Y212 WeakPolarHBondContact O-CB 3.34Å; S208-Y212 VanDerWaalsContact O-CD2 3.29Å; S208-Y212 WeakPolarHBondContact O-CD2 3.47Å; S208-Y212 PolarHBondContact O-N 3.04Å; M210-Y212 VanDerWaalsContact C-N 3.29Å; M210-Y212 PolarHBondContact O-N 3.13Å; Y212-Q214 PolarHBondContact O-N 3.1Å; Y212-R215 PolarHBondContact O-N 2.87Å; Y212-A216 WeakPolarHBondContact O-CB 3.2Å; Y212-A216 PolarHBondContact O-N 3.43Å; Y212-F235 HydrophobicContact CD2-CD1 4.22Å; Y212-Q236 HydrophobicContact CE2-CB 4.43Å
213	A	98.8	Very high	98.4	Very high	1 Å²	1	36 Å²	36	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-38.5	174.8	0	0	0	0	0	113	T209 M210 S217 A273 I277	T209-A213 PolarHBondContact O-N 2.05Å; M210-A213 PolarHBondContact O-N 2.98Å; A213-S217 WeakPolarHBondContact O-CB 3.45Å; A213-S217 PolarHBondContact O-N 3.19Å; A213-S217 PolarHBondContact O-OG 3.42Å; A213-A273 HydrophobicContact CB-CB 3.73Å; A213-I277 HydrophobicContact CB-CD1 4.42Å; A213-I277 HydrophobicContact CB-CG1 4.33Å
214	Q	98.8	Very high	98.3	Very high	106 Å²	106	37.2 Å²	37.2	50%	0.495	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-45.5	175.5	-72.9	170.5	10.7	0	0	111	M210 L211 Y212 S217 H218	M210-Q214 WeakPolarHBondContact O-CB 3.45Å; M210-Q214 VanDerWaalsContact O-CG 3.22Å; M210-Q214 WeakPolarHBondContact O-CG 3.34Å; M210-Q214 PolarHBondContact O-N 2.96Å; L211-Q214 PolarHBondContact O-N 2.8Å; Y212-Q214 PolarHBondContact O-N 3.1Å; Q214-S217 WeakPolarHBondContact O-CB 3.24Å; Q214-S217 PolarHBondContact O-N 3.14Å; Q214-H218 PolarHBondContact O-N 3.29Å
215	R	98.8	Very high	98.2	Very high	61 Å²	61	36 Å²	36	23%	0.23	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-45.3	176.2	179.2	58.1	62.1	137.9	9.5	112	V145 L168 E195 L211 Y212 S217 H218 I219	V145-R215 HydrophobicContact CG1-CB 4.05Å; V145-R215 HydrophobicContact CG1-CG 4.15Å; V145-R215 HydrophobicContact CG2-CB 4.33Å; V145-R215 HydrophobicContact CG2-CG 3.77Å; L168-R215 HydrophobicContact CB-CG 4.02Å; L168-R215 HydrophobicContact CD2-CB 3.6Å; L168-R215 HydrophobicContact CD2-CG 3.61Å; L168-R215 HydrophobicContact CG-CG 4.46Å; E195-R215 VanDerWaalsContact CD-NH2 3.32Å; E195-R215 IonicContact OE1-CZ 2.71Å; E195-R215 IonicContact OE1-NH1 2.69Å; E195-R215 PolarHBondContact OE1-NH1 2.92Å; E195-R215 IonicContact OE1-NH2 3.78Å; E195-R215 PolarHBondContact OE1-NH2 3.1Å; E195-R215 IonicContact OE2-NH2 3.41Å; L211-R215 PolarHBondContact O-N 3.1Å; Y212-R215 PolarHBondContact O-N 2.87Å; R215-S217 VanDerWaalsContact C-N 3.29Å; R215-S217 PolarHBondContact O-N 3.32Å; R215-H218 PolarHBondContact O-N 3.4Å; R215-H218 VanDerWaalsContact O-N 3.17Å; R215-I219 HydrophobicContact CG-CD1 4.09Å; R215-I219 WeakPolarHBondContact O-CG1 3.33Å; R215-I219 PolarHBondContact O-N 3.35Å
216	A	98.9	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.3	-44.5	173.4	0	0	0	0	0	111.8	Y212 H218 I219 L220 L231 V233 I277	Y212-A216 WeakPolarHBondContact O-CB 3.2Å; Y212-A216 PolarHBondContact O-N 3.43Å; A216-H218 VanDerWaalsContact C-N 3.34Å; A216-H218 PolarHBondContact O-N 3.31Å; A216-I219 PolarHBondContact O-N 3.39Å; A216-L220 WeakPolarHBondContact O-CG 3.07Å; A216-L220 PolarHBondContact O-N 3.38Å; A216-L220 VanDerWaalsContact O-N 3.07Å; A216-L231 HydrophobicContact CB-CD2 3.95Å; A216-V233 HydrophobicContact CB-CG2 4.38Å; A216-I277 HydrophobicContact CB-CD1 4.12Å; A216-I277 HydrophobicContact CB-CG1 3.9Å
217	S	98.8	Very high	98	Very high	28 Å²	28	41.9 Å²	41.9	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-35.2	177.4	-57.6	0	0	0	0	112.7	A213 Q214 R215 L220 A221	A213-S217 WeakPolarHBondContact O-CB 3.45Å; A213-S217 PolarHBondContact O-N 3.19Å; A213-S217 PolarHBondContact O-OG 3.42Å; Q214-S217 WeakPolarHBondContact O-CB 3.24Å; Q214-S217 PolarHBondContact O-N 3.14Å; R215-S217 VanDerWaalsContact C-N 3.29Å; R215-S217 PolarHBondContact O-N 3.32Å; S217-L220 PolarHBondContact O-N 3.36Å; S217-A221 WeakPolarHBondContact O-CB 3.43Å; S217-A221 PolarHBondContact O-N 3.36Å
218	H	98.7	Very high	97.9	Very high	114 Å²	114	42.2 Å²	42.2	53%	0.528	22%	0.222	S	C	.	.	H	α-helix	trans	-69	-41	175.9	-177.5	74.6	0	0	0	112.4	Q214 R215 A216 L220 A221 S222	Q214-H218 PolarHBondContact O-N 3.29Å; R215-H218 PolarHBondContact O-N 3.4Å; R215-H218 VanDerWaalsContact O-N 3.17Å; A216-H218 VanDerWaalsContact C-N 3.34Å; A216-H218 PolarHBondContact O-N 3.31Å; H218-L220 VanDerWaalsContact C-N 3.32Å; H218-L220 PolarHBondContact O-N 3.05Å; H218-A221 PolarHBondContact O-N 3.1Å; H218-S222 WeakPolarHBondContact O-CB 3.47Å; H218-S222 PolarHBondContact O-N 2.9Å; H218-S222 PolarHBondContact O-OG 2.91Å
219	I	98.8	Very high	97.9	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.056	22%	0.222	C	C	.	.	H	α-helix	trans	-57.6	-48.4	172	-69.6	157.7	0	0	0	109.5	H143 V145 R215 A216 A221 S222 H223 L231	H143-I219 HydrophobicContact CB-CD1 3.9Å; H143-I219 HydrophobicContact CB-CG2 4.27Å; V145-I219 HydrophobicContact CG2-CD1 3.86Å; R215-I219 HydrophobicContact CG-CD1 4.09Å; R215-I219 WeakPolarHBondContact O-CG1 3.33Å; R215-I219 PolarHBondContact O-N 3.35Å; A216-I219 PolarHBondContact O-N 3.39Å; I219-A221 VanDerWaalsContact C-N 3.3Å; I219-A221 PolarHBondContact O-N 3.46Å; I219-S222 PolarHBondContact O-N 2.84Å; I219-S222 PolarHBondContact O-OG 2.95Å; I219-H223 WeakPolarHBondContact O-CB 3.42Å; I219-H223 PolarHBondContact O-N 3.08Å; I219-L231 HydrophobicContact CD1-CD1 4.05Å
220	L	98.8	Very high	97.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-34.7	178	-66.6	171.5	0	0	0	112.8	A216 S217 H218 S222 L229 A280 L281 Y284 F286	A216-L220 WeakPolarHBondContact O-CG 3.07Å; A216-L220 PolarHBondContact O-N 3.38Å; A216-L220 VanDerWaalsContact O-N 3.07Å; S217-L220 PolarHBondContact O-N 3.36Å; H218-L220 VanDerWaalsContact C-N 3.32Å; H218-L220 PolarHBondContact O-N 3.05Å; L220-S222 VanDerWaalsContact C-N 3.34Å; L220-L229 HydrophobicContact CD2-CD2 3.77Å; L220-A280 HydrophobicContact CB-CB 4.49Å; L220-A280 HydrophobicContact CD1-CB 3.8Å; L220-L281 HydrophobicContact CD1-CD2 3.66Å; L220-L281 HydrophobicContact CD1-CG 3.86Å; L220-L281 HydrophobicContact CD2-CD2 3.61Å; L220-L281 HydrophobicContact CG-CD2 4.29Å; L220-Y284 HydrophobicContact CB-CD2 4.09Å; L220-F286 HydrophobicContact CB-CD2 4.43Å; L220-F286 HydrophobicContact CB-CE2 4.24Å; L220-F286 HydrophobicContact CD2-CD1 4.36Å; L220-F286 HydrophobicContact CD2-CD2 3.92Å; L220-F286 HydrophobicContact CD2-CE2 4.11Å; L220-F286 HydrophobicContact CD2-CG 4.05Å; L220-F286 HydrophobicContact CD2-CZ 4.4Å; L220-F286 WeakPolarHBondContact O-CE2 3.16Å
221	A	98.6	Very high	98	Very high	48 Å²	48	40.4 Å²	40.4	40%	0.397	21%	0.213	S	C	.	.	H	α-helix	trans	-70.5	-29.7	177.8	0	0	0	0	0	113.5	S217 H218 I219 Y284	S217-A221 WeakPolarHBondContact O-CB 3.43Å; S217-A221 PolarHBondContact O-N 3.36Å; H218-A221 PolarHBondContact O-N 3.1Å; I219-A221 VanDerWaalsContact C-N 3.3Å; I219-A221 PolarHBondContact O-N 3.46Å; A221-Y284 HydrophobicContact CB-CD2 4.18Å; A221-Y284 HydrophobicContact CB-CE1 4.01Å; A221-Y284 HydrophobicContact CB-CE2 3.57Å; A221-Y284 VanDerWaalsContact CB-CZ 3.47Å
222	S	97.9	Very high	98	Very high	86 Å²	86	40.1 Å²	40.1	60%	0.601	21%	0.211	S	C	*	.	H	α-helix	trans	-98.2	-22.7	-174.7	52.7	0	0	0	0	113.4	H218 I219 L220	H218-S222 WeakPolarHBondContact O-CB 3.47Å; H218-S222 PolarHBondContact O-N 2.9Å; H218-S222 PolarHBondContact O-OG 2.91Å; I219-S222 PolarHBondContact O-N 2.84Å; I219-S222 PolarHBondContact O-OG 2.95Å; L220-S222 VanDerWaalsContact C-N 3.34Å
223	H	97.8	Very high	98	Very high	26 Å²	26	40.1 Å²	40.1	12%	0.12	21%	0.211	C	C	.	.	S	Bend	trans	-83.8	146.2	179.9	-171.3	79.1	0	0	0	111.5	S141 I219 R227 F286	S141-H223 VanDerWaalsContact CB-CE1 3.48Å; S141-H223 WeakPolarHBondContact CB-CE1 3.4Å; S141-H223 PolarHBondContact OG-CE1 3.12Å; S141-H223 PolarHBondContact OG-ND1 3.05Å; I219-H223 WeakPolarHBondContact O-CB 3.42Å; I219-H223 PolarHBondContact O-N 3.08Å; H223-R227 PolarHBondContact NE2-O 3.13Å; H223-F286 HydrophobicContact CB-CZ 4.37Å; H223-F286 AromaticContact CD2-CE1 3.81Å; H223-F286 WeakPolarHBondContact O-CZ 3.24Å
224	S	96.6	Very high	98	Very high	54 Å²	54	40 Å²	40	38%	0.378	21%	0.211	S	C	.	.			trans	-80.5	127.7	176.9	160.6	0	0	0	0	110.9	Q226 R227	S224-Q226 PolarHBondContact O-N 2.8Å; S224-Q226 PolarHBondContact OG-N 3.4Å; S224-Q226 PolarHBondContact OG-OE1 2.92Å; S224-R227 PolarHBondContact O-N 3.24Å; S224-R227 VanDerWaalsContact O-N 3.1Å
225	P	94.8	Very high	98	Very high	35 Å²	35	35 Å²	35	23%	0.227	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.3	174.5	-22.9	33.4	0	0	0	114.9	H48 Y284 F286	H48-P225 PolarHBondContact CE1-O 3.18Å; H48-P225 VanDerWaalsContact CE1-O 3.29Å; H48-P225 PolarHBondContact NE2-O 2.9Å; P225-Y284 WeakPolarHBondContact CG-O 3.42Å; P225-F286 VanDerWaalsContact CA-CE1 3.45Å; P225-F286 HydrophobicContact CB-CD1 4.28Å; P225-F286 HydrophobicContact CB-CE1 4Å; P225-F286 HydrophobicContact CB-CZ 4.14Å; P225-F286 HydrophobicContact CG-CD2 4.37Å; P225-F286 HydrophobicContact CG-CE1 4.09Å; P225-F286 HydrophobicContact CG-CE2 3.84Å; P225-F286 HydrophobicContact CG-CZ 3.7Å
226	Q	93.9	Very high	97.9	Very high	131 Å²	131	32.1 Å²	32.1	61%	0.612	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.5	178	-65.2	71.8	38.1	0	0	112.7	Q45 S224	Q45-Q226 PolarHBondContact OE1-O 3.45Å; S224-Q226 PolarHBondContact O-N 2.8Å; S224-Q226 PolarHBondContact OG-N 3.4Å; S224-Q226 PolarHBondContact OG-OE1 2.92Å
227	R	95.8	Very high	97.9	Very high	116 Å²	116	32.1 Å²	32.1	44%	0.438	18%	0.177	S	C	.	.	S	Bend	trans	-104.4	126.8	176.4	178.2	174.7	144.1	115	-4.9	109.1	H48 S141 H223 S224	H48-R227 PolarHBondContact CE1-O 3.33Å; H48-R227 VanDerWaalsContact CE1-O 3.32Å; S141-R227 PolarHBondContact OG-NE 3.4Å; S141-R227 PolarHBondContact OG-NH2 3.37Å; H223-R227 PolarHBondContact NE2-O 3.13Å; S224-R227 PolarHBondContact O-N 3.24Å; S224-R227 VanDerWaalsContact O-N 3.1Å
228	P	97.8	Very high	97.8	Very high	21 Å²	21	30.9 Å²	30.9	14%	0.136	17%	0.168	C	C	.	.			trans	-60.7	146.5	179.1	25.5	-33.5	0	0	0	111	P46 Y140 S141	P46-P228 HydrophobicContact CB-CB 4.34Å; Y140-P228 HydrophobicContact CD1-CB 3.91Å; Y140-P228 HydrophobicContact CD2-CB 3.92Å; Y140-P228 HydrophobicContact CD2-CG 3.99Å; Y140-P228 HydrophobicContact CE1-CB 3.72Å; Y140-P228 HydrophobicContact CE2-CB 3.73Å; Y140-P228 HydrophobicContact CE2-CG 4.04Å; Y140-P228 HydrophobicContact CG-CB 3.98Å; Y140-P228 HydrophobicContact CG-CG 4.31Å; S141-P228 PolarHBondContact N-O 2.62Å
229	L	98.2	Very high	97.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143	-178	88.3	93.1	0	0	0	110.2	H48 I49 I50 Y140 S141 L220 L231 F286	H48-L229 CarbonylContact C-O 3.51Å; H48-L229 WeakPolarHBondContact CA-O 3.26Å; H48-L229 HydrophobicContact CB-CD2 4.46Å; H48-L229 HydrophobicContact CB-CG 4.15Å; H48-L229 PolarHBondContact ND1-N 3.22Å; I49-L229 PolarHBondContact N-O 2.84Å; I50-L229 HydrophobicContact CD1-CD1 3.85Å; Y140-L229 VanDerWaalsContact CD1-C 3.5Å; S141-L229 CarbonylContact O-C 3.38Å; S141-L229 WeakPolarHBondContact O-CA 3.49Å; L220-L229 HydrophobicContact CD2-CD2 3.77Å; L229-L231 HydrophobicContact CD1-CB 3.5Å; L229-F286 HydrophobicContact CD2-CD1 3.49Å; L229-F286 VanDerWaalsContact CD2-CD1 3.49Å; L229-F286 HydrophobicContact CD2-CE1 3.3Å; L229-F286 HydrophobicContact CD2-CG 4.42Å; L229-F286 HydrophobicContact CD2-CZ 4.1Å
230	F	98.9	Very high	97.7	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.7	168.4	173.6	-130.5	0	0	0	108.4	I49 F51 L131 P132 L135 Y140 S141 T142 H143 F164 Y232	I49-F230 HydrophobicContact CB-CD2 3.91Å; I49-F230 HydrophobicContact CG2-CD2 3.62Å; I49-F230 HydrophobicContact CG2-CE2 3.93Å; I49-F230 CarbonylContact O-C 3.56Å; I49-F230 WeakPolarHBondContact O-CA 3.45Å; F51-F230 HydrophobicContact CB-CE2 4.02Å; L131-F230 HydrophobicContact CD2-CZ 4.03Å; P132-F230 HydrophobicContact CB-CD1 4.09Å; P132-F230 HydrophobicContact CB-CE1 4.03Å; L135-F230 HydrophobicContact CD1-CB 3.76Å; L135-F230 HydrophobicContact CD1-CD1 3.62Å; L135-F230 HydrophobicContact CD1-CD2 3.9Å; L135-F230 HydrophobicContact CD1-CE1 4.14Å; L135-F230 HydrophobicContact CD1-CE2 4.4Å; L135-F230 HydrophobicContact CD1-CG 3.47Å; L135-F230 VanDerWaalsContact CD1-CG 3.47Å; Y140-F230 HydrophobicContact CD1-CB 4.09Å; S141-F230 PolarHBondContact O-N 3.1Å; T142-F230 WeakPolarHBondContact CA-O 3.37Å; T142-F230 HydrophobicContact CG2-CB 4.25Å; T142-F230 HydrophobicContact CG2-CD1 4.2Å; H143-F230 PolarHBondContact N-O 3.05Å; F164-F230 AromaticContact CE1-CD1 3.95Å; F164-F230 HydrophobicContact CE1-CD1 3.95Å; F164-F230 AromaticContact CE1-CE1 3.58Å; F164-F230 HydrophobicContact CE1-CE1 3.58Å; F164-F230 AromaticContact CZ-CE1 3.95Å; F164-F230 HydrophobicContact CZ-CE1 3.95Å; F230-Y232 HydrophobicContact CZ-CG 4.49Å
231	L	98.9	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	108.3	178.1	-179.8	63.6	0	0	0	108.8	I49 I50 F51 H143 V145 A216 I219 L229 V233	I49-L231 PolarHBondContact O-N 3.12Å; I50-L231 HydrophobicContact CD1-CB 3.8Å; I50-L231 HydrophobicContact CD1-CD2 4.29Å; I50-L231 HydrophobicContact CG2-CD2 4.46Å; F51-L231 PolarHBondContact N-O 3.19Å; H143-L231 HydrophobicContact CB-CD1 3.8Å; H143-L231 WeakPolarHBondContact O-CA 3.39Å; V145-L231 HydrophobicContact CG2-CD1 4.31Å; A216-L231 HydrophobicContact CB-CD2 3.95Å; I219-L231 HydrophobicContact CD1-CD1 4.05Å; L229-L231 HydrophobicContact CD1-CB 3.5Å; L231-V233 HydrophobicContact CD1-CG2 4.31Å; L231-V233 HydrophobicContact CD2-CG2 4.02Å; L231-V233 HydrophobicContact CG-CG2 3.73Å
232	Y	98.9	Very high	97.6	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	104.1	174.3	-179.8	-140.7	0	0	0	109.7	F51 L53 L100 H143 M144 V145 F164 F230 A234	F51-Y232 HydrophobicContact CB-CD2 4.22Å; F51-Y232 HydrophobicContact CD1-CD2 4.15Å; F51-Y232 HydrophobicContact CD1-CE2 4.12Å; F51-Y232 HydrophobicContact CG-CD2 4.47Å; L53-Y232 HydrophobicContact CB-CE2 3.81Å; L53-Y232 HydrophobicContact CD2-CE2 4.11Å; L53-Y232 WeakPolarHBondContact CD2-OH 3.45Å; L100-Y232 HydrophobicContact CD2-CE2 3.87Å; H143-Y232 PolarHBondContact O-N 2.8Å; M144-Y232 WeakPolarHBondContact CA-O 3.27Å; M144-Y232 HydrophobicContact CB-CD1 4.47Å; M144-Y232 HydrophobicContact CE-CD1 4.08Å; M144-Y232 HydrophobicContact CE-CE1 3.85Å; M144-Y232 HydrophobicContact CG-CD1 3.82Å; M144-Y232 HydrophobicContact SD-CD1 3.79Å; M144-Y232 HydrophobicContact SD-CE1 4.05Å; V145-Y232 PolarHBondContact N-O 3.45Å; F164-Y232 HydrophobicContact CE1-CD1 4.36Å; F164-Y232 HydrophobicContact CE2-CD1 4.35Å; F164-Y232 AromaticContact CZ-CD1 3.66Å; F164-Y232 HydrophobicContact CZ-CD1 3.66Å; F164-Y232 HydrophobicContact CZ-CG 4.24Å; F230-Y232 HydrophobicContact CZ-CG 4.49Å; Y232-A234 HydrophobicContact CD1-CB 4.41Å; Y232-A234 HydrophobicContact CE1-CB 3.87Å; Y232-A234 HydrophobicContact CE2-CB 4Å
233	V	98.9	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	93.2	177.9	-170.3	0	0	0	0	108.4	F51 I52 L53 V145 A216 L231 F235 I277	F51-V233 PolarHBondContact O-N 3.33Å; I52-V233 WeakPolarHBondContact CA-O 3.46Å; I52-V233 HydrophobicContact CG1-CB 4.36Å; L53-V233 PolarHBondContact N-O 2.6Å; V145-V233 CarbonylContact O-C 3.59Å; V145-V233 WeakPolarHBondContact O-CA 3.42Å; A216-V233 HydrophobicContact CB-CG2 4.38Å; L231-V233 HydrophobicContact CD1-CG2 4.31Å; L231-V233 HydrophobicContact CD2-CG2 4.02Å; L231-V233 HydrophobicContact CG-CG2 3.73Å; V233-F235 HydrophobicContact CG1-CD1 4.26Å; V233-F235 HydrophobicContact CG1-CD2 4.04Å; V233-F235 HydrophobicContact CG1-CE1 3.89Å; V233-F235 HydrophobicContact CG1-CE2 3.66Å; V233-F235 HydrophobicContact CG1-CG 4.32Å; V233-F235 HydrophobicContact CG1-CZ 3.57Å; V233-F235 PolarHBondContact O-N 2.87Å; V233-I277 HydrophobicContact CG1-CD1 4.04Å; V233-I277 HydrophobicContact CG2-CD1 4.25Å
234	A	98.8	Very high	97.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	77.1	-178.3	0	0	0	0	0	109.8	L53 M144 V145 G146 K147 Y232 Q236	L53-A234 CarbonylContact O-C 3.43Å; M144-A234 HydrophobicContact CE-CB 4.15Å; V145-A234 PolarHBondContact O-N 2.73Å; G146-A234 CarbonylContact C-O 3.6Å; G146-A234 VanDerWaalsContact CA-O 3.27Å; G146-A234 WeakPolarHBondContact CA-O 3.47Å; K147-A234 PolarHBondContact N-O 3.15Å; K147-A234 WeakPolarHBondContact O-CB 3.41Å; Y232-A234 HydrophobicContact CD1-CB 4.41Å; Y232-A234 HydrophobicContact CE1-CB 3.87Å; Y232-A234 HydrophobicContact CE2-CB 4Å; A234-Q236 PolarHBondContact O-N 2.83Å
235	F	98.8	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.			trans	-56.4	140	-179.4	-73.2	-63.5	0	0	0	111.2	I52 L53 D55 T209 Y212 V233 A237 M270 A273 V274 I277	I52-F235 HydrophobicContact CG2-CD2 3.82Å; I52-F235 HydrophobicContact CG2-CE2 3.69Å; L53-F235 PolarHBondContact O-N 2.69Å; D55-F235 WeakPolarHBondContact CB-O 3.29Å; T209-F235 HydrophobicContact CG2-CD1 4.11Å; T209-F235 HydrophobicContact CG2-CE1 4.11Å; T209-F235 WeakPolarHBondContact O-CE1 3.38Å; Y212-F235 HydrophobicContact CD2-CD1 4.22Å; V233-F235 HydrophobicContact CG1-CD1 4.26Å; V233-F235 HydrophobicContact CG1-CD2 4.04Å; V233-F235 HydrophobicContact CG1-CE1 3.89Å; V233-F235 HydrophobicContact CG1-CE2 3.66Å; V233-F235 HydrophobicContact CG1-CG 4.32Å; V233-F235 HydrophobicContact CG1-CZ 3.57Å; V233-F235 PolarHBondContact O-N 2.87Å; F235-A237 HydrophobicContact CB-CB 4.09Å; F235-M270 HydrophobicContact CD2-CG 4.04Å; F235-M270 HydrophobicContact CE2-CG 4.33Å; F235-M270 HydrophobicContact CG-CG 4.36Å; F235-A273 HydrophobicContact CE1-CB 4.05Å; F235-A273 HydrophobicContact CZ-CB 3.8Å; F235-V274 HydrophobicContact CE2-CG2 4.02Å; F235-I277 HydrophobicContact CE2-CD1 4.41Å; F235-I277 HydrophobicContact CZ-CD1 3.85Å
236	Q	97.6	Very high	97.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.156	C	C	.	.			trans	-70	-27.9	161	-176.3	-166.5	-15.3	0	0	110.5	D55 V175 Y177 S208 Y212 A234 V238 H239	D55-Q236 WeakPolarHBondContact CB-O 3.24Å; V175-Q236 PolarHBondContact O-NE2 2.85Å; Y177-Q236 HydrophobicContact CE1-CB 4.37Å; Y177-Q236 HydrophobicContact CE1-CG 4.21Å; Y177-Q236 HydrophobicContact CE2-CG 4.41Å; Y177-Q236 PolarHBondContact OH-O 2.8Å; S208-Q236 PolarHBondContact OG-OE1 3.08Å; S208-Q236 VanDerWaalsContact OG-OE1 3.08Å; Y212-Q236 HydrophobicContact CE2-CB 4.43Å; A234-Q236 PolarHBondContact O-N 2.83Å; Q236-V238 PolarHBondContact O-N 2.94Å; Q236-H239 WeakPolarHBondContact O-CB 3.44Å; Q236-H239 PolarHBondContact O-N 2.95Å
237	A	98.2	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	125.9	173	0	0	0	0	0	109.7	D55 Y177 T209 F235 M270	D55-A237 PolarHBondContact N-O 3.07Å; D55-A237 CarbonylContact O-C 3.56Å; Y177-A237 WeakPolarHBondContact OH-CA 3.29Å; Y177-A237 PolarHBondContact OH-N 2.8Å; T209-A237 HydrophobicContact CG2-CB 4.17Å; F235-A237 HydrophobicContact CB-CB 4.09Å; A237-M270 HydrophobicContact CB-CB 3.87Å; A237-M270 HydrophobicContact CB-CG 3.93Å; A237-M270 HydrophobicContact CB-SD 4.11Å
238	V	97.8	Very high	97.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	cis	-123.4	36.8	12.8	-68.7	0	0	0	0	112.9	D55 Q57 Q236 Y263 M266 V267 M270	D55-V238 CarbonylContact O-C 3.55Å; D55-V238 PolarHBondContact O-N 3.23Å; Q57-V238 HydrophobicContact CB-CG2 4.16Å; Q57-V238 HydrophobicContact CG-CG2 4.48Å; Q236-V238 PolarHBondContact O-N 2.94Å; V238-Y263 HydrophobicContact CB-CD2 4.24Å; V238-Y263 HydrophobicContact CB-CE2 3.84Å; V238-Y263 HydrophobicContact CG2-CD2 4.18Å; V238-Y263 HydrophobicContact CG2-CE1 4.16Å; V238-Y263 HydrophobicContact CG2-CE2 3.31Å; V238-Y263 VanDerWaalsContact CG2-OH 3.23Å; V238-Y263 WeakPolarHBondContact CG2-OH 3.22Å; V238-M266 HydrophobicContact CB-CB 4.2Å; V238-M266 HydrophobicContact CG1-CB 3.7Å; V238-V267 HydrophobicContact CB-CG2 4.13Å; V238-V267 HydrophobicContact CG1-CB 4.22Å; V238-V267 HydrophobicContact CG1-CG2 3.61Å; V238-V267 HydrophobicContact CG2-CG2 3.87Å; V238-M270 HydrophobicContact CG1-SD 4.44Å
239	H	98.3	Very high	96.9	Very high	18 Å²	18	30 Å²	30	8%	0.083	14%	0.143	C	C	.	.	S	Bend	trans	-63.8	161.4	177.2	-164.9	-80.2	0	0	0	112.3	D55 D56 Y177 Q236 M266 K315	D55-H239 HydrophobicContact CB-CB 3.98Å; D55-H239 PolarHBondContact O-N 3.07Å; D55-H239 VanDerWaalsContact O-N 3.17Å; D55-H239 IonicContact OD1-CD2 3.42Å; D55-H239 PolarHBondContact OD1-CD2 3.2Å; D55-H239 VanDerWaalsContact OD1-CD2 3.29Å; D55-H239 IonicContact OD1-CG 3.85Å; D55-H239 WeakPolarHBondContact OD2-CB 3.2Å; D55-H239 IonicContact OD2-CD2 3.56Å; D55-H239 IonicContact OD2-CG 3.29Å; D56-H239 IonicContact OD1-CD2 3.88Å; D56-H239 IonicContact OD2-CD2 3.89Å; D56-H239 PolarHBondContact OD2-CD2 3.21Å; D56-H239 IonicContact OD2-CG 3.03Å; D56-H239 IonicContact OD2-NE2 3.63Å; Y177-H239 WeakPolarHBondContact CE2-O 3.49Å; Y177-H239 PolarHBondContact OH-N 2.99Å; Y177-H239 PolarHBondContact OH-O 3.38Å; Q236-H239 WeakPolarHBondContact O-CB 3.44Å; Q236-H239 PolarHBondContact O-N 2.95Å; H239-M266 WeakPolarHBondContact O-CE 3.45Å; H239-K315 PolarHBondContact CD2-NZ 2.87Å; H239-K315 PolarHBondContact NE2-NZ 3.38Å
240	T	96.1	Very high	96.6	Very high	44 Å²	44	37.3 Å²	37.3	27%	0.27	17%	0.171	S	C	.	.	S	Bend	trans	-63	154.8	169.9	52.1	0	0	0	0	112.3	L242 S304	T240-L242 HydrophobicContact CG2-CD2 4.32Å; T240-L242 HydrophobicContact CG2-CG 4.43Å; T240-S304 VanDerWaalsContact CG2-CB 3.48Å; T240-S304 WeakPolarHBondContact CG2-OG 3.41Å
241	P	97.6	Very high	96.3	Very high	43 Å²	43	42.6 Å²	42.6	28%	0.279	19%	0.191	S	C	.	.	S	Bend	cis	-72.3	151.4	0.4	31.4	-35.9	0	0	0	113.6	V175 Y177 Q243	V175-P241 WeakPolarHBondContact O-CD 3.35Å; Y177-P241 HydrophobicContact CD2-CG 4.3Å; Y177-P241 WeakPolarHBondContact CD2-O 3.47Å; Y177-P241 WeakPolarHBondContact CE2-O 3.48Å; P241-Q243 HydrophobicContact CB-CG 4.32Å; P241-Q243 HydrophobicContact CG-CG 4.29Å; P241-Q243 PolarHBondContact O-N 3.45Å
242	L	97.3	Very high	96.2	Very high	34 Å²	34	43 Å²	43	18%	0.178	19%	0.193	C	C	.	.			trans	-77.5	86.5	-177.7	-58.9	-178.3	0	0	0	111.5	T240 A259 K262 Y263 M266 S304	T240-L242 HydrophobicContact CG2-CD2 4.32Å; T240-L242 HydrophobicContact CG2-CG 4.43Å; L242-A259 HydrophobicContact CD1-CB 3.74Å; L242-K262 HydrophobicContact CB-CB 3.92Å; L242-K262 HydrophobicContact CB-CD 4.13Å; L242-Y263 HydrophobicContact CD2-CD2 4.26Å; L242-M266 HydrophobicContact CB-SD 4.28Å; L242-M266 HydrophobicContact CD2-SD 3.9Å; L242-S304 WeakPolarHBondContact CD1-O 3.49Å; L242-S304 VanDerWaalsContact CD2-O 3.25Å; L242-S304 WeakPolarHBondContact CD2-O 3.22Å
243	Q	97.3	Very high	95.9	Very high	52 Å²	52	49.4 Å²	49.4	24%	0.243	22%	0.217	C	C	.	.			trans	-128.3	128.9	-177.4	-66.2	173.2	-40.1	0	0	110.1	D176 Y177 Y178 Y207 P241 M266	D176-Q243 PolarHBondContact OD2-NE2 2.9Å; D176-Q243 PolarHBondContact OD2-OE1 2.88Å; Y177-Q243 HydrophobicContact CD2-CB 3.95Å; Y177-Q243 HydrophobicContact CG-CB 4.26Å; Y178-Q243 HydrophobicContact CE2-CB 4.42Å; Y207-Q243 VanDerWaalsContact CE2-O 3.28Å; Y207-Q243 WeakPolarHBondContact CE2-O 3.39Å; Y207-Q243 PolarHBondContact OH-O 3.4Å; P241-Q243 HydrophobicContact CB-CG 4.32Å; P241-Q243 HydrophobicContact CG-CG 4.29Å; P241-Q243 PolarHBondContact O-N 3.45Å; Q243-M266 VanDerWaalsContact O-CG 3.26Å; Q243-M266 WeakPolarHBondContact O-CG 3.38Å
244	S	93.5	Very high	95.5	Very high	16 Å²	16	55.6 Å²	55.6	11%	0.112	26%	0.255	C	S	.	.			trans	-142.6	149.7	178.3	59.6	0	0	0	0	109.8	L249 A265	S244-L249 WeakPolarHBondContact OG-CD2 3.46Å; S244-L249 WeakPolarHBondContact OG-CG 3.15Å; S244-A265 WeakPolarHBondContact OG-CB 3.46Å
245	P	94.6	Very high	95.2	Very high	13 Å²	13	56.4 Å²	56.4	8%	0.084	26%	0.258	C	S	.	.			trans	-56.9	143.8	169.8	-19.5	30	0	0	0	111.2	Y178 Y207 E247 Y248	Y178-P245 WeakPolarHBondContact OH-CA 3.47Å; Y207-P245 HydrophobicContact CD1-CG 3.83Å; Y207-P245 HydrophobicContact CD2-CG 4.32Å; Y207-P245 HydrophobicContact CE1-CG 4.14Å; Y207-P245 HydrophobicContact CG-CG 3.94Å; P245-E247 VanDerWaalsContact C-N 3.25Å; P245-E247 HydrophobicContact CB-CG 4.33Å; P245-E247 VanDerWaalsContact CB-OE1 3.29Å; P245-E247 WeakPolarHBondContact CB-OE1 3.32Å; P245-E247 VanDerWaalsContact CB-OE2 3.23Å; P245-E247 WeakPolarHBondContact CB-OE2 3.18Å; P245-E247 PolarHBondContact O-N 3.36Å; P245-Y248 HydrophobicContact CB-CD2 3.8Å; P245-Y248 HydrophobicContact CB-CE2 4.01Å; P245-Y248 HydrophobicContact CG-CD2 3.99Å; P245-Y248 HydrophobicContact CG-CE2 3.99Å; P245-Y248 PolarHBondContact O-N 3.03Å
246	R	92.3	Very high	94.7	Very high	216 Å²	216	59 Å²	59	82%	0.815	29%	0.285	S	S	*	.	H	α-helix	trans	-63.2	-32.6	-167.3	-175.4	177.7	175.3	-178.5	-1.2	112.6	Y248 L249	R246-Y248 VanDerWaalsContact C-N 3.26Å; R246-Y248 PolarHBondContact O-N 3.42Å; R246-L249 WeakPolarHBondContact O-CB 3.46Å; R246-L249 PolarHBondContact O-N 3.11Å
247	E	92.9	Very high	94.4	Very high	127 Å²	127	59.4 Å²	59.4	59%	0.593	29%	0.288	S	S	*	.	H	α-helix	trans	-60.3	-30.8	179.4	59.4	-89.1	-148.5	0	0	113.2	P245	P245-E247 VanDerWaalsContact C-N 3.25Å; P245-E247 HydrophobicContact CB-CG 4.33Å; P245-E247 VanDerWaalsContact CB-OE1 3.29Å; P245-E247 WeakPolarHBondContact CB-OE1 3.32Å; P245-E247 VanDerWaalsContact CB-OE2 3.23Å; P245-E247 WeakPolarHBondContact CB-OE2 3.18Å; P245-E247 PolarHBondContact O-N 3.36Å
248	Y	95.7	Very high	94.1	Very high	14 Å²	14	63.5 Å²	63.5	6%	0.055	31%	0.312	C	S	.	.	H	α-helix	trans	-79.6	-27.8	178	-63.3	-81.4	0	0	0	112.7	P245 R246 Y250 R251 T268 C269 E272	P245-Y248 HydrophobicContact CB-CD2 3.8Å; P245-Y248 HydrophobicContact CB-CE2 4.01Å; P245-Y248 HydrophobicContact CG-CD2 3.99Å; P245-Y248 HydrophobicContact CG-CE2 3.99Å; P245-Y248 PolarHBondContact O-N 3.03Å; R246-Y248 VanDerWaalsContact C-N 3.26Å; R246-Y248 PolarHBondContact O-N 3.42Å; Y248-Y250 VanDerWaalsContact C-N 3.28Å; Y248-Y250 PolarHBondContact O-N 3.19Å; Y248-R251 PolarHBondContact O-N 2.9Å; Y248-T268 HydrophobicContact CD1-CG2 3.95Å; Y248-T268 HydrophobicContact CE1-CG2 4.45Å; Y248-C269 HydrophobicContact CD1-CB 4.21Å; Y248-C269 HydrophobicContact CD2-CB 3.94Å; Y248-C269 HydrophobicContact CE1-CB 4.08Å; Y248-C269 HydrophobicContact CE2-CB 3.82Å; Y248-C269 HydrophobicContact CG-CB 4.15Å; Y248-E272 WeakPolarHBondContact CE1-OE2 3.38Å; Y248-E272 VanDerWaalsContact OH-CD 3.22Å; Y248-E272 PolarHBondContact OH-OE2 2.97Å
249	L	94	Very high	93.9	Very high	49 Å²	49	64.4 Å²	64.4	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-31.4	180	-70.1	170.5	0	0	0	112.8	S244 R246 R251 Y252 R253 K262 A265	S244-L249 WeakPolarHBondContact OG-CD2 3.46Å; S244-L249 WeakPolarHBondContact OG-CG 3.15Å; R246-L249 WeakPolarHBondContact O-CB 3.46Å; R246-L249 PolarHBondContact O-N 3.11Å; L249-R251 PolarHBondContact O-N 2.78Å; L249-Y252 PolarHBondContact O-N 2.84Å; L249-Y252 VanDerWaalsContact O-N 3.15Å; L249-R253 PolarHBondContact O-N 2.84Å; L249-K262 HydrophobicContact CD2-CB 4.45Å; L249-K262 HydrophobicContact CD2-CG 4.04Å; L249-A265 HydrophobicContact CD2-CB 3.75Å; L249-A265 HydrophobicContact CG-CB 4.17Å
250	Y	91.9	Very high	93.7	Very high	153 Å²	153	63.8 Å²	63.8	60%	0.6	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-62.6	-30	-176.4	-179.2	-103.3	0	0	0	113	Y248 Y252 R253	Y248-Y250 VanDerWaalsContact C-N 3.28Å; Y248-Y250 PolarHBondContact O-N 3.19Å; Y250-Y252 VanDerWaalsContact C-N 3.27Å; Y250-Y252 PolarHBondContact O-N 3.22Å; Y250-R253 WeakPolarHBondContact O-CB 3.38Å; Y250-R253 WeakPolarHBondContact O-CG 3Å; Y250-R253 PolarHBondContact O-N 2.99Å; Y250-R253 PolarHBondContact O-NH1 3.09Å
251	R	93.6	Very high	93.7	Very high	112 Å²	112	65 Å²	65	42%	0.423	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-62.3	-36.8	177.3	-58.8	-171.7	-171.3	-171.1	7.7	111.8	E70 Y248 L249	E70-R251 IonicContact OE2-NH1 2.79Å; Y248-R251 PolarHBondContact O-N 2.9Å; L249-R251 PolarHBondContact O-N 2.78Å
252	Y	95.1	Very high	93.6	Very high	9 Å²	9	67 Å²	67	4%	0.035	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-102	22	-176.6	-55.4	-70.1	0	0	0	113.3	E70 L249 Y250 T254 M255 R261 A264 A265 T268	E70-Y252 WeakPolarHBondContact CB-OH 3.41Å; E70-Y252 PolarHBondContact N-OH 2.83Å; L249-Y252 PolarHBondContact O-N 2.84Å; L249-Y252 VanDerWaalsContact O-N 3.15Å; Y250-Y252 VanDerWaalsContact C-N 3.27Å; Y250-Y252 PolarHBondContact O-N 3.22Å; Y252-T254 PolarHBondContact O-N 2.8Å; Y252-T254 VanDerWaalsContact O-N 3.08Å; Y252-M255 HydrophobicContact CD1-CE 3.68Å; Y252-M255 HydrophobicContact CE1-CE 4.43Å; Y252-M255 HydrophobicContact CG-CE 4.22Å; Y252-M255 WeakPolarHBondContact O-CB 3.23Å; Y252-M255 PolarHBondContact O-N 2.97Å; Y252-R261 WeakPolarHBondContact O-CD 3.39Å; Y252-R261 WeakPolarHBondContact O-CG 3.21Å; Y252-A264 HydrophobicContact CD1-CB 3.92Å; Y252-A264 HydrophobicContact CD2-CB 3.69Å; Y252-A264 HydrophobicContact CE1-CB 3.95Å; Y252-A264 VanDerWaalsContact CE2-C 3.47Å; Y252-A264 HydrophobicContact CE2-CB 3.73Å; Y252-A264 WeakPolarHBondContact CE2-O 3.49Å; Y252-A264 HydrophobicContact CG-CB 3.78Å; Y252-A265 HydrophobicContact CD2-CB 4.37Å; Y252-T268 WeakPolarHBondContact CE2-OG1 3.25Å; Y252-T268 VanDerWaalsContact CZ-OG1 3.3Å; Y252-T268 PolarHBondContact OH-OG1 3.15Å
253	R	92.6	Very high	93.7	Very high	136 Å²	136	65.5 Å²	65.5	51%	0.513	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.1	-174.8	65.7	-176.1	176.5	-87.5	4.3	114.7	L249 Y250 M255	L249-R253 PolarHBondContact O-N 2.84Å; Y250-R253 WeakPolarHBondContact O-CB 3.38Å; Y250-R253 WeakPolarHBondContact O-CG 3Å; Y250-R253 PolarHBondContact O-N 2.99Å; Y250-R253 PolarHBondContact O-NH1 3.09Å; R253-M255 VanDerWaalsContact C-N 3.33Å
254	T	91.8	Very high	93.7	Very high	130 Å²	130	63 Å²	63	80%	0.798	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-11	177.9	53.1	0	0	0	0	113.3	Y252 G256	Y252-T254 PolarHBondContact O-N 2.8Å; Y252-T254 VanDerWaalsContact O-N 3.08Å; T254-G256 PolarHBondContact O-N 3.49Å
255	M	92.1	Very high	93.9	Very high	16 Å²	16	62.3 Å²	62.3	8%	0.079	30%	0.296	C	S	.	.			trans	-75.8	103.1	-176.3	-171	177.7	-74.6	0	0	111.2	D68 Y252 R253 N257 R260 R261 A264 Q440	D68-M255 WeakPolarHBondContact OD2-CE 3.48Å; Y252-M255 HydrophobicContact CD1-CE 3.68Å; Y252-M255 HydrophobicContact CE1-CE 4.43Å; Y252-M255 HydrophobicContact CG-CE 4.22Å; Y252-M255 WeakPolarHBondContact O-CB 3.23Å; Y252-M255 PolarHBondContact O-N 2.97Å; R253-M255 VanDerWaalsContact C-N 3.33Å; M255-N257 VanDerWaalsContact C-N 3.31Å; M255-N257 PolarHBondContact O-N 2.7Å; M255-R260 HydrophobicContact CE-CG 4.45Å; M255-R260 HydrophobicContact SD-CB 3.97Å; M255-R260 HydrophobicContact SD-CG 3.56Å; M255-R260 VanDerWaalsContact SD-CG 3.56Å; M255-R261 HydrophobicContact CB-CB 4.19Å; M255-R261 HydrophobicContact CB-CG 4.24Å; M255-R261 HydrophobicContact CG-CB 4.29Å; M255-R261 PolarHBondContact O-NE 3.4Å; M255-R261 PolarHBondContact O-NH2 3.21Å; M255-R261 WeakPolarHBondContact SD-CA 3.45Å; M255-R261 HydrophobicContact SD-CB 4.02Å; M255-R261 PolarHBondContact SD-N 3.39Å; M255-R261 VanDerWaalsContact SD-N 3.35Å; M255-A264 HydrophobicContact CE-CB 4.04Å; M255-A264 HydrophobicContact SD-CB 4.25Å; M255-Q440 VanDerWaalsContact CE-NE2 3.33Å; M255-Q440 VanDerWaalsContact CG-CD 3.47Å; M255-Q440 PolarHBondContact SD-NE2 3.07Å
256	G	89.1	Confident	94.1	Very high	54 Å²	54	61.7 Å²	61.7	56%	0.557	29%	0.292	S	S	*	.	S	Bend	trans	-56.4	-39.2	-174.3	0	0	0	0	0	114.4	T254 V258	T254-G256 PolarHBondContact O-N 3.49Å; G256-V258 PolarHBondContact O-N 3.26Å
257	N	90.7	Very high	94.4	Very high	11 Å²	11	51.4 Å²	51.4	6%	0.059	25%	0.253	C	S	.	.			trans	-71.2	109.1	177.3	-175.9	-30	0	0	0	111.3	M255 A259 R260 R261 T441 L442	M255-N257 VanDerWaalsContact C-N 3.31Å; M255-N257 PolarHBondContact O-N 2.7Å; N257-A259 PolarHBondContact O-N 3.04Å; N257-A259 PolarHBondContact OD1-N 3.07Å; N257-R260 HydrophobicContact CB-CB 3.76Å; N257-R260 VanDerWaalsContact CG-CB 3.5Å; N257-R260 PolarHBondContact O-N 2.99Å; N257-R260 PolarHBondContact OD1-N 3.03Å; N257-R261 VanDerWaalsContact O-CB 3.3Å; N257-R261 WeakPolarHBondContact O-CB 3.44Å; N257-R261 PolarHBondContact O-N 2.91Å; N257-T441 PolarHBondContact ND2-O 3.48Å; N257-L442 HydrophobicContact CB-CD2 3.72Å
258	V	91.9	Very high	94.7	Very high	85 Å²	85	45.5 Å²	45.5	52%	0.515	23%	0.226	S	C	.	.	H	α-helix	trans	-63.9	-39.1	-177.2	178.5	0	0	0	0	112.8	G256 R261 K262	G256-V258 PolarHBondContact O-N 3.26Å; V258-R261 PolarHBondContact O-N 2.86Å; V258-K262 HydrophobicContact CG1-CD 4.46Å; V258-K262 WeakPolarHBondContact O-CG 3.21Å; V258-K262 PolarHBondContact O-N 3.45Å; V258-K262 VanDerWaalsContact O-N 3.08Å
259	A	93.1	Very high	94.8	Very high	21 Å²	21	44.9 Å²	44.9	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-50.2	178.3	0	0	0	0	0	110.5	L242 N257 R261 K262 Y263	L242-A259 HydrophobicContact CD1-CB 3.74Å; N257-A259 PolarHBondContact O-N 3.04Å; N257-A259 PolarHBondContact OD1-N 3.07Å; A259-R261 VanDerWaalsContact C-N 3.27Å; A259-R261 PolarHBondContact O-N 2.74Å; A259-K262 PolarHBondContact O-N 2.81Å; A259-Y263 VanDerWaalsContact O-CB 3.29Å; A259-Y263 WeakPolarHBondContact O-CB 3.38Å; A259-Y263 PolarHBondContact O-N 3.35Å
260	R	94.9	Very high	95.1	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-36.6	175.2	-174.3	59.9	179	-177.1	2.1	112.2	D61 D68 M255 N257 Y263 A264 G305	D61-R260 VanDerWaalsContact CG-NH1 3.34Å; D61-R260 IonicContact OD1-CZ 3.64Å; D61-R260 IonicContact OD1-NH1 3.52Å; D61-R260 PolarHBondContact OD1-NH1 2.9Å; D61-R260 IonicContact OD1-NH2 2.92Å; D61-R260 PolarHBondContact OD1-NH2 3.5Å; D61-R260 IonicContact OD2-NH1 2.72Å; D68-R260 IonicContact OD1-CZ 2.72Å; D68-R260 IonicContact OD1-NE 3.65Å; D68-R260 IonicContact OD1-NH2 3.76Å; D68-R260 PolarHBondContact OD1-NH2 3.4Å; D68-R260 IonicContact OD2-NE 3.96Å; M255-R260 HydrophobicContact CE-CG 4.45Å; M255-R260 HydrophobicContact SD-CB 3.97Å; M255-R260 HydrophobicContact SD-CG 3.56Å; M255-R260 VanDerWaalsContact SD-CG 3.56Å; N257-R260 HydrophobicContact CB-CB 3.76Å; N257-R260 VanDerWaalsContact CG-CB 3.5Å; N257-R260 PolarHBondContact O-N 2.99Å; N257-R260 PolarHBondContact OD1-N 3.03Å; R260-Y263 PolarHBondContact O-N 2.95Å; R260-A264 VanDerWaalsContact O-CB 3.25Å; R260-A264 WeakPolarHBondContact O-CB 3.36Å; R260-A264 PolarHBondContact O-N 3.35Å; R260-G305 WeakPolarHBondContact CD-O 3.44Å; R260-G305 PolarHBondContact NH1-O 2.93Å
261	R	95.4	Very high	95.4	Very high	70 Å²	70	35.6 Å²	35.6	26%	0.264	19%	0.185	S	C	.	.	H	α-helix	trans	-63.2	-48	176.6	-170.8	-172.7	-45	178.3	8.2	112.6	Y252 M255 N257 V258 A259 A264 A265	Y252-R261 WeakPolarHBondContact O-CD 3.39Å; Y252-R261 WeakPolarHBondContact O-CG 3.21Å; M255-R261 HydrophobicContact CB-CB 4.19Å; M255-R261 HydrophobicContact CB-CG 4.24Å; M255-R261 HydrophobicContact CG-CB 4.29Å; M255-R261 PolarHBondContact O-NE 3.4Å; M255-R261 PolarHBondContact O-NH2 3.21Å; M255-R261 WeakPolarHBondContact SD-CA 3.45Å; M255-R261 HydrophobicContact SD-CB 4.02Å; M255-R261 PolarHBondContact SD-N 3.39Å; M255-R261 VanDerWaalsContact SD-N 3.35Å; N257-R261 VanDerWaalsContact O-CB 3.3Å; N257-R261 WeakPolarHBondContact O-CB 3.44Å; N257-R261 PolarHBondContact O-N 2.91Å; V258-R261 PolarHBondContact O-N 2.86Å; A259-R261 VanDerWaalsContact C-N 3.27Å; A259-R261 PolarHBondContact O-N 2.74Å; R261-A264 PolarHBondContact O-N 2.81Å; R261-A265 PolarHBondContact O-N 2.93Å; R261-A265 VanDerWaalsContact O-N 3.15Å
262	K	96.5	Very high	95.6	Very high	86 Å²	86	32.3 Å²	32.3	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-45.7	175.8	-70.1	176	171.2	-168.3	0	110.4	L242 L249 V258 A259 A264 A265 M266	L242-K262 HydrophobicContact CB-CB 3.92Å; L242-K262 HydrophobicContact CB-CD 4.13Å; L249-K262 HydrophobicContact CD2-CB 4.45Å; L249-K262 HydrophobicContact CD2-CG 4.04Å; V258-K262 HydrophobicContact CG1-CD 4.46Å; V258-K262 WeakPolarHBondContact O-CG 3.21Å; V258-K262 PolarHBondContact O-N 3.45Å; V258-K262 VanDerWaalsContact O-N 3.08Å; A259-K262 PolarHBondContact O-N 2.81Å; K262-A264 PolarHBondContact O-N 2.82Å; K262-A265 WeakPolarHBondContact O-CB 3.47Å; K262-A265 PolarHBondContact O-N 3.2Å; K262-M266 VanDerWaalsContact O-CG 3.28Å; K262-M266 WeakPolarHBondContact O-CG 3.47Å; K262-M266 PolarHBondContact O-N 2.92Å
263	Y	97.9	Very high	95.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-47.6	175.7	-176.7	-86.9	0	0	0	112.6	D56 Q57 G58 D61 I69 V238 L242 A259 R260 A265 M266 V267 S304 G305	D56-Y263 PolarHBondContact O-OH 3.04Å; Q57-Y263 VanDerWaalsContact CA-OH 3.28Å; Q57-Y263 WeakPolarHBondContact CA-OH 3.13Å; G58-Y263 PolarHBondContact N-OH 3.31Å; D61-Y263 HydrophobicContact CB-CE1 4.07Å; D61-Y263 WeakPolarHBondContact OD2-CE1 3.39Å; D61-Y263 PolarHBondContact OD2-OH 3.34Å; I69-Y263 HydrophobicContact CD1-CD1 3.88Å; I69-Y263 HydrophobicContact CD1-CE1 3.95Å; V238-Y263 HydrophobicContact CB-CD2 4.24Å; V238-Y263 HydrophobicContact CB-CE2 3.84Å; V238-Y263 HydrophobicContact CG2-CD2 4.18Å; V238-Y263 HydrophobicContact CG2-CE1 4.16Å; V238-Y263 HydrophobicContact CG2-CE2 3.31Å; V238-Y263 VanDerWaalsContact CG2-OH 3.23Å; V238-Y263 WeakPolarHBondContact CG2-OH 3.22Å; L242-Y263 HydrophobicContact CD2-CD2 4.26Å; A259-Y263 VanDerWaalsContact O-CB 3.29Å; A259-Y263 WeakPolarHBondContact O-CB 3.38Å; A259-Y263 PolarHBondContact O-N 3.35Å; R260-Y263 PolarHBondContact O-N 2.95Å; Y263-A265 VanDerWaalsContact C-N 3.3Å; Y263-A265 PolarHBondContact O-N 3.31Å; Y263-M266 WeakPolarHBondContact O-CA 3.34Å; Y263-M266 WeakPolarHBondContact O-CB 3.4Å; Y263-M266 PolarHBondContact O-N 3.4Å; Y263-V267 HydrophobicContact CD1-CG2 3.91Å; Y263-V267 HydrophobicContact CE1-CG2 3.55Å; Y263-V267 WeakPolarHBondContact O-CG2 3.37Å; Y263-V267 PolarHBondContact O-N 2.85Å; Y263-S304 WeakPolarHBondContact CD2-O 3.4Å; Y263-G305 VanDerWaalsContact CD1-O 3.29Å; Y263-G305 WeakPolarHBondContact CD1-O 3.31Å
264	A	98.2	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-40.9	177	0	0	0	0	0	112.3	I69 Y252 M255 R260 R261 K262 V267 T268	I69-A264 HydrophobicContact CD1-CB 4.07Å; I69-A264 HydrophobicContact CG1-CB 3.75Å; I69-A264 HydrophobicContact CG2-CB 4.26Å; Y252-A264 HydrophobicContact CD1-CB 3.92Å; Y252-A264 HydrophobicContact CD2-CB 3.69Å; Y252-A264 HydrophobicContact CE1-CB 3.95Å; Y252-A264 VanDerWaalsContact CE2-C 3.47Å; Y252-A264 HydrophobicContact CE2-CB 3.73Å; Y252-A264 WeakPolarHBondContact CE2-O 3.49Å; Y252-A264 HydrophobicContact CG-CB 3.78Å; M255-A264 HydrophobicContact CE-CB 4.04Å; M255-A264 HydrophobicContact SD-CB 4.25Å; R260-A264 VanDerWaalsContact O-CB 3.25Å; R260-A264 WeakPolarHBondContact O-CB 3.36Å; R260-A264 PolarHBondContact O-N 3.35Å; R261-A264 PolarHBondContact O-N 2.81Å; K262-A264 PolarHBondContact O-N 2.82Å; A264-V267 PolarHBondContact O-N 2.99Å; A264-T268 WeakPolarHBondContact O-CB 3.27Å; A264-T268 PolarHBondContact O-N 3.32Å; A264-T268 PolarHBondContact O-OG1 3.13Å
265	A	98.3	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.2	-39.3	173.8	0	0	0	0	0	112.3	S244 L249 Y252 R261 K262 Y263 T268 C269	S244-A265 WeakPolarHBondContact OG-CB 3.46Å; L249-A265 HydrophobicContact CD2-CB 3.75Å; L249-A265 HydrophobicContact CG-CB 4.17Å; Y252-A265 HydrophobicContact CD2-CB 4.37Å; R261-A265 PolarHBondContact O-N 2.93Å; R261-A265 VanDerWaalsContact O-N 3.15Å; K262-A265 WeakPolarHBondContact O-CB 3.47Å; K262-A265 PolarHBondContact O-N 3.2Å; Y263-A265 VanDerWaalsContact C-N 3.3Å; Y263-A265 PolarHBondContact O-N 3.31Å; A265-T268 PolarHBondContact O-N 2.7Å; A265-C269 WeakPolarHBondContact O-CB 3.15Å; A265-C269 PolarHBondContact O-N 2.84Å
266	M	98.8	Very high	96.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-45.7	174.8	-60.4	166.3	70.9	0	0	111.8	Y177 V238 H239 L242 Q243 K262 Y263 T268 C269 M270	Y177-M266 HydrophobicContact CD2-CE 4.25Å; Y177-M266 HydrophobicContact CE1-CE 3.98Å; Y177-M266 HydrophobicContact CE2-CE 3.34Å; Y177-M266 WeakPolarHBondContact OH-CE 3.2Å; V238-M266 HydrophobicContact CB-CB 4.2Å; V238-M266 HydrophobicContact CG1-CB 3.7Å; H239-M266 WeakPolarHBondContact O-CE 3.45Å; L242-M266 HydrophobicContact CB-SD 4.28Å; L242-M266 HydrophobicContact CD2-SD 3.9Å; Q243-M266 VanDerWaalsContact O-CG 3.26Å; Q243-M266 WeakPolarHBondContact O-CG 3.38Å; K262-M266 VanDerWaalsContact O-CG 3.28Å; K262-M266 WeakPolarHBondContact O-CG 3.47Å; K262-M266 PolarHBondContact O-N 2.92Å; Y263-M266 WeakPolarHBondContact O-CA 3.34Å; Y263-M266 WeakPolarHBondContact O-CB 3.4Å; Y263-M266 PolarHBondContact O-N 3.4Å; M266-T268 VanDerWaalsContact C-N 3.3Å; M266-T268 PolarHBondContact O-N 3.22Å; M266-C269 PolarHBondContact O-N 3.46Å; M266-M270 WeakPolarHBondContact O-CB 3.41Å; M266-M270 PolarHBondContact O-N 3.3Å
267	V	98.8	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-40.9	177.3	175.4	0	0	0	0	110.6	I69 T71 V238 Y263 A264 M270 D271	I69-V267 HydrophobicContact CD1-CB 4.49Å; I69-V267 HydrophobicContact CD1-CG2 4.15Å; I69-V267 HydrophobicContact CG2-CB 3.72Å; I69-V267 HydrophobicContact CG2-CG1 3.6Å; I69-V267 HydrophobicContact CG2-CG2 4.48Å; T71-V267 HydrophobicContact CG2-CG1 3.5Å; V238-V267 HydrophobicContact CB-CG2 4.13Å; V238-V267 HydrophobicContact CG1-CB 4.22Å; V238-V267 HydrophobicContact CG1-CG2 3.61Å; V238-V267 HydrophobicContact CG2-CG2 3.87Å; Y263-V267 HydrophobicContact CD1-CG2 3.91Å; Y263-V267 HydrophobicContact CE1-CG2 3.55Å; Y263-V267 WeakPolarHBondContact O-CG2 3.37Å; Y263-V267 PolarHBondContact O-N 2.85Å; A264-V267 PolarHBondContact O-N 2.99Å; V267-M270 HydrophobicContact CG1-CE 4.34Å; V267-M270 WeakPolarHBondContact O-CB 3.45Å; V267-M270 PolarHBondContact O-N 2.99Å; V267-D271 PolarHBondContact O-N 3.21Å
268	T	98.6	Very high	97.6	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-66.4	-40.5	178.4	-52.3	0	0	0	0	112	Y248 Y252 A264 A265 M266 M270 D271 E272	Y248-T268 HydrophobicContact CD1-CG2 3.95Å; Y248-T268 HydrophobicContact CE1-CG2 4.45Å; Y252-T268 WeakPolarHBondContact CE2-OG1 3.25Å; Y252-T268 VanDerWaalsContact CZ-OG1 3.3Å; Y252-T268 PolarHBondContact OH-OG1 3.15Å; A264-T268 WeakPolarHBondContact O-CB 3.27Å; A264-T268 PolarHBondContact O-N 3.32Å; A264-T268 PolarHBondContact O-OG1 3.13Å; A265-T268 PolarHBondContact O-N 2.7Å; M266-T268 VanDerWaalsContact C-N 3.3Å; M266-T268 PolarHBondContact O-N 3.22Å; T268-M270 VanDerWaalsContact C-N 3.3Å; T268-M270 PolarHBondContact O-N 3.39Å; T268-D271 PolarHBondContact O-N 2.95Å; T268-E272 PolarHBondContact O-N 3.22Å; T268-E272 VanDerWaalsContact O-N 3.12Å
269	C	98.4	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.2	-39.7	174.2	-176.2	0	0	0	0	111.1	Y207 Y248 A265 M266 E272 A273	Y207-C269 HydrophobicContact CE1-CB 4.35Å; Y207-C269 VanDerWaalsContact CE1-SG 3.56Å; Y248-C269 HydrophobicContact CD1-CB 4.21Å; Y248-C269 HydrophobicContact CD2-CB 3.94Å; Y248-C269 HydrophobicContact CE1-CB 4.08Å; Y248-C269 HydrophobicContact CE2-CB 3.82Å; Y248-C269 HydrophobicContact CG-CB 4.15Å; A265-C269 WeakPolarHBondContact O-CB 3.15Å; A265-C269 PolarHBondContact O-N 2.84Å; M266-C269 PolarHBondContact O-N 3.46Å; C269-E272 WeakPolarHBondContact O-CB 3.42Å; C269-E272 PolarHBondContact O-N 2.79Å; C269-A273 PolarHBondContact O-N 3.42Å
270	M	98.8	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.1	-39	174.8	-178.2	-154.2	74.1	0	0	112.7	T54 L74 T209 F235 A237 V238 M266 V267 T268 E272 A273 V274 F294	T54-M270 HydrophobicContact CG2-CE 3.95Å; T54-M270 HydrophobicContact CG2-SD 3.25Å; T54-M270 WeakPolarHBondContact CG2-SD 3.44Å; L74-M270 HydrophobicContact CD1-CE 3.89Å; T209-M270 HydrophobicContact CG2-CB 4.07Å; F235-M270 HydrophobicContact CD2-CG 4.04Å; F235-M270 HydrophobicContact CE2-CG 4.33Å; F235-M270 HydrophobicContact CG-CG 4.36Å; A237-M270 HydrophobicContact CB-CB 3.87Å; A237-M270 HydrophobicContact CB-CG 3.93Å; A237-M270 HydrophobicContact CB-SD 4.11Å; V238-M270 HydrophobicContact CG1-SD 4.44Å; M266-M270 WeakPolarHBondContact O-CB 3.41Å; M266-M270 PolarHBondContact O-N 3.3Å; V267-M270 HydrophobicContact CG1-CE 4.34Å; V267-M270 WeakPolarHBondContact O-CB 3.45Å; V267-M270 PolarHBondContact O-N 2.99Å; T268-M270 VanDerWaalsContact C-N 3.3Å; T268-M270 PolarHBondContact O-N 3.39Å; M270-E272 VanDerWaalsContact C-N 3.26Å; M270-E272 PolarHBondContact O-N 2.85Å; M270-A273 WeakPolarHBondContact O-CB 3.38Å; M270-A273 PolarHBondContact O-N 3.38Å; M270-A273 VanDerWaalsContact O-N 3.14Å; M270-V274 WeakPolarHBondContact O-CG2 3.28Å; M270-V274 PolarHBondContact O-N 3.08Å; M270-F294 HydrophobicContact CE-CE2 4.32Å; M270-F294 HydrophobicContact CE-CZ 3.95Å
271	D	98.9	Very high	98.4	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-56.8	-42.9	171.7	-177.5	86.5	0	0	0	111.2	T71 P72 T73 L74 V267 T268 V274 R275	T71-D271 VanDerWaalsContact CA-OD1 3.28Å; T71-D271 WeakPolarHBondContact CA-OD1 3.46Å; P72-D271 WeakPolarHBondContact CD-OD2 3.4Å; T73-D271 WeakPolarHBondContact CA-OD1 3.42Å; T73-D271 VanDerWaalsContact CB-CG 3.46Å; T73-D271 VanDerWaalsContact CB-OD1 3.24Å; T73-D271 WeakPolarHBondContact CB-OD1 3.16Å; T73-D271 WeakPolarHBondContact CB-OD2 3.32Å; T73-D271 PolarHBondContact N-OD1 3.47Å; T73-D271 PolarHBondContact N-OD2 3.38Å; T73-D271 PolarHBondContact OG1-O 3.23Å; T73-D271 PolarHBondContact OG1-OD2 3.13Å; L74-D271 WeakPolarHBondContact CG-OD1 3.37Å; L74-D271 PolarHBondContact N-OD1 3.06Å; V267-D271 PolarHBondContact O-N 3.21Å; T268-D271 PolarHBondContact O-N 2.95Å; D271-V274 PolarHBondContact O-N 2.82Å; D271-R275 PolarHBondContact O-N 3.49Å
272	E	98.8	Very high	98.6	Very high	43 Å²	43	27.3 Å²	27.3	20%	0.201	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-39.5	174.1	172.9	162.5	-167.7	0	0	113	Y248 T268 C269 M270 V274 R275 N276	Y248-E272 WeakPolarHBondContact CE1-OE2 3.38Å; Y248-E272 VanDerWaalsContact OH-CD 3.22Å; Y248-E272 PolarHBondContact OH-OE2 2.97Å; T268-E272 PolarHBondContact O-N 3.22Å; T268-E272 VanDerWaalsContact O-N 3.12Å; C269-E272 WeakPolarHBondContact O-CB 3.42Å; C269-E272 PolarHBondContact O-N 2.79Å; M270-E272 VanDerWaalsContact C-N 3.26Å; M270-E272 PolarHBondContact O-N 2.85Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 3.2Å; E272-R275 VanDerWaalsContact CD-NH2 3.27Å; E272-R275 WeakPolarHBondContact O-CA 3.29Å; E272-R275 VanDerWaalsContact O-CB 3.25Å; E272-R275 WeakPolarHBondContact O-CB 3.11Å; E272-R275 PolarHBondContact O-N 3.31Å; E272-R275 VanDerWaalsContact O-N 3.13Å; E272-R275 IonicContact OE1-NH2 2.76Å; E272-R275 PolarHBondContact OE1-NH2 2.91Å; E272-N276 VanDerWaalsContact O-CG 3.3Å; E272-N276 PolarHBondContact O-N 2.86Å; E272-N276 PolarHBondContact O-OD1 3.29Å
273	A	98.9	Very high	98.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-43.1	172.9	0	0	0	0	0	111.7	T209 M210 A213 F235 C269 M270 R275 N276 I277	T209-A273 HydrophobicContact CG2-CB 3.82Å; M210-A273 HydrophobicContact SD-CB 4.41Å; A213-A273 HydrophobicContact CB-CB 3.73Å; F235-A273 HydrophobicContact CE1-CB 4.05Å; F235-A273 HydrophobicContact CZ-CB 3.8Å; C269-A273 PolarHBondContact O-N 3.42Å; M270-A273 WeakPolarHBondContact O-CB 3.38Å; M270-A273 PolarHBondContact O-N 3.38Å; M270-A273 VanDerWaalsContact O-N 3.14Å; A273-R275 VanDerWaalsContact C-N 3.32Å; A273-R275 PolarHBondContact O-N 2.81Å; A273-N276 PolarHBondContact O-N 3.08Å; A273-I277 WeakPolarHBondContact O-CG1 3.34Å; A273-I277 PolarHBondContact O-N 2.87Å; A273-I277 VanDerWaalsContact O-N 3.08Å
274	V	98.9	Very high	98.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-37.9	173.7	175.1	0	0	0	0	111.1	I52 T73 L74 L77 F235 M270 D271 E272 N276 I277 T278 F294	I52-V274 HydrophobicContact CD1-CG1 4.03Å; I52-V274 HydrophobicContact CD1-CG2 4.19Å; I52-V274 HydrophobicContact CG2-CG2 4.18Å; T73-V274 HydrophobicContact CG2-CG1 4.25Å; L74-V274 HydrophobicContact CD2-CB 4.3Å; L74-V274 HydrophobicContact CD2-CG1 4.01Å; L74-V274 HydrophobicContact CD2-CG2 4.19Å; L77-V274 HydrophobicContact CD1-CG1 3.81Å; F235-V274 HydrophobicContact CE2-CG2 4.02Å; M270-V274 WeakPolarHBondContact O-CG2 3.28Å; M270-V274 PolarHBondContact O-N 3.08Å; D271-V274 PolarHBondContact O-N 2.82Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 3.2Å; V274-N276 VanDerWaalsContact C-N 3.32Å; V274-N276 PolarHBondContact O-N 3.29Å; V274-I277 PolarHBondContact O-N 3.38Å; V274-T278 HydrophobicContact CG1-CG2 4.32Å; V274-T278 WeakPolarHBondContact O-CG2 3.26Å; V274-T278 PolarHBondContact O-N 3.5Å; V274-T278 PolarHBondContact O-OG1 2.8Å; V274-F294 HydrophobicContact CG2-CE2 4.29Å
275	R	98.9	Very high	98.7	Very high	118 Å²	118	37.3 Å²	37.3	45%	0.445	17%	0.168	S	C	.	.	H	α-helix	trans	-59.1	-44.3	173.2	-171.1	-176	64.4	-179.6	-3	111.5	T73 D271 E272 A273 T278 W279	T73-R275 HydrophobicContact CG2-CB 3.84Å; T73-R275 HydrophobicContact CG2-CG 4.39Å; D271-R275 PolarHBondContact O-N 3.49Å; E272-R275 VanDerWaalsContact CD-NH2 3.27Å; E272-R275 WeakPolarHBondContact O-CA 3.29Å; E272-R275 VanDerWaalsContact O-CB 3.25Å; E272-R275 WeakPolarHBondContact O-CB 3.11Å; E272-R275 PolarHBondContact O-N 3.31Å; E272-R275 VanDerWaalsContact O-N 3.13Å; E272-R275 IonicContact OE1-NH2 2.76Å; E272-R275 PolarHBondContact OE1-NH2 2.91Å; A273-R275 VanDerWaalsContact C-N 3.32Å; A273-R275 PolarHBondContact O-N 2.81Å; R275-T278 WeakPolarHBondContact CA-OG1 3.36Å; R275-T278 PolarHBondContact O-N 2.89Å; R275-T278 PolarHBondContact O-OG1 2.79Å; R275-W279 WeakPolarHBondContact O-CB 3.24Å; R275-W279 PolarHBondContact O-N 2.91Å
276	N	98.9	Very high	98.7	Very high	37 Å²	37	37.3 Å²	37.3	20%	0.198	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-43.6	-179.5	-66.2	-13.8	0	0	0	111.4	E272 A273 V274 W279 A280	E272-N276 VanDerWaalsContact O-CG 3.3Å; E272-N276 PolarHBondContact O-N 2.86Å; E272-N276 PolarHBondContact O-OD1 3.29Å; A273-N276 PolarHBondContact O-N 3.08Å; V274-N276 VanDerWaalsContact C-N 3.32Å; V274-N276 PolarHBondContact O-N 3.29Å; N276-W279 PolarHBondContact O-N 3.13Å; N276-A280 WeakPolarHBondContact O-CB 3.48Å; N276-A280 PolarHBondContact O-N 2.79Å
277	I	98.9	Very high	98.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-48.5	175.6	-65	164.4	0	0	0	110.7	I50 A213 A216 V233 F235 A273 V274 W279 A280 L281	I50-I277 HydrophobicContact CG2-CG2 4.5Å; A213-I277 HydrophobicContact CB-CD1 4.42Å; A213-I277 HydrophobicContact CB-CG1 4.33Å; A216-I277 HydrophobicContact CB-CD1 4.12Å; A216-I277 HydrophobicContact CB-CG1 3.9Å; V233-I277 HydrophobicContact CG1-CD1 4.04Å; V233-I277 HydrophobicContact CG2-CD1 4.25Å; F235-I277 HydrophobicContact CE2-CD1 4.41Å; F235-I277 HydrophobicContact CZ-CD1 3.85Å; A273-I277 WeakPolarHBondContact O-CG1 3.34Å; A273-I277 PolarHBondContact O-N 2.87Å; A273-I277 VanDerWaalsContact O-N 3.08Å; V274-I277 PolarHBondContact O-N 3.38Å; I277-W279 VanDerWaalsContact C-N 3.28Å; I277-W279 PolarHBondContact O-N 2.57Å; I277-A280 WeakPolarHBondContact O-CB 3.29Å; I277-A280 PolarHBondContact O-N 3.46Å; I277-L281 WeakPolarHBondContact O-CG 3.48Å; I277-L281 PolarHBondContact O-N 3.49Å
278	T	98.8	Very high	98.7	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-28.9	179.9	55.3	0	0	0	0	113.3	L77 V274 R275 K282 I292	L77-T278 HydrophobicContact CD1-CG2 3.93Å; L77-T278 HydrophobicContact CD2-CG2 4.24Å; V274-T278 HydrophobicContact CG1-CG2 4.32Å; V274-T278 WeakPolarHBondContact O-CG2 3.26Å; V274-T278 PolarHBondContact O-N 3.5Å; V274-T278 PolarHBondContact O-OG1 2.8Å; R275-T278 WeakPolarHBondContact CA-OG1 3.36Å; R275-T278 PolarHBondContact O-N 2.89Å; R275-T278 PolarHBondContact O-OG1 2.79Å; T278-K282 PolarHBondContact O-N 3.41Å; T278-I292 HydrophobicContact CG2-CD1 4.09Å
279	W	98.8	Very high	98.6	Very high	164 Å²	164	47 Å²	47	62%	0.621	22%	0.217	S	C	*	.	H	α-helix	trans	-70.8	-42.9	170.8	-174.8	26.1	0	0	0	111.8	R275 N276 I277 L281 K282 R283	R275-W279 WeakPolarHBondContact O-CB 3.24Å; R275-W279 PolarHBondContact O-N 2.91Å; N276-W279 PolarHBondContact O-N 3.13Å; I277-W279 VanDerWaalsContact C-N 3.28Å; I277-W279 PolarHBondContact O-N 2.57Å; W279-L281 VanDerWaalsContact C-N 3.31Å; W279-L281 PolarHBondContact O-N 3.33Å; W279-K282 WeakPolarHBondContact O-CB 3.3Å; W279-K282 PolarHBondContact O-N 3.5Å; W279-K282 VanDerWaalsContact O-N 3.08Å; W279-R283 WeakPolarHBondContact O-CB 3.47Å; W279-R283 PolarHBondContact O-N 2.9Å
280	A	98.9	Very high	98.6	Very high	6 Å²	6	47 Å²	47	5%	0.05	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-42.6	174.1	0	0	0	0	0	111.7	L220 N276 I277 K282 R283 Y284	L220-A280 HydrophobicContact CB-CB 4.49Å; L220-A280 HydrophobicContact CD1-CB 3.8Å; N276-A280 WeakPolarHBondContact O-CB 3.48Å; N276-A280 PolarHBondContact O-N 2.79Å; I277-A280 WeakPolarHBondContact O-CB 3.29Å; I277-A280 PolarHBondContact O-N 3.46Å; A280-K282 VanDerWaalsContact C-N 3.26Å; A280-K282 PolarHBondContact O-N 3.1Å; A280-R283 PolarHBondContact O-N 3.21Å; A280-Y284 HydrophobicContact CB-CD2 4.18Å; A280-Y284 HydrophobicContact CB-CE2 4.21Å; A280-Y284 VanDerWaalsContact O-CD2 3.23Å; A280-Y284 WeakPolarHBondContact O-CD2 3.25Å; A280-Y284 PolarHBondContact O-N 3.08Å
281	L	98.8	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56	-40.3	174	-70.4	171.6	0	0	0	112.2	I50 L220 I277 W279 G285 F286 Y287 I292	I50-L281 HydrophobicContact CD1-CD2 3.91Å; I50-L281 HydrophobicContact CG1-CD1 4.01Å; I50-L281 HydrophobicContact CG1-CD2 4.01Å; L220-L281 HydrophobicContact CD1-CD2 3.66Å; L220-L281 HydrophobicContact CD1-CG 3.86Å; L220-L281 HydrophobicContact CD2-CD2 3.61Å; L220-L281 HydrophobicContact CG-CD2 4.29Å; I277-L281 WeakPolarHBondContact O-CG 3.48Å; I277-L281 PolarHBondContact O-N 3.49Å; W279-L281 VanDerWaalsContact C-N 3.31Å; W279-L281 PolarHBondContact O-N 3.33Å; L281-G285 PolarHBondContact O-N 2.81Å; L281-F286 HydrophobicContact CB-CB 4.31Å; L281-F286 HydrophobicContact CD2-CB 3.59Å; L281-F286 HydrophobicContact CD2-CG 4.25Å; L281-F286 PolarHBondContact O-N 2.96Å; L281-Y287 HydrophobicContact CB-CD2 4.37Å; L281-Y287 PolarHBondContact O-N 3.05Å; L281-I292 HydrophobicContact CD1-CD1 3.59Å; L281-I292 HydrophobicContact CD1-CG1 4.11Å
282	K	98.7	Very high	98.7	Very high	96 Å²	96	46.9 Å²	46.9	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-72.7	-47.7	177.4	-71	174.7	-178.6	176.9	0	111.7	T278 W279 A280 Y284 G285 Y287	T278-K282 PolarHBondContact O-N 3.41Å; W279-K282 WeakPolarHBondContact O-CB 3.3Å; W279-K282 PolarHBondContact O-N 3.5Å; W279-K282 VanDerWaalsContact O-N 3.08Å; A280-K282 VanDerWaalsContact C-N 3.26Å; A280-K282 PolarHBondContact O-N 3.1Å; K282-Y284 VanDerWaalsContact C-N 3.27Å; K282-Y284 PolarHBondContact O-N 3.17Å; K282-G285 PolarHBondContact O-N 3.12Å; K282-Y287 HydrophobicContact CD-CD2 4.41Å; K282-Y287 HydrophobicContact CD-CG 4.41Å; K282-Y287 VanDerWaalsContact CE-CE2 3.47Å; K282-Y287 VanDerWaalsContact CE-CZ 3.42Å; K282-Y287 HydrophobicContact CG-CD1 3.98Å; K282-Y287 HydrophobicContact CG-CD2 3.73Å; K282-Y287 HydrophobicContact CG-CE2 4.36Å; K282-Y287 HydrophobicContact CG-CG 3.5Å
283	R	98.6	Very high	98.7	Very high	166 Å²	166	44.8 Å²	44.8	63%	0.626	21%	0.207	S	C	*	.	H	α-helix	trans	-58.2	-40.8	-177.2	179.5	176.4	177.9	166.5	-1.1	111.8	W279 A280	W279-R283 WeakPolarHBondContact O-CB 3.47Å; W279-R283 PolarHBondContact O-N 2.9Å; A280-R283 PolarHBondContact O-N 3.21Å
284	Y	98.6	Very high	98.7	Very high	80 Å²	80	44.9 Å²	44.9	31%	0.314	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	11.8	-176.7	-55.7	-58.9	0	0	0	113.5	L220 A221 P225 A280 K282 F286	L220-Y284 HydrophobicContact CB-CD2 4.09Å; A221-Y284 HydrophobicContact CB-CD2 4.18Å; A221-Y284 HydrophobicContact CB-CE1 4.01Å; A221-Y284 HydrophobicContact CB-CE2 3.57Å; A221-Y284 VanDerWaalsContact CB-CZ 3.47Å; P225-Y284 WeakPolarHBondContact CG-O 3.42Å; A280-Y284 HydrophobicContact CB-CD2 4.18Å; A280-Y284 HydrophobicContact CB-CE2 4.21Å; A280-Y284 VanDerWaalsContact O-CD2 3.23Å; A280-Y284 WeakPolarHBondContact O-CD2 3.25Å; A280-Y284 PolarHBondContact O-N 3.08Å; K282-Y284 VanDerWaalsContact C-N 3.27Å; K282-Y284 PolarHBondContact O-N 3.17Å; Y284-F286 WeakPolarHBondContact O-CD2 3.49Å
285	G	97.8	Very high	98.7	Very high	52 Å²	52	44.9 Å²	44.9	54%	0.536	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	8.6	168.9	0	0	0	0	0	117	L281 K282	L281-G285 PolarHBondContact O-N 2.81Å; K282-G285 PolarHBondContact O-N 3.12Å
286	F	98.4	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.			trans	-79.5	-30.1	178.6	-65.9	-85.6	0	0	0	113.9	H48 L220 H223 P225 L229 L281 Y284 N288 N289 S290	H48-F286 AromaticContact CD2-CD1 3.68Å; H48-F286 AromaticContact CE1-CD1 3.57Å; H48-F286 AromaticContact CE1-CE1 3.78Å; H48-F286 AromaticContact CG-CD1 3.82Å; H48-F286 AromaticContact ND1-CD1 3.75Å; H48-F286 AromaticContact NE2-CD1 3.5Å; L220-F286 HydrophobicContact CB-CD2 4.43Å; L220-F286 HydrophobicContact CB-CE2 4.24Å; L220-F286 HydrophobicContact CD2-CD1 4.36Å; L220-F286 HydrophobicContact CD2-CD2 3.92Å; L220-F286 HydrophobicContact CD2-CE2 4.11Å; L220-F286 HydrophobicContact CD2-CG 4.05Å; L220-F286 HydrophobicContact CD2-CZ 4.4Å; L220-F286 WeakPolarHBondContact O-CE2 3.16Å; H223-F286 HydrophobicContact CB-CZ 4.37Å; H223-F286 AromaticContact CD2-CE1 3.81Å; H223-F286 WeakPolarHBondContact O-CZ 3.24Å; P225-F286 VanDerWaalsContact CA-CE1 3.45Å; P225-F286 HydrophobicContact CB-CD1 4.28Å; P225-F286 HydrophobicContact CB-CE1 4Å; P225-F286 HydrophobicContact CB-CZ 4.14Å; P225-F286 HydrophobicContact CG-CD2 4.37Å; P225-F286 HydrophobicContact CG-CE1 4.09Å; P225-F286 HydrophobicContact CG-CE2 3.84Å; P225-F286 HydrophobicContact CG-CZ 3.7Å; L229-F286 HydrophobicContact CD2-CD1 3.49Å; L229-F286 VanDerWaalsContact CD2-CD1 3.49Å; L229-F286 HydrophobicContact CD2-CE1 3.3Å; L229-F286 HydrophobicContact CD2-CG 4.42Å; L229-F286 HydrophobicContact CD2-CZ 4.1Å; L281-F286 HydrophobicContact CB-CB 4.31Å; L281-F286 HydrophobicContact CD2-CB 3.59Å; L281-F286 HydrophobicContact CD2-CG 4.25Å; L281-F286 PolarHBondContact O-N 2.96Å; Y284-F286 WeakPolarHBondContact O-CD2 3.49Å; F286-N288 VanDerWaalsContact C-N 3.32Å; F286-N288 PolarHBondContact O-N 3.24Å; F286-N289 CarbonylContact O-C 3.57Å; F286-N289 PolarHBondContact O-N 3.08Å; F286-N289 VanDerWaalsContact O-N 3.15Å; F286-S290 PolarHBondContact O-N 3.41Å; F286-S290 PolarHBondContact O-OG 3.13Å
287	Y	98.5	Very high	98.6	Very high	39 Å²	39	37.5 Å²	37.5	15%	0.153	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-57.5	-39.3	-162.9	-176.9	-98.4	0	0	0	114.2	L281 K282 N289 S290 I292 H330 P332	L281-Y287 HydrophobicContact CB-CD2 4.37Å; L281-Y287 PolarHBondContact O-N 3.05Å; K282-Y287 HydrophobicContact CD-CD2 4.41Å; K282-Y287 HydrophobicContact CD-CG 4.41Å; K282-Y287 VanDerWaalsContact CE-CE2 3.47Å; K282-Y287 VanDerWaalsContact CE-CZ 3.42Å; K282-Y287 HydrophobicContact CG-CD1 3.98Å; K282-Y287 HydrophobicContact CG-CD2 3.73Å; K282-Y287 HydrophobicContact CG-CE2 4.36Å; K282-Y287 HydrophobicContact CG-CG 3.5Å; Y287-N289 VanDerWaalsContact C-N 3.26Å; Y287-N289 PolarHBondContact O-N 3.2Å; Y287-S290 PolarHBondContact O-N 3.11Å; Y287-I292 HydrophobicContact CD2-CD1 4.35Å; Y287-I292 HydrophobicContact CE2-CD1 4.23Å; Y287-H330 AromaticContact CE2-NE2 3.88Å; Y287-H330 AromaticContact CZ-NE2 3.48Å; Y287-H330 PolarHBondContact OH-NE2 3.14Å; Y287-P332 HydrophobicContact CD1-CG 4.19Å; Y287-P332 HydrophobicContact CE1-CG 4.03Å; Y287-P332 WeakPolarHBondContact O-CG 3.29Å
288	N	97.9	Very high	98.6	Very high	125 Å²	125	37.5 Å²	37.5	67%	0.668	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-67.5	-25.6	-175.5	-72.3	-15.6	0	0	0	113.5	F286	F286-N288 VanDerWaalsContact C-N 3.32Å; F286-N288 PolarHBondContact O-N 3.24Å
289	N	98.2	Very high	98.6	Very high	42 Å²	42	37 Å²	37	23%	0.225	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-115.2	26.5	178.1	-163.8	34.9	0	0	0	112.2	Q45 P46 P47 H48 F286 Y287	Q45-N289 PolarHBondContact O-ND2 3.15Å; P46-N289 PolarHBondContact O-ND2 2.87Å; P47-N289 CarbonylContact C-O 3.46Å; P47-N289 VanDerWaalsContact CA-O 3.25Å; P47-N289 WeakPolarHBondContact CA-O 3.44Å; P47-N289 WeakPolarHBondContact CB-O 3.49Å; H48-N289 PolarHBondContact N-O 2.83Å; F286-N289 CarbonylContact O-C 3.57Å; F286-N289 PolarHBondContact O-N 3.08Å; F286-N289 VanDerWaalsContact O-N 3.15Å; Y287-N289 VanDerWaalsContact C-N 3.26Å; Y287-N289 PolarHBondContact O-N 3.2Å
290	S	98.6	Very high	98.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.5	180	-66.5	0	0	0	0	112.4	H48 F286 Y287 S331	H48-S290 CarbonylContact O-C 3.5Å; H48-S290 WeakPolarHBondContact O-CA 3.22Å; F286-S290 PolarHBondContact O-N 3.41Å; F286-S290 PolarHBondContact O-OG 3.13Å; Y287-S290 PolarHBondContact O-N 3.11Å; S290-S331 VanDerWaalsContact O-CB 3.27Å; S290-S331 WeakPolarHBondContact O-CB 3.4Å; S290-S331 PolarHBondContact O-OG 3.13Å
291	V	98.9	Very high	98.4	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.1	161.4	-176.1	0	0	0	0	108.1	P47 H48 I50 I293 V329 L333 L357 W374	P47-V291 HydrophobicContact CB-CG2 4.04Å; P47-V291 HydrophobicContact CG-CG2 4.25Å; H48-V291 PolarHBondContact O-N 3.46Å; I50-V291 PolarHBondContact N-O 2.96Å; V291-I293 HydrophobicContact CB-CD1 4.45Å; V291-I293 HydrophobicContact CG1-CD1 3.76Å; V291-I293 HydrophobicContact CG1-CG1 4.22Å; V291-V329 HydrophobicContact CG1-CG1 3.98Å; V291-L333 HydrophobicContact CG2-CD1 4.2Å; V291-L357 HydrophobicContact CG2-CD1 4.36Å; V291-W374 HydrophobicContact CG1-CH2 4.04Å; V291-W374 HydrophobicContact CG1-CZ3 3.85Å; V291-W374 HydrophobicContact CG2-CH2 3.91Å; V291-W374 HydrophobicContact CG2-CZ3 4.41Å
292	I	98.9	Very high	98	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116	179.5	-50.2	176.3	0	0	0	108.1	I50 I52 T278 L281 Y287 H330	I50-I292 HydrophobicContact CB-CG1 4.32Å; I50-I292 HydrophobicContact CB-CG2 4.47Å; I50-I292 HydrophobicContact CG1-CG1 4.43Å; I50-I292 CarbonylContact O-C 3.52Å; I50-I292 WeakPolarHBondContact O-CA 3.37Å; I52-I292 HydrophobicContact CD1-CG2 4.25Å; T278-I292 HydrophobicContact CG2-CD1 4.09Å; L281-I292 HydrophobicContact CD1-CD1 3.59Å; L281-I292 HydrophobicContact CD1-CG1 4.11Å; Y287-I292 HydrophobicContact CD2-CD1 4.35Å; Y287-I292 HydrophobicContact CE2-CD1 4.23Å; I292-H330 WeakPolarHBondContact CA-O 3.45Å; I292-H330 HydrophobicContact CB-CB 4.4Å; I292-H330 WeakPolarHBondContact CB-O 3.36Å; I292-H330 PolarHBondContact N-O 3.38Å; I292-H330 PolarHBondContact O-N 2.88Å
293	I	98.9	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.2	177	-54.7	93.9	0	0	0	108	I49 I50 F51 I52 V291 V329 W350 L354	I49-I293 HydrophobicContact CG2-CD1 4.13Å; I50-I293 PolarHBondContact O-N 3.26Å; F51-I293 HydrophobicContact CD2-CB 3.95Å; F51-I293 HydrophobicContact CD2-CD1 4.33Å; F51-I293 HydrophobicContact CD2-CG1 4.41Å; F51-I293 HydrophobicContact CD2-CG2 4.03Å; F51-I293 HydrophobicContact CE2-CB 4.15Å; F51-I293 HydrophobicContact CE2-CG2 3.69Å; F51-I293 HydrophobicContact CG-CB 4.36Å; F51-I293 HydrophobicContact CZ-CG2 3.99Å; I52-I293 PolarHBondContact N-O 3.15Å; V291-I293 HydrophobicContact CB-CD1 4.45Å; V291-I293 HydrophobicContact CG1-CD1 3.76Å; V291-I293 HydrophobicContact CG1-CG1 4.22Å; I293-V329 HydrophobicContact CG1-CG2 4.41Å; I293-W350 HydrophobicContact CG1-CE3 4.43Å; I293-W350 HydrophobicContact CG1-CH2 4.24Å; I293-W350 HydrophobicContact CG1-CZ3 4Å; I293-W350 HydrophobicContact CG2-CD2 4.42Å; I293-W350 HydrophobicContact CG2-CE3 4.49Å; I293-W350 HydrophobicContact CG2-CH2 3.71Å; I293-W350 HydrophobicContact CG2-CZ2 3.57Å; I293-W350 HydrophobicContact CG2-CZ3 4.17Å; I293-L354 HydrophobicContact CD1-CD2 4.02Å
294	F	98.9	Very high	97.2	Very high	1 Å²	1	25 Å²	25	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.4	170.3	-173.4	-87.5	0	0	0	109	I52 T54 Q57 L74 M270 V274 L326 G327 F328	I52-F294 HydrophobicContact CB-CD2 4.02Å; I52-F294 HydrophobicContact CG2-CD2 3.73Å; I52-F294 HydrophobicContact CG2-CE2 3.94Å; I52-F294 WeakPolarHBondContact O-CA 3.42Å; T54-F294 HydrophobicContact CG2-CE1 4.19Å; T54-F294 HydrophobicContact CG2-CE2 3.54Å; T54-F294 HydrophobicContact CG2-CZ 3.34Å; Q57-F294 VanDerWaalsContact OE1-CZ 3.27Å; L74-F294 HydrophobicContact CD1-CE1 4.05Å; L74-F294 HydrophobicContact CD1-CE2 4.03Å; L74-F294 HydrophobicContact CD1-CZ 3.52Å; L74-F294 HydrophobicContact CD2-CD2 3.69Å; L74-F294 HydrophobicContact CD2-CE1 4.4Å; L74-F294 HydrophobicContact CD2-CE2 3.4Å; L74-F294 VanDerWaalsContact CD2-CE2 3.4Å; L74-F294 HydrophobicContact CD2-CG 4.29Å; L74-F294 HydrophobicContact CD2-CZ 3.77Å; L74-F294 HydrophobicContact CG-CE2 4.38Å; L74-F294 HydrophobicContact CG-CZ 4.3Å; M270-F294 HydrophobicContact CE-CE2 4.32Å; M270-F294 HydrophobicContact CE-CZ 3.95Å; V274-F294 HydrophobicContact CG2-CE2 4.29Å; F294-L326 HydrophobicContact CE1-CD2 3.94Å; F294-L326 HydrophobicContact CE1-CG 4.3Å; F294-G327 CarbonylContact O-C 3.56Å; F294-G327 WeakPolarHBondContact O-CA 3.44Å; F294-F328 HydrophobicContact CB-CD1 3.94Å; F294-F328 HydrophobicContact CB-CD2 4.1Å; F294-F328 HydrophobicContact CB-CE1 3.53Å; F294-F328 HydrophobicContact CB-CE2 3.68Å; F294-F328 HydrophobicContact CB-CG 4.22Å; F294-F328 HydrophobicContact CB-CZ 3.38Å; F294-F328 HydrophobicContact CD1-CD1 4.09Å; F294-F328 AromaticContact CD1-CE1 3.62Å; F294-F328 HydrophobicContact CD1-CE1 3.62Å; F294-F328 HydrophobicContact CD1-CZ 4.24Å; F294-F328 HydrophobicContact CD2-CE1 4.4Å; F294-F328 HydrophobicContact CD2-CZ 4.27Å; F294-F328 HydrophobicContact CE1-CE1 4.42Å; F294-F328 HydrophobicContact CG-CD1 4.28Å; F294-F328 AromaticContact CG-CE1 3.6Å; F294-F328 HydrophobicContact CG-CE1 3.6Å; F294-F328 HydrophobicContact CG-CE2 4.5Å; F294-F328 AromaticContact CG-CZ 3.73Å; F294-F328 HydrophobicContact CG-CZ 3.73Å; F294-F328 PolarHBondContact N-O 2.9Å; F294-F328 PolarHBondContact O-N 3.33Å
295	S	98.9	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	148.7	178.3	-175	0	0	0	0	110.2	I52 L53 T54 Y87 L326	I52-S295 PolarHBondContact O-N 3.1Å; L53-S295 CarbonylContact C-O 3.59Å; L53-S295 VanDerWaalsContact CA-O 3.3Å; L53-S295 WeakPolarHBondContact CA-O 3.49Å; T54-S295 PolarHBondContact N-O 3.23Å; Y87-S295 VanDerWaalsContact CE1-OG 3.29Å; Y87-S295 WeakPolarHBondContact CE1-OG 3.49Å; Y87-S295 PolarHBondContact OH-OG 3.04Å; S295-L326 CarbonylContact C-O 3.54Å; S295-L326 VanDerWaalsContact CA-O 3.29Å; S295-L326 WeakPolarHBondContact CA-O 3.27Å
296	S	98.7	Very high	96.9	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	158.5	155.5	65.7	0	0	0	0	110.6	T54 Q57 I89 N298 L326	T54-S296 CarbonylContact O-C 3.48Å; T54-S296 WeakPolarHBondContact OG1-CA 3.39Å; Q57-S296 WeakPolarHBondContact O-CB 3.44Å; I89-S296 VanDerWaalsContact CD1-OG 3.31Å; I89-S296 WeakPolarHBondContact CD1-OG 3.36Å; S296-N298 PolarHBondContact OG-O 3.45Å; S296-L326 PolarHBondContact N-O 2.5Å; S296-L326 PolarHBondContact OG-N 3.31Å
297	D	98.5	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-88.7	-27.4	174.1	77.3	-22.1	0	0	0	113.2	L53 T54 D55 D56 C93 S96 R97	L53-D297 HydrophobicContact CD1-CB 3.97Å; L53-D297 HydrophobicContact CD2-CB 3.89Å; L53-D297 HydrophobicContact CG-CB 3.99Å; T54-D297 PolarHBondContact O-N 2.83Å; D55-D297 WeakPolarHBondContact CA-OD1 3.45Å; D56-D297 PolarHBondContact N-OD1 2.86Å; C93-D297 WeakPolarHBondContact CA-OD2 3.21Å; C93-D297 WeakPolarHBondContact CB-OD2 3.42Å; S96-D297 WeakPolarHBondContact CB-O 3.45Å; S96-D297 PolarHBondContact OG-O 3.22Å; R97-D297 IonicContact CZ-OD2 2.64Å; R97-D297 IonicContact NE-OD2 3.73Å; R97-D297 PolarHBondContact NE-OD2 3.46Å; R97-D297 VanDerWaalsContact NE-OD2 3.09Å; R97-D297 IonicContact NH2-OD2 2.72Å; R97-D297 PolarHBondContact NH2-OD2 2.89Å
298	N	98.8	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-150.9	177.8	168	46.9	-118	0	0	0	110.7	D56 I89 Q90 P91 I92 C93 S296	D56-N298 PolarHBondContact OD1-ND2 2.78Å; I89-N298 VanDerWaalsContact CD1-C 3.48Å; Q90-N298 WeakPolarHBondContact O-CA 3.48Å; Q90-N298 VanDerWaalsContact O-CB 3.28Å; Q90-N298 WeakPolarHBondContact O-CB 3.43Å; P91-N298 WeakPolarHBondContact O-CB 3.34Å; I92-N298 WeakPolarHBondContact CA-OD1 3.47Å; C93-N298 PolarHBondContact N-OD1 3.01Å; C93-N298 PolarHBondContact SG-OD1 3.08Å; S296-N298 PolarHBondContact OG-O 3.45Å
299	G	98.3	Very high	96.7	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.01	7%	0.074	C	C	.	.			trans	-62.5	162	167.6	0	0	0	0	0	112.8	K315 G321 G322	G299-K315 WeakPolarHBondContact O-CB 3.48Å; G299-G321 WeakPolarHBondContact CA-O 3.13Å; G299-G322 PolarHBondContact N-O 3.49Å
300	G	97.5	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.			trans	-71.7	147.3	-175.3	0	0	0	0	0	113.2	D56 N308 R314 K315	D56-G300 WeakPolarHBondContact O-CA 3.01Å; G300-N308 PolarHBondContact N-ND2 3.15Å; G300-N308 PolarHBondContact N-OD1 2.97Å; G300-N308 PolarHBondContact O-ND2 2.85Å; G300-R314 WeakPolarHBondContact O-CB 3.23Å; G300-K315 PolarHBondContact O-N 2.9Å; G300-K315 VanDerWaalsContact O-N 3.15Å
301	Q	94.9	Very high	96.5	Very high	37 Å²	37	14.5 Å²	14.5	17%	0.173	7%	0.073	C	C	.	.			trans	-88.3	105.2	171.7	177.4	52.3	-96.2	0	0	110.4	F303 S304 G305 G306 K315	Q301-F303 VanDerWaalsContact C-N 3.32Å; Q301-F303 PolarHBondContact O-N 3.3Å; Q301-S304 WeakPolarHBondContact CG-OG 3.25Å; Q301-S304 CarbonylContact O-C 3.42Å; Q301-S304 WeakPolarHBondContact O-CA 3.39Å; Q301-S304 PolarHBondContact O-N 2.85Å; Q301-G305 PolarHBondContact O-N 3.33Å; Q301-G306 PolarHBondContact O-N 2.91Å; Q301-K315 HydrophobicContact CB-CB 4.19Å; Q301-K315 HydrophobicContact CB-CD 4.14Å
302	T	91.9	Very high	96.4	Very high	17 Å²	17	14.9 Å²	14.9	10%	0.104	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-64.5	-31.9	-174.2	57.9	0	0	0	0	114.4	S304 G305 G306 R314 I437	T302-S304 PolarHBondContact O-N 2.78Å; T302-G305 PolarHBondContact O-N 2.97Å; T302-G306 VanDerWaalsContact CA-O 3.3Å; T302-G306 WeakPolarHBondContact CA-O 3.45Å; T302-R314 HydrophobicContact CG2-CB 4.1Å; T302-R314 VanDerWaalsContact OG1-CD 3.32Å; T302-R314 WeakPolarHBondContact OG1-CD 3.41Å; T302-R314 PolarHBondContact OG1-NH1 3.28Å; T302-I437 HydrophobicContact CG2-CB 4.14Å; T302-I437 HydrophobicContact CG2-CD1 3.78Å; T302-I437 HydrophobicContact CG2-CG2 4.22Å; T302-I437 WeakPolarHBondContact OG1-CD1 3.39Å
303	F	87.9	Confident	96.2	Very high	98 Å²	98	14.9 Å²	14.9	43%	0.43	8%	0.075	S	C	.	.	G	3₁₀ helix	trans	-71.2	-15	174.2	-64.8	-30	0	0	0	113.5	Q301	Q301-F303 VanDerWaalsContact C-N 3.32Å; Q301-F303 PolarHBondContact O-N 3.3Å
304	S	92.1	Very high	96	Very high	26 Å²	26	16.2 Å²	16.2	18%	0.182	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-109.1	19.8	177	-54.8	0	0	0	0	111.6	T240 L242 Y263 Q301 T302	T240-S304 VanDerWaalsContact CG2-CB 3.48Å; T240-S304 WeakPolarHBondContact CG2-OG 3.41Å; L242-S304 WeakPolarHBondContact CD1-O 3.49Å; L242-S304 VanDerWaalsContact CD2-O 3.25Å; L242-S304 WeakPolarHBondContact CD2-O 3.22Å; Y263-S304 WeakPolarHBondContact CD2-O 3.4Å; Q301-S304 WeakPolarHBondContact CG-OG 3.25Å; Q301-S304 CarbonylContact O-C 3.42Å; Q301-S304 WeakPolarHBondContact O-CA 3.39Å; Q301-S304 PolarHBondContact O-N 2.85Å; T302-S304 PolarHBondContact O-N 2.78Å
305	G	94.1	Very high	95.9	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.021	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-0.1	174.7	0	0	0	0	0	115.2	R260 Y263 Q301 T302	R260-G305 WeakPolarHBondContact CD-O 3.44Å; R260-G305 PolarHBondContact NH1-O 2.93Å; Y263-G305 VanDerWaalsContact CD1-O 3.29Å; Y263-G305 WeakPolarHBondContact CD1-O 3.31Å; Q301-G305 PolarHBondContact O-N 3.33Å; T302-G305 PolarHBondContact O-N 2.97Å
306	G	96.3	Very high	95.7	Very high	6 Å²	6	18.9 Å²	18.9	6%	0.062	10%	0.099	C	C	.	.			trans	-69.8	159.5	169.5	0	0	0	0	0	112.4	D61 Q301 T302	D61-G306 WeakPolarHBondContact OD2-CA 3.3Å; Q301-G306 PolarHBondContact O-N 2.91Å; T302-G306 VanDerWaalsContact CA-O 3.3Å; T302-G306 WeakPolarHBondContact CA-O 3.45Å
307	S	96.9	Very high	95.6	Very high	4 Å²	4	19 Å²	19	3%	0.028	10%	0.1	C	C	.	.			trans	-138.7	132.2	176	-176.9	0	0	0	0	111.2	G58 Y59 H60 D61 W309	G58-S307 CarbonylContact C-O 3.54Å; G58-S307 VanDerWaalsContact C-O 3.23Å; G58-S307 VanDerWaalsContact CA-O 3.27Å; G58-S307 WeakPolarHBondContact CA-O 3.32Å; Y59-S307 PolarHBondContact N-O 3.31Å; Y59-S307 VanDerWaalsContact N-O 3.17Å; H60-S307 WeakPolarHBondContact CB-O 3.48Å; H60-S307 PolarHBondContact N-O 3.32Å; D61-S307 WeakPolarHBondContact OD1-CB 3.47Å; D61-S307 PolarHBondContact OD1-N 3.36Å; D61-S307 PolarHBondContact OD2-N 3.04Å; S307-W309 PolarHBondContact OG-N 3.37Å
308	N	97.6	Very high	95.5	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.011	10%	0.101	C	C	.	.			trans	-111.5	7.4	175.4	-54.2	-56.2	0	0	0	112.5	G58 Y59 G300 L311 R314 G321	G58-N308 WeakPolarHBondContact CA-OD1 3.41Å; Y59-N308 PolarHBondContact N-OD1 3.2Å; Y59-N308 VanDerWaalsContact N-OD1 3.14Å; G300-N308 PolarHBondContact N-ND2 3.15Å; G300-N308 PolarHBondContact N-OD1 2.97Å; G300-N308 PolarHBondContact O-ND2 2.85Å; N308-L311 HydrophobicContact CB-CB 4.47Å; N308-L311 WeakPolarHBondContact O-CA 3.48Å; N308-L311 WeakPolarHBondContact O-CB 3.5Å; N308-L311 WeakPolarHBondContact O-CG 3.33Å; N308-L311 PolarHBondContact O-N 2.92Å; N308-R314 WeakPolarHBondContact ND2-CA 3.11Å; N308-G321 PolarHBondContact ND2-O 2.91Å; N308-G321 VanDerWaalsContact ND2-O 3.13Å; N308-G321 PolarHBondContact OD1-O 2.85Å
309	W	96	Very high	95.5	Very high	71 Å²	71	19.6 Å²	19.6	27%	0.269	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	141.3	-177.8	-174.3	-97.1	0	0	0	112	H60 S307 L311 W436 P438 P439	H60-W309 HydrophobicContact CB-CB 4.37Å; H60-W309 VanDerWaalsContact CB-O 3.25Å; H60-W309 WeakPolarHBondContact CB-O 3.48Å; H60-W309 PolarHBondContact CD2-O 3.47Å; S307-W309 PolarHBondContact OG-N 3.37Å; W309-L311 VanDerWaalsContact C-N 3.34Å; W309-W436 HydrophobicContact CE3-CB 4.3Å; W309-W436 HydrophobicContact CZ3-CB 3.73Å; W309-P438 VanDerWaalsContact CE3-CA 3.49Å; W309-P438 HydrophobicContact CE3-CB 4.19Å; W309-P438 HydrophobicContact CE3-CG 4.09Å; W309-P438 HydrophobicContact CH2-CG 4.11Å; W309-P438 HydrophobicContact CZ3-CB 4.22Å; W309-P438 HydrophobicContact CZ3-CG 3.67Å; W309-P439 HydrophobicContact CB-CG 4.06Å; W309-P439 HydrophobicContact CG-CG 4.22Å
310	P	95.8	Very high	95.5	Very high	32 Å²	32	19.5 Å²	19.5	21%	0.208	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.5	16.9	-4	36.3	-37.9	0	0	0	114.2	Y472	P310-Y472 HydrophobicContact CB-CD1 4.27Å; P310-Y472 HydrophobicContact CB-CE1 4.21Å; P310-Y472 HydrophobicContact CG-CD1 3.88Å; P310-Y472 HydrophobicContact CG-CE1 3.37Å; P310-Y472 HydrophobicContact CG-CE2 4.23Å
311	L	97.6	Very high	95.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.101	C	C	.	.	S	Bend	trans	-70.4	150.7	176.5	-49.4	-178	0	0	0	111.3	Y59 N308 W309 E320 R324 Y472	Y59-L311 HydrophobicContact CD1-CD1 3.68Å; Y59-L311 HydrophobicContact CD1-CG 3.89Å; Y59-L311 HydrophobicContact CD2-CD1 3.86Å; Y59-L311 HydrophobicContact CE1-CD1 4.16Å; Y59-L311 HydrophobicContact CE1-CD2 4.46Å; Y59-L311 HydrophobicContact CE1-CG 4.28Å; Y59-L311 HydrophobicContact CE2-CD1 4.36Å; Y59-L311 HydrophobicContact CG-CD1 3.5Å; Y59-L311 HydrophobicContact CG-CG 4.22Å; N308-L311 HydrophobicContact CB-CB 4.47Å; N308-L311 WeakPolarHBondContact O-CA 3.48Å; N308-L311 WeakPolarHBondContact O-CB 3.5Å; N308-L311 WeakPolarHBondContact O-CG 3.33Å; N308-L311 PolarHBondContact O-N 2.92Å; W309-L311 VanDerWaalsContact C-N 3.34Å; L311-E320 HydrophobicContact CB-CB 4.19Å; L311-E320 HydrophobicContact CD1-CB 4.36Å; L311-E320 HydrophobicContact CD2-CB 4.29Å; L311-R324 HydrophobicContact CD1-CB 3.94Å; L311-R324 HydrophobicContact CD1-CG 4.32Å; L311-Y472 HydrophobicContact CD2-CD1 3.91Å; L311-Y472 HydrophobicContact CD2-CE1 4.15Å
312	R	95.8	Very high	95.7	Very high	10 Å²	10	17.8 Å²	17.8	4%	0.038	9%	0.093	C	C	.	.	S	Bend	trans	-78.7	142	178.9	-167	177.7	-174.1	170.1	-3.7	111.4	W319 G321 G434 W436 E473	R312-W319 HydrophobicContact CB-CB 4.22Å; R312-W319 HydrophobicContact CG-CB 4.33Å; R312-W319 HydrophobicContact CG-CD2 4.23Å; R312-W319 HydrophobicContact CG-CE3 4.34Å; R312-W319 HydrophobicContact CG-CG 4.22Å; R312-W319 WeakPolarHBondContact O-CB 3.15Å; R312-G321 WeakPolarHBondContact O-CA 3.3Å; R312-G321 PolarHBondContact O-N 2.84Å; R312-G434 WeakPolarHBondContact CG-O 3.1Å; R312-G434 PolarHBondContact NE-O 2.93Å; R312-G434 PolarHBondContact NH2-O 2.8Å; R312-W436 HydrophobicContact CB-CD2 4.23Å; R312-W436 HydrophobicContact CB-CG 4.5Å; R312-W436 HydrophobicContact CB-CZ2 3.95Å; R312-W436 HydrophobicContact CG-CD2 3.94Å; R312-W436 HydrophobicContact CG-CE3 4.25Å; R312-W436 HydrophobicContact CG-CH2 4.08Å; R312-W436 HydrophobicContact CG-CZ2 3.74Å; R312-W436 HydrophobicContact CG-CZ3 4.31Å; R312-W436 VanDerWaalsContact CZ-CH2 3.47Å; R312-E473 HydrophobicContact CB-CB 4.36Å; R312-E473 PolarHBondContact NH1-O 2.77Å
313	G	94.8	Very high	96	Very high	2 Å²	2	17 Å²	17	2%	0.021	9%	0.088	C	C	.	.			trans	73.2	-160.2	174.4	0	0	0	0	0	114	Y433 D435	G313-Y433 WeakPolarHBondContact CA-O 3.38Å; G313-D435 PolarHBondContact N-O 3.42Å
314	R	94.9	Very high	96.5	Very high	29 Å²	29	13.7 Å²	13.7	11%	0.109	7%	0.073	C	C	.	.			trans	-164	-174.8	-166.7	62.3	177.5	-176.2	-176.2	-4	113	G300 T302 N308 G316 T317 G322	G300-R314 WeakPolarHBondContact O-CB 3.23Å; T302-R314 HydrophobicContact CG2-CB 4.1Å; T302-R314 VanDerWaalsContact OG1-CD 3.32Å; T302-R314 WeakPolarHBondContact OG1-CD 3.41Å; T302-R314 PolarHBondContact OG1-NH1 3.28Å; N308-R314 WeakPolarHBondContact ND2-CA 3.11Å; R314-G316 PolarHBondContact O-N 3.23Å; R314-T317 HydrophobicContact CG-CG2 4.11Å; R314-T317 PolarHBondContact N-OG1 3.29Å; R314-T317 WeakPolarHBondContact O-CB 3.4Å; R314-T317 WeakPolarHBondContact O-CG2 3.43Å; R314-T317 PolarHBondContact O-N 2.95Å; R314-T317 VanDerWaalsContact O-N 3.08Å; R314-T317 PolarHBondContact O-OG1 3.46Å; R314-G322 WeakPolarHBondContact O-CA 3.12Å
315	K	96.4	Very high	96.8	Very high	31 Å²	31	12.4 Å²	12.4	14%	0.135	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40	133.3	167.7	-177.4	175.2	-177.8	162.5	0	112.1	D56 I92 H239 G299 G300 Q301 T317	D56-K315 VanDerWaalsContact OD1-CD 3.25Å; D56-K315 WeakPolarHBondContact OD1-CD 3.3Å; D56-K315 VanDerWaalsContact OD1-CE 3.27Å; D56-K315 WeakPolarHBondContact OD1-CE 3.13Å; D56-K315 IonicContact OD1-NZ 2.6Å; D56-K315 PolarHBondContact OD1-NZ 2.91Å; D56-K315 WeakPolarHBondContact OD2-CD 3.24Å; D56-K315 IonicContact OD2-NZ 3.85Å; D56-K315 PolarHBondContact OD2-NZ 3.03Å; I92-K315 HydrophobicContact CG2-CG 4.32Å; H239-K315 PolarHBondContact CD2-NZ 2.87Å; H239-K315 PolarHBondContact NE2-NZ 3.38Å; G299-K315 WeakPolarHBondContact O-CB 3.48Å; G300-K315 PolarHBondContact O-N 2.9Å; G300-K315 VanDerWaalsContact O-N 3.15Å; Q301-K315 HydrophobicContact CB-CB 4.19Å; Q301-K315 HydrophobicContact CB-CD 4.14Å; K315-T317 VanDerWaalsContact C-N 3.33Å
316	G	95	Very high	96.9	Very high	25 Å²	25	12.4 Å²	12.4	26%	0.258	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-0.2	178.9	0	0	0	0	0	115.2	P91 R314	P91-G316 PolarHBondContact O-N 3.36Å; R314-G316 PolarHBondContact O-N 3.23Å
317	T	95.9	Very high	97	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.031	6%	0.061	C	C	.	.	S	Bend	trans	-117.3	151.8	-176.8	75.4	0	0	0	0	111.4	P91 R314 K315 W319 G322 P431	P91-T317 VanDerWaalsContact CB-O 3.28Å; P91-T317 WeakPolarHBondContact CB-O 3.49Å; R314-T317 HydrophobicContact CG-CG2 4.11Å; R314-T317 PolarHBondContact N-OG1 3.29Å; R314-T317 WeakPolarHBondContact O-CB 3.4Å; R314-T317 WeakPolarHBondContact O-CG2 3.43Å; R314-T317 PolarHBondContact O-N 2.95Å; R314-T317 VanDerWaalsContact O-N 3.08Å; R314-T317 PolarHBondContact O-OG1 3.46Å; K315-T317 VanDerWaalsContact C-N 3.33Å; T317-W319 VanDerWaalsContact C-N 3.27Å; T317-G322 WeakPolarHBondContact O-CA 3.22Å; T317-P431 CarbonylContact C-O 3.23Å; T317-P431 VanDerWaalsContact CA-O 3.24Å; T317-P431 WeakPolarHBondContact CA-O 3.36Å; T317-P431 WeakPolarHBondContact CB-O 3.24Å
318	Y	97.1	Very high	97.1	Very high	6 Å²	6	12 Å²	12	2%	0.024	6%	0.06	C	C	.	.	S	Bend	trans	-87.8	0.5	-179	-69.2	11.3	0	0	0	112.5	P91 N391 Q416 A418 K425 L427 P431	P91-Y318 HydrophobicContact CB-CD1 4.37Å; P91-Y318 HydrophobicContact CG-CD1 3.79Å; P91-Y318 HydrophobicContact CG-CE1 3.68Å; Y318-N391 HydrophobicContact CE1-CB 4.46Å; Y318-N391 HydrophobicContact CE2-CB 3.98Å; Y318-N391 WeakPolarHBondContact OH-CB 3.4Å; Y318-N391 PolarHBondContact OH-ND2 3.07Å; Y318-Q416 HydrophobicContact CD2-CG 4.09Å; Y318-Q416 HydrophobicContact CE2-CG 3.67Å; Y318-Q416 PolarHBondContact OH-OE1 3.17Å; Y318-A418 HydrophobicContact CD2-CB 3.59Å; Y318-A418 HydrophobicContact CG-CB 4.12Å; Y318-K425 VanDerWaalsContact O-CE 3.29Å; Y318-K425 WeakPolarHBondContact O-CE 3.28Å; Y318-K425 PolarHBondContact O-NZ 2.78Å; Y318-L427 WeakPolarHBondContact O-CD2 3.46Å; Y318-P431 PolarHBondContact N-O 2.9Å
319	W	98.2	Very high	97.2	Very high	5 Å²	5	11.9 Å²	11.9	2%	0.019	6%	0.06	C	C	.	.	S	Bend	trans	-62.6	158.3	167.9	-55.2	115.4	0	0	0	111.5	R312 T317 G321 G322 V323 L427 P431 G432 W463 F465 E473	R312-W319 HydrophobicContact CB-CB 4.22Å; R312-W319 HydrophobicContact CG-CB 4.33Å; R312-W319 HydrophobicContact CG-CD2 4.23Å; R312-W319 HydrophobicContact CG-CE3 4.34Å; R312-W319 HydrophobicContact CG-CG 4.22Å; R312-W319 WeakPolarHBondContact O-CB 3.15Å; T317-W319 VanDerWaalsContact C-N 3.27Å; W319-G321 PolarHBondContact O-N 2.96Å; W319-G321 VanDerWaalsContact O-N 3.14Å; W319-G322 PolarHBondContact O-N 2.75Å; W319-V323 WeakPolarHBondContact O-CG2 3.4Å; W319-V323 PolarHBondContact O-N 2.84Å; W319-L427 HydrophobicContact CD2-CD2 4.34Å; W319-L427 HydrophobicContact CE3-CD2 3.98Å; W319-L427 HydrophobicContact CZ3-CD1 4.26Å; W319-L427 HydrophobicContact CZ3-CD2 4.23Å; W319-P431 HydrophobicContact CD2-CB 4.41Å; W319-P431 HydrophobicContact CH2-CG 4.37Å; W319-P431 HydrophobicContact CZ2-CB 3.9Å; W319-P431 HydrophobicContact CZ2-CG 3.95Å; W319-G432 PolarHBondContact NE1-O 2.8Å; W319-W463 HydrophobicContact CH2-CD2 4.07Å; W319-W463 HydrophobicContact CH2-CG 4.03Å; W319-F465 AromaticContact CZ3-CE2 3.65Å; W319-F465 HydrophobicContact CZ3-CE2 3.65Å; W319-F465 AromaticContact CZ3-CZ 3.92Å; W319-F465 HydrophobicContact CZ3-CZ 3.92Å; W319-E473 WeakPolarHBondContact CA-OE2 3.49Å
320	E	98.7	Very high	97.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-53.8	-37.4	-176.9	-73.1	-62.6	91.5	0	0	112.3	Y88 L311 G322 V323 R324 K425 I467 E473	Y88-E320 WeakPolarHBondContact CE1-OE1 3.34Å; Y88-E320 WeakPolarHBondContact CE1-OE2 3.45Å; Y88-E320 PolarHBondContact OH-OE2 3.41Å; L311-E320 HydrophobicContact CB-CB 4.19Å; L311-E320 HydrophobicContact CD1-CB 4.36Å; L311-E320 HydrophobicContact CD2-CB 4.29Å; E320-G322 PolarHBondContact O-N 3.37Å; E320-V323 PolarHBondContact O-N 2.84Å; E320-R324 HydrophobicContact CB-CB 4.43Å; E320-R324 WeakPolarHBondContact O-CA 3.46Å; E320-R324 WeakPolarHBondContact O-CB 3.38Å; E320-R324 PolarHBondContact O-N 2.9Å; E320-R324 WeakPolarHBondContact OE2-CD 3.44Å; E320-R324 IonicContact OE2-NH1 2.85Å; E320-K425 WeakPolarHBondContact OE1-CD 3.1Å; E320-K425 WeakPolarHBondContact OE1-CE 3.33Å; E320-K425 IonicContact OE1-NZ 3.08Å; E320-K425 PolarHBondContact OE1-NZ 2.97Å; E320-I467 HydrophobicContact CG-CD1 4Å; E320-E473 HydrophobicContact CG-CG 3.95Å; E320-E473 PolarHBondContact N-OE2 2.87Å
321	G	98.3	Very high	97.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-68.9	-9.5	177.7	0	0	0	0	0	114.8	G299 N308 R312 W319	G299-G321 WeakPolarHBondContact CA-O 3.13Å; N308-G321 PolarHBondContact ND2-O 2.91Å; N308-G321 VanDerWaalsContact ND2-O 3.13Å; N308-G321 PolarHBondContact OD1-O 2.85Å; R312-G321 WeakPolarHBondContact O-CA 3.3Å; R312-G321 PolarHBondContact O-N 2.84Å; W319-G321 PolarHBondContact O-N 2.96Å; W319-G321 VanDerWaalsContact O-N 3.14Å
322	G	98.1	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-97.6	-34.9	169.8	0	0	0	0	0	113.8	P91 G299 R314 T317 W319 E320	P91-G322 WeakPolarHBondContact CA-O 3.24Å; G299-G322 PolarHBondContact N-O 3.49Å; R314-G322 WeakPolarHBondContact O-CA 3.12Å; T317-G322 WeakPolarHBondContact O-CA 3.22Å; W319-G322 PolarHBondContact O-N 2.75Å; E320-G322 PolarHBondContact O-N 3.37Å
323	V	98.7	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-114.4	-16.8	-169	-60.4	0	0	0	0	115.4	Y88 I89 P91 W319 E320 G325	Y88-V323 CarbonylContact C-O 3.37Å; Y88-V323 VanDerWaalsContact CA-O 3.28Å; Y88-V323 WeakPolarHBondContact CA-O 3.42Å; Y88-V323 HydrophobicContact CD1-CB 4.41Å; Y88-V323 HydrophobicContact CD1-CG2 4.02Å; Y88-V323 WeakPolarHBondContact CD1-O 3.41Å; Y88-V323 HydrophobicContact CE1-CG2 4.26Å; I89-V323 WeakPolarHBondContact CG1-O 3.4Å; I89-V323 PolarHBondContact N-O 2.74Å; I89-V323 WeakPolarHBondContact O-CB 3.26Å; I89-V323 VanDerWaalsContact O-O 3.13Å; P91-V323 HydrophobicContact CB-CG1 3.99Å; P91-V323 HydrophobicContact CG-CG1 4.34Å; W319-V323 WeakPolarHBondContact O-CG2 3.4Å; W319-V323 PolarHBondContact O-N 2.84Å; E320-V323 PolarHBondContact O-N 2.84Å; V323-G325 PolarHBondContact O-N 3.15Å
324	R	98.7	Very high	97.8	Very high	29 Å²	29	12.3 Å²	12.3	11%	0.109	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-85	113.6	175	-168.8	175.6	-175.9	167.6	-5.6	108.8	Y59 E85 Y88 L311 E320	Y59-R324 HydrophobicContact CE2-CG 4.33Å; E85-R324 PolarHBondContact O-NE 2.89Å; E85-R324 PolarHBondContact O-NH2 3.31Å; Y88-R324 HydrophobicContact CD1-CB 4.42Å; Y88-R324 HydrophobicContact CE1-CB 4.09Å; Y88-R324 HydrophobicContact CE1-CG 4.36Å; L311-R324 HydrophobicContact CD1-CB 3.94Å; L311-R324 HydrophobicContact CD1-CG 4.32Å; E320-R324 HydrophobicContact CB-CB 4.43Å; E320-R324 WeakPolarHBondContact O-CA 3.46Å; E320-R324 WeakPolarHBondContact O-CB 3.38Å; E320-R324 PolarHBondContact O-N 2.9Å; E320-R324 WeakPolarHBondContact OE2-CD 3.44Å; E320-R324 IonicContact OE2-NH1 2.85Å
325	G	97.3	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.			trans	-84.4	148.8	-169.4	0	0	0	0	0	113.5	Y87 I89 V323	Y87-G325 PolarHBondContact O-N 3.23Å; I89-G325 VanDerWaalsContact CD1-CA 3.45Å; V323-G325 PolarHBondContact O-N 3.15Å
326	L	97.8	Very high	98	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	11%	0.114	C	C	.	.			trans	-75	127.2	161.7	173.7	66.3	0	0	0	108.3	Q57 V62 Y64 F294 S295 S296	Q57-L326 HydrophobicContact CB-CD2 4.42Å; Q57-L326 HydrophobicContact CG-CD2 3.72Å; V62-L326 HydrophobicContact CB-CD1 4.07Å; V62-L326 HydrophobicContact CB-CD2 4.24Å; V62-L326 HydrophobicContact CG1-CD1 3.49Å; V62-L326 VanDerWaalsContact CG1-CD1 3.49Å; Y64-L326 HydrophobicContact CE1-CD1 4.39Å; Y64-L326 HydrophobicContact CE2-CD1 4.38Å; Y64-L326 WeakPolarHBondContact OH-CD1 3.43Å; F294-L326 HydrophobicContact CE1-CD2 3.94Å; F294-L326 HydrophobicContact CE1-CG 4.3Å; S295-L326 CarbonylContact C-O 3.54Å; S295-L326 VanDerWaalsContact CA-O 3.29Å; S295-L326 WeakPolarHBondContact CA-O 3.27Å; S296-L326 PolarHBondContact N-O 2.5Å; S296-L326 PolarHBondContact OG-N 3.31Å
327	G	98.6	Very high	98.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	152.5	176.3	0	0	0	0	0	116.8	L84 F294	L84-G327 WeakPolarHBondContact CB-O 3.34Å; L84-G327 PolarHBondContact N-O 3.16Å; F294-G327 CarbonylContact O-C 3.56Å; F294-G327 WeakPolarHBondContact O-CA 3.44Å
328	F	98.9	Very high	98.2	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	159.8	172.9	64.1	-99.3	0	0	0	111.5	Y64 L74 L77 A78 V82 F294 H330	Y64-F328 HydrophobicContact CE1-CD1 4.1Å; L74-F328 HydrophobicContact CB-CE1 4.17Å; L74-F328 HydrophobicContact CB-CZ 4.48Å; L74-F328 HydrophobicContact CD2-CE1 4.17Å; L74-F328 HydrophobicContact CD2-CZ 4.01Å; L77-F328 HydrophobicContact CB-CD2 4.4Å; L77-F328 HydrophobicContact CB-CE2 3.53Å; L77-F328 HydrophobicContact CB-CZ 3.82Å; L77-F328 HydrophobicContact CD1-CE2 4.33Å; L77-F328 HydrophobicContact CD1-CZ 4.27Å; A78-F328 HydrophobicContact CB-CB 4.08Å; A78-F328 HydrophobicContact CB-CD1 3.74Å; A78-F328 HydrophobicContact CB-CD2 4.35Å; A78-F328 HydrophobicContact CB-CE1 4.23Å; A78-F328 HydrophobicContact CB-CG 3.8Å; V82-F328 CarbonylContact O-C 3.55Å; V82-F328 VanDerWaalsContact O-CA 3.25Å; V82-F328 WeakPolarHBondContact O-CA 3.35Å; V82-F328 WeakPolarHBondContact O-CB 3.31Å; F294-F328 HydrophobicContact CB-CD1 3.94Å; F294-F328 HydrophobicContact CB-CD2 4.1Å; F294-F328 HydrophobicContact CB-CE1 3.53Å; F294-F328 HydrophobicContact CB-CE2 3.68Å; F294-F328 HydrophobicContact CB-CG 4.22Å; F294-F328 HydrophobicContact CB-CZ 3.38Å; F294-F328 HydrophobicContact CD1-CD1 4.09Å; F294-F328 AromaticContact CD1-CE1 3.62Å; F294-F328 HydrophobicContact CD1-CE1 3.62Å; F294-F328 HydrophobicContact CD1-CZ 4.24Å; F294-F328 HydrophobicContact CD2-CE1 4.4Å; F294-F328 HydrophobicContact CD2-CZ 4.27Å; F294-F328 HydrophobicContact CE1-CE1 4.42Å; F294-F328 HydrophobicContact CG-CD1 4.28Å; F294-F328 AromaticContact CG-CE1 3.6Å; F294-F328 HydrophobicContact CG-CE1 3.6Å; F294-F328 HydrophobicContact CG-CE2 4.5Å; F294-F328 AromaticContact CG-CZ 3.73Å; F294-F328 HydrophobicContact CG-CZ 3.73Å; F294-F328 PolarHBondContact N-O 2.9Å; F294-F328 PolarHBondContact O-N 3.33Å; F328-H330 HydrophobicContact CD2-CB 4.4Å; F328-H330 HydrophobicContact CE2-CB 4.38Å
329	V	98.9	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.6	169.8	-179.2	0	0	0	0	109.5	G81 V82 L84 V291 I293 L334 W350 W374 I377	G81-V329 CarbonylContact C-O 3.58Å; G81-V329 WeakPolarHBondContact CA-O 3.25Å; V82-V329 PolarHBondContact N-O 2.91Å; V82-V329 PolarHBondContact O-N 3.28Å; L84-V329 HydrophobicContact CD1-CG2 4.32Å; V291-V329 HydrophobicContact CG1-CG1 3.98Å; I293-V329 HydrophobicContact CG1-CG2 4.41Å; V329-L334 HydrophobicContact CG1-CD1 4.47Å; V329-L334 HydrophobicContact CG1-CD2 4.25Å; V329-W350 HydrophobicContact CG2-CH2 3.57Å; V329-W350 HydrophobicContact CG2-CZ3 4.23Å; V329-W374 HydrophobicContact CG1-CZ3 4.21Å; V329-I377 HydrophobicContact CB-CG2 3.94Å; V329-I377 HydrophobicContact CG1-CG2 4.17Å; V329-I377 HydrophobicContact CG2-CD1 4.34Å; V329-I377 HydrophobicContact CG2-CG2 3.92Å
330	H	98.9	Very high	98.3	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121	173.6	-178	90.4	0	0	0	109.9	L77 Y287 I292 F328	L77-H330 HydrophobicContact CB-CB 4.25Å; L77-H330 HydrophobicContact CD2-CB 4.33Å; L77-H330 PolarHBondContact O-ND1 2.91Å; Y287-H330 AromaticContact CE2-NE2 3.88Å; Y287-H330 AromaticContact CZ-NE2 3.48Å; Y287-H330 PolarHBondContact OH-NE2 3.14Å; I292-H330 WeakPolarHBondContact CA-O 3.45Å; I292-H330 HydrophobicContact CB-CB 4.4Å; I292-H330 WeakPolarHBondContact CB-O 3.36Å; I292-H330 PolarHBondContact N-O 3.38Å; I292-H330 PolarHBondContact O-N 2.88Å; F328-H330 HydrophobicContact CD2-CB 4.4Å; F328-H330 HydrophobicContact CE2-CB 4.38Å
331	S	98.7	Very high	98.3	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.021	18%	0.183	C	C	.	.			trans	-157.9	141.1	174	-177	0	0	0	0	111.3	S290 L333 L334 K337	S290-S331 VanDerWaalsContact O-CB 3.27Å; S290-S331 WeakPolarHBondContact O-CB 3.4Å; S290-S331 PolarHBondContact O-OG 3.13Å; S331-L333 PolarHBondContact O-N 3.45Å; S331-L333 WeakPolarHBondContact OG-CB 3.41Å; S331-L333 WeakPolarHBondContact OG-CG 3.43Å; S331-L333 PolarHBondContact OG-N 3.33Å; S331-L334 PolarHBondContact O-N 3.45Å; S331-K337 WeakPolarHBondContact O-CE 3.23Å
332	P	98.1	Very high	98.2	Very high	40 Å²	40	49 Å²	49	26%	0.26	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.7	164.3	-27.6	39.5	0	0	0	113.7	Y287 K337	Y287-P332 HydrophobicContact CD1-CG 4.19Å; Y287-P332 HydrophobicContact CE1-CG 4.03Å; Y287-P332 WeakPolarHBondContact O-CG 3.29Å; P332-K337 VanDerWaalsContact O-CE 3.3Å; P332-K337 WeakPolarHBondContact O-CE 3.4Å; P332-K337 PolarHBondContact O-NZ 2.93Å
333	L	97.9	Very high	98.2	Very high	68 Å²	68	50 Å²	50	36%	0.356	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-8.4	-177.6	-51.9	176.4	0	0	0	114.5	P47 V291 S331 K335	P47-L333 HydrophobicContact CB-CD1 3.6Å; P47-L333 HydrophobicContact CG-CD1 4.48Å; V291-L333 HydrophobicContact CG2-CD1 4.2Å; S331-L333 PolarHBondContact O-N 3.45Å; S331-L333 WeakPolarHBondContact OG-CB 3.41Å; S331-L333 WeakPolarHBondContact OG-CG 3.43Å; S331-L333 PolarHBondContact OG-N 3.33Å; L333-K335 PolarHBondContact O-N 2.9Å
334	L	98.5	Very high	98.2	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.037	23%	0.229	C	C	.	.			trans	-63.1	129.7	174.8	-71.6	163.9	0	0	0	110.3	V82 V329 S331 K337 W374 I377	V82-L334 HydrophobicContact CG2-CD1 4.01Å; V82-L334 HydrophobicContact CG2-CD2 4.13Å; V329-L334 HydrophobicContact CG1-CD1 4.47Å; V329-L334 HydrophobicContact CG1-CD2 4.25Å; S331-L334 PolarHBondContact O-N 3.45Å; L334-K337 HydrophobicContact CB-CG 3.74Å; L334-K337 HydrophobicContact CD1-CG 4.37Å; L334-K337 WeakPolarHBondContact O-CE 3.44Å; L334-W374 HydrophobicContact CD2-CH2 3.88Å; L334-W374 HydrophobicContact CD2-CZ2 4.46Å; L334-W374 HydrophobicContact CD2-CZ3 4.25Å; L334-W374 HydrophobicContact CG-CH2 4.49Å; L334-I377 HydrophobicContact CD2-CG2 3.86Å
335	K	98.1	Very high	98.2	Very high	155 Å²	155	49.3 Å²	49.3	67%	0.674	22%	0.224	S	C	*	.	S	Bend	trans	-70.1	-38.6	175.9	-63.7	-166.7	-172.3	166.8	0	111.9	L333 S378 E379	L333-K335 PolarHBondContact O-N 2.9Å; K335-S378 PolarHBondContact N-O 3Å; K335-S378 PolarHBondContact N-OG 3.47Å; K335-E379 HydrophobicContact CB-CG 4.49Å; K335-E379 HydrophobicContact CD-CG 3.94Å; K335-E379 WeakPolarHBondContact CE-OE1 3.07Å; K335-E379 HydrophobicContact CG-CG 4.47Å; K335-E379 IonicContact NZ-OE1 3.15Å; K335-E379 PolarHBondContact NZ-OE1 3.3Å
336	R	98.1	Very high	98.3	Very high	147 Å²	147	49.3 Å²	49.3	56%	0.555	22%	0.224	S	C	*	.	S	Bend	trans	-122.3	113.1	176.4	-63.5	-179.5	75.4	-173.7	1.1	110.2	S378 E379	R336-S378 PolarHBondContact N-O 2.9Å; R336-E379 WeakPolarHBondContact CD-O 3.22Å; R336-E379 PolarHBondContact NH1-O 2.86Å
337	K	97.4	Very high	98.3	Very high	96 Å²	96	49.3 Å²	49.3	42%	0.417	22%	0.224	S	C	.	.			trans	-104.8	172.9	-179.1	-63.4	170.3	-172	166.9	0	110.6	S331 P332 L334 R339	S331-K337 WeakPolarHBondContact O-CE 3.23Å; P332-K337 VanDerWaalsContact O-CE 3.3Å; P332-K337 WeakPolarHBondContact O-CE 3.4Å; P332-K337 PolarHBondContact O-NZ 2.93Å; L334-K337 HydrophobicContact CB-CG 3.74Å; L334-K337 HydrophobicContact CD1-CG 4.37Å; L334-K337 WeakPolarHBondContact O-CE 3.44Å; K337-R339 PolarHBondContact O-N 2.86Å
338	Q	98.1	Very high	98.3	Very high	153 Å²	153	49.2 Å²	49.2	72%	0.715	22%	0.224	S	C	*	.	S	Bend	trans	57.9	45.9	173.5	-49.7	-175.2	13.3	0	0	112.8	A79 G81	A79-Q338 WeakPolarHBondContact O-CA 3.44Å; A79-Q338 WeakPolarHBondContact O-CG 3.36Å; G81-Q338 WeakPolarHBondContact O-CA 3.49Å; G81-Q338 PolarHBondContact O-N 3.48Å
339	R	97.9	Very high	98.3	Very high	52 Å²	52	49.2 Å²	49.2	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	161.5	-177.4	70.3	174.7	-149.6	83.4	0.1	112.2	G81 V82 K83 K337 S341 A376 I377	G81-R339 PolarHBondContact O-N 2.74Å; V82-R339 WeakPolarHBondContact CA-O 3.42Å; V82-R339 HydrophobicContact CB-CG 4.48Å; V82-R339 HydrophobicContact CG1-CG 4.16Å; V82-R339 HydrophobicContact CG2-CG 3.93Å; K83-R339 PolarHBondContact N-O 3.09Å; K337-R339 PolarHBondContact O-N 2.86Å; R339-S341 VanDerWaalsContact NH1-CA 3.33Å; R339-S341 PolarHBondContact NH2-OG 2.81Å; R339-A376 PolarHBondContact NH2-O 3.36Å; R339-I377 PolarHBondContact NH2-O 2.88Å
340	T	98.5	Very high	98.3	Very high	69 Å²	69	49.3 Å²	49.3	42%	0.423	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.3	168.2	-67.3	0	0	0	0	109.3	E85	E85-T340 HydrophobicContact CB-CG2 4Å; E85-T340 HydrophobicContact CG-CG2 3.3Å
341	S	98.3	Very high	98.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129	174	-162.9	0	0	0	0	110.8	K83 E85 R339	K83-S341 WeakPolarHBondContact O-CB 3.5Å; K83-S341 PolarHBondContact O-N 3.31Å; E85-S341 PolarHBondContact N-O 2.7Å; R339-S341 VanDerWaalsContact NH1-CA 3.33Å; R339-S341 PolarHBondContact NH2-OG 2.81Å
342	R	97.3	Very high	98.3	Very high	198 Å²	198	49.3 Å²	49.3	75%	0.747	22%	0.224	S	C	*	.			trans	-110.8	11.6	169.8	-62	-175	177.9	-154.7	-0.4	112.3	N86 L344	N86-R342 HydrophobicContact CB-CB 4.45Å; N86-R342 VanDerWaalsContact CB-O 3.27Å; N86-R342 WeakPolarHBondContact CB-O 3.13Å; N86-R342 PolarHBondContact ND2-O 3.15Å; R342-L344 PolarHBondContact O-N 3.15Å
343	A	97.7	Very high	98.3	Very high	19 Å²	19	47.4 Å²	47.4	16%	0.157	21%	0.212	C	C	.	.	S	Bend	trans	-61.4	132.1	171.2	0	0	0	0	0	109.1	M345 A376	A343-M345 PolarHBondContact O-N 3.5Å; A343-A376 HydrophobicContact CB-CB 4.07Å
344	L	98.6	Very high	98.4	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.073	20%	0.195	C	C	.	.			trans	-65.5	123.4	-178.1	-178.1	55.7	0	0	0	110.3	Y88 R342 S383 R385 I388 R420	Y88-L344 HydrophobicContact CD2-CD1 4.05Å; Y88-L344 HydrophobicContact CE2-CD1 4.02Å; R342-L344 PolarHBondContact O-N 3.15Å; L344-S383 VanDerWaalsContact O-CB 3.25Å; L344-S383 WeakPolarHBondContact O-CB 3.32Å; L344-S383 PolarHBondContact O-OG 3.05Å; L344-R385 HydrophobicContact CD2-CG 4Å; L344-R385 HydrophobicContact CG-CG 3.93Å; L344-I388 HydrophobicContact CD1-CD1 3.51Å; L344-I388 HydrophobicContact CD1-CG1 4.35Å; L344-I388 HydrophobicContact CD2-CD1 4.42Å; L344-I388 HydrophobicContact CD2-CG1 4.4Å; L344-I388 HydrophobicContact CG-CD1 4.01Å; L344-I388 HydrophobicContact CG-CG1 4.42Å; L344-R420 VanDerWaalsContact CD1-CZ 3.46Å
345	M	98.6	Very high	98.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.5	-178.6	-69.5	173.5	55.3	0	0	110.9	L84 N86 Y87 Y88 A343 D349 W350 V373 I377	L84-M345 HydrophobicContact CD1-CE 3.78Å; L84-M345 HydrophobicContact CD1-SD 4.5Å; L84-M345 HydrophobicContact CD2-CE 4.08Å; L84-M345 HydrophobicContact CD2-SD 3.86Å; N86-M345 PolarHBondContact O-N 2.64Å; Y87-M345 CarbonylContact C-O 3.46Å; Y87-M345 WeakPolarHBondContact CA-O 3.44Å; Y87-M345 HydrophobicContact CD2-CB 3.93Å; Y88-M345 PolarHBondContact N-O 3.44Å; A343-M345 PolarHBondContact O-N 3.5Å; M345-D349 WeakPolarHBondContact CA-OD2 3.47Å; M345-W350 HydrophobicContact CE-CH2 3.91Å; M345-W350 HydrophobicContact CE-CZ2 4.01Å; M345-V373 HydrophobicContact CE-CG2 3.81Å; M345-V373 HydrophobicContact CG-CB 4.38Å; M345-V373 HydrophobicContact CG-CG1 4.44Å; M345-V373 HydrophobicContact CG-CG2 4.27Å; M345-V373 HydrophobicContact SD-CG2 4.38Å; M345-I377 HydrophobicContact CE-CD1 3.58Å; M345-I377 HydrophobicContact CE-CG1 3.75Å; M345-I377 HydrophobicContact SD-CD1 4.31Å; M345-I377 HydrophobicContact SD-CG1 3.81Å
346	H	98.9	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.6	177.2	-174.7	-98.7	0	0	0	110.4	Y88 Q90 Q99 Y105 T348 D349 I388	Y88-H346 CarbonylContact O-C 3.59Å; Y88-H346 VanDerWaalsContact O-CA 3.3Å; Y88-H346 WeakPolarHBondContact O-CA 3.08Å; Y88-H346 PolarHBondContact O-CD2 3.36Å; Q90-H346 PolarHBondContact NE2-NE2 2.97Å; Q99-H346 PolarHBondContact OE1-CE1 3.37Å; Y105-H346 AromaticContact CE1-CE1 3.71Å; Y105-H346 AromaticContact CE1-ND1 3.8Å; H346-T348 WeakPolarHBondContact ND1-CG2 3.45Å; H346-T348 PolarHBondContact ND1-N 3.42Å; H346-T348 PolarHBondContact ND1-OG1 3.15Å; H346-T348 PolarHBondContact O-N 3.41Å; H346-T348 VanDerWaalsContact O-N 3.09Å; H346-D349 PolarHBondContact N-OD2 2.98Å; H346-D349 WeakPolarHBondContact O-CB 3.31Å; H346-D349 PolarHBondContact O-N 3.3Å; H346-I388 HydrophobicContact CB-CD1 3.94Å; H346-I388 HydrophobicContact CB-CG1 4.18Å
347	I	98.9	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.1	-25.1	-177.5	-158.1	170.1	0	0	0	113.7	Y88 I89 Q99 L100 D349 W350	Y88-I347 PolarHBondContact O-N 3.38Å; I89-I347 HydrophobicContact CG2-CB 4.16Å; I89-I347 HydrophobicContact CG2-CD1 4.04Å; I89-I347 HydrophobicContact CG2-CG1 4.45Å; Q99-I347 HydrophobicContact CB-CG2 3.83Å; L100-I347 HydrophobicContact CB-CD1 3.99Å; L100-I347 HydrophobicContact CB-CG1 3.95Å; L100-I347 HydrophobicContact CD1-CG1 4.13Å; I347-D349 PolarHBondContact O-N 3.35Å; I347-W350 PolarHBondContact O-N 2.97Å
348	T	98.8	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-65.5	-25.1	173.1	51.2	0	0	0	0	113.1	Q99 G103 Y105 H346 W350 Y351 P352 R385	Q99-T348 HydrophobicContact CB-CG2 3.78Å; Q99-T348 HydrophobicContact CG-CG2 4.39Å; G103-T348 WeakPolarHBondContact CA-O 3.42Å; Y105-T348 HydrophobicContact CD1-CG2 4.28Å; Y105-T348 HydrophobicContact CE1-CG2 4.28Å; H346-T348 WeakPolarHBondContact ND1-CG2 3.45Å; H346-T348 PolarHBondContact ND1-N 3.42Å; H346-T348 PolarHBondContact ND1-OG1 3.15Å; H346-T348 PolarHBondContact O-N 3.41Å; H346-T348 VanDerWaalsContact O-N 3.09Å; T348-W350 PolarHBondContact O-N 2.92Å; T348-Y351 PolarHBondContact O-N 3.08Å; T348-P352 VanDerWaalsContact O-CD 3.31Å; T348-P352 WeakPolarHBondContact O-CD 3.38Å; T348-R385 PolarHBondContact OG1-NH2 3.14Å; T348-R385 VanDerWaalsContact OG1-NH2 3.11Å
349	D	98.8	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-67.3	-24.2	-179	-63	-29.9	0	0	0	112	M345 H346 I347 Y351 P352 T353 G370 Y371 V373 R385	M345-D349 WeakPolarHBondContact CA-OD2 3.47Å; H346-D349 PolarHBondContact N-OD2 2.98Å; H346-D349 WeakPolarHBondContact O-CB 3.31Å; H346-D349 PolarHBondContact O-N 3.3Å; I347-D349 PolarHBondContact O-N 3.35Å; D349-Y351 VanDerWaalsContact C-N 3.26Å; D349-Y351 PolarHBondContact O-N 2.84Å; D349-P352 WeakPolarHBondContact O-CD 3.28Å; D349-P352 WeakPolarHBondContact O-CG 3.4Å; D349-T353 WeakPolarHBondContact O-CB 3.34Å; D349-T353 PolarHBondContact O-N 3.15Å; D349-T353 VanDerWaalsContact O-N 3.1Å; D349-T353 PolarHBondContact O-OG1 2.64Å; D349-G370 WeakPolarHBondContact OD1-CA 3.47Å; D349-Y371 WeakPolarHBondContact CA-O 3.39Å; D349-Y371 WeakPolarHBondContact CB-O 3.14Å; D349-Y371 PolarHBondContact OD1-N 2.66Å; D349-V373 HydrophobicContact CB-CG1 3.96Å; D349-V373 HydrophobicContact CB-CG2 3.75Å; D349-R385 IonicContact OD1-CZ 3.73Å; D349-R385 VanDerWaalsContact OD1-CZ 3.28Å; D349-R385 IonicContact OD1-NE 3.17Å; D349-R385 PolarHBondContact OD1-NE 3.13Å; D349-R385 VanDerWaalsContact OD1-NE 3.08Å; D349-R385 IonicContact OD1-NH2 3.3Å; D349-R385 PolarHBondContact OD1-NH2 3.4Å; D349-R385 IonicContact OD2-CZ 3.3Å; D349-R385 IonicContact OD2-NE 2.67Å; D349-R385 PolarHBondContact OD2-NE 3.15Å; D349-R385 IonicContact OD2-NH2 3.51Å
350	W	98.9	Very high	97.7	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.011	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-34.8	178.3	-67.8	124.8	0	0	0	112.6	F51 L84 Y87 L100 I293 V329 M345 I347 T348 L354 I377	F51-W350 HydrophobicContact CE2-CB 4.13Å; F51-W350 AromaticContact CE2-CD1 3.66Å; F51-W350 AromaticContact CE2-CD2 3.85Å; F51-W350 HydrophobicContact CE2-CD2 3.85Å; F51-W350 AromaticContact CE2-CG 3.62Å; F51-W350 HydrophobicContact CE2-CG 3.62Å; F51-W350 AromaticContact CE2-NE1 3.91Å; F51-W350 AromaticContact CZ-CD1 3.77Å; F51-W350 HydrophobicContact CZ-CG 4.21Å; F51-W350 AromaticContact CZ-NE1 3.85Å; L84-W350 HydrophobicContact CD1-CH2 4.03Å; L84-W350 HydrophobicContact CD1-CZ2 3.78Å; Y87-W350 HydrophobicContact CE2-CZ2 4.39Å; Y87-W350 AromaticContact CE2-NE1 3.54Å; Y87-W350 AromaticContact CZ-NE1 3.57Å; Y87-W350 PolarHBondContact OH-NE1 3.02Å; L100-W350 HydrophobicContact CD1-CB 3.73Å; L100-W350 HydrophobicContact CD1-CG 4.07Å; I293-W350 HydrophobicContact CG1-CE3 4.43Å; I293-W350 HydrophobicContact CG1-CH2 4.24Å; I293-W350 HydrophobicContact CG1-CZ3 4Å; I293-W350 HydrophobicContact CG2-CD2 4.42Å; I293-W350 HydrophobicContact CG2-CE3 4.49Å; I293-W350 HydrophobicContact CG2-CH2 3.71Å; I293-W350 HydrophobicContact CG2-CZ2 3.57Å; I293-W350 HydrophobicContact CG2-CZ3 4.17Å; V329-W350 HydrophobicContact CG2-CH2 3.57Å; V329-W350 HydrophobicContact CG2-CZ3 4.23Å; M345-W350 HydrophobicContact CE-CH2 3.91Å; M345-W350 HydrophobicContact CE-CZ2 4.01Å; I347-W350 PolarHBondContact O-N 2.97Å; T348-W350 PolarHBondContact O-N 2.92Å; W350-L354 HydrophobicContact CB-CD1 4.25Å; W350-L354 WeakPolarHBondContact O-CB 3.42Å; W350-L354 WeakPolarHBondContact O-CG 3.25Å; W350-L354 PolarHBondContact O-N 2.83Å; W350-I377 HydrophobicContact CH2-CD1 3.83Å; W350-I377 HydrophobicContact CZ3-CD1 3.74Å
351	Y	98.7	Very high	97.2	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-63.6	179.8	-174.2	-68.6	0	0	0	112	L101 T102 V129 L131 K134 T348 D349 T353 L354 V355 L368	L101-Y351 WeakPolarHBondContact O-CD2 3.5Å; L101-Y351 WeakPolarHBondContact O-CE2 3.31Å; T102-Y351 WeakPolarHBondContact O-CD2 3.43Å; V129-Y351 WeakPolarHBondContact O-CE2 3.43Å; V129-Y351 PolarHBondContact O-OH 3.1Å; L131-Y351 HydrophobicContact CB-CD2 3.72Å; L131-Y351 HydrophobicContact CB-CE2 4.03Å; L131-Y351 HydrophobicContact CB-CG 4.5Å; K134-Y351 HydrophobicContact CG-CE1 4.18Å; K134-Y351 WeakPolarHBondContact CG-OH 3.39Å; T348-Y351 PolarHBondContact O-N 3.08Å; D349-Y351 VanDerWaalsContact C-N 3.26Å; D349-Y351 PolarHBondContact O-N 2.84Å; Y351-T353 VanDerWaalsContact C-N 3.31Å; Y351-T353 PolarHBondContact O-N 2.71Å; Y351-L354 PolarHBondContact O-N 3.02Å; Y351-V355 HydrophobicContact CD1-CG2 4.17Å; Y351-V355 HydrophobicContact CE1-CG2 4.07Å; Y351-V355 VanDerWaalsContact O-CG2 3.3Å; Y351-V355 WeakPolarHBondContact O-CG2 3.47Å; Y351-V355 PolarHBondContact O-N 3.37Å; Y351-L368 HydrophobicContact CD1-CD1 3.98Å; Y351-L368 HydrophobicContact CD1-CD2 3.99Å; Y351-L368 HydrophobicContact CE1-CD1 4.14Å; Y351-L368 HydrophobicContact CE1-CD2 4.01Å
352	P	98.3	Very high	96.6	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.039	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-32.2	-179.5	26.2	-35.7	0	0	0	112.9	T348 D349 G356 T362 L368 Y371	T348-P352 VanDerWaalsContact O-CD 3.31Å; T348-P352 WeakPolarHBondContact O-CD 3.38Å; D349-P352 WeakPolarHBondContact O-CD 3.28Å; D349-P352 WeakPolarHBondContact O-CG 3.4Å; P352-G356 PolarHBondContact O-N 2.85Å; P352-T362 HydrophobicContact CB-CG2 4.04Å; P352-L368 HydrophobicContact CB-CD1 4.24Å; P352-Y371 VanDerWaalsContact CG-C 3.42Å; P352-Y371 WeakPolarHBondContact CG-O 3.43Å
353	T	98.6	Very high	95.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-46.2	176.8	-59.9	0	0	0	0	111.7	D349 Y351 G356 L357 Y371 V373 W374	D349-T353 WeakPolarHBondContact O-CB 3.34Å; D349-T353 PolarHBondContact O-N 3.15Å; D349-T353 VanDerWaalsContact O-N 3.1Å; D349-T353 PolarHBondContact O-OG1 2.64Å; Y351-T353 VanDerWaalsContact C-N 3.31Å; Y351-T353 PolarHBondContact O-N 2.71Å; T353-G356 PolarHBondContact O-N 3.36Å; T353-L357 HydrophobicContact CG2-CD1 4.5Å; T353-L357 WeakPolarHBondContact O-CG 3.23Å; T353-L357 PolarHBondContact O-N 3.37Å; T353-Y371 PolarHBondContact OG1-O 2.65Å; T353-V373 HydrophobicContact CG2-CG2 4.48Å; T353-V373 WeakPolarHBondContact OG1-CG2 3.29Å; T353-V373 PolarHBondContact OG1-N 3.3Å; T353-W374 HydrophobicContact CG2-CB 3.9Å
354	L	98.8	Very high	94.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-76.6	-35.2	-177	-65.3	178.5	0	0	0	111.9	I49 F51 L131 I293 W350 Y351 L357 A358	I49-L354 HydrophobicContact CD1-CB 4.22Å; I49-L354 HydrophobicContact CD1-CD2 4.24Å; I49-L354 HydrophobicContact CG1-CD2 4.44Å; I49-L354 HydrophobicContact CG2-CD1 4.05Å; I49-L354 HydrophobicContact CG2-CD2 3.76Å; I49-L354 HydrophobicContact CG2-CG 4.41Å; F51-L354 HydrophobicContact CD2-CD1 4.08Å; L131-L354 HydrophobicContact CD1-CB 4.03Å; L131-L354 HydrophobicContact CD2-CD1 3.78Å; I293-L354 HydrophobicContact CD1-CD2 4.02Å; W350-L354 HydrophobicContact CB-CD1 4.25Å; W350-L354 WeakPolarHBondContact O-CB 3.42Å; W350-L354 WeakPolarHBondContact O-CG 3.25Å; W350-L354 PolarHBondContact O-N 2.83Å; Y351-L354 PolarHBondContact O-N 3.02Å; L354-L357 HydrophobicContact CD2-CD1 4.15Å; L354-L357 PolarHBondContact O-N 2.82Å; L354-A358 WeakPolarHBondContact O-CB 3.33Å; L354-A358 PolarHBondContact O-N 3.15Å
355	V	97.9	Very high	92.4	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-43.9	170.7	174.1	0	0	0	0	110.8	L131 K134 Y351 A358 G359 G360 T362	L131-V355 HydrophobicContact CD1-CG2 3.83Å; K134-V355 HydrophobicContact CB-CG2 3.69Å; K134-V355 HydrophobicContact CG-CG2 4.3Å; Y351-V355 HydrophobicContact CD1-CG2 4.17Å; Y351-V355 HydrophobicContact CE1-CG2 4.07Å; Y351-V355 VanDerWaalsContact O-CG2 3.3Å; Y351-V355 WeakPolarHBondContact O-CG2 3.47Å; Y351-V355 PolarHBondContact O-N 3.37Å; V355-A358 WeakPolarHBondContact O-CB 3.28Å; V355-A358 PolarHBondContact O-N 2.85Å; V355-G359 PolarHBondContact O-N 2.95Å; V355-G360 WeakPolarHBondContact O-CA 3.47Å; V355-G360 PolarHBondContact O-N 3.2Å; V355-T362 HydrophobicContact CB-CG2 4.12Å; V355-T362 HydrophobicContact CG1-CG2 3.92Å
356	G	96.6	Very high	91.3	Very high	35 Å²	35	32.5 Å²	32.5	36%	0.361	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-42	176.4	0	0	0	0	0	113	P352 T353 A358 G359	P352-G356 PolarHBondContact O-N 2.85Å; T353-G356 PolarHBondContact O-N 3.36Å; G356-A358 VanDerWaalsContact C-N 3.26Å; G356-A358 PolarHBondContact O-N 3.48Å; G356-G359 PolarHBondContact O-N 3.26Å
357	L	97.1	Very high	90.8	Very high	31 Å²	31	34 Å²	34	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-33.9	173.5	-81.6	173.1	0	0	0	113.1	P47 V291 T353 L354 G359 W374	P47-L357 VanDerWaalsContact CD-O 3.29Å; P47-L357 WeakPolarHBondContact CD-O 3.28Å; P47-L357 HydrophobicContact CG-CB 4.27Å; P47-L357 HydrophobicContact CG-CD2 4.47Å; V291-L357 HydrophobicContact CG2-CD1 4.36Å; T353-L357 HydrophobicContact CG2-CD1 4.5Å; T353-L357 WeakPolarHBondContact O-CG 3.23Å; T353-L357 PolarHBondContact O-N 3.37Å; L354-L357 HydrophobicContact CD2-CD1 4.15Å; L354-L357 PolarHBondContact O-N 2.82Å; L357-G359 PolarHBondContact O-N 2.82Å; L357-W374 HydrophobicContact CD1-CD2 4.04Å; L357-W374 HydrophobicContact CD1-CE3 3.81Å; L357-W374 HydrophobicContact CD1-CZ3 4.08Å; L357-W374 HydrophobicContact CD2-CD2 3.81Å; L357-W374 HydrophobicContact CD2-CE3 4.39Å; L357-W374 HydrophobicContact CD2-CG 3.95Å; L357-W374 HydrophobicContact CD2-CZ2 4.15Å; L357-W374 HydrophobicContact CG-CD2 4.24Å; L357-W374 HydrophobicContact CG-CE3 4.5Å; L357-W374 HydrophobicContact CG-CG 4.32Å
358	A	96.9	Very high	90.7	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.8	175.8	0	0	0	0	0	113.6	L135 A138 Y140 L354 V355 G356 G360	L135-A358 HydrophobicContact CD2-CB 3.46Å; L135-A358 VanDerWaalsContact CD2-CB 3.46Å; A138-A358 HydrophobicContact CB-CB 4Å; Y140-A358 HydrophobicContact CD2-CB 4.12Å; Y140-A358 HydrophobicContact CE2-CB 3.33Å; Y140-A358 WeakPolarHBondContact OH-CA 3.47Å; L354-A358 WeakPolarHBondContact O-CB 3.33Å; L354-A358 PolarHBondContact O-N 3.15Å; V355-A358 WeakPolarHBondContact O-CB 3.28Å; V355-A358 PolarHBondContact O-N 2.85Å; G356-A358 VanDerWaalsContact C-N 3.26Å; G356-A358 PolarHBondContact O-N 3.48Å; A358-G360 PolarHBondContact O-N 2.9Å
359	G	94.4	Very high	90.7	Very high	67 Å²	67	37 Å²	37	69%	0.691	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	11	-173.1	0	0	0	0	0	113.7	V355 G356 L357	V355-G359 PolarHBondContact O-N 2.95Å; G356-G359 PolarHBondContact O-N 3.26Å; L357-G359 PolarHBondContact O-N 2.82Å
360	G	91.9	Very high	90.6	Very high	26 Å²	26	37.5 Å²	37.5	27%	0.268	28%	0.281	S	S	.	.			trans	-78.2	166.7	172.6	0	0	0	0	0	112.1	V355 A358	V355-G360 WeakPolarHBondContact O-CA 3.47Å; V355-G360 PolarHBondContact O-N 3.2Å; A358-G360 PolarHBondContact O-N 2.9Å
361	T	87.4	Confident	90.5	Very high	122 Å²	122	41.7 Å²	41.7	75%	0.748	30%	0.297	S	S	*	.			trans	-113.1	134.7	178.8	55.1	0	0	0	0	110.8
362	T	84.9	Confident	90.5	Very high	65 Å²	65	44.9 Å²	44.9	40%	0.399	32%	0.315	S	S	.	.			trans	-103.2	144.1	165.2	54.8	0	0	0	0	108.9	P352 V355 D366 L368	P352-T362 HydrophobicContact CB-CG2 4.04Å; V355-T362 HydrophobicContact CB-CG2 4.12Å; V355-T362 HydrophobicContact CG1-CG2 3.92Å; T362-D366 WeakPolarHBondContact CA-OD2 3.49Å; T362-L368 HydrophobicContact CG2-CD1 3.83Å
363	S	75.9	Confident	90.5	Very high	56 Å²	56	44.6 Å²	44.6	39%	0.392	31%	0.313	S	S	.	.			trans	-117.3	154.2	-179.5	90.7	0	0	0	0	111	A365 D366	S363-A365 PolarHBondContact O-N 3.03Å; S363-A365 WeakPolarHBondContact OG-CB 3.27Å; S363-A365 PolarHBondContact OG-N 3.33Å; S363-D366 PolarHBondContact N-OD2 3.05Å; S363-D366 WeakPolarHBondContact O-CB 3.34Å; S363-D366 VanDerWaalsContact O-CG 3.29Å; S363-D366 PolarHBondContact O-N 2.8Å; S363-D366 PolarHBondContact OG-N 3.23Å; S363-D366 PolarHBondContact OG-OD1 3.42Å
364	A	66.8	Low	90.5	Very high	109 Å²	109	46.5 Å²	46.5	90%	0.901	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-61.1	-25.4	172.7	0	0	0	0	0	112.4	D366 G367	A364-D366 PolarHBondContact O-N 2.99Å; A364-G367 PolarHBondContact O-N 3.4Å
365	A	63.2	Low	90.5	Very high	97 Å²	97	48.5 Å²	48.5	80%	0.802	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-68.5	-17.6	175.4	0	0	0	0	0	112.8	S363 G367	S363-A365 PolarHBondContact O-N 3.03Å; S363-A365 WeakPolarHBondContact OG-CB 3.27Å; S363-A365 PolarHBondContact OG-N 3.33Å; A365-G367 PolarHBondContact O-N 3.13Å
366	D	76.8	Confident	90.5	Very high	52 Å²	52	48.4 Å²	48.4	28%	0.278	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-71.7	-13.9	178.4	-55	-9.5	0	0	0	111.7	T362 S363 A364 L368	T362-D366 WeakPolarHBondContact CA-OD2 3.49Å; S363-D366 PolarHBondContact N-OD2 3.05Å; S363-D366 WeakPolarHBondContact O-CB 3.34Å; S363-D366 VanDerWaalsContact O-CG 3.29Å; S363-D366 PolarHBondContact O-N 2.8Å; S363-D366 PolarHBondContact OG-N 3.23Å; S363-D366 PolarHBondContact OG-OD1 3.42Å; A364-D366 PolarHBondContact O-N 2.99Å; D366-L368 HydrophobicContact CB-CD1 4.35Å; D366-L368 HydrophobicContact CB-CD2 4.41Å; D366-L368 HydrophobicContact CB-CG 3.91Å; D366-L368 PolarHBondContact O-N 3.24Å
367	G	88.1	Confident	90.6	Very high	31 Å²	31	46.8 Å²	46.8	32%	0.32	32%	0.316	S	S	.	.			trans	58.7	35.9	174.9	0	0	0	0	0	113.4	R104 A364 A365	R104-G367 PolarHBondContact NE-O 2.88Å; A364-G367 PolarHBondContact O-N 3.4Å; A365-G367 PolarHBondContact O-N 3.13Å
368	L	96.1	Very high	90.6	Very high	40 Å²	40	45.3 Å²	45.3	21%	0.209	31%	0.308	C	S	.	.			trans	-71.9	143.8	179.7	-61.1	177.3	0	0	0	111.2	T102 R104 Y351 P352 T362 D366	T102-L368 VanDerWaalsContact O-CD2 3.26Å; T102-L368 WeakPolarHBondContact O-CD2 3.25Å; R104-L368 HydrophobicContact CG-CD2 4.31Å; Y351-L368 HydrophobicContact CD1-CD1 3.98Å; Y351-L368 HydrophobicContact CD1-CD2 3.99Å; Y351-L368 HydrophobicContact CE1-CD1 4.14Å; Y351-L368 HydrophobicContact CE1-CD2 4.01Å; P352-L368 HydrophobicContact CB-CD1 4.24Å; T362-L368 HydrophobicContact CG2-CD1 3.83Å; D366-L368 HydrophobicContact CB-CD1 4.35Å; D366-L368 HydrophobicContact CB-CD2 4.41Å; D366-L368 HydrophobicContact CB-CG 3.91Å; D366-L368 PolarHBondContact O-N 3.24Å
369	D	97.9	Very high	90.7	Very high	24 Å²	24	47.1 Å²	47.1	13%	0.128	32%	0.316	C	S	.	.	S	Bend	trans	-99.5	-5.4	172.4	-63.5	-65.3	0	0	0	112.2	G103 R104 Y105 H108 R385	G103-D369 PolarHBondContact O-N 2.95Å; R104-D369 VanDerWaalsContact CA-OD2 3.28Å; R104-D369 WeakPolarHBondContact CA-OD2 3.4Å; Y105-D369 HydrophobicContact CD1-CB 4.49Å; Y105-D369 HydrophobicContact CD2-CB 3.45Å; Y105-D369 VanDerWaalsContact CD2-CB 3.45Å; Y105-D369 WeakPolarHBondContact CD2-OD1 3.36Å; Y105-D369 HydrophobicContact CE2-CB 3.58Å; Y105-D369 HydrophobicContact CG-CB 3.93Å; Y105-D369 PolarHBondContact N-OD2 3.04Å; H108-D369 IonicContact CE1-OD1 3.91Å; H108-D369 PolarHBondContact CE1-OD1 2.87Å; H108-D369 IonicContact CE1-OD2 3.65Å; H108-D369 IonicContact CG-OD2 3.02Å; H108-D369 IonicContact ND1-OD1 3.11Å; H108-D369 PolarHBondContact ND1-OD1 2.87Å; H108-D369 IonicContact ND1-OD2 3.61Å; H108-D369 PolarHBondContact ND1-OD2 3.25Å; D369-R385 PolarHBondContact O-NH2 3.38Å
370	G	97.3	Very high	90.9	Very high	11 Å²	11	45.3 Å²	45.3	11%	0.113	30%	0.297	C	S	.	.			trans	-91.4	160.5	176.2	0	0	0	0	0	113.5	G103 D349	G103-G370 PolarHBondContact O-N 2.95Å; D349-G370 WeakPolarHBondContact OD1-CA 3.47Å
371	Y	97.4	Very high	91.1	Very high	90 Å²	90	51.3 Å²	51.3	35%	0.353	31%	0.312	S	S	.	.			trans	-122.7	151.7	174	-57.1	-91.1	0	0	0	110.9	D349 P352 T353 V373 P384 R385	D349-Y371 WeakPolarHBondContact CA-O 3.39Å; D349-Y371 WeakPolarHBondContact CB-O 3.14Å; D349-Y371 PolarHBondContact OD1-N 2.66Å; P352-Y371 VanDerWaalsContact CG-C 3.42Å; P352-Y371 WeakPolarHBondContact CG-O 3.43Å; T353-Y371 PolarHBondContact OG1-O 2.65Å; Y371-V373 PolarHBondContact O-N 2.69Å; Y371-P384 HydrophobicContact CD1-CB 4.23Å; Y371-P384 HydrophobicContact CD1-CG 4.49Å; Y371-P384 HydrophobicContact CG-CB 4.37Å; Y371-P384 HydrophobicContact CG-CG 4.18Å; Y371-R385 HydrophobicContact CD2-CB 3.89Å; Y371-R385 HydrophobicContact CD2-CG 4.35Å; Y371-R385 HydrophobicContact CE2-CB 4.23Å; Y371-R385 HydrophobicContact CE2-CG 4.35Å
372	D	97.8	Very high	91.6	Very high	72 Å²	72	49.8 Å²	49.8	39%	0.385	31%	0.312	S	S	.	.			trans	-68.8	112.3	165.3	175.9	14.3	0	0	0	109.6	W374	D372-W374 WeakPolarHBondContact OD1-CB 3.28Å; D372-W374 PolarHBondContact OD1-N 3.23Å
373	V	98.4	Very high	92.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	30%	0.3	C	S	.	.			trans	-109.9	10.5	-178.7	-62.8	0	0	0	0	112.3	M345 D349 T353 Y371 A376 I377 P384	M345-V373 HydrophobicContact CE-CG2 3.81Å; M345-V373 HydrophobicContact CG-CB 4.38Å; M345-V373 HydrophobicContact CG-CG1 4.44Å; M345-V373 HydrophobicContact CG-CG2 4.27Å; M345-V373 HydrophobicContact SD-CG2 4.38Å; D349-V373 HydrophobicContact CB-CG1 3.96Å; D349-V373 HydrophobicContact CB-CG2 3.75Å; T353-V373 HydrophobicContact CG2-CG2 4.48Å; T353-V373 WeakPolarHBondContact OG1-CG2 3.29Å; T353-V373 PolarHBondContact OG1-N 3.3Å; Y371-V373 PolarHBondContact O-N 2.69Å; V373-A376 WeakPolarHBondContact O-CB 3.32Å; V373-A376 PolarHBondContact O-N 2.62Å; V373-A376 VanDerWaalsContact O-N 3.08Å; V373-I377 HydrophobicContact CG2-CD1 3.93Å; V373-I377 HydrophobicContact CG2-CG1 4.49Å; V373-I377 WeakPolarHBondContact O-CG1 3.23Å; V373-I377 PolarHBondContact O-N 2.96Å; V373-P384 HydrophobicContact CG1-CG 4.13Å
374	W	98.5	Very high	93.3	Very high	41 Å²	41	48.1 Å²	48.1	16%	0.155	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-43	177.4	-175.9	-116.6	0	0	0	113.2	V291 V329 L334 T353 L357 D372 A376 I377 S378	V291-W374 HydrophobicContact CG1-CH2 4.04Å; V291-W374 HydrophobicContact CG1-CZ3 3.85Å; V291-W374 HydrophobicContact CG2-CH2 3.91Å; V291-W374 HydrophobicContact CG2-CZ3 4.41Å; V329-W374 HydrophobicContact CG1-CZ3 4.21Å; L334-W374 HydrophobicContact CD2-CH2 3.88Å; L334-W374 HydrophobicContact CD2-CZ2 4.46Å; L334-W374 HydrophobicContact CD2-CZ3 4.25Å; L334-W374 HydrophobicContact CG-CH2 4.49Å; T353-W374 HydrophobicContact CG2-CB 3.9Å; L357-W374 HydrophobicContact CD1-CD2 4.04Å; L357-W374 HydrophobicContact CD1-CE3 3.81Å; L357-W374 HydrophobicContact CD1-CZ3 4.08Å; L357-W374 HydrophobicContact CD2-CD2 3.81Å; L357-W374 HydrophobicContact CD2-CE3 4.39Å; L357-W374 HydrophobicContact CD2-CG 3.95Å; L357-W374 HydrophobicContact CD2-CZ2 4.15Å; L357-W374 HydrophobicContact CG-CD2 4.24Å; L357-W374 HydrophobicContact CG-CE3 4.5Å; L357-W374 HydrophobicContact CG-CG 4.32Å; D372-W374 WeakPolarHBondContact OD1-CB 3.28Å; D372-W374 PolarHBondContact OD1-N 3.23Å; W374-A376 VanDerWaalsContact C-N 3.28Å; W374-A376 PolarHBondContact O-N 3.11Å; W374-I377 HydrophobicContact CE3-CB 4.42Å; W374-I377 HydrophobicContact CE3-CD1 4.49Å; W374-I377 HydrophobicContact CE3-CG2 4.43Å; W374-I377 HydrophobicContact CZ3-CG2 4.33Å; W374-I377 PolarHBondContact O-N 3.2Å; W374-S378 VanDerWaalsContact O-CB 3.28Å; W374-S378 WeakPolarHBondContact O-CB 3.19Å; W374-S378 PolarHBondContact O-N 3.36Å
375	P	98.4	Very high	94.8	Very high	42 Å²	42	43.2 Å²	43.2	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-35	176.4	-23.4	34.9	0	0	0	113	E379 G380 R381	P375-E379 WeakPolarHBondContact O-CA 3.21Å; P375-E379 WeakPolarHBondContact O-CB 3.05Å; P375-E379 PolarHBondContact O-N 2.78Å; P375-G380 PolarHBondContact O-N 3.28Å; P375-R381 HydrophobicContact CB-CB 4.47Å; P375-R381 HydrophobicContact CB-CG 4.47Å; P375-R381 PolarHBondContact O-N 3.1Å
376	A	98.4	Very high	96.4	Very high	1 Å²	1	43 Å²	43	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-68.6	-41.8	176	0	0	0	0	0	111.3	R339 A343 V373 W374 G380 R381	R339-A376 PolarHBondContact NH2-O 3.36Å; A343-A376 HydrophobicContact CB-CB 4.07Å; V373-A376 WeakPolarHBondContact O-CB 3.32Å; V373-A376 PolarHBondContact O-N 2.62Å; V373-A376 VanDerWaalsContact O-N 3.08Å; W374-A376 VanDerWaalsContact C-N 3.28Å; W374-A376 PolarHBondContact O-N 3.11Å; A376-G380 VanDerWaalsContact O-CA 3.28Å; A376-G380 WeakPolarHBondContact O-CA 3.27Å; A376-G380 PolarHBondContact O-N 2.92Å; A376-R381 WeakPolarHBondContact CA-O 3.43Å; A376-R381 WeakPolarHBondContact CB-O 3.3Å
377	I	98.6	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-62.4	176.2	-63	164.5	0	0	0	110.3	V82 V329 L334 R339 M345 W350 V373 W374	V82-I377 HydrophobicContact CB-CG2 4.46Å; V329-I377 HydrophobicContact CB-CG2 3.94Å; V329-I377 HydrophobicContact CG1-CG2 4.17Å; V329-I377 HydrophobicContact CG2-CD1 4.34Å; V329-I377 HydrophobicContact CG2-CG2 3.92Å; L334-I377 HydrophobicContact CD2-CG2 3.86Å; R339-I377 PolarHBondContact NH2-O 2.88Å; M345-I377 HydrophobicContact CE-CD1 3.58Å; M345-I377 HydrophobicContact CE-CG1 3.75Å; M345-I377 HydrophobicContact SD-CD1 4.31Å; M345-I377 HydrophobicContact SD-CG1 3.81Å; W350-I377 HydrophobicContact CH2-CD1 3.83Å; W350-I377 HydrophobicContact CZ3-CD1 3.74Å; V373-I377 HydrophobicContact CG2-CD1 3.93Å; V373-I377 HydrophobicContact CG2-CG1 4.49Å; V373-I377 WeakPolarHBondContact O-CG1 3.23Å; V373-I377 PolarHBondContact O-N 2.96Å; W374-I377 HydrophobicContact CE3-CB 4.42Å; W374-I377 HydrophobicContact CE3-CD1 4.49Å; W374-I377 HydrophobicContact CE3-CG2 4.43Å; W374-I377 HydrophobicContact CZ3-CG2 4.33Å; W374-I377 PolarHBondContact O-N 3.2Å
378	S	98.6	Very high	98	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-72.4	-38.2	-167.2	-173.8	0	0	0	0	113.5	K335 R336 W374	K335-S378 PolarHBondContact N-O 3Å; K335-S378 PolarHBondContact N-OG 3.47Å; R336-S378 PolarHBondContact N-O 2.9Å; W374-S378 VanDerWaalsContact O-CB 3.28Å; W374-S378 WeakPolarHBondContact O-CB 3.19Å; W374-S378 PolarHBondContact O-N 3.36Å
379	E	98.3	Very high	98.1	Very high	42 Å²	42	38.6 Å²	38.6	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-109.9	-12	-173.5	-41.8	-168.1	171.2	0	0	113	K335 R336 P375 R381	K335-E379 HydrophobicContact CB-CG 4.49Å; K335-E379 HydrophobicContact CD-CG 3.94Å; K335-E379 WeakPolarHBondContact CE-OE1 3.07Å; K335-E379 HydrophobicContact CG-CG 4.47Å; K335-E379 IonicContact NZ-OE1 3.15Å; K335-E379 PolarHBondContact NZ-OE1 3.3Å; R336-E379 WeakPolarHBondContact CD-O 3.22Å; R336-E379 PolarHBondContact NH1-O 2.86Å; P375-E379 WeakPolarHBondContact O-CA 3.21Å; P375-E379 WeakPolarHBondContact O-CB 3.05Å; P375-E379 PolarHBondContact O-N 2.78Å; E379-R381 HydrophobicContact CB-CG 4.2Å; E379-R381 IonicContact OE1-NH2 3.9Å; E379-R381 IonicContact OE2-CZ 3.11Å; E379-R381 IonicContact OE2-NE 2.75Å; E379-R381 PolarHBondContact OE2-NE 3.16Å; E379-R381 IonicContact OE2-NH2 2.73Å; E379-R381 PolarHBondContact OE2-NH2 3.25Å
380	G	97.5	Very high	98.1	Very high	30 Å²	30	37.5 Å²	37.5	31%	0.309	21%	0.211	S	C	.	.			trans	72.6	28.2	-174.6	0	0	0	0	0	113.5	P375 A376	P375-G380 PolarHBondContact O-N 3.28Å; A376-G380 VanDerWaalsContact O-CA 3.28Å; A376-G380 WeakPolarHBondContact O-CA 3.27Å; A376-G380 PolarHBondContact O-N 2.92Å
381	R	97.9	Very high	98.2	Very high	151 Å²	151	37.2 Å²	37.2	57%	0.57	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-68.6	166.3	169.5	-64.9	-171.8	-166.6	-169.6	1.6	111.1	P375 A376 E379	P375-R381 HydrophobicContact CB-CB 4.47Å; P375-R381 HydrophobicContact CB-CG 4.47Å; P375-R381 PolarHBondContact O-N 3.1Å; A376-R381 WeakPolarHBondContact CA-O 3.43Å; A376-R381 WeakPolarHBondContact CB-O 3.3Å; E379-R381 HydrophobicContact CB-CG 4.2Å; E379-R381 IonicContact OE1-NH2 3.9Å; E379-R381 IonicContact OE2-CZ 3.11Å; E379-R381 IonicContact OE2-NE 2.75Å; E379-R381 PolarHBondContact OE2-NE 3.16Å; E379-R381 IonicContact OE2-NH2 2.73Å; E379-R381 PolarHBondContact OE2-NH2 3.25Å
382	A	97.4	Very high	98.2	Very high	91 Å²	91	33.1 Å²	33.1	75%	0.752	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-60.1	145.7	169.9	0	0	0	0	0	110.6
383	S	98.1	Very high	98.2	Very high	21 Å²	21	29.9 Å²	29.9	15%	0.147	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-69.3	138.8	172.6	-168.6	0	0	0	0	109.9	L344 R385	L344-S383 VanDerWaalsContact O-CB 3.25Å; L344-S383 WeakPolarHBondContact O-CB 3.32Å; L344-S383 PolarHBondContact O-OG 3.05Å; S383-R385 PolarHBondContact O-N 3.06Å; S383-R385 WeakPolarHBondContact OG-CB 3.26Å; S383-R385 PolarHBondContact OG-N 3.28Å; S383-R385 VanDerWaalsContact OG-N 3.13Å
384	P	97.8	Very high	97.8	Very high	65 Å²	65	32.4 Å²	32.4	42%	0.422	19%	0.19	S	C	.	.	S	Bend	trans	-65.4	-21.7	165.2	29.2	-36.5	0	0	0	112.3	Y371 V373	Y371-P384 HydrophobicContact CD1-CB 4.23Å; Y371-P384 HydrophobicContact CD1-CG 4.49Å; Y371-P384 HydrophobicContact CG-CB 4.37Å; Y371-P384 HydrophobicContact CG-CG 4.18Å; V373-P384 HydrophobicContact CG1-CG 4.13Å
385	R	98	Very high	97.3	Very high	6 Å²	6	35 Å²	35	2%	0.023	21%	0.206	C	C	.	.			trans	-79.3	124.4	179.9	178.3	177.4	-76	-70	-0.7	111.1	Y105 L344 T348 D349 D369 Y371 S383 E387 I388	Y105-R385 PolarHBondContact OH-NH1 2.85Å; L344-R385 HydrophobicContact CD2-CG 4Å; L344-R385 HydrophobicContact CG-CG 3.93Å; T348-R385 PolarHBondContact OG1-NH2 3.14Å; T348-R385 VanDerWaalsContact OG1-NH2 3.11Å; D349-R385 IonicContact OD1-CZ 3.73Å; D349-R385 VanDerWaalsContact OD1-CZ 3.28Å; D349-R385 IonicContact OD1-NE 3.17Å; D349-R385 PolarHBondContact OD1-NE 3.13Å; D349-R385 VanDerWaalsContact OD1-NE 3.08Å; D349-R385 IonicContact OD1-NH2 3.3Å; D349-R385 PolarHBondContact OD1-NH2 3.4Å; D349-R385 IonicContact OD2-CZ 3.3Å; D349-R385 IonicContact OD2-NE 2.67Å; D349-R385 PolarHBondContact OD2-NE 3.15Å; D349-R385 IonicContact OD2-NH2 3.51Å; D369-R385 PolarHBondContact O-NH2 3.38Å; Y371-R385 HydrophobicContact CD2-CB 3.89Å; Y371-R385 HydrophobicContact CD2-CG 4.35Å; Y371-R385 HydrophobicContact CE2-CB 4.23Å; Y371-R385 HydrophobicContact CE2-CG 4.35Å; S383-R385 PolarHBondContact O-N 3.06Å; S383-R385 WeakPolarHBondContact OG-CB 3.26Å; S383-R385 PolarHBondContact OG-N 3.28Å; S383-R385 VanDerWaalsContact OG-N 3.13Å; R385-E387 WeakPolarHBondContact CG-O 3.48Å; R385-E387 PolarHBondContact NH1-O 3.18Å; R385-I388 HydrophobicContact CG-CG1 4.35Å
386	T	97.9	Very high	96.4	Very high	91 Å²	91	36.7 Å²	36.7	56%	0.558	21%	0.208	S	C	*	.			trans	-114.2	-15.4	174.9	57.2	0	0	0	0	113.3	G422	T386-G422 PolarHBondContact O-N 3.31Å
387	E	98.3	Very high	95.2	Very high	30 Å²	30	42.5 Å²	42.5	14%	0.14	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.2	-178.5	60	176.6	-166.1	0	0	112.4	R385 R420 V421 R491 Y495	R385-E387 WeakPolarHBondContact CG-O 3.48Å; R385-E387 PolarHBondContact NH1-O 3.18Å; E387-R420 CarbonylContact C-O 3.52Å; E387-R420 WeakPolarHBondContact CA-O 3.41Å; E387-V421 HydrophobicContact CB-CB 4.42Å; E387-V421 HydrophobicContact CB-CG1 4.35Å; E387-V421 HydrophobicContact CB-CG2 3.97Å; E387-R491 IonicContact OE1-CZ 3.25Å; E387-R491 IonicContact OE1-NH2 2.67Å; E387-R491 PolarHBondContact OE1-NH2 2.92Å; E387-R491 IonicContact OE2-CZ 2.66Å; E387-R491 IonicContact OE2-NE 3.28Å; E387-R491 PolarHBondContact OE2-NE 3.39Å; E387-R491 VanDerWaalsContact OE2-NE 3.15Å; E387-R491 IonicContact OE2-NH2 2.92Å; E387-R491 PolarHBondContact OE2-NH2 2.73Å; E387-Y495 WeakPolarHBondContact CG-OH 3.42Å; E387-Y495 PolarHBondContact OE1-OH 3.27Å
388	I	98.7	Very high	94	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	121.2	175	-62.9	175.5	0	0	0	107.8	Y88 L344 H346 R385 I419 R420	Y88-I388 HydrophobicContact CD2-CD1 3.68Å; Y88-I388 HydrophobicContact CG-CD1 3.89Å; L344-I388 HydrophobicContact CD1-CD1 3.51Å; L344-I388 HydrophobicContact CD1-CG1 4.35Å; L344-I388 HydrophobicContact CD2-CD1 4.42Å; L344-I388 HydrophobicContact CD2-CG1 4.4Å; L344-I388 HydrophobicContact CG-CD1 4.01Å; L344-I388 HydrophobicContact CG-CG1 4.42Å; H346-I388 HydrophobicContact CB-CD1 3.94Å; H346-I388 HydrophobicContact CB-CG1 4.18Å; R385-I388 HydrophobicContact CG-CG1 4.35Å; I388-I419 CarbonylContact O-C 3.51Å; I388-I419 WeakPolarHBondContact O-CA 3.32Å; I388-I419 WeakPolarHBondContact O-CG1 3.17Å; I388-R420 HydrophobicContact CB-CB 4.43Å; I388-R420 PolarHBondContact N-O 3.5Å; I388-R420 PolarHBondContact O-N 3.01Å
389	L	98.8	Very high	92.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.8	157	-177.1	68	0	0	0	107.9	Y105 I107 I392 I419 L492 Y495	Y105-L389 HydrophobicContact CD2-CB 4.22Å; Y105-L389 VanDerWaalsContact CE1-O 3.27Å; Y105-L389 WeakPolarHBondContact CE1-O 3.43Å; Y105-L389 HydrophobicContact CE2-CB 4Å; I107-L389 HydrophobicContact CD1-CD2 3.53Å; I107-L389 HydrophobicContact CG1-CD2 3.93Å; I107-L389 HydrophobicContact CG2-CD2 4.01Å; L389-I392 HydrophobicContact CD1-CD1 4.07Å; L389-I392 HydrophobicContact CD1-CG1 4.03Å; L389-I392 HydrophobicContact CD2-CD1 4.16Å; L389-I392 HydrophobicContact CD2-CG1 4.46Å; L389-I419 HydrophobicContact CD1-CB 4.45Å; L389-L492 HydrophobicContact CD1-CD2 3.64Å; L389-Y495 HydrophobicContact CB-CD1 4.38Å; L389-Y495 HydrophobicContact CB-CD2 4.18Å; L389-Y495 HydrophobicContact CB-CE1 4.28Å; L389-Y495 HydrophobicContact CB-CE2 4.05Å; L389-Y495 HydrophobicContact CB-CG 4.32Å; L389-Y495 HydrophobicContact CD1-CD2 4.01Å; L389-Y495 HydrophobicContact CD1-CG 4.24Å; L389-Y495 HydrophobicContact CD2-CD1 4.03Å; L389-Y495 HydrophobicContact CD2-CD2 4.41Å; L389-Y495 HydrophobicContact CD2-CG 3.88Å; L389-Y495 HydrophobicContact CG-CD2 4.44Å; L389-Y495 HydrophobicContact CG-CG 4.39Å
390	H	98.6	Very high	91.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-65.3	171.6	-67.9	-61.7	0	0	0	108.4	Y88 Q90 A418	Y88-H390 AromaticContact CD1-CE1 3.44Å; Y88-H390 VanDerWaalsContact CD1-CE1 3.44Å; Y88-H390 WeakPolarHBondContact CD1-CE1 3.43Å; Y88-H390 AromaticContact CE1-CE1 3.94Å; Q90-H390 VanDerWaalsContact CD-O 3.24Å; Q90-H390 PolarHBondContact NE2-O 3.31Å; Q90-H390 PolarHBondContact OE1-O 3.24Å; H390-A418 HydrophobicContact CB-CB 3.96Å; H390-A418 WeakPolarHBondContact CB-O 3.15Å; H390-A418 PolarHBondContact N-O 2.93Å
391	N	98.5	Very high	90.9	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.032	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	166.6	173.2	-166	28.3	0	0	0	110.8	Q112 Y318 A417 A418	Q112-N391 PolarHBondContact O-ND2 2.99Å; Y318-N391 HydrophobicContact CE1-CB 4.46Å; Y318-N391 HydrophobicContact CE2-CB 3.98Å; Y318-N391 WeakPolarHBondContact OH-CB 3.4Å; Y318-N391 PolarHBondContact OH-ND2 3.07Å; N391-A417 VanDerWaalsContact O-CA 3.25Å; N391-A417 WeakPolarHBondContact O-CA 3.4Å; N391-A418 PolarHBondContact O-N 3.28Å; N391-A418 VanDerWaalsContact O-N 3.15Å
392	I	98.3	Very high	90.3	Very high	3 Å²	3	52 Å²	52	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	107.6	166.3	-63.7	162.9	0	0	0	106.5	I107 Q112 L389 P394 W411 V415 A417 L492 N496	I107-I392 HydrophobicContact CG2-CB 4.21Å; I107-I392 HydrophobicContact CG2-CD1 4.5Å; Q112-I392 WeakPolarHBondContact CB-O 3.34Å; Q112-I392 WeakPolarHBondContact CG-O 3.36Å; L389-I392 HydrophobicContact CD1-CD1 4.07Å; L389-I392 HydrophobicContact CD1-CG1 4.03Å; L389-I392 HydrophobicContact CD2-CD1 4.16Å; L389-I392 HydrophobicContact CD2-CG1 4.46Å; I392-P394 WeakPolarHBondContact O-CD 3.32Å; I392-W411 HydrophobicContact CD1-CH2 3.92Å; I392-W411 HydrophobicContact CG1-CH2 4.07Å; I392-W411 HydrophobicContact CG1-CZ2 4.43Å; I392-W411 HydrophobicContact CG2-CH2 3.75Å; I392-W411 HydrophobicContact CG2-CZ2 4.11Å; I392-V415 HydrophobicContact CG2-CG1 4.04Å; I392-A417 HydrophobicContact CG1-CB 4.03Å; I392-L492 HydrophobicContact CD1-CD2 4.43Å; I392-L492 HydrophobicContact CG1-CD2 4.28Å; I392-N496 HydrophobicContact CD1-CB 3.98Å
393	D	96.7	Very high	90	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	100.8	178	-171.6	-5.7	0	0	0	110.7	H113 L395 Y396 Q416	H113-D393 WeakPolarHBondContact CA-OD2 3.27Å; H113-D393 IonicContact CE1-OD2 3.54Å; H113-D393 IonicContact CG-OD1 3.42Å; H113-D393 IonicContact CG-OD2 2.97Å; H113-D393 IonicContact ND1-OD1 2.8Å; H113-D393 PolarHBondContact ND1-OD1 2.95Å; H113-D393 VanDerWaalsContact ND1-OD1 3.16Å; H113-D393 IonicContact ND1-OD2 3.31Å; H113-D393 PolarHBondContact ND1-OD2 3.49Å; D393-L395 VanDerWaalsContact C-N 3.29Å; D393-L395 PolarHBondContact O-N 3.05Å; D393-L395 PolarHBondContact OD1-N 3.2Å; D393-Y396 PolarHBondContact OD1-N 2.89Å; D393-Q416 PolarHBondContact N-O 3.09Å
394	P	91.3	Very high	89.8	Confident	54 Å²	54	53.4 Å²	53.4	35%	0.351	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.4	178.1	33.8	-36	0	0	0	113.6	I392 V502	I392-P394 WeakPolarHBondContact O-CD 3.32Å; P394-V502 HydrophobicContact CG-CG2 3.65Å
395	L	87.6	Confident	89.4	Confident	95 Å²	95	58.6 Å²	58.6	50%	0.497	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-9.6	-179.4	-61.3	-171.7	0	0	0	112.9	H113 D393 V502	H113-L395 HydrophobicContact CB-CB 4.26Å; H113-L395 HydrophobicContact CB-CD1 4.19Å; D393-L395 VanDerWaalsContact C-N 3.29Å; D393-L395 PolarHBondContact O-N 3.05Å; D393-L395 PolarHBondContact OD1-N 3.2Å; L395-V502 HydrophobicContact CD1-CB 4.02Å; L395-V502 HydrophobicContact CD1-CG1 3.65Å; L395-V502 HydrophobicContact CG-CB 4.4Å; L395-V502 HydrophobicContact CG-CG1 4.3Å; L395-V502 HydrophobicContact CG-CG2 4.38Å
396	Y	79.7	Confident	88.9	Confident	77 Å²	77	60.3 Å²	60.3	30%	0.302	32%	0.323	S	S	.	.	S	Bend	trans	-66.8	158.2	171.9	-150.9	-95.5	0	0	0	111.2	D393 H398 Q416	D393-Y396 PolarHBondContact OD1-N 2.89Å; Y396-H398 PolarHBondContact O-N 3.27Å; Y396-H398 VanDerWaalsContact O-N 3.08Å; Y396-Q416 HydrophobicContact CD1-CB 4.39Å; Y396-Q416 HydrophobicContact CG-CB 4.39Å
397	N	72.9	Confident	88.6	Confident	124 Å²	124	56 Å²	56	66%	0.663	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-53.5	119.6	179.7	-71	-26.7	0	0	0	110.7	A399	N397-A399 PolarHBondContact O-N 2.82Å
398	H	73.6	Confident	88.5	Confident	110 Å²	110	58.4 Å²	58.4	51%	0.509	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-63	131.6	178.1	-73.1	-59	0	0	0	110.7	Y396 Q400 A414	Y396-H398 PolarHBondContact O-N 3.27Å; Y396-H398 VanDerWaalsContact O-N 3.08Å; H398-Q400 PolarHBondContact O-N 3.47Å; H398-A414 WeakPolarHBondContact CA-O 3.44Å; H398-A414 HydrophobicContact CB-CB 4.28Å; H398-A414 PolarHBondContact ND1-O 3.38Å
399	A	73.1	Confident	88.3	Confident	17 Å²	17	61 Å²	61	14%	0.14	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-62.3	124.8	172	0	0	0	0	0	109.6	N397 H401 G402 A414 A461	N397-A399 PolarHBondContact O-N 2.82Å; A399-H401 PolarHBondContact O-N 3.21Å; A399-G402 PolarHBondContact O-N 2.75Å; A399-A414 PolarHBondContact N-O 3.29Å; A399-A461 HydrophobicContact CB-CB 4.16Å
400	Q	75.8	Confident	88.1	Confident	186 Å²	186	64 Å²	64	87%	0.869	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.9	-174	-68	-177.1	-10.2	0	0	113.9	H398	H398-Q400 PolarHBondContact O-N 3.47Å
401	H	80.1	Confident	88.1	Confident	95 Å²	95	64.4 Å²	64.4	44%	0.44	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	3.6	-176.4	-57.6	87.5	0	0	0	113.2	A399 R459	A399-H401 PolarHBondContact O-N 3.21Å; H401-R459 VanDerWaalsContact CB-O 3.3Å; H401-R459 WeakPolarHBondContact CB-O 3.42Å
402	G	86	Confident	87.9	Confident	15 Å²	15	67.1 Å²	67.1	16%	0.155	36%	0.364	C	S	.	.			trans	-79.1	147.6	175	0	0	0	0	0	111.6	A399 T413	A399-G402 PolarHBondContact O-N 2.75Å; G402-T413 WeakPolarHBondContact CA-OG1 3.46Å
403	S	91.1	Very high	87.8	Confident	47 Å²	47	67.2 Å²	67.2	33%	0.329	37%	0.365	S	S	.	.			trans	-157.6	165.1	177.9	72.8	0	0	0	0	111.7	E405 G406 G407 T413	S403-E405 VanDerWaalsContact C-N 3.34Å; S403-G406 PolarHBondContact OG-N 3.34Å; S403-G407 PolarHBondContact O-N 3.25Å; S403-T413 PolarHBondContact N-OG1 2.92Å; S403-T413 PolarHBondContact O-N 2.64Å; S403-T413 PolarHBondContact O-OG1 2.72Å; S403-T413 VanDerWaalsContact O-OG1 3.08Å
404	L	92.8	Very high	87.7	Confident	95 Å²	95	67.3 Å²	67.3	50%	0.497	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-36.3	172.5	-176.7	61.6	0	0	0	111.8	G407 F408 G409	L404-G407 CarbonylContact O-C 3.55Å; L404-G407 PolarHBondContact O-N 3.2Å; L404-F408 PolarHBondContact O-N 3.5Å; L404-G409 WeakPolarHBondContact O-CA 3.46Å; L404-G409 PolarHBondContact O-N 3.3Å
405	E	90.9	Very high	87.9	Confident	174 Å²	174	65.6 Å²	65.6	81%	0.813	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-43.3	175.8	-174	177	-174.2	0	0	111.2	S403 G407 F408	S403-E405 VanDerWaalsContact C-N 3.34Å; E405-G407 PolarHBondContact O-N 2.84Å; E405-F408 PolarHBondContact O-N 3.12Å
406	G	86.8	Confident	88.2	Confident	42 Å²	42	61.3 Å²	61.3	43%	0.433	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.8	174.7	0	0	0	0	0	113.8	S403	S403-G406 PolarHBondContact OG-N 3.34Å
407	G	91.9	Very high	89.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	27.2	170	0	0	0	0	0	113.9	S403 L404 E405 G409 I410 W411	S403-G407 PolarHBondContact O-N 3.25Å; L404-G407 CarbonylContact O-C 3.55Å; L404-G407 PolarHBondContact O-N 3.2Å; E405-G407 PolarHBondContact O-N 2.84Å; G407-G409 PolarHBondContact O-N 2.99Å; G407-I410 WeakPolarHBondContact O-CB 3.29Å; G407-I410 PolarHBondContact O-N 3.28Å; G407-W411 WeakPolarHBondContact CA-O 3.47Å; G407-W411 PolarHBondContact O-N 2.94Å
408	F	94.7	Very high	90.3	Very high	81 Å²	81	51.7 Å²	51.7	36%	0.355	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	25.1	176.7	-50.1	-80.8	0	0	0	114.7	L404 E405 I410 P482 V485 R486 L489	L404-F408 PolarHBondContact O-N 3.5Å; E405-F408 PolarHBondContact O-N 3.12Å; F408-I410 HydrophobicContact CB-CD1 4.16Å; F408-I410 HydrophobicContact CB-CG1 4.42Å; F408-I410 PolarHBondContact O-N 2.61Å; F408-P482 HydrophobicContact CZ-CB 4.42Å; F408-V485 HydrophobicContact CE2-CG1 4.02Å; F408-R486 VanDerWaalsContact CD1-NH2 3.31Å; F408-R486 HydrophobicContact CD2-CB 4.3Å; F408-R486 HydrophobicContact CD2-CG 4.48Å; F408-R486 HydrophobicContact CE2-CB 4.37Å; F408-L489 HydrophobicContact CD2-CD1 3.85Å; F408-L489 HydrophobicContact CE2-CD1 4.07Å
409	G	94.5	Very high	91.5	Very high	54 Å²	54	46.5 Å²	46.5	56%	0.557	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	4.2	-173.8	0	0	0	0	0	114.4	L404 G407	L404-G409 WeakPolarHBondContact O-CA 3.46Å; L404-G409 PolarHBondContact O-N 3.3Å; G407-G409 PolarHBondContact O-N 2.99Å
410	I	96.2	Very high	92.7	Very high	63 Å²	63	46 Å²	46	32%	0.323	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-44.5	-173.4	-59.1	168.3	0	0	0	111	G407 F408 R486 A490 A493	G407-I410 WeakPolarHBondContact O-CB 3.29Å; G407-I410 PolarHBondContact O-N 3.28Å; F408-I410 HydrophobicContact CB-CD1 4.16Å; F408-I410 HydrophobicContact CB-CG1 4.42Å; F408-I410 PolarHBondContact O-N 2.61Å; I410-R486 HydrophobicContact CD1-CG 3.75Å; I410-A490 HydrophobicContact CG2-CB 4.19Å; I410-A493 HydrophobicContact CG2-CB 4.06Å
411	W	97	Very high	93.8	Very high	11 Å²	11	39 Å²	39	4%	0.042	23%	0.227	C	C	.	.	S	Bend	trans	-136.4	141	-173.7	-177.2	-103.9	0	0	0	110.7	I392 G407 T413 V415 A417 T428 L489 L492 A493 N496	I392-W411 HydrophobicContact CD1-CH2 3.92Å; I392-W411 HydrophobicContact CG1-CH2 4.07Å; I392-W411 HydrophobicContact CG1-CZ2 4.43Å; I392-W411 HydrophobicContact CG2-CH2 3.75Å; I392-W411 HydrophobicContact CG2-CZ2 4.11Å; G407-W411 WeakPolarHBondContact CA-O 3.47Å; G407-W411 PolarHBondContact O-N 2.94Å; W411-T413 PolarHBondContact O-N 2.91Å; W411-V415 HydrophobicContact CZ2-CB 4.22Å; W411-V415 HydrophobicContact CZ2-CG1 4.07Å; W411-A417 HydrophobicContact CZ2-CB 3.83Å; W411-T428 PolarHBondContact NE1-OG1 3.27Å; W411-T428 VanDerWaalsContact NE1-OG1 3.13Å; W411-L489 HydrophobicContact CB-CB 4.06Å; W411-L489 HydrophobicContact CB-CD2 3.86Å; W411-L489 HydrophobicContact CB-CG 4.44Å; W411-L489 HydrophobicContact CG-CD2 3.88Å; W411-L492 HydrophobicContact CD2-CB 4.02Å; W411-L492 HydrophobicContact CD2-CD1 4.5Å; W411-L492 HydrophobicContact CE3-CB 3.96Å; W411-L492 HydrophobicContact CH2-CB 4.25Å; W411-L492 HydrophobicContact CZ2-CB 4.31Å; W411-L492 HydrophobicContact CZ2-CD1 4.41Å; W411-L492 HydrophobicContact CZ3-CB 4.08Å; W411-L492 WeakPolarHBondContact CZ3-O 3.26Å; W411-A493 HydrophobicContact CE3-CB 4.1Å; W411-N496 HydrophobicContact CH2-CB 3.9Å; W411-N496 HydrophobicContact CZ3-CB 3.5Å
412	N	95.8	Very high	94.6	Very high	63 Å²	63	36.3 Å²	36.3	34%	0.337	22%	0.224	S	C	.	.			trans	-81.4	103.8	170.8	-177.1	3.3	0	0	0	109.6	A414 V415	N412-A414 PolarHBondContact O-N 2.77Å; N412-A414 WeakPolarHBondContact OD1-CB 3.48Å; N412-A414 PolarHBondContact OD1-N 3.21Å; N412-A414 VanDerWaalsContact OD1-N 3.13Å; N412-V415 HydrophobicContact CB-CG2 4.26Å; N412-V415 PolarHBondContact O-N 3.16Å
413	T	95.4	Very high	95.1	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.025	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-3.9	-177	60.3	0	0	0	0	113.7	G402 S403 W411 V415 G429 V462 L489	G402-T413 WeakPolarHBondContact CA-OG1 3.46Å; S403-T413 PolarHBondContact N-OG1 2.92Å; S403-T413 PolarHBondContact O-N 2.64Å; S403-T413 PolarHBondContact O-OG1 2.72Å; S403-T413 VanDerWaalsContact O-OG1 3.08Å; W411-T413 PolarHBondContact O-N 2.91Å; T413-V415 VanDerWaalsContact C-N 3.3Å; T413-G429 VanDerWaalsContact O-CA 3.25Å; T413-G429 WeakPolarHBondContact O-CA 3.15Å; T413-G429 PolarHBondContact O-N 2.91Å; T413-V462 HydrophobicContact CG2-CG2 3.4Å; T413-V462 VanDerWaalsContact CG2-CG2 3.4Å; T413-L489 HydrophobicContact CG2-CD2 4.3Å
414	A	94.1	Very high	95.5	Very high	7 Å²	7	39.2 Å²	39.2	6%	0.058	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.2	169.7	0	0	0	0	0	113.6	H398 A399 N412	H398-A414 WeakPolarHBondContact CA-O 3.44Å; H398-A414 HydrophobicContact CB-CB 4.28Å; H398-A414 PolarHBondContact ND1-O 3.38Å; A399-A414 PolarHBondContact N-O 3.29Å; N412-A414 PolarHBondContact O-N 2.77Å; N412-A414 WeakPolarHBondContact OD1-CB 3.48Å; N412-A414 PolarHBondContact OD1-N 3.21Å; N412-A414 VanDerWaalsContact OD1-N 3.13Å
415	V	95.5	Very high	95.8	Very high	18 Å²	18	34.7 Å²	34.7	11%	0.109	20%	0.203	C	C	.	.	S	Bend	trans	-79.7	130.7	178.7	177.1	0	0	0	0	109.7	I392 W411 N412 T413 A417 T428 G429	I392-V415 HydrophobicContact CG2-CG1 4.04Å; W411-V415 HydrophobicContact CZ2-CB 4.22Å; W411-V415 HydrophobicContact CZ2-CG1 4.07Å; N412-V415 HydrophobicContact CB-CG2 4.26Å; N412-V415 PolarHBondContact O-N 3.16Å; T413-V415 VanDerWaalsContact C-N 3.3Å; V415-A417 PolarHBondContact O-N 3.37Å; V415-T428 CarbonylContact O-C 3.52Å; V415-T428 VanDerWaalsContact O-C 3.3Å; V415-T428 PolarHBondContact O-OG1 2.04Å; V415-G429 WeakPolarHBondContact O-CA 3.33Å; V415-G429 PolarHBondContact O-N 2.71Å
416	Q	95.3	Very high	96.2	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	113.6	173.9	-176.3	-173.5	59.2	0	0	109	Y318 D393 Y396 T428 D430	Y318-Q416 HydrophobicContact CD2-CG 4.09Å; Y318-Q416 HydrophobicContact CE2-CG 3.67Å; Y318-Q416 PolarHBondContact OH-OE1 3.17Å; D393-Q416 PolarHBondContact N-O 3.09Å; Y396-Q416 HydrophobicContact CD1-CB 4.39Å; Y396-Q416 HydrophobicContact CG-CB 4.39Å; Q416-T428 WeakPolarHBondContact CA-O 3.34Å; Q416-D430 VanDerWaalsContact CD-O 3.3Å; Q416-D430 VanDerWaalsContact CG-O 3.23Å; Q416-D430 WeakPolarHBondContact CG-O 3.43Å; Q416-D430 PolarHBondContact NE2-O 3.34Å
417	A	97.9	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154.9	177	0	0	0	0	0	110.8	N391 I392 W411 V415 L427 T428 L492	N391-A417 VanDerWaalsContact O-CA 3.25Å; N391-A417 WeakPolarHBondContact O-CA 3.4Å; I392-A417 HydrophobicContact CG1-CB 4.03Å; W411-A417 HydrophobicContact CZ2-CB 3.83Å; V415-A417 PolarHBondContact O-N 3.37Å; A417-L427 CarbonylContact O-C 3.3Å; A417-L427 WeakPolarHBondContact O-CA 3.44Å; A417-T428 PolarHBondContact N-O 2.97Å; A417-T428 VanDerWaalsContact N-O 3.14Å; A417-T428 PolarHBondContact O-N 2.74Å; A417-L492 HydrophobicContact CB-CD1 4.05Å; A417-L492 HydrophobicContact CB-CD2 4.07Å
418	A	98.6	Very high	96.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.4	167.3	0	0	0	0	0	111.2	Y318 H390 N391 L426 L427	Y318-A418 HydrophobicContact CD2-CB 3.59Å; Y318-A418 HydrophobicContact CG-CB 4.12Å; H390-A418 HydrophobicContact CB-CB 3.96Å; H390-A418 WeakPolarHBondContact CB-O 3.15Å; H390-A418 PolarHBondContact N-O 2.93Å; N391-A418 PolarHBondContact O-N 3.28Å; N391-A418 VanDerWaalsContact O-N 3.15Å; A418-L426 VanDerWaalsContact CA-O 3.23Å; A418-L426 WeakPolarHBondContact CA-O 3.17Å; A418-L427 HydrophobicContact CB-CB 4.5Å; A418-L427 HydrophobicContact CB-CD2 4.32Å; A418-L427 HydrophobicContact CB-CG 4.04Å
419	I	98.8	Very high	96.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145	178	-171.8	177.4	0	0	0	108.9	I388 L389 V421 K425 L426 L488 R491 L492 Y495	I388-I419 CarbonylContact O-C 3.51Å; I388-I419 WeakPolarHBondContact O-CA 3.32Å; I388-I419 WeakPolarHBondContact O-CG1 3.17Å; L389-I419 HydrophobicContact CD1-CB 4.45Å; I419-V421 HydrophobicContact CD1-CG2 3.8Å; I419-V421 HydrophobicContact CG1-CG2 3.98Å; I419-K425 CarbonylContact O-C 3.59Å; I419-K425 WeakPolarHBondContact O-CA 3.19Å; I419-L426 HydrophobicContact CG2-CB 3.93Å; I419-L426 HydrophobicContact CG2-CD2 4.39Å; I419-L426 PolarHBondContact N-O 3.48Å; I419-L426 PolarHBondContact O-N 2.97Å; I419-L488 HydrophobicContact CG2-CB 4.26Å; I419-R491 HydrophobicContact CD1-CB 3.63Å; I419-L492 HydrophobicContact CB-CD2 3.76Å; I419-L492 HydrophobicContact CB-CG 4.2Å; I419-L492 HydrophobicContact CG2-CD1 4.27Å; I419-L492 HydrophobicContact CG2-CD2 3.93Å; I419-L492 HydrophobicContact CG2-CG 3.79Å; I419-Y495 HydrophobicContact CD1-CD2 3.93Å; I419-Y495 HydrophobicContact CD1-CE2 3.66Å; I419-Y495 HydrophobicContact CG1-CE2 4.43Å
420	R	98.5	Very high	96.7	Very high	7 Å²	7	21 Å²	21	3%	0.026	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.6	167.6	-178.6	-176.9	169.3	-174.7	2.7	110.1	N86 Y88 L344 E387 I388 G422 W424	N86-R420 PolarHBondContact ND2-NH2 2.8Å; N86-R420 VanDerWaalsContact OD1-CZ 3.29Å; N86-R420 PolarHBondContact OD1-NH1 2.91Å; N86-R420 PolarHBondContact OD1-NH2 2.72Å; Y88-R420 PolarHBondContact OH-NH1 2.67Å; L344-R420 VanDerWaalsContact CD1-CZ 3.46Å; E387-R420 CarbonylContact C-O 3.52Å; E387-R420 WeakPolarHBondContact CA-O 3.41Å; I388-R420 HydrophobicContact CB-CB 4.43Å; I388-R420 PolarHBondContact N-O 3.5Å; I388-R420 PolarHBondContact O-N 3.01Å; R420-G422 PolarHBondContact NE-O 2.7Å; R420-G422 PolarHBondContact NH2-O 2.87Å; R420-W424 CarbonylContact C-O 3.59Å; R420-W424 VanDerWaalsContact CA-O 3.29Å; R420-W424 WeakPolarHBondContact CA-O 3.4Å; R420-W424 WeakPolarHBondContact CG-O 3.48Å
421	V	98.5	Very high	96.5	Very high	40 Å²	40	18.1 Å²	18.1	24%	0.242	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.6	173.7	-175.5	0	0	0	0	108.6	E387 I419 E423 W424 L488	E387-V421 HydrophobicContact CB-CB 4.42Å; E387-V421 HydrophobicContact CB-CG1 4.35Å; E387-V421 HydrophobicContact CB-CG2 3.97Å; I419-V421 HydrophobicContact CD1-CG2 3.8Å; I419-V421 HydrophobicContact CG1-CG2 3.98Å; V421-E423 PolarHBondContact O-N 2.83Å; V421-W424 PolarHBondContact N-O 3.43Å; V421-W424 PolarHBondContact O-N 2.81Å; V421-L488 HydrophobicContact CB-CD2 3.63Å; V421-L488 HydrophobicContact CG1-CD2 4.5Å; V421-L488 HydrophobicContact CG2-CD2 3.5Å
422	G	96.6	Very high	96.1	Very high	38 Å²	38	18.2 Å²	18.2	39%	0.392	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-119.5	-173	0	0	0	0	0	111.8	T386 R420	T386-G422 PolarHBondContact O-N 3.31Å; R420-G422 PolarHBondContact NE-O 2.7Å; R420-G422 PolarHBondContact NH2-O 2.87Å
423	E	97.3	Very high	95.6	Very high	85 Å²	85	19.4 Å²	19.4	40%	0.397	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-15.8	178.6	68.3	-172.5	152.5	0	0	113.7	V421 N466 I467 S468	V421-E423 PolarHBondContact O-N 2.83Å; E423-N466 VanDerWaalsContact CD-ND2 3.32Å; E423-N466 CarbonylContact O-C 3.59Å; E423-N466 WeakPolarHBondContact O-CA 3.44Å; E423-N466 PolarHBondContact OE2-ND2 3.24Å; E423-I467 PolarHBondContact O-N 3.14Å; E423-S468 WeakPolarHBondContact CA-OG 3.39Å; E423-S468 VanDerWaalsContact CB-OG 3.27Å; E423-S468 WeakPolarHBondContact CB-OG 3.21Å
424	W	98.6	Very high	95.1	Very high	37 Å²	37	19.8 Å²	19.8	14%	0.14	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.2	-171.2	-60.7	97.3	0	0	0	111.8	R420 V421 L464 F465 N466 L477 R481 V484 L488	R420-W424 CarbonylContact C-O 3.59Å; R420-W424 VanDerWaalsContact CA-O 3.29Å; R420-W424 WeakPolarHBondContact CA-O 3.4Å; R420-W424 WeakPolarHBondContact CG-O 3.48Å; V421-W424 PolarHBondContact N-O 3.43Å; V421-W424 PolarHBondContact O-N 2.81Å; W424-L464 HydrophobicContact CB-CD1 4.41Å; W424-L464 HydrophobicContact CE3-CD1 4.05Å; W424-L464 HydrophobicContact CE3-CD2 4Å; W424-L464 HydrophobicContact CE3-CG 3.93Å; W424-L464 HydrophobicContact CZ3-CD2 4.08Å; W424-L464 HydrophobicContact CZ3-CG 4.3Å; W424-F465 CarbonylContact C-O 3.6Å; W424-F465 WeakPolarHBondContact CA-O 3.25Å; W424-N466 HydrophobicContact CE3-CB 4.14Å; W424-N466 HydrophobicContact CH2-CB 4.14Å; W424-N466 HydrophobicContact CZ3-CB 3.87Å; W424-L477 HydrophobicContact CH2-CD1 4.12Å; W424-L477 HydrophobicContact CZ3-CD1 3.72Å; W424-R481 HydrophobicContact CH2-CG 4.48Å; W424-V484 HydrophobicContact CB-CG1 4.16Å; W424-V484 HydrophobicContact CD2-CG1 3.79Å; W424-V484 HydrophobicContact CE3-CG1 4.11Å; W424-V484 HydrophobicContact CG-CG1 3.78Å; W424-L488 HydrophobicContact CB-CD1 3.82Å
425	K	98.8	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.9	170.5	-175.1	-175.2	179	-169.9	0	109.8	Y318 E320 I419 L427 L464 F465 I467 E473	Y318-K425 VanDerWaalsContact O-CE 3.29Å; Y318-K425 WeakPolarHBondContact O-CE 3.28Å; Y318-K425 PolarHBondContact O-NZ 2.78Å; E320-K425 WeakPolarHBondContact OE1-CD 3.1Å; E320-K425 WeakPolarHBondContact OE1-CE 3.33Å; E320-K425 IonicContact OE1-NZ 3.08Å; E320-K425 PolarHBondContact OE1-NZ 2.97Å; I419-K425 CarbonylContact O-C 3.59Å; I419-K425 WeakPolarHBondContact O-CA 3.19Å; K425-L427 HydrophobicContact CD-CD1 4.35Å; K425-L427 HydrophobicContact CG-CD1 4.25Å; K425-L464 WeakPolarHBondContact O-CA 3.47Å; K425-F465 PolarHBondContact N-O 2.67Å; K425-F465 PolarHBondContact O-N 2.69Å; K425-I467 HydrophobicContact CB-CD1 4.05Å; K425-I467 HydrophobicContact CB-CG1 3.39Å; K425-I467 HydrophobicContact CD-CD1 3.91Å; K425-I467 HydrophobicContact CD-CG1 3.91Å; K425-I467 HydrophobicContact CG-CG1 4.31Å; K425-E473 WeakPolarHBondContact CE-OE1 3.36Å; K425-E473 IonicContact NZ-OE1 3.55Å; K425-E473 PolarHBondContact NZ-OE1 2.86Å
426	L	98.8	Very high	94.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.3	176	-175.9	86.6	0	0	0	109.2	A418 I419 T428 V462 W463 L464 V485 L488 L489 L492	A418-L426 VanDerWaalsContact CA-O 3.23Å; A418-L426 WeakPolarHBondContact CA-O 3.17Å; I419-L426 HydrophobicContact CG2-CB 3.93Å; I419-L426 HydrophobicContact CG2-CD2 4.39Å; I419-L426 PolarHBondContact N-O 3.48Å; I419-L426 PolarHBondContact O-N 2.97Å; L426-T428 HydrophobicContact CD2-CG2 4.19Å; L426-V462 HydrophobicContact CD1-CG1 3.81Å; L426-W463 WeakPolarHBondContact CA-O 3.43Å; L426-W463 WeakPolarHBondContact CD1-O 3.22Å; L426-L464 HydrophobicContact CB-CD1 4.41Å; L426-L464 HydrophobicContact CD1-CB 4.43Å; L426-L464 HydrophobicContact CD1-CD1 4.15Å; L426-V485 HydrophobicContact CD1-CB 4.4Å; L426-V485 HydrophobicContact CD1-CG1 4.07Å; L426-V485 HydrophobicContact CD1-CG2 4.23Å; L426-L488 HydrophobicContact CB-CB 3.88Å; L426-L488 HydrophobicContact CB-CD1 3.71Å; L426-L488 HydrophobicContact CB-CG 4.46Å; L426-L488 HydrophobicContact CD2-CB 3.73Å; L426-L488 HydrophobicContact CG-CB 4.26Å; L426-L489 HydrophobicContact CD2-CD2 3.63Å; L426-L489 HydrophobicContact CD2-CG 3.88Å; L426-L492 HydrophobicContact CD2-CD1 3.86Å
427	L	97.9	Very high	94.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.5	169.8	-53.5	93.9	0	0	0	109.6	Y318 W319 A417 A418 K425 P431 V462 W463 F465	Y318-L427 WeakPolarHBondContact O-CD2 3.46Å; W319-L427 HydrophobicContact CD2-CD2 4.34Å; W319-L427 HydrophobicContact CE3-CD2 3.98Å; W319-L427 HydrophobicContact CZ3-CD1 4.26Å; W319-L427 HydrophobicContact CZ3-CD2 4.23Å; A417-L427 CarbonylContact O-C 3.3Å; A417-L427 WeakPolarHBondContact O-CA 3.44Å; A418-L427 HydrophobicContact CB-CB 4.5Å; A418-L427 HydrophobicContact CB-CD2 4.32Å; A418-L427 HydrophobicContact CB-CG 4.04Å; K425-L427 HydrophobicContact CD-CD1 4.35Å; K425-L427 HydrophobicContact CG-CD1 4.25Å; L427-P431 HydrophobicContact CB-CB 4.39Å; L427-P431 HydrophobicContact CB-CG 3.92Å; L427-P431 HydrophobicContact CD2-CB 3.71Å; L427-P431 HydrophobicContact CD2-CG 4.12Å; L427-V462 CarbonylContact O-C 3.48Å; L427-V462 WeakPolarHBondContact O-CA 3.27Å; L427-W463 HydrophobicContact CB-CB 4.48Å; L427-W463 HydrophobicContact CB-CE3 4.21Å; L427-W463 HydrophobicContact CD1-CB 4.24Å; L427-W463 PolarHBondContact N-O 3.41Å; L427-W463 PolarHBondContact O-N 2.88Å; L427-F465 HydrophobicContact CD1-CD2 3.8Å; L427-F465 HydrophobicContact CD1-CE2 3.76Å
428	T	96.8	Very high	93.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	164.2	171.9	68.7	0	0	0	0	111.8	W411 V415 Q416 A417 L426 A461 V462 L489 L492	W411-T428 PolarHBondContact NE1-OG1 3.27Å; W411-T428 VanDerWaalsContact NE1-OG1 3.13Å; V415-T428 CarbonylContact O-C 3.52Å; V415-T428 VanDerWaalsContact O-C 3.3Å; V415-T428 PolarHBondContact O-OG1 2.04Å; Q416-T428 WeakPolarHBondContact CA-O 3.34Å; A417-T428 PolarHBondContact N-O 2.97Å; A417-T428 VanDerWaalsContact N-O 3.14Å; A417-T428 PolarHBondContact O-N 2.74Å; L426-T428 HydrophobicContact CD2-CG2 4.19Å; T428-A461 CarbonylContact C-O 3.56Å; T428-A461 WeakPolarHBondContact CA-O 3.47Å; T428-V462 HydrophobicContact CG2-CG2 4.37Å; T428-L489 HydrophobicContact CG2-CD2 3.63Å; T428-L492 HydrophobicContact CG2-CD1 4.25Å
429	G	93.8	Very high	93.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	75.5	-141.5	178.7	0	0	0	0	0	111.7	T413 V415 P431 A461 W463	T413-G429 VanDerWaalsContact O-CA 3.25Å; T413-G429 WeakPolarHBondContact O-CA 3.15Å; T413-G429 PolarHBondContact O-N 2.91Å; V415-G429 WeakPolarHBondContact O-CA 3.33Å; V415-G429 PolarHBondContact O-N 2.71Å; G429-P431 WeakPolarHBondContact O-CD 3.42Å; G429-A461 PolarHBondContact N-O 3.18Å; G429-W463 VanDerWaalsContact O-CZ3 3.28Å; G429-W463 WeakPolarHBondContact O-CZ3 3.33Å
430	D	91.4	Very high	92.1	Very high	63 Å²	63	26.9 Å²	26.9	34%	0.337	15%	0.15	S	C	.	.			trans	-100.8	102.4	169.8	176.6	2.5	0	0	0	108.4	Q416 G432	Q416-D430 VanDerWaalsContact CD-O 3.3Å; Q416-D430 VanDerWaalsContact CG-O 3.23Å; Q416-D430 WeakPolarHBondContact CG-O 3.43Å; Q416-D430 PolarHBondContact NE2-O 3.34Å; D430-G432 PolarHBondContact O-N 2.8Å; D430-G432 VanDerWaalsContact O-N 3.08Å; D430-G432 WeakPolarHBondContact OD1-CA 3.23Å; D430-G432 PolarHBondContact OD1-N 3.42Å
431	P	90.9	Very high	90.9	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	16%	0.161	C	C	.	.			trans	-69.2	-3	-179.6	-19	33.8	0	0	0	114	T317 Y318 W319 L427 G429 W463	T317-P431 CarbonylContact C-O 3.23Å; T317-P431 VanDerWaalsContact CA-O 3.24Å; T317-P431 WeakPolarHBondContact CA-O 3.36Å; T317-P431 WeakPolarHBondContact CB-O 3.24Å; Y318-P431 PolarHBondContact N-O 2.9Å; W319-P431 HydrophobicContact CD2-CB 4.41Å; W319-P431 HydrophobicContact CH2-CG 4.37Å; W319-P431 HydrophobicContact CZ2-CB 3.9Å; W319-P431 HydrophobicContact CZ2-CG 3.95Å; L427-P431 HydrophobicContact CB-CB 4.39Å; L427-P431 HydrophobicContact CB-CG 3.92Å; L427-P431 HydrophobicContact CD2-CB 3.71Å; L427-P431 HydrophobicContact CD2-CG 4.12Å; G429-P431 WeakPolarHBondContact O-CD 3.42Å; P431-W463 VanDerWaalsContact CD-CZ3 3.43Å; P431-W463 HydrophobicContact CG-CD2 4.43Å; P431-W463 HydrophobicContact CG-CE3 3.66Å; P431-W463 HydrophobicContact CG-CH2 4Å; P431-W463 HydrophobicContact CG-CZ3 3.43Å; P431-W463 VanDerWaalsContact CG-CZ3 3.43Å
432	G	88.1	Confident	89.4	Confident	13 Å²	13	29.5 Å²	29.5	13%	0.134	17%	0.165	C	C	.	.			trans	91.1	-177.7	-172	0	0	0	0	0	112.7	W319 D430 G434	W319-G432 PolarHBondContact NE1-O 2.8Å; D430-G432 PolarHBondContact O-N 2.8Å; D430-G432 VanDerWaalsContact O-N 3.08Å; D430-G432 WeakPolarHBondContact OD1-CA 3.23Å; D430-G432 PolarHBondContact OD1-N 3.42Å; G432-G434 PolarHBondContact O-N 3.03Å; G432-G434 VanDerWaalsContact O-N 3.15Å
433	Y	85.8	Confident	87.5	Confident	87 Å²	87	30 Å²	30	34%	0.341	17%	0.165	S	C	.	.			trans	-58.5	116.4	-174.2	-166.5	-100.6	0	0	0	112.9	G313 D435 I437	G313-Y433 WeakPolarHBondContact CA-O 3.38Å; Y433-D435 HydrophobicContact CD1-CB 4.19Å; Y433-D435 HydrophobicContact CE1-CB 3.52Å; Y433-D435 VanDerWaalsContact CE1-CG 3.49Å; Y433-D435 WeakPolarHBondContact CE1-OD2 3.5Å; Y433-D435 PolarHBondContact OH-OD2 3.19Å; Y433-I437 HydrophobicContact CE1-CD1 4.23Å
434	G	85.4	Confident	85.5	Confident	12 Å²	12	32.2 Å²	32.2	12%	0.124	19%	0.185	C	C	.	.			trans	-110.3	33.6	-167.6	0	0	0	0	0	115.9	R312 G432	R312-G434 WeakPolarHBondContact CG-O 3.1Å; R312-G434 PolarHBondContact NE-O 2.93Å; R312-G434 PolarHBondContact NH2-O 2.8Å; G432-G434 PolarHBondContact O-N 3.03Å; G432-G434 VanDerWaalsContact O-N 3.15Å
435	D	86.6	Confident	83.5	Confident	16 Å²	16	34.4 Å²	34.4	9%	0.086	20%	0.195	C	C	.	.			trans	-86.1	155	173.4	-68.8	-2	0	0	0	111.6	G313 Y433 I437	G313-D435 PolarHBondContact N-O 3.42Å; Y433-D435 HydrophobicContact CD1-CB 4.19Å; Y433-D435 HydrophobicContact CE1-CB 3.52Å; Y433-D435 VanDerWaalsContact CE1-CG 3.49Å; Y433-D435 WeakPolarHBondContact CE1-OD2 3.5Å; Y433-D435 PolarHBondContact OH-OD2 3.19Å; D435-I437 HydrophobicContact CB-CG1 4.28Å
436	W	91.4	Very high	81.1	Confident	9 Å²	9	38.4 Å²	38.4	3%	0.034	22%	0.221	C	C	.	.			trans	-88.8	119.6	162.6	-66.5	-94.8	0	0	0	108.8	W309 R312 P438 E453 Y472 E473 R474	W309-W436 HydrophobicContact CE3-CB 4.3Å; W309-W436 HydrophobicContact CZ3-CB 3.73Å; R312-W436 HydrophobicContact CB-CD2 4.23Å; R312-W436 HydrophobicContact CB-CG 4.5Å; R312-W436 HydrophobicContact CB-CZ2 3.95Å; R312-W436 HydrophobicContact CG-CD2 3.94Å; R312-W436 HydrophobicContact CG-CE3 4.25Å; R312-W436 HydrophobicContact CG-CH2 4.08Å; R312-W436 HydrophobicContact CG-CZ2 3.74Å; R312-W436 HydrophobicContact CG-CZ3 4.31Å; R312-W436 VanDerWaalsContact CZ-CH2 3.47Å; W436-P438 WeakPolarHBondContact O-CD 3.41Å; W436-E453 HydrophobicContact CE3-CB 4.04Å; W436-E453 HydrophobicContact CZ3-CB 4.48Å; W436-E453 WeakPolarHBondContact CZ3-O 3.41Å; W436-Y472 WeakPolarHBondContact CZ2-O 3.25Å; W436-Y472 PolarHBondContact NE1-O 3.07Å; W436-E473 WeakPolarHBondContact CH2-O 3.28Å; W436-E473 WeakPolarHBondContact CZ2-O 3.26Å; W436-R474 VanDerWaalsContact CD1-NH2 3.34Å; W436-R474 HydrophobicContact CZ2-CG 4.18Å
437	I	88.9	Confident	78.8	Confident	15 Å²	15	41.2 Å²	41.2	8%	0.077	25%	0.25	C	C	.	.			trans	-110.1	107.7	-173.9	-57.3	172	0	0	0	108.2	T302 Y433 D435 W450	T302-I437 HydrophobicContact CG2-CB 4.14Å; T302-I437 HydrophobicContact CG2-CD1 3.78Å; T302-I437 HydrophobicContact CG2-CG2 4.22Å; T302-I437 WeakPolarHBondContact OG1-CD1 3.39Å; Y433-I437 HydrophobicContact CE1-CD1 4.23Å; D435-I437 HydrophobicContact CB-CG1 4.28Å; I437-W450 HydrophobicContact CG2-CZ3 4.4Å
438	P	88.6	Confident	76.2	Confident	43 Å²	43	45 Å²	45	28%	0.279	28%	0.277	S	S	.	.			trans	-61	155.5	177.2	-22.5	32.5	0	0	0	112.4	W309 W436 T441	W309-P438 VanDerWaalsContact CE3-CA 3.49Å; W309-P438 HydrophobicContact CE3-CB 4.19Å; W309-P438 HydrophobicContact CE3-CG 4.09Å; W309-P438 HydrophobicContact CH2-CG 4.11Å; W309-P438 HydrophobicContact CZ3-CB 4.22Å; W309-P438 HydrophobicContact CZ3-CG 3.67Å; W436-P438 WeakPolarHBondContact O-CD 3.41Å; P438-T441 PolarHBondContact O-OG1 2.98Å
439	P	82.9	Confident	73.7	Confident	37 Å²	37	54 Å²	54	24%	0.24	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	152.9	171.3	-21.6	33.4	0	0	0	111.1	W309 T441	W309-P439 HydrophobicContact CB-CG 4.06Å; W309-P439 HydrophobicContact CG-CG 4.22Å; P439-T441 PolarHBondContact O-N 3.1Å; P439-T441 VanDerWaalsContact O-N 3.11Å
440	Q	77.6	Confident	71.5	Confident	59 Å²	59	55.7 Å²	55.7	28%	0.276	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	5.3	176.5	-62.8	-64.1	-36.1	0	0	117.2	D68 M255 L442	D68-Q440 PolarHBondContact OD2-NE2 3.36Å; M255-Q440 VanDerWaalsContact CE-NE2 3.33Å; M255-Q440 VanDerWaalsContact CG-CD 3.47Å; M255-Q440 PolarHBondContact SD-NE2 3.07Å; Q440-L442 PolarHBondContact O-N 3.1Å
441	T	74.1	Confident	69.3	Low	41 Å²	41	55.1 Å²	55.1	25%	0.252	31%	0.314	S	S	.	.			trans	-63.2	121	178.9	-50.2	0	0	0	0	110.7	N257 P438 P439 A443 W450	N257-T441 PolarHBondContact ND2-O 3.48Å; P438-T441 PolarHBondContact O-OG1 2.98Å; P439-T441 PolarHBondContact O-N 3.1Å; P439-T441 VanDerWaalsContact O-N 3.11Å; T441-A443 PolarHBondContact O-N 3.13Å; T441-W450 HydrophobicContact CG2-CD2 4.37Å; T441-W450 HydrophobicContact CG2-CE3 3.52Å; T441-W450 HydrophobicContact CG2-CH2 3.69Å; T441-W450 HydrophobicContact CG2-CZ3 3.12Å
442	L	66.1	Low	67.2	Low	61 Å²	61	62 Å²	62	32%	0.319	35%	0.349	S	S	.	.			trans	-70.6	126.4	-172.2	-47.3	173.6	0	0	0	110.7	N257 Q440 T444 F445 W450	N257-L442 HydrophobicContact CB-CD2 3.72Å; Q440-L442 PolarHBondContact O-N 3.1Å; L442-T444 PolarHBondContact O-N 2.74Å; L442-F445 HydrophobicContact CB-CD2 3.55Å; L442-F445 HydrophobicContact CB-CE2 3.92Å; L442-F445 HydrophobicContact CD1-CD2 3.89Å; L442-F445 HydrophobicContact CD1-CE2 3.39Å; L442-F445 HydrophobicContact CD1-CZ 4.3Å; L442-F445 HydrophobicContact CG-CD2 3.81Å; L442-F445 HydrophobicContact CG-CE2 3.6Å; L442-F445 PolarHBondContact O-N 3.23Å; L442-W450 WeakPolarHBondContact O-CH2 3.44Å; L442-W450 WeakPolarHBondContact O-CZ2 3.42Å
443	A	58.3	Low	65.2	Low	49 Å²	49	64.7 Å²	64.7	41%	0.405	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-19.8	-179.9	0	0	0	0	0	115.1	T441	T441-A443 PolarHBondContact O-N 3.13Å
444	T	54.2	Low	63.4	Low	131 Å²	131	68.9 Å²	68.9	80%	0.804	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	2.3	-177.9	53.5	0	0	0	0	114.7	L442	L442-T444 PolarHBondContact O-N 2.74Å
445	F	56.3	Low	61.7	Low	83 Å²	83	74.5 Å²	74.5	36%	0.364	40%	0.398	S	S	.	.	S	Bend	trans	-63	144.3	177.1	-100.1	-80.5	0	0	0	111.4	L442 G447 W449 W450	L442-F445 HydrophobicContact CB-CD2 3.55Å; L442-F445 HydrophobicContact CB-CE2 3.92Å; L442-F445 HydrophobicContact CD1-CD2 3.89Å; L442-F445 HydrophobicContact CD1-CE2 3.39Å; L442-F445 HydrophobicContact CD1-CZ 4.3Å; L442-F445 HydrophobicContact CG-CD2 3.81Å; L442-F445 HydrophobicContact CG-CE2 3.6Å; L442-F445 PolarHBondContact O-N 3.23Å; F445-G447 PolarHBondContact O-N 3.19Å; F445-W449 HydrophobicContact CD1-CE3 4.38Å; F445-W449 HydrophobicContact CE1-CE3 4.02Å; F445-W449 HydrophobicContact CE1-CZ3 4.41Å; F445-W450 HydrophobicContact CB-CZ2 3.85Å; F445-W450 PolarHBondContact O-NE1 3.47Å
446	P	49.7	Very low	59.9	Low	84 Å²	84	75.6 Å²	75.6	55%	0.545	41%	0.409	S	S	.	.			trans	-57.1	140.8	175.5	-20.7	31.8	0	0	0	111.1	S448 W449 W450	P446-S448 PolarHBondContact O-N 2.91Å; P446-W449 PolarHBondContact O-N 2.96Å; P446-W449 VanDerWaalsContact O-N 3.13Å; P446-W450 VanDerWaalsContact O-CD1 3.22Å; P446-W450 PolarHBondContact O-NE1 2.95Å
447	G	48.9	Very low	57.9	Low	58 Å²	58	78.8 Å²	78.8	60%	0.598	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	-20.7	-178.9	0	0	0	0	0	116.1	F445 W450 N451	F445-G447 PolarHBondContact O-N 3.19Å; G447-W450 VanDerWaalsContact CA-CD1 3.44Å; G447-N451 PolarHBondContact O-ND2 3.2Å
448	S	43.9	Very low	56.3	Low	81 Å²	81	84.1 Å²	84.1	57%	0.566	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-28.1	-177.7	54.3	0	0	0	0	115	P446 N451	P446-S448 PolarHBondContact O-N 2.91Å; S448-N451 VanDerWaalsContact C-ND2 3.3Å; S448-N451 VanDerWaalsContact CA-ND2 3.32Å; S448-N451 WeakPolarHBondContact CA-ND2 3.32Å; S448-N451 PolarHBondContact O-ND2 3.27Å
449	W	45.3	Very low	55	Low	189 Å²	189	91.2 Å²	91.2	72%	0.716	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.3	-176.6	-82.1	32	0	0	0	114.7	F445 P446 N451	F445-W449 HydrophobicContact CD1-CE3 4.38Å; F445-W449 HydrophobicContact CE1-CE3 4.02Å; F445-W449 HydrophobicContact CE1-CZ3 4.41Å; P446-W449 PolarHBondContact O-N 2.96Å; P446-W449 VanDerWaalsContact O-N 3.13Å; W449-N451 PolarHBondContact O-N 3.22Å
450	W	47.4	Very low	55	Low	35 Å²	35	91.9 Å²	91.9	13%	0.133	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.1	168	-54.2	90.7	0	0	0	112.6	I437 T441 L442 F445 P446 G447 L452	I437-W450 HydrophobicContact CG2-CZ3 4.4Å; T441-W450 HydrophobicContact CG2-CD2 4.37Å; T441-W450 HydrophobicContact CG2-CE3 3.52Å; T441-W450 HydrophobicContact CG2-CH2 3.69Å; T441-W450 HydrophobicContact CG2-CZ3 3.12Å; L442-W450 WeakPolarHBondContact O-CH2 3.44Å; L442-W450 WeakPolarHBondContact O-CZ2 3.42Å; F445-W450 HydrophobicContact CB-CZ2 3.85Å; F445-W450 PolarHBondContact O-NE1 3.47Å; P446-W450 VanDerWaalsContact O-CD1 3.22Å; P446-W450 PolarHBondContact O-NE1 2.95Å; G447-W450 VanDerWaalsContact CA-CD1 3.44Å; W450-L452 VanDerWaalsContact C-N 3.33Å; W450-L452 PolarHBondContact O-N 2.98Å
451	N	45.8	Very low	55.6	Low	51 Å²	51	89.5 Å²	89.5	27%	0.273	48%	0.478	S	S	.	.			trans	-90.3	32.8	-171.5	-53.6	-72.6	0	0	0	114.1	G447 S448 W449 E453 R454	G447-N451 PolarHBondContact O-ND2 3.2Å; S448-N451 VanDerWaalsContact C-ND2 3.3Å; S448-N451 VanDerWaalsContact CA-ND2 3.32Å; S448-N451 WeakPolarHBondContact CA-ND2 3.32Å; S448-N451 PolarHBondContact O-ND2 3.27Å; W449-N451 PolarHBondContact O-N 3.22Å; N451-E453 PolarHBondContact O-N 2.93Å; N451-R454 HydrophobicContact CB-CG 4.2Å; N451-R454 PolarHBondContact OD1-NE 2.74Å
452	L	46.4	Very low	56.6	Low	147 Å²	147	88.6 Å²	88.6	77%	0.77	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.2	-178.9	-80	163.2	0	0	0	112.2	W450	W450-L452 VanDerWaalsContact C-N 3.33Å; W450-L452 PolarHBondContact O-N 2.98Å
453	E	45.3	Very low	58.1	Low	70 Å²	70	86.5 Å²	86.5	33%	0.327	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	50.5	-175.4	-59.7	179.3	149.3	0	0	112.8	W436 N451 M455 R474	W436-E453 HydrophobicContact CE3-CB 4.04Å; W436-E453 HydrophobicContact CZ3-CB 4.48Å; W436-E453 WeakPolarHBondContact CZ3-O 3.41Å; N451-E453 PolarHBondContact O-N 2.93Å; E453-M455 PolarHBondContact O-N 2.8Å; E453-M455 VanDerWaalsContact O-N 3.08Å; E453-R474 IonicContact OE1-CZ 3.09Å; E453-R474 IonicContact OE1-NH1 3.49Å; E453-R474 PolarHBondContact OE1-NH1 3.05Å; E453-R474 IonicContact OE1-NH2 2.81Å; E453-R474 IonicContact OE2-CZ 2.86Å; E453-R474 IonicContact OE2-NH1 3.79Å; E453-R474 PolarHBondContact OE2-NH1 2.67Å; E453-R474 IonicContact OE2-NH2 3.37Å; E453-R474 PolarHBondContact OE2-NH2 3.37Å
454	R	48.5	Very low	60	Low	176 Å²	176	84.1 Å²	84.1	66%	0.664	44%	0.441	S	S	*	.			trans	-64.9	109.1	168.5	-103.4	-174.8	163	-163.3	-6.4	110	N451	N451-R454 HydrophobicContact CB-CG 4.2Å; N451-R454 PolarHBondContact OD1-NE 2.74Å
455	M	48.5	Very low	62.1	Low	129 Å²	129	77.9 Å²	77.9	64%	0.635	40%	0.402	S	S	*	.			trans	-113.7	-16.5	170.2	-68.8	-168.9	74.5	0	0	114.4	E453 R474	E453-M455 PolarHBondContact O-N 2.8Å; E453-M455 VanDerWaalsContact O-N 3.08Å; M455-R474 VanDerWaalsContact SD-O 3.41Å
456	A	48.8	Very low	64.1	Low	39 Å²	39	75.1 Å²	75.1	32%	0.322	39%	0.391	S	S	.	.			trans	-89.5	118.1	-178.6	0	0	0	0	0	111.9
457	S	50.9	Low	66.4	Low	76 Å²	76	71.3 Å²	71.3	53%	0.531	37%	0.367	S	S	.	.			trans	-64.9	143.7	169.4	81.3	0	0	0	0	110.4	R459 Q460	S457-R459 PolarHBondContact O-N 2.74Å; S457-Q460 PolarHBondContact O-N 2.8Å
458	V	54.7	Low	68.5	Low	127 Å²	127	72.2 Å²	72.2	77%	0.77	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	1.2	-178.9	-174	0	0	0	0	113.3
459	R	62.2	Low	71	Confident	192 Å²	192	72.2 Å²	72.2	73%	0.725	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	0.8	-174.9	-62.5	-168.3	176.1	178.4	-0.7	114.9	H401 S457	H401-R459 VanDerWaalsContact CB-O 3.3Å; H401-R459 WeakPolarHBondContact CB-O 3.42Å; S457-R459 PolarHBondContact O-N 2.74Å
460	Q	81.4	Confident	73.5	Confident	51 Å²	51	64.4 Å²	64.4	24%	0.238	34%	0.341	C	S	.	.			trans	-88.4	140.6	-174.2	-169.8	164.7	10.3	0	0	111.9	S457 V462 W463 D476	S457-Q460 PolarHBondContact O-N 2.8Å; Q460-V462 VanDerWaalsContact CG-O 3.26Å; Q460-V462 WeakPolarHBondContact CG-O 3.29Å; Q460-V462 PolarHBondContact NE2-O 3.28Å; Q460-W463 HydrophobicContact CB-CH2 4.33Å; Q460-W463 HydrophobicContact CB-CZ2 3.67Å; Q460-W463 HydrophobicContact CG-CD2 4.13Å; Q460-W463 HydrophobicContact CG-CH2 4.36Å; Q460-W463 HydrophobicContact CG-CZ2 3.73Å; Q460-W463 WeakPolarHBondContact O-CH2 3.32Å; Q460-W463 VanDerWaalsContact OE1-NE1 3.08Å; Q460-D476 PolarHBondContact NE2-OD2 2.8Å
461	A	91.1	Very high	75.8	Confident	9 Å²	9	64.1 Å²	64.1	7%	0.074	34%	0.344	C	S	.	.			trans	-129.9	2.2	178.7	0	0	0	0	0	113.1	A399 T428 G429	A399-A461 HydrophobicContact CB-CB 4.16Å; T428-A461 CarbonylContact C-O 3.56Å; T428-A461 WeakPolarHBondContact CA-O 3.47Å; G429-A461 PolarHBondContact N-O 3.18Å
462	V	95.2	Very high	78.2	Confident	23 Å²	23	66.4 Å²	66.4	14%	0.139	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.5	178.3	-176.9	0	0	0	0	108.4	T413 L426 L427 T428 Q460 A478 V485	T413-V462 HydrophobicContact CG2-CG2 3.4Å; T413-V462 VanDerWaalsContact CG2-CG2 3.4Å; L426-V462 HydrophobicContact CD1-CG1 3.81Å; L427-V462 CarbonylContact O-C 3.48Å; L427-V462 WeakPolarHBondContact O-CA 3.27Å; T428-V462 HydrophobicContact CG2-CG2 4.37Å; Q460-V462 VanDerWaalsContact CG-O 3.26Å; Q460-V462 WeakPolarHBondContact CG-O 3.29Å; Q460-V462 PolarHBondContact NE2-O 3.28Å; V462-A478 HydrophobicContact CG1-CB 4.41Å; V462-V485 HydrophobicContact CG1-CG1 3.86Å
463	W	96.6	Very high	80.6	Confident	16 Å²	16	59.4 Å²	59.4	6%	0.061	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.6	172.3	-60.9	-97	0	0	0	109.9	W319 L426 L427 G429 P431 Q460 F465 D476	W319-W463 HydrophobicContact CH2-CD2 4.07Å; W319-W463 HydrophobicContact CH2-CG 4.03Å; L426-W463 WeakPolarHBondContact CA-O 3.43Å; L426-W463 WeakPolarHBondContact CD1-O 3.22Å; L427-W463 HydrophobicContact CB-CB 4.48Å; L427-W463 HydrophobicContact CB-CE3 4.21Å; L427-W463 HydrophobicContact CD1-CB 4.24Å; L427-W463 PolarHBondContact N-O 3.41Å; L427-W463 PolarHBondContact O-N 2.88Å; G429-W463 VanDerWaalsContact O-CZ3 3.28Å; G429-W463 WeakPolarHBondContact O-CZ3 3.33Å; P431-W463 VanDerWaalsContact CD-CZ3 3.43Å; P431-W463 HydrophobicContact CG-CD2 4.43Å; P431-W463 HydrophobicContact CG-CE3 3.66Å; P431-W463 HydrophobicContact CG-CH2 4Å; P431-W463 HydrophobicContact CG-CZ3 3.43Å; P431-W463 VanDerWaalsContact CG-CZ3 3.43Å; Q460-W463 HydrophobicContact CB-CH2 4.33Å; Q460-W463 HydrophobicContact CB-CZ2 3.67Å; Q460-W463 HydrophobicContact CG-CD2 4.13Å; Q460-W463 HydrophobicContact CG-CH2 4.36Å; Q460-W463 HydrophobicContact CG-CZ2 3.73Å; Q460-W463 WeakPolarHBondContact O-CH2 3.32Å; Q460-W463 VanDerWaalsContact OE1-NE1 3.08Å; W463-F465 HydrophobicContact CB-CD2 4.4Å; W463-F465 HydrophobicContact CB-CE2 3.51Å; W463-F465 HydrophobicContact CB-CZ 3.97Å; W463-F465 HydrophobicContact CG-CE2 4.25Å; W463-F465 HydrophobicContact CG-CZ 4.37Å; W463-D476 WeakPolarHBondContact CA-OD1 3.41Å
464	L	98.3	Very high	83	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.8	175.8	-179.6	74.6	0	0	0	110	W424 K425 L426 D476 L477 A478 R481 V484 V485 L488	W424-L464 HydrophobicContact CB-CD1 4.41Å; W424-L464 HydrophobicContact CE3-CD1 4.05Å; W424-L464 HydrophobicContact CE3-CD2 4Å; W424-L464 HydrophobicContact CE3-CG 3.93Å; W424-L464 HydrophobicContact CZ3-CD2 4.08Å; W424-L464 HydrophobicContact CZ3-CG 4.3Å; K425-L464 WeakPolarHBondContact O-CA 3.47Å; L426-L464 HydrophobicContact CB-CD1 4.41Å; L426-L464 HydrophobicContact CD1-CB 4.43Å; L426-L464 HydrophobicContact CD1-CD1 4.15Å; L464-D476 PolarHBondContact N-OD1 3.13Å; L464-L477 HydrophobicContact CD2-CB 4.36Å; L464-L477 PolarHBondContact O-N 3.14Å; L464-A478 HydrophobicContact CB-CB 3.98Å; L464-R481 HydrophobicContact CD2-CB 3.75Å; L464-V484 HydrophobicContact CD1-CG1 3.84Å; L464-V484 HydrophobicContact CD2-CB 3.81Å; L464-V484 HydrophobicContact CD2-CG1 3.87Å; L464-V484 HydrophobicContact CG-CG1 4.48Å; L464-V485 HydrophobicContact CB-CG2 4.11Å; L464-V485 HydrophobicContact CD2-CG2 3.91Å; L464-V485 HydrophobicContact CG-CG2 4.47Å; L464-L488 HydrophobicContact CD1-CD1 3.65Å
465	F	98.6	Very high	85.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.1	177.4	-57.3	-80.4	0	0	0	110.9	W319 W424 K425 L427 W463 I467 E473 E475 D476	W319-F465 AromaticContact CZ3-CE2 3.65Å; W319-F465 HydrophobicContact CZ3-CE2 3.65Å; W319-F465 AromaticContact CZ3-CZ 3.92Å; W319-F465 HydrophobicContact CZ3-CZ 3.92Å; W424-F465 CarbonylContact C-O 3.6Å; W424-F465 WeakPolarHBondContact CA-O 3.25Å; K425-F465 PolarHBondContact N-O 2.67Å; K425-F465 PolarHBondContact O-N 2.69Å; L427-F465 HydrophobicContact CD1-CD2 3.8Å; L427-F465 HydrophobicContact CD1-CE2 3.76Å; W463-F465 HydrophobicContact CB-CD2 4.4Å; W463-F465 HydrophobicContact CB-CE2 3.51Å; W463-F465 HydrophobicContact CB-CZ 3.97Å; W463-F465 HydrophobicContact CG-CE2 4.25Å; W463-F465 HydrophobicContact CG-CZ 4.37Å; F465-I467 HydrophobicContact CB-CD1 3.76Å; F465-I467 HydrophobicContact CB-CG1 4.35Å; F465-I467 PolarHBondContact O-N 2.88Å; F465-E473 HydrophobicContact CB-CG 4.39Å; F465-E473 VanDerWaalsContact CD1-CA 3.48Å; F465-E473 HydrophobicContact CD1-CB 3.84Å; F465-E473 HydrophobicContact CD1-CG 4.32Å; F465-E473 HydrophobicContact CD2-CB 4.05Å; F465-E473 HydrophobicContact CD2-CG 3.92Å; F465-E473 VanDerWaalsContact CE1-C 3.41Å; F465-E473 HydrophobicContact CE1-CB 3.84Å; F465-E473 WeakPolarHBondContact CE1-O 3.2Å; F465-E473 HydrophobicContact CE2-CB 4.06Å; F465-E473 HydrophobicContact CE2-CG 4.31Å; F465-E473 HydrophobicContact CG-CB 3.95Å; F465-E473 HydrophobicContact CG-CG 3.93Å; F465-E473 HydrophobicContact CZ-CB 3.96Å; F465-E475 WeakPolarHBondContact CD1-O 3.41Å; F465-D476 HydrophobicContact CE1-CB 4.03Å; F465-D476 HydrophobicContact CZ-CB 4.22Å
466	N	98.3	Very high	87.4	Confident	24 Å²	24	52.2 Å²	52.2	13%	0.128	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	93.6	160.8	-176.3	-32.3	0	0	0	108	E423 W424 S468 A469 D470 L477	E423-N466 VanDerWaalsContact CD-ND2 3.32Å; E423-N466 CarbonylContact O-C 3.59Å; E423-N466 WeakPolarHBondContact O-CA 3.44Å; E423-N466 PolarHBondContact OE2-ND2 3.24Å; W424-N466 HydrophobicContact CE3-CB 4.14Å; W424-N466 HydrophobicContact CH2-CB 4.14Å; W424-N466 HydrophobicContact CZ3-CB 3.87Å; N466-S468 PolarHBondContact O-N 2.89Å; N466-S468 PolarHBondContact OD1-N 3.35Å; N466-S468 VanDerWaalsContact OD1-N 3.1Å; N466-A469 HydrophobicContact CB-CB 4.42Å; N466-A469 PolarHBondContact O-N 3.03Å; N466-A469 PolarHBondContact OD1-N 3.26Å; N466-A469 VanDerWaalsContact OD1-N 3.13Å; N466-D470 WeakPolarHBondContact O-CA 3.33Å; N466-D470 PolarHBondContact O-N 3.1Å; N466-L477 HydrophobicContact CB-CD1 4.38Å
467	I	97.5	Very high	89.7	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.1	-175.4	-62.8	-60.2	0	0	0	112.8	E320 E423 K425 F465 P471 E473	E320-I467 HydrophobicContact CG-CD1 4Å; E423-I467 PolarHBondContact O-N 3.14Å; K425-I467 HydrophobicContact CB-CD1 4.05Å; K425-I467 HydrophobicContact CB-CG1 3.39Å; K425-I467 HydrophobicContact CD-CD1 3.91Å; K425-I467 HydrophobicContact CD-CG1 3.91Å; K425-I467 HydrophobicContact CG-CG1 4.31Å; F465-I467 HydrophobicContact CB-CD1 3.76Å; F465-I467 HydrophobicContact CB-CG1 4.35Å; F465-I467 PolarHBondContact O-N 2.88Å; I467-P471 WeakPolarHBondContact O-CA 3.49Å; I467-E473 HydrophobicContact CD1-CG 3.56Å
468	S	94.1	Very high	91.9	Very high	76 Å²	76	48.7 Å²	48.7	53%	0.531	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-35.5	178	-54.3	0	0	0	0	111.8	E423 N466	E423-S468 WeakPolarHBondContact CA-OG 3.39Å; E423-S468 VanDerWaalsContact CB-OG 3.27Å; E423-S468 WeakPolarHBondContact CB-OG 3.21Å; N466-S468 PolarHBondContact O-N 2.89Å; N466-S468 PolarHBondContact OD1-N 3.35Å; N466-S468 VanDerWaalsContact OD1-N 3.1Å
469	A	96.7	Very high	93.8	Very high	82 Å²	82	46.2 Å²	46.2	68%	0.678	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-35.6	175.2	0	0	0	0	0	112.8	N466 P471	N466-A469 HydrophobicContact CB-CB 4.42Å; N466-A469 PolarHBondContact O-N 3.03Å; N466-A469 PolarHBondContact OD1-N 3.26Å; N466-A469 VanDerWaalsContact OD1-N 3.13Å; A469-P471 WeakPolarHBondContact O-CD 3.35Å
470	D	97.3	Very high	95.4	Very high	25 Å²	25	42.9 Å²	42.9	13%	0.134	25%	0.248	C	C	.	.			trans	-126.7	76.2	-178	177.4	20.9	0	0	0	110.4	N466 Y472 E473 R474 E475	N466-D470 WeakPolarHBondContact O-CA 3.33Å; N466-D470 PolarHBondContact O-N 3.1Å; D470-Y472 PolarHBondContact O-N 2.98Å; D470-Y472 PolarHBondContact OD1-N 3.17Å; D470-E473 PolarHBondContact O-N 3.3Å; D470-E473 PolarHBondContact OD1-N 2.85Å; D470-E473 VanDerWaalsContact OD1-N 3.13Å; D470-E473 WeakPolarHBondContact OD2-CA 3.37Å; D470-R474 PolarHBondContact OD1-N 3.14Å; D470-R474 WeakPolarHBondContact OD2-CA 3.08Å; D470-R474 PolarHBondContact OD2-N 3.13Å; D470-E475 PolarHBondContact OD2-N 3.08Å
471	P	96.3	Very high	96.2	Very high	29 Å²	29	44.7 Å²	44.7	19%	0.188	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.2	179.2	28.3	-35.9	0	0	0	113.6	I467 A469	I467-P471 WeakPolarHBondContact O-CA 3.49Å; A469-P471 WeakPolarHBondContact O-CD 3.35Å
472	Y	96.3	Very high	96.5	Very high	98 Å²	98	47.3 Å²	47.3	38%	0.384	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-1.7	-174.1	-50.4	-38.2	0	0	0	112.4	P310 L311 W436 D470 R474	P310-Y472 HydrophobicContact CB-CD1 4.27Å; P310-Y472 HydrophobicContact CB-CE1 4.21Å; P310-Y472 HydrophobicContact CG-CD1 3.88Å; P310-Y472 HydrophobicContact CG-CE1 3.37Å; P310-Y472 HydrophobicContact CG-CE2 4.23Å; L311-Y472 HydrophobicContact CD2-CD1 3.91Å; L311-Y472 HydrophobicContact CD2-CE1 4.15Å; W436-Y472 WeakPolarHBondContact CZ2-O 3.25Å; W436-Y472 PolarHBondContact NE1-O 3.07Å; D470-Y472 PolarHBondContact O-N 2.98Å; D470-Y472 PolarHBondContact OD1-N 3.17Å; Y472-R474 PolarHBondContact O-N 2.74Å
473	E	97.1	Very high	96.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.283	C	S	.	.			trans	61.2	40.3	176.2	-59.4	169.7	126.8	0	0	113.5	R312 W319 E320 K425 W436 F465 I467 D470	R312-E473 HydrophobicContact CB-CB 4.36Å; R312-E473 PolarHBondContact NH1-O 2.77Å; W319-E473 WeakPolarHBondContact CA-OE2 3.49Å; E320-E473 HydrophobicContact CG-CG 3.95Å; E320-E473 PolarHBondContact N-OE2 2.87Å; K425-E473 WeakPolarHBondContact CE-OE1 3.36Å; K425-E473 IonicContact NZ-OE1 3.55Å; K425-E473 PolarHBondContact NZ-OE1 2.86Å; W436-E473 WeakPolarHBondContact CH2-O 3.28Å; W436-E473 WeakPolarHBondContact CZ2-O 3.26Å; F465-E473 HydrophobicContact CB-CG 4.39Å; F465-E473 VanDerWaalsContact CD1-CA 3.48Å; F465-E473 HydrophobicContact CD1-CB 3.84Å; F465-E473 HydrophobicContact CD1-CG 4.32Å; F465-E473 HydrophobicContact CD2-CB 4.05Å; F465-E473 HydrophobicContact CD2-CG 3.92Å; F465-E473 VanDerWaalsContact CE1-C 3.41Å; F465-E473 HydrophobicContact CE1-CB 3.84Å; F465-E473 WeakPolarHBondContact CE1-O 3.2Å; F465-E473 HydrophobicContact CE2-CB 4.06Å; F465-E473 HydrophobicContact CE2-CG 4.31Å; F465-E473 HydrophobicContact CG-CB 3.95Å; F465-E473 HydrophobicContact CG-CG 3.93Å; F465-E473 HydrophobicContact CZ-CB 3.96Å; I467-E473 HydrophobicContact CD1-CG 3.56Å; D470-E473 PolarHBondContact O-N 3.3Å; D470-E473 PolarHBondContact OD1-N 2.85Å; D470-E473 VanDerWaalsContact OD1-N 3.13Å; D470-E473 WeakPolarHBondContact OD2-CA 3.37Å
474	R	94.4	Very high	96.7	Very high	68 Å²	68	50 Å²	50	26%	0.257	28%	0.284	S	S	.	.			trans	-80.4	-41	-177.4	-64	-75.5	175	151.4	-16.7	112.5	W436 E453 M455 D470 Y472	W436-R474 VanDerWaalsContact CD1-NH2 3.34Å; W436-R474 HydrophobicContact CZ2-CG 4.18Å; E453-R474 IonicContact OE1-CZ 3.09Å; E453-R474 IonicContact OE1-NH1 3.49Å; E453-R474 PolarHBondContact OE1-NH1 3.05Å; E453-R474 IonicContact OE1-NH2 2.81Å; E453-R474 IonicContact OE2-CZ 2.86Å; E453-R474 IonicContact OE2-NH1 3.79Å; E453-R474 PolarHBondContact OE2-NH1 2.67Å; E453-R474 IonicContact OE2-NH2 3.37Å; E453-R474 PolarHBondContact OE2-NH2 3.37Å; M455-R474 VanDerWaalsContact SD-O 3.41Å; D470-R474 PolarHBondContact OD1-N 3.14Å; D470-R474 WeakPolarHBondContact OD2-CA 3.08Å; D470-R474 PolarHBondContact OD2-N 3.13Å; Y472-R474 PolarHBondContact O-N 2.74Å
475	E	94.9	Very high	96.7	Very high	109 Å²	109	50.3 Å²	50.3	51%	0.509	29%	0.286	S	S	.	.	S	Bend	trans	-111.6	106.7	-175.6	-170.2	178.9	179.9	0	0	110.8	F465 D470 L477	F465-E475 WeakPolarHBondContact CD1-O 3.41Å; D470-E475 PolarHBondContact OD2-N 3.08Å; E475-L477 HydrophobicContact CG-CD2 3.94Å; E475-L477 PolarHBondContact O-N 2.93Å
476	D	95.4	Very high	96.7	Very high	48 Å²	48	56.2 Å²	56.2	26%	0.257	31%	0.308	S	S	.	.			trans	-76.9	123.4	172.6	172.4	43.9	0	0	0	111.2	Q460 W463 L464 F465 A478	Q460-D476 PolarHBondContact NE2-OD2 2.8Å; W463-D476 WeakPolarHBondContact CA-OD1 3.41Å; L464-D476 PolarHBondContact N-OD1 3.13Å; F465-D476 HydrophobicContact CE1-CB 4.03Å; F465-D476 HydrophobicContact CZ-CB 4.22Å; D476-A478 VanDerWaalsContact OD1-CB 3.29Å; D476-A478 WeakPolarHBondContact OD1-CB 3.49Å; D476-A478 PolarHBondContact OD1-N 2.84Å
477	L	97.3	Very high	96.7	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.126	33%	0.328	C	S	.	.			trans	-105.6	5.8	-177	-60.7	176.1	0	0	0	112.6	W424 L464 N466 E475 G479 Q480 R481	W424-L477 HydrophobicContact CH2-CD1 4.12Å; W424-L477 HydrophobicContact CZ3-CD1 3.72Å; L464-L477 HydrophobicContact CD2-CB 4.36Å; L464-L477 PolarHBondContact O-N 3.14Å; N466-L477 HydrophobicContact CB-CD1 4.38Å; E475-L477 HydrophobicContact CG-CD2 3.94Å; E475-L477 PolarHBondContact O-N 2.93Å; L477-G479 VanDerWaalsContact C-N 3.32Å; L477-G479 PolarHBondContact O-N 3.41Å; L477-Q480 PolarHBondContact O-N 3.17Å; L477-R481 PolarHBondContact O-N 3.27Å
478	A	95.7	Very high	96.7	Very high	16 Å²	16	59.2 Å²	59.2	13%	0.132	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-41.2	-173.8	0	0	0	0	0	112.9	V462 L464 D476 V485	V462-A478 HydrophobicContact CG1-CB 4.41Å; L464-A478 HydrophobicContact CB-CB 3.98Å; D476-A478 VanDerWaalsContact OD1-CB 3.29Å; D476-A478 WeakPolarHBondContact OD1-CB 3.49Å; D476-A478 PolarHBondContact OD1-N 2.84Å; A478-V485 HydrophobicContact CB-CG2 4.07Å
479	G	94.6	Very high	97	Very high	75 Å²	75	55.7 Å²	55.7	77%	0.773	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.7	175.7	0	0	0	0	0	114.1	L477	L477-G479 VanDerWaalsContact C-N 3.32Å; L477-G479 PolarHBondContact O-N 3.41Å
480	Q	97.3	Very high	97	Very high	122 Å²	122	53.2 Å²	53.2	57%	0.57	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-27.6	-178.3	-56.9	-177	38.5	0	0	112.4	L477 P482	L477-Q480 PolarHBondContact O-N 3.17Å; Q480-P482 VanDerWaalsContact C-CD 3.4Å; Q480-P482 WeakPolarHBondContact O-CD 3.49Å
481	R	97.6	Very high	97.1	Very high	90 Å²	90	55.2 Å²	55.2	34%	0.34	29%	0.288	S	S	.	.			trans	-127.3	59.9	-174.3	-63.5	-58.7	-56.5	-82.7	2.5	112.8	W424 L464 L477 D483 V484 V485	W424-R481 HydrophobicContact CH2-CG 4.48Å; L464-R481 HydrophobicContact CD2-CB 3.75Å; L477-R481 PolarHBondContact O-N 3.27Å; R481-D483 VanDerWaalsContact CA-OD1 3.26Å; R481-D483 WeakPolarHBondContact CA-OD1 3.29Å; R481-D483 IonicContact CZ-OD1 2.87Å; R481-D483 IonicContact CZ-OD2 3.52Å; R481-D483 IonicContact NE-OD1 3.15Å; R481-D483 PolarHBondContact NE-OD1 2.79Å; R481-D483 IonicContact NE-OD2 3.81Å; R481-D483 PolarHBondContact NE-OD2 3.26Å; R481-D483 IonicContact NH2-OD1 2.73Å; R481-D483 IonicContact NH2-OD2 3.55Å; R481-D483 PolarHBondContact NH2-OD2 3.33Å; R481-D483 PolarHBondContact O-N 3.22Å; R481-V484 HydrophobicContact CB-CB 4.17Å; R481-V484 HydrophobicContact CB-CG2 4.04Å; R481-V484 PolarHBondContact O-N 2.69Å; R481-V484 VanDerWaalsContact O-N 3.1Å; R481-V485 WeakPolarHBondContact O-CG2 3.4Å; R481-V485 PolarHBondContact O-N 3.1Å
482	P	96.9	Very high	97.2	Very high	64 Å²	64	53.9 Å²	53.9	42%	0.416	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-22.9	178.8	27.8	-35.8	0	0	0	113.1	F408 Q480 R486	F408-P482 HydrophobicContact CZ-CB 4.42Å; Q480-P482 VanDerWaalsContact C-CD 3.4Å; Q480-P482 WeakPolarHBondContact O-CD 3.49Å; P482-R486 VanDerWaalsContact O-CB 3.32Å; P482-R486 WeakPolarHBondContact O-CB 3.46Å; P482-R486 PolarHBondContact O-N 2.61Å
483	D	97.8	Very high	97.3	Very high	81 Å²	81	49.8 Å²	49.8	43%	0.433	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-47.3	171.8	61	-49.1	0	0	0	111.9	R481 T487	R481-D483 VanDerWaalsContact CA-OD1 3.26Å; R481-D483 WeakPolarHBondContact CA-OD1 3.29Å; R481-D483 IonicContact CZ-OD1 2.87Å; R481-D483 IonicContact CZ-OD2 3.52Å; R481-D483 IonicContact NE-OD1 3.15Å; R481-D483 PolarHBondContact NE-OD1 2.79Å; R481-D483 IonicContact NE-OD2 3.81Å; R481-D483 PolarHBondContact NE-OD2 3.26Å; R481-D483 IonicContact NH2-OD1 2.73Å; R481-D483 IonicContact NH2-OD2 3.55Å; R481-D483 PolarHBondContact NH2-OD2 3.33Å; R481-D483 PolarHBondContact O-N 3.22Å; D483-T487 PolarHBondContact O-N 3.38Å; D483-T487 PolarHBondContact O-OG1 2.85Å
484	V	98.3	Very high	97.3	Very high	14 Å²	14	53.3 Å²	53.3	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-70.4	-44.5	177.8	-177.6	0	0	0	0	110.2	W424 L464 R481 R486 T487 L488	W424-V484 HydrophobicContact CB-CG1 4.16Å; W424-V484 HydrophobicContact CD2-CG1 3.79Å; W424-V484 HydrophobicContact CE3-CG1 4.11Å; W424-V484 HydrophobicContact CG-CG1 3.78Å; L464-V484 HydrophobicContact CD1-CG1 3.84Å; L464-V484 HydrophobicContact CD2-CB 3.81Å; L464-V484 HydrophobicContact CD2-CG1 3.87Å; L464-V484 HydrophobicContact CG-CG1 4.48Å; R481-V484 HydrophobicContact CB-CB 4.17Å; R481-V484 HydrophobicContact CB-CG2 4.04Å; R481-V484 PolarHBondContact O-N 2.69Å; R481-V484 VanDerWaalsContact O-N 3.1Å; V484-R486 VanDerWaalsContact C-N 3.33Å; V484-R486 PolarHBondContact O-N 3.08Å; V484-T487 WeakPolarHBondContact O-CB 3.5Å; V484-T487 PolarHBondContact O-N 3.08Å; V484-T487 VanDerWaalsContact O-N 3.13Å; V484-L488 HydrophobicContact CG1-CD1 3.97Å; V484-L488 HydrophobicContact CG1-CG 4.23Å; V484-L488 WeakPolarHBondContact O-CG 3.47Å; V484-L488 PolarHBondContact O-N 2.94Å
485	V	98.4	Very high	97.5	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-53.9	-51.2	176.4	174.4	0	0	0	0	110.6	F408 L426 V462 L464 A478 R481 T487 L488 L489	F408-V485 HydrophobicContact CE2-CG1 4.02Å; L426-V485 HydrophobicContact CD1-CB 4.4Å; L426-V485 HydrophobicContact CD1-CG1 4.07Å; L426-V485 HydrophobicContact CD1-CG2 4.23Å; V462-V485 HydrophobicContact CG1-CG1 3.86Å; L464-V485 HydrophobicContact CB-CG2 4.11Å; L464-V485 HydrophobicContact CD2-CG2 3.91Å; L464-V485 HydrophobicContact CG-CG2 4.47Å; A478-V485 HydrophobicContact CB-CG2 4.07Å; R481-V485 WeakPolarHBondContact O-CG2 3.4Å; R481-V485 PolarHBondContact O-N 3.1Å; V485-T487 VanDerWaalsContact C-N 3.29Å; V485-T487 PolarHBondContact O-N 3.36Å; V485-L488 PolarHBondContact O-N 2.82Å; V485-L489 HydrophobicContact CG1-CD1 3.68Å; V485-L489 HydrophobicContact CG1-CG 4.12Å; V485-L489 WeakPolarHBondContact O-CB 3.44Å; V485-L489 VanDerWaalsContact O-CG 3.25Å; V485-L489 WeakPolarHBondContact O-CG 3.18Å; V485-L489 PolarHBondContact O-N 2.87Å
486	R	98.1	Very high	97.7	Very high	123 Å²	123	49.6 Å²	49.6	46%	0.464	27%	0.269	S	S	.	.	H	α-helix	trans	-57.6	-42.9	179.1	-175.6	-173.4	-64.5	-103.1	0.7	112.1	F408 I410 P482 V484 A490	F408-R486 VanDerWaalsContact CD1-NH2 3.31Å; F408-R486 HydrophobicContact CD2-CB 4.3Å; F408-R486 HydrophobicContact CD2-CG 4.48Å; F408-R486 HydrophobicContact CE2-CB 4.37Å; I410-R486 HydrophobicContact CD1-CG 3.75Å; P482-R486 VanDerWaalsContact O-CB 3.32Å; P482-R486 WeakPolarHBondContact O-CB 3.46Å; P482-R486 PolarHBondContact O-N 2.61Å; V484-R486 VanDerWaalsContact C-N 3.33Å; V484-R486 PolarHBondContact O-N 3.08Å; R486-A490 PolarHBondContact O-N 2.75Å
487	T	98.4	Very high	97.7	Very high	87 Å²	87	56.6 Å²	56.6	53%	0.534	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-46.1	179	-57.8	0	0	0	0	111.4	D483 V484 V485 A490 R491	D483-T487 PolarHBondContact O-N 3.38Å; D483-T487 PolarHBondContact O-OG1 2.85Å; V484-T487 WeakPolarHBondContact O-CB 3.5Å; V484-T487 PolarHBondContact O-N 3.08Å; V484-T487 VanDerWaalsContact O-N 3.13Å; V485-T487 VanDerWaalsContact C-N 3.29Å; V485-T487 PolarHBondContact O-N 3.36Å; T487-A490 WeakPolarHBondContact O-CB 3.19Å; T487-A490 PolarHBondContact O-N 3.15Å; T487-R491 PolarHBondContact O-N 3.43Å; T487-R491 VanDerWaalsContact O-N 3.08Å
488	L	98.6	Very high	97.7	Very high	6 Å²	6	59 Å²	59	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-72.9	-33.3	-179.2	-62.8	-175.8	0	0	0	112.8	I419 V421 W424 L426 L464 V484 V485 A490 R491 L492	I419-L488 HydrophobicContact CG2-CB 4.26Å; V421-L488 HydrophobicContact CB-CD2 3.63Å; V421-L488 HydrophobicContact CG1-CD2 4.5Å; V421-L488 HydrophobicContact CG2-CD2 3.5Å; W424-L488 HydrophobicContact CB-CD1 3.82Å; L426-L488 HydrophobicContact CB-CB 3.88Å; L426-L488 HydrophobicContact CB-CD1 3.71Å; L426-L488 HydrophobicContact CB-CG 4.46Å; L426-L488 HydrophobicContact CD2-CB 3.73Å; L426-L488 HydrophobicContact CG-CB 4.26Å; L464-L488 HydrophobicContact CD1-CD1 3.65Å; V484-L488 HydrophobicContact CG1-CD1 3.97Å; V484-L488 HydrophobicContact CG1-CG 4.23Å; V484-L488 WeakPolarHBondContact O-CG 3.47Å; V484-L488 PolarHBondContact O-N 2.94Å; V485-L488 PolarHBondContact O-N 2.82Å; L488-A490 VanDerWaalsContact C-N 3.32Å; L488-R491 PolarHBondContact O-N 3.42Å; L488-L492 PolarHBondContact O-N 2.61Å
489	L	98.6	Very high	97.8	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-64	-37.4	170.7	-69.8	173.6	0	0	0	111.8	F408 W411 T413 L426 T428 V485 L492 A493	F408-L489 HydrophobicContact CD2-CD1 3.85Å; F408-L489 HydrophobicContact CE2-CD1 4.07Å; W411-L489 HydrophobicContact CB-CB 4.06Å; W411-L489 HydrophobicContact CB-CD2 3.86Å; W411-L489 HydrophobicContact CB-CG 4.44Å; W411-L489 HydrophobicContact CG-CD2 3.88Å; T413-L489 HydrophobicContact CG2-CD2 4.3Å; L426-L489 HydrophobicContact CD2-CD2 3.63Å; L426-L489 HydrophobicContact CD2-CG 3.88Å; T428-L489 HydrophobicContact CG2-CD2 3.63Å; V485-L489 HydrophobicContact CG1-CD1 3.68Å; V485-L489 HydrophobicContact CG1-CG 4.12Å; V485-L489 WeakPolarHBondContact O-CB 3.44Å; V485-L489 VanDerWaalsContact O-CG 3.25Å; V485-L489 WeakPolarHBondContact O-CG 3.18Å; V485-L489 PolarHBondContact O-N 2.87Å; L489-L492 HydrophobicContact CD2-CD1 4.44Å; L489-L492 PolarHBondContact O-N 3.31Å; L489-A493 PolarHBondContact O-N 3.25Å
490	A	98.4	Very high	97.9	Very high	31 Å²	31	59.4 Å²	59.4	26%	0.256	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-41.7	173.3	0	0	0	0	0	111.7	I410 R486 T487 L488 A493 E494	I410-A490 HydrophobicContact CG2-CB 4.19Å; R486-A490 PolarHBondContact O-N 2.75Å; T487-A490 WeakPolarHBondContact O-CB 3.19Å; T487-A490 PolarHBondContact O-N 3.15Å; L488-A490 VanDerWaalsContact C-N 3.32Å; A490-A493 WeakPolarHBondContact O-CB 3.36Å; A490-A493 PolarHBondContact O-N 2.96Å; A490-E494 WeakPolarHBondContact O-CG 3.38Å; A490-E494 PolarHBondContact O-N 3.21Å
491	R	98.5	Very high	97.9	Very high	67 Å²	67	58.9 Å²	58.9	25%	0.253	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-41.5	173	-69.9	-61.1	-60.9	147.4	-0.3	112.6	E387 I419 T487 L488 A493 E494 Y495	E387-R491 IonicContact OE1-CZ 3.25Å; E387-R491 IonicContact OE1-NH2 2.67Å; E387-R491 PolarHBondContact OE1-NH2 2.92Å; E387-R491 IonicContact OE2-CZ 2.66Å; E387-R491 IonicContact OE2-NE 3.28Å; E387-R491 PolarHBondContact OE2-NE 3.39Å; E387-R491 VanDerWaalsContact OE2-NE 3.15Å; E387-R491 IonicContact OE2-NH2 2.92Å; E387-R491 PolarHBondContact OE2-NH2 2.73Å; I419-R491 HydrophobicContact CD1-CB 3.63Å; T487-R491 PolarHBondContact O-N 3.43Å; T487-R491 VanDerWaalsContact O-N 3.08Å; L488-R491 PolarHBondContact O-N 3.42Å; R491-A493 VanDerWaalsContact C-N 3.34Å; R491-A493 PolarHBondContact O-N 3.04Å; R491-E494 WeakPolarHBondContact CD-OE2 3.25Å; R491-E494 IonicContact CZ-OE2 2.77Å; R491-E494 IonicContact NE-OE2 3.78Å; R491-E494 IonicContact NH1-OE2 3.64Å; R491-E494 PolarHBondContact NH1-OE2 3.25Å; R491-E494 PolarHBondContact O-N 3.15Å; R491-Y495 WeakPolarHBondContact O-CD2 3.08Å; R491-Y495 PolarHBondContact O-N 3.3Å
492	L	98.3	Very high	97.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-44.6	172	-79	178.2	0	0	0	111.9	L389 I392 W411 A417 I419 L426 T428 L488 L489 E494 Y495 N496	L389-L492 HydrophobicContact CD1-CD2 3.64Å; I392-L492 HydrophobicContact CD1-CD2 4.43Å; I392-L492 HydrophobicContact CG1-CD2 4.28Å; W411-L492 HydrophobicContact CD2-CB 4.02Å; W411-L492 HydrophobicContact CD2-CD1 4.5Å; W411-L492 HydrophobicContact CE3-CB 3.96Å; W411-L492 HydrophobicContact CH2-CB 4.25Å; W411-L492 HydrophobicContact CZ2-CB 4.31Å; W411-L492 HydrophobicContact CZ2-CD1 4.41Å; W411-L492 HydrophobicContact CZ3-CB 4.08Å; W411-L492 WeakPolarHBondContact CZ3-O 3.26Å; A417-L492 HydrophobicContact CB-CD1 4.05Å; A417-L492 HydrophobicContact CB-CD2 4.07Å; I419-L492 HydrophobicContact CB-CD2 3.76Å; I419-L492 HydrophobicContact CB-CG 4.2Å; I419-L492 HydrophobicContact CG2-CD1 4.27Å; I419-L492 HydrophobicContact CG2-CD2 3.93Å; I419-L492 HydrophobicContact CG2-CG 3.79Å; L426-L492 HydrophobicContact CD2-CD1 3.86Å; T428-L492 HydrophobicContact CG2-CD1 4.25Å; L488-L492 PolarHBondContact O-N 2.61Å; L489-L492 HydrophobicContact CD2-CD1 4.44Å; L489-L492 PolarHBondContact O-N 3.31Å; L492-E494 VanDerWaalsContact C-N 3.27Å; L492-E494 PolarHBondContact O-N 3.33Å; L492-Y495 PolarHBondContact O-N 3.41Å; L492-N496 WeakPolarHBondContact O-CB 3.2Å; L492-N496 PolarHBondContact O-N 3.08Å
493	A	98.2	Very high	97.9	Very high	12 Å²	12	57.2 Å²	57.2	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-35.7	176.9	0	0	0	0	0	112.2	I410 W411 L489 A490 R491 N496 R497	I410-A493 HydrophobicContact CG2-CB 4.06Å; W411-A493 HydrophobicContact CE3-CB 4.1Å; L489-A493 PolarHBondContact O-N 3.25Å; A490-A493 WeakPolarHBondContact O-CB 3.36Å; A490-A493 PolarHBondContact O-N 2.96Å; R491-A493 VanDerWaalsContact C-N 3.34Å; R491-A493 PolarHBondContact O-N 3.04Å; A493-N496 PolarHBondContact O-N 3.02Å; A493-R497 WeakPolarHBondContact O-CG 3.07Å; A493-R497 PolarHBondContact O-N 3.35Å
494	E	98.3	Very high	97.9	Very high	75 Å²	75	57.3 Å²	57.3	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-67.7	-46.2	176.1	-74.1	168.9	175.4	0	0	112.4	A490 R491 L492 N496 R497	A490-E494 WeakPolarHBondContact O-CG 3.38Å; A490-E494 PolarHBondContact O-N 3.21Å; R491-E494 WeakPolarHBondContact CD-OE2 3.25Å; R491-E494 IonicContact CZ-OE2 2.77Å; R491-E494 IonicContact NE-OE2 3.78Å; R491-E494 IonicContact NH1-OE2 3.64Å; R491-E494 PolarHBondContact NH1-OE2 3.25Å; R491-E494 PolarHBondContact O-N 3.15Å; L492-E494 VanDerWaalsContact C-N 3.27Å; L492-E494 PolarHBondContact O-N 3.33Å; E494-N496 VanDerWaalsContact C-N 3.3Å; E494-N496 PolarHBondContact O-N 3.2Å; E494-R497 WeakPolarHBondContact O-CB 3.43Å; E494-R497 PolarHBondContact O-N 2.91Å
495	Y	98.4	Very high	97.8	Very high	23 Å²	23	58.7 Å²	58.7	9%	0.09	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-40.6	171.7	-81.1	-64.3	0	0	0	112.3	Y105 I107 E387 L389 I419 R491 L492 R497 T498 A499	Y105-Y495 HydrophobicContact CE2-CE1 4.35Å; I107-Y495 HydrophobicContact CD1-CD1 4.21Å; E387-Y495 WeakPolarHBondContact CG-OH 3.42Å; E387-Y495 PolarHBondContact OE1-OH 3.27Å; L389-Y495 HydrophobicContact CB-CD1 4.38Å; L389-Y495 HydrophobicContact CB-CD2 4.18Å; L389-Y495 HydrophobicContact CB-CE1 4.28Å; L389-Y495 HydrophobicContact CB-CE2 4.05Å; L389-Y495 HydrophobicContact CB-CG 4.32Å; L389-Y495 HydrophobicContact CD1-CD2 4.01Å; L389-Y495 HydrophobicContact CD1-CG 4.24Å; L389-Y495 HydrophobicContact CD2-CD1 4.03Å; L389-Y495 HydrophobicContact CD2-CD2 4.41Å; L389-Y495 HydrophobicContact CD2-CG 3.88Å; L389-Y495 HydrophobicContact CG-CD2 4.44Å; L389-Y495 HydrophobicContact CG-CG 4.39Å; I419-Y495 HydrophobicContact CD1-CD2 3.93Å; I419-Y495 HydrophobicContact CD1-CE2 3.66Å; I419-Y495 HydrophobicContact CG1-CE2 4.43Å; R491-Y495 WeakPolarHBondContact O-CD2 3.08Å; R491-Y495 PolarHBondContact O-N 3.3Å; L492-Y495 PolarHBondContact O-N 3.41Å; Y495-R497 PolarHBondContact O-N 3.28Å; Y495-T498 PolarHBondContact O-N 3.05Å; Y495-T498 PolarHBondContact O-OG1 2.87Å; Y495-A499 PolarHBondContact O-N 2.89Å
496	N	97.8	Very high	97.6	Very high	75 Å²	75	62.4 Å²	62.4	40%	0.401	33%	0.326	S	S	.	.	H	α-helix	trans	-66.1	-22.3	-180	-165.5	48.5	0	0	0	113.2	I392 W411 L492 A493 E494 T498 A499	I392-N496 HydrophobicContact CD1-CB 3.98Å; W411-N496 HydrophobicContact CH2-CB 3.9Å; W411-N496 HydrophobicContact CZ3-CB 3.5Å; L492-N496 WeakPolarHBondContact O-CB 3.2Å; L492-N496 PolarHBondContact O-N 3.08Å; A493-N496 PolarHBondContact O-N 3.02Å; E494-N496 VanDerWaalsContact C-N 3.3Å; E494-N496 PolarHBondContact O-N 3.2Å; N496-T498 VanDerWaalsContact C-N 3.27Å; N496-T498 PolarHBondContact O-N 2.86Å; N496-A499 WeakPolarHBondContact O-CB 3.28Å; N496-A499 PolarHBondContact O-N 3Å
497	R	97.3	Very high	97.4	Very high	195 Å²	195	60.9 Å²	60.9	74%	0.736	32%	0.324	S	S	*	.	H	α-helix	trans	-70.2	-24.2	173.3	-70.8	170.6	-169.3	152.8	4.3	112.7	A493 E494 Y495	A493-R497 WeakPolarHBondContact O-CG 3.07Å; A493-R497 PolarHBondContact O-N 3.35Å; E494-R497 WeakPolarHBondContact O-CB 3.43Å; E494-R497 PolarHBondContact O-N 2.91Å; Y495-R497 PolarHBondContact O-N 3.28Å
498	T	96.9	Very high	97.2	Very high	75 Å²	75	59 Å²	59	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-93.3	-10.7	176.2	70.4	0	0	0	0	112.5	H108 Y495 N496 I500	H108-T498 PolarHBondContact CD2-O 3.33Å; H108-T498 PolarHBondContact NE2-OG1 3.49Å; Y495-T498 PolarHBondContact O-N 3.05Å; Y495-T498 PolarHBondContact O-OG1 2.87Å; N496-T498 VanDerWaalsContact C-N 3.27Å; N496-T498 PolarHBondContact O-N 2.86Å; T498-I500 PolarHBondContact O-N 2.81Å
499	A	97.4	Very high	97	Very high	29 Å²	29	63.4 Å²	63.4	24%	0.24	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-65.2	132.9	-178.1	0	0	0	0	0	112.2	I107 Y495 N496	I107-A499 HydrophobicContact CB-CB 3.85Å; I107-A499 HydrophobicContact CG2-CB 4.27Å; I107-A499 CarbonylContact O-C 3.57Å; I107-A499 WeakPolarHBondContact O-CA 3.4Å; Y495-A499 PolarHBondContact O-N 2.89Å; N496-A499 WeakPolarHBondContact O-CB 3.28Å; N496-A499 PolarHBondContact O-N 3Å
500	I	97.1	Very high	96.7	Very high	71 Å²	71	68.3 Å²	68.3	36%	0.364	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-86	158.1	169.3	74.1	170.4	0	0	0	110.3	I107 Q112 T498	I107-I500 WeakPolarHBondContact O-CG1 3.37Å; I107-I500 PolarHBondContact O-N 2.71Å; Q112-I500 PolarHBondContact NE2-O 3.47Å; T498-I500 PolarHBondContact O-N 2.81Å
501	P	97.2	Very high	96.5	Very high	111 Å²	111	67 Å²	67	72%	0.721	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-56.3	142.8	178.7	-25.9	35.4	0	0	0	112.9	R503	P501-R503 PolarHBondContact O-N 3.23Å
502	V	97.6	Very high	96.4	Very high	34 Å²	34	65.7 Å²	65.7	21%	0.206	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-61.6	129.1	174.8	-174.3	0	0	0	0	110.2	Q112 H113 P394 L395	Q112-V502 HydrophobicContact CB-CG2 4.22Å; Q112-V502 HydrophobicContact CG-CG2 4.47Å; H113-V502 HydrophobicContact CB-CG1 3.55Å; P394-V502 HydrophobicContact CG-CG2 3.65Å; L395-V502 HydrophobicContact CD1-CB 4.02Å; L395-V502 HydrophobicContact CD1-CG1 3.65Å; L395-V502 HydrophobicContact CG-CB 4.4Å; L395-V502 HydrophobicContact CG-CG1 4.3Å; L395-V502 HydrophobicContact CG-CG2 4.38Å
503	R	97.3	Very high	96.3	Very high	85 Å²	85	65.8 Å²	65.8	32%	0.321	34%	0.344	S	S	.	.			trans	-101.1	95	174.4	-65.6	174.8	63.7	-127.7	0.6	109.1	G110 N122 C123 P501	G110-R503 WeakPolarHBondContact O-CA 3.34Å; G110-R503 WeakPolarHBondContact O-CB 3.34Å; G110-R503 PolarHBondContact O-N 2.94Å; N122-R503 PolarHBondContact ND2-O 3.49Å; N122-R503 PolarHBondContact OD1-NH1 3.13Å; N122-R503 VanDerWaalsContact OD1-NH1 3.13Å; N122-R503 PolarHBondContact OD1-NH2 3.32Å; C123-R503 PolarHBondContact O-NH1 3.37Å; P501-R503 PolarHBondContact O-N 3.23Å
504	Y	96.3	Very high	96.2	Very high	82 Å²	82	70.8 Å²	70.8	32%	0.322	37%	0.369	S	S	.	.			trans	-134.5	72.8	176.2	-162.1	-108.2	0	0	0	110.1	H113 S114 Q120	H113-Y504 AromaticContact CD2-CD1 3.66Å; H113-Y504 AromaticContact CD2-CD2 3.8Å; H113-Y504 AromaticContact CD2-CE1 3.75Å; H113-Y504 AromaticContact CD2-CE2 3.9Å; H113-Y504 AromaticContact CD2-CG 3.67Å; H113-Y504 AromaticContact CD2-CZ 3.85Å; S114-Y504 PolarHBondContact OG-OH 3.05Å; Q120-Y504 VanDerWaalsContact NE2-CE2 3.29Å
505	P	96.8	Very high	96	Very high	43 Å²	43	74.4 Å²	74.4	28%	0.279	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-66.2	157.9	-176.9	29.1	-34.5	0	0	0	111.4	Q120 P121 N122	Q120-P505 HydrophobicContact CB-CG 4.46Å; Q120-P505 WeakPolarHBondContact CG-O 3.44Å; Q120-P505 PolarHBondContact NE2-O 2.77Å; P121-P505 HydrophobicContact CG-CB 4.07Å; P121-P505 HydrophobicContact CG-CG 4.09Å; N122-P505 HydrophobicContact CB-CG 3.86Å
506	A	95.2	Very high	95.7	Very high	86 Å²	86	76.4 Å²	76.4	71%	0.711	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-64	155.8	169.9	0	0	0	0	0	110.7	P121	P121-A506 WeakPolarHBondContact CD-O 3.43Å
507	E	93.7	Very high	95.5	Very high	91 Å²	91	76 Å²	76	43%	0.425	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-64.2	145.9	175.5	-61	166.4	164.9	0	0	110.7	R119 Q120	R119-E507 HydrophobicContact CB-CB 3.95Å; R119-E507 HydrophobicContact CB-CG 4.19Å; R119-E507 VanDerWaalsContact CZ-CD 3.42Å; R119-E507 IonicContact CZ-OE1 2.74Å; R119-E507 IonicContact CZ-OE2 3.79Å; R119-E507 IonicContact NH1-OE2 3.03Å; R119-E507 PolarHBondContact NH1-OE2 2.74Å; R119-E507 IonicContact NH2-OE1 2.79Å; R119-E507 PolarHBondContact NH2-OE1 3.01Å; R119-E507 IonicContact NH2-OE2 2.74Å; R119-E507 PolarHBondContact NH2-OE2 2.82Å; R119-E507 CarbonylContact O-C 3.58Å; R119-E507 WeakPolarHBondContact O-CA 3.22Å; Q120-E507 HydrophobicContact CG-CG 4.34Å
508	N	94.4	Very high	95.4	Very high	46 Å²	46	68 Å²	68	25%	0.246	39%	0.388	C	S	.	.			trans	-109.6	122.9	177.8	-168.9	-41.6	0	0	0	109.9	R119 R510 A511	R119-N508 PolarHBondContact O-N 2.8Å; N508-R510 PolarHBondContact O-N 3.13Å; N508-R510 VanDerWaalsContact O-N 3.13Å; N508-R510 WeakPolarHBondContact OD1-CB 3.32Å; N508-R510 PolarHBondContact OD1-N 3.48Å; N508-A511 VanDerWaalsContact O-CB 3.23Å; N508-A511 WeakPolarHBondContact O-CB 3.16Å; N508-A511 PolarHBondContact O-N 2.8Å
509	P	92.6	Very high	95.5	Very high	99 Å²	99	64.5 Å²	64.5	64%	0.643	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-57.1	-25.9	178.4	-27.1	35.5	0	0	0	114.9	A511 H512 F515	P509-A511 PolarHBondContact O-N 3.33Å; P509-H512 VanDerWaalsContact O-CB 3.31Å; P509-H512 WeakPolarHBondContact O-CB 3.05Å; P509-H512 PolarHBondContact O-N 3.05Å; P509-H512 VanDerWaalsContact O-N 3.08Å; P509-F515 WeakPolarHBondContact O-CE2 3.43Å
510	R	93.2	Very high	95.5	Very high	105 Å²	105	63.1 Å²	63.1	40%	0.396	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-64.3	-19.1	176.7	-69.8	178.6	65	154.3	-1.9	113.7	N508 H512 W523 E528	N508-R510 PolarHBondContact O-N 3.13Å; N508-R510 VanDerWaalsContact O-N 3.13Å; N508-R510 WeakPolarHBondContact OD1-CB 3.32Å; N508-R510 PolarHBondContact OD1-N 3.48Å; R510-H512 PolarHBondContact O-N 3.15Å; R510-W523 HydrophobicContact CB-CG 4.4Å; R510-E528 IonicContact CZ-OE1 3.15Å; R510-E528 VanDerWaalsContact CZ-OE1 3.25Å; R510-E528 IonicContact CZ-OE2 3.81Å; R510-E528 VanDerWaalsContact CZ-OE2 3.26Å; R510-E528 IonicContact NH1-OE1 3.58Å; R510-E528 PolarHBondContact NH1-OE1 2.96Å; R510-E528 IonicContact NH1-OE2 2.83Å; R510-E528 PolarHBondContact NH1-OE2 3Å; R510-E528 IonicContact NH2-OE1 3.48Å; R510-E528 PolarHBondContact NH2-OE1 2.9Å; R510-E528 IonicContact NH2-OE2 3.78Å; R510-E528 PolarHBondContact NH2-OE2 3.42Å
511	A	94.8	Very high	95.5	Very high	4 Å²	4	59.9 Å²	59.9	3%	0.033	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-71.1	-5.2	174.5	0	0	0	0	0	113.3	R119 N508 P509 W520 W523	R119-A511 HydrophobicContact CB-CB 3.86Å; R119-A511 HydrophobicContact CG-CB 3.81Å; N508-A511 VanDerWaalsContact O-CB 3.23Å; N508-A511 WeakPolarHBondContact O-CB 3.16Å; N508-A511 PolarHBondContact O-N 2.8Å; P509-A511 PolarHBondContact O-N 3.33Å; A511-W520 WeakPolarHBondContact O-CZ3 3.29Å; A511-W523 HydrophobicContact CB-CD2 3.58Å; A511-W523 VanDerWaalsContact CB-CE2 3.48Å; A511-W523 HydrophobicContact CB-CE3 3.6Å; A511-W523 HydrophobicContact CB-CG 4.35Å; A511-W523 HydrophobicContact CB-CH2 3.63Å; A511-W523 HydrophobicContact CB-CZ2 3.5Å; A511-W523 VanDerWaalsContact CB-CZ2 3.5Å; A511-W523 HydrophobicContact CB-CZ3 3.65Å
512	H	96	Very high	95.5	Very high	39 Å²	39	56.4 Å²	56.4	18%	0.181	32%	0.318	C	S	.	.			trans	-59.6	128.6	179.2	-163.2	-77.1	0	0	0	110.8	P509 R510 D514 F515	P509-H512 VanDerWaalsContact O-CB 3.31Å; P509-H512 WeakPolarHBondContact O-CB 3.05Å; P509-H512 PolarHBondContact O-N 3.05Å; P509-H512 VanDerWaalsContact O-N 3.08Å; R510-H512 PolarHBondContact O-N 3.15Å; H512-D514 IonicContact CE1-OD1 2.67Å; H512-D514 IonicContact CE1-OD2 3.09Å; H512-D514 PolarHBondContact CE1-OD2 3.4Å; H512-D514 WeakPolarHBondContact ND1-CB 3.25Å; H512-D514 VanDerWaalsContact ND1-CG 3.32Å; H512-D514 PolarHBondContact ND1-N 3.03Å; H512-D514 IonicContact ND1-OD1 3.06Å; H512-D514 IonicContact ND1-OD2 3.92Å; H512-D514 PolarHBondContact ND1-OD2 3.24Å; H512-D514 PolarHBondContact O-N 2.88Å; H512-D514 VanDerWaalsContact O-N 3.11Å; H512-F515 HydrophobicContact CB-CD2 3.63Å; H512-F515 HydrophobicContact CB-CE2 3.69Å; H512-F515 WeakPolarHBondContact O-CB 3.3Å; H512-F515 PolarHBondContact O-N 2.88Å
513	P	96.4	Very high	95.3	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-56.3	-30	-176.4	-30.6	38.1	0	0	0	115	F515 N516 G517 G518 W520	P513-F515 PolarHBondContact O-N 3.47Å; P513-F515 VanDerWaalsContact O-N 3.15Å; P513-N516 CarbonylContact O-C 3.46Å; P513-N516 VanDerWaalsContact O-C 3.23Å; P513-N516 WeakPolarHBondContact O-CA 3.18Å; P513-N516 PolarHBondContact O-N 2.92Å; P513-G517 PolarHBondContact O-N 2.64Å; P513-G518 WeakPolarHBondContact O-CA 2.85Å; P513-G518 PolarHBondContact O-N 3.24Å; P513-W520 HydrophobicContact CG-CD2 3.64Å; P513-W520 VanDerWaalsContact CG-CE2 3.47Å; P513-W520 HydrophobicContact CG-CE3 3.87Å; P513-W520 HydrophobicContact CG-CG 4.27Å; P513-W520 HydrophobicContact CG-CH2 3.84Å; P513-W520 HydrophobicContact CG-CZ2 3.59Å; P513-W520 HydrophobicContact CG-CZ3 3.96Å
514	D	95.1	Very high	94.9	Very high	117 Å²	117	54 Å²	54	63%	0.626	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-55.7	-28.6	174.1	-65.5	-2.2	0	0	0	113.6	H512 N516	H512-D514 IonicContact CE1-OD1 2.67Å; H512-D514 IonicContact CE1-OD2 3.09Å; H512-D514 PolarHBondContact CE1-OD2 3.4Å; H512-D514 WeakPolarHBondContact ND1-CB 3.25Å; H512-D514 VanDerWaalsContact ND1-CG 3.32Å; H512-D514 PolarHBondContact ND1-N 3.03Å; H512-D514 IonicContact ND1-OD1 3.06Å; H512-D514 IonicContact ND1-OD2 3.92Å; H512-D514 PolarHBondContact ND1-OD2 3.24Å; H512-D514 PolarHBondContact O-N 2.88Å; H512-D514 VanDerWaalsContact O-N 3.11Å; D514-N516 PolarHBondContact O-N 2.9Å
515	F	94	Very high	93.8	Very high	152 Å²	152	52.2 Å²	52.2	67%	0.667	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-80.4	-5	175.3	-57	-52.2	0	0	0	113.4	P509 H512 P513	P509-F515 WeakPolarHBondContact O-CE2 3.43Å; H512-F515 HydrophobicContact CB-CD2 3.63Å; H512-F515 HydrophobicContact CB-CE2 3.69Å; H512-F515 WeakPolarHBondContact O-CB 3.3Å; H512-F515 PolarHBondContact O-N 2.88Å; P513-F515 PolarHBondContact O-N 3.47Å; P513-F515 VanDerWaalsContact O-N 3.15Å
516	N	91.9	Very high	92.1	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-132.8	43.7	-178.9	-171.8	48.7	0	0	0	111.3	P513 D514 G518 A519 G521	P513-N516 CarbonylContact O-C 3.46Å; P513-N516 VanDerWaalsContact O-C 3.23Å; P513-N516 WeakPolarHBondContact O-CA 3.18Å; P513-N516 PolarHBondContact O-N 2.92Å; D514-N516 PolarHBondContact O-N 2.9Å; N516-G518 VanDerWaalsContact C-N 3.26Å; N516-G518 PolarHBondContact O-N 3.21Å; N516-A519 WeakPolarHBondContact CB-O 3.38Å; N516-A519 PolarHBondContact ND2-O 2.98Å; N516-A519 PolarHBondContact O-N 2.72Å; N516-A519 VanDerWaalsContact O-N 3.15Å; N516-G521 PolarHBondContact ND2-N 3.15Å
517	G	93.5	Very high	90.1	Very high	67 Å²	67	58.8 Å²	58.8	69%	0.691	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	25.8	173.6	0	0	0	0	0	114.6	P513	P513-G517 PolarHBondContact O-N 2.64Å
518	G	96.7	Very high	88.3	Confident	27 Å²	27	57.8 Å²	57.8	28%	0.278	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	10.9	-178.3	0	0	0	0	0	114.3	G190 F191 P513 N516	G190-G518 CarbonylContact C-O 3.56Å; G190-G518 VanDerWaalsContact CA-O 3.24Å; G190-G518 WeakPolarHBondContact CA-O 3.46Å; F191-G518 PolarHBondContact N-O 3.42Å; P513-G518 WeakPolarHBondContact O-CA 2.85Å; P513-G518 PolarHBondContact O-N 3.24Å; N516-G518 VanDerWaalsContact C-N 3.26Å; N516-G518 PolarHBondContact O-N 3.21Å
519	A	97.9	Very high	86.3	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.008	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-120.1	148.9	179.6	0	0	0	0	0	112.3	F191 V199 W201 N516	F191-A519 HydrophobicContact CB-CB 4.49Å; F191-A519 CarbonylContact O-C 3.42Å; F191-A519 WeakPolarHBondContact O-CA 3.44Å; F191-A519 WeakPolarHBondContact O-CB 3.42Å; V199-A519 HydrophobicContact CB-CB 4.5Å; V199-A519 HydrophobicContact CG1-CB 3.92Å; V199-A519 HydrophobicContact CG2-CB 3.75Å; W201-A519 HydrophobicContact CH2-CB 4.04Å; W201-A519 HydrophobicContact CZ2-CB 3.89Å; N516-A519 WeakPolarHBondContact CB-O 3.38Å; N516-A519 PolarHBondContact ND2-O 2.98Å; N516-A519 PolarHBondContact O-N 2.72Å; N516-A519 VanDerWaalsContact O-N 3.15Å
520	W	98.1	Very high	84.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.335	C	S	.	.			trans	-69.4	138.1	167.2	-66.4	102.5	0	0	0	109.6	P118 R119 F152 T172 N182 D184 V188 G190 F191 D192 H194 A511 P513	P118-W520 HydrophobicContact CB-CD2 4.13Å; P118-W520 HydrophobicContact CB-CE3 3.76Å; P118-W520 HydrophobicContact CB-CH2 3.69Å; P118-W520 HydrophobicContact CB-CZ2 4.07Å; P118-W520 HydrophobicContact CB-CZ3 3.52Å; R119-W520 HydrophobicContact CG-CH2 3.82Å; R119-W520 HydrophobicContact CG-CZ3 3.79Å; F152-W520 HydrophobicContact CE2-CB 4.09Å; F152-W520 HydrophobicContact CE2-CE3 4.33Å; F152-W520 HydrophobicContact CZ-CB 4.27Å; F152-W520 HydrophobicContact CZ-CE3 4.21Å; T172-W520 HydrophobicContact CG2-CB 4.07Å; T172-W520 HydrophobicContact CG2-CD2 4.25Å; T172-W520 HydrophobicContact CG2-CG 3.86Å; N182-W520 PolarHBondContact O-NE1 3.46Å; D184-W520 HydrophobicContact CB-CH2 3.99Å; D184-W520 HydrophobicContact CB-CZ2 4.03Å; V188-W520 HydrophobicContact CG1-CH2 3.72Å; V188-W520 HydrophobicContact CG1-CZ2 4.09Å; G190-W520 VanDerWaalsContact O-CD1 3.27Å; G190-W520 PolarHBondContact O-NE1 3.42Å; F191-W520 PolarHBondContact O-N 2.78Å; D192-W520 HydrophobicContact CB-CB 4.21Å; D192-W520 HydrophobicContact CB-CG 4.42Å; H194-W520 PolarHBondContact CE1-O 2.67Å; H194-W520 PolarHBondContact NE2-O 3.5Å; H194-W520 VanDerWaalsContact NE2-O 3.1Å; A511-W520 WeakPolarHBondContact O-CZ3 3.29Å; P513-W520 HydrophobicContact CG-CD2 3.64Å; P513-W520 VanDerWaalsContact CG-CE2 3.47Å; P513-W520 HydrophobicContact CG-CE3 3.87Å; P513-W520 HydrophobicContact CG-CG 4.27Å; P513-W520 HydrophobicContact CG-CH2 3.84Å; P513-W520 HydrophobicContact CG-CZ2 3.59Å; P513-W520 HydrophobicContact CG-CZ3 3.96Å
521	G	96.6	Very high	82.2	Confident	4 Å²	4	64.1 Å²	64.1	4%	0.041	35%	0.347	C	S	.	.			trans	177.2	177.9	-179.1	0	0	0	0	0	111.7	N516	N516-G521 PolarHBondContact ND2-N 3.15Å
522	P	96.4	Very high	80.3	Confident	38 Å²	38	70.8 Å²	70.8	25%	0.247	38%	0.377	C	S	.	.			trans	-60.1	138.6	179.5	-22.8	32.7	0	0	0	113.2	F152 K155 L158	F152-P522 VanDerWaalsContact O-CA 3.22Å; F152-P522 WeakPolarHBondContact O-CA 3.46Å; F152-P522 WeakPolarHBondContact O-CG 3.28Å; K155-P522 HydrophobicContact CG-CB 4.28Å; K155-P522 HydrophobicContact CG-CG 4.18Å; L158-P522 HydrophobicContact CD1-CG 3.98Å; L158-P522 HydrophobicContact CD2-CG 4.04Å; L158-P522 HydrophobicContact CG-CG 4.17Å
523	W	94.1	Very high	78.1	Confident	32 Å²	32	73.4 Å²	73.4	12%	0.121	39%	0.39	C	S	.	.			trans	-129.7	-12.9	-179.9	61.8	81.3	0	0	0	114.2	P118 F152 Y153 R510 A511	P118-W523 WeakPolarHBondContact O-CH2 3.45Å; P118-W523 WeakPolarHBondContact O-CZ3 3.48Å; F152-W523 AromaticContact CD2-CZ3 3.87Å; F152-W523 HydrophobicContact CD2-CZ3 3.87Å; F152-W523 HydrophobicContact CE2-CE3 4.46Å; F152-W523 HydrophobicContact CE2-CH2 4.26Å; F152-W523 AromaticContact CE2-CZ3 3.51Å; F152-W523 HydrophobicContact CE2-CZ3 3.51Å; F152-W523 HydrophobicContact CZ-CZ3 4.26Å; Y153-W523 VanDerWaalsContact CB-CH2 3.42Å; Y153-W523 HydrophobicContact CG-CZ2 4.39Å; Y153-W523 PolarHBondContact O-N 3.42Å; R510-W523 HydrophobicContact CB-CG 4.4Å; A511-W523 HydrophobicContact CB-CD2 3.58Å; A511-W523 VanDerWaalsContact CB-CE2 3.48Å; A511-W523 HydrophobicContact CB-CE3 3.6Å; A511-W523 HydrophobicContact CB-CG 4.35Å; A511-W523 HydrophobicContact CB-CH2 3.63Å; A511-W523 HydrophobicContact CB-CZ2 3.5Å; A511-W523 VanDerWaalsContact CB-CZ2 3.5Å; A511-W523 HydrophobicContact CB-CZ3 3.65Å
524	A	89.4	Confident	75.7	Confident	35 Å²	35	75.1 Å²	75.1	29%	0.289	41%	0.407	S	S	.	.			trans	-87.9	133.7	175.9	0	0	0	0	0	110.6	Y153 R154	Y153-A524 HydrophobicContact CD2-CB 3.88Å; Y153-A524 HydrophobicContact CE2-CB 4.29Å; Y153-A524 PolarHBondContact O-N 3.32Å; Y153-A524 VanDerWaalsContact O-N 3.08Å; R154-A524 HydrophobicContact CG-CB 3.88Å
525	S	73.3	Confident	73.5	Confident	46 Å²	46	78.5 Å²	78.5	32%	0.322	41%	0.411	S	S	.	.			trans	-98.3	158.1	173.9	57.5	0	0	0	0	111.6	E527 E528	S525-E527 VanDerWaalsContact C-N 3.32Å; S525-E527 PolarHBondContact O-N 3.24Å; S525-E528 WeakPolarHBondContact OG-CG 3.48Å
526	D	60.2	Low	71.3	Confident	98 Å²	98	73.4 Å²	73.4	52%	0.524	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.8	178.9	-61.7	-39.4	0	0	0	113	R154 E528 E529	R154-D526 IonicContact NH2-OD1 2.97Å; R154-D526 PolarHBondContact NH2-OD1 2.94Å; D526-E528 VanDerWaalsContact C-N 3.29Å; D526-E528 PolarHBondContact O-N 3.34Å; D526-E529 PolarHBondContact O-N 3.29Å
527	E	54.3	Low	69.3	Low	168 Å²	168	78.4 Å²	78.4	79%	0.785	41%	0.411	S	S	*	.	H	α-helix	trans	-68.8	-24.7	-179.2	-65.6	-179.8	172.3	0	0	113.4	S525	S525-E527 VanDerWaalsContact C-N 3.32Å; S525-E527 PolarHBondContact O-N 3.24Å
528	E	56.2	Low	67.2	Low	71 Å²	71	78.5 Å²	78.5	33%	0.332	40%	0.401	S	S	.	.	H	α-helix	trans	-84.6	-11.7	-177.5	-68.1	175.2	-168	0	0	112.7	R510 S525 D526 E531 E532	R510-E528 IonicContact CZ-OE1 3.15Å; R510-E528 VanDerWaalsContact CZ-OE1 3.25Å; R510-E528 IonicContact CZ-OE2 3.81Å; R510-E528 VanDerWaalsContact CZ-OE2 3.26Å; R510-E528 IonicContact NH1-OE1 3.58Å; R510-E528 PolarHBondContact NH1-OE1 2.96Å; R510-E528 IonicContact NH1-OE2 2.83Å; R510-E528 PolarHBondContact NH1-OE2 3Å; R510-E528 IonicContact NH2-OE1 3.48Å; R510-E528 PolarHBondContact NH2-OE1 2.9Å; R510-E528 IonicContact NH2-OE2 3.78Å; R510-E528 PolarHBondContact NH2-OE2 3.42Å; S525-E528 WeakPolarHBondContact OG-CG 3.48Å; D526-E528 VanDerWaalsContact C-N 3.29Å; D526-E528 PolarHBondContact O-N 3.34Å; E528-E531 PolarHBondContact O-N 3.08Å; E528-E532 PolarHBondContact O-N 3.41Å
529	E	52.1	Low	65	Low	81 Å²	81	83.4 Å²	83.4	38%	0.379	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-41.3	171.1	-76.1	-164.6	117	0	0	112	R154 D526 E531 E533	R154-E529 IonicContact CZ-OE1 2.64Å; R154-E529 IonicContact CZ-OE2 2.68Å; R154-E529 IonicContact NH1-OE1 3.66Å; R154-E529 PolarHBondContact NH1-OE1 3.33Å; R154-E529 IonicContact NH1-OE2 2.62Å; R154-E529 IonicContact NH2-OE1 3.36Å; R154-E529 PolarHBondContact NH2-OE1 3.39Å; R154-E529 IonicContact NH2-OE2 2.79Å; R154-E529 PolarHBondContact NH2-OE2 2.79Å; D526-E529 PolarHBondContact O-N 3.29Å; E529-E531 VanDerWaalsContact C-N 3.25Å; E529-E531 PolarHBondContact O-N 3.27Å; E529-E533 WeakPolarHBondContact O-CB 3.3Å; E529-E533 WeakPolarHBondContact O-CG 3.42Å; E529-E533 PolarHBondContact O-N 3.44Å
530	E	47.5	Very low	62.5	Low	164 Å²	164	90 Å²	90	77%	0.766	44%	0.444	S	S	*	.	H	α-helix	trans	-65.5	-33.7	-179.7	-67.3	-165.4	161.9	0	0	111.4	G534	E530-G534 VanDerWaalsContact O-CA 3.29Å; E530-G534 WeakPolarHBondContact O-CA 3.47Å; E530-G534 PolarHBondContact O-N 3.27Å
531	E	50.7	Low	60.2	Low	137 Å²	137	99.5 Å²	99.5	64%	0.64	48%	0.48	S	S	*	.	H	α-helix	trans	-77.5	-43.6	178.4	-71.6	-160.6	156.1	0	0	113.1	E528 E529 R535	E528-E531 PolarHBondContact O-N 3.08Å; E529-E531 VanDerWaalsContact C-N 3.25Å; E529-E531 PolarHBondContact O-N 3.27Å; E531-R535 VanDerWaalsContact O-CB 3.3Å; E531-R535 WeakPolarHBondContact O-CB 3.41Å; E531-R535 WeakPolarHBondContact O-CG 3.33Å; E531-R535 PolarHBondContact O-N 3.21Å
532	E	54.9	Low	57.7	Low	144 Å²	144	100.9 Å²	100.9	67%	0.673	49%	0.494	S	S	*	.	H	α-helix	trans	-73.7	-42.2	177.3	-86.4	-159.2	153.7	0	0	112.6	E528 G534 R535 A536	E528-E532 PolarHBondContact O-N 3.41Å; E532-G534 VanDerWaalsContact C-N 3.31Å; E532-R535 PolarHBondContact O-N 2.86Å; E532-A536 WeakPolarHBondContact O-CB 3.3Å; E532-A536 PolarHBondContact O-N 3.35Å
533	E	51	Low	55.3	Low	95 Å²	95	106.8 Å²	106.8	44%	0.444	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-39.5	170.7	-74	-154.8	162	0	0	111	E529 R535 A536 R537	E529-E533 WeakPolarHBondContact O-CB 3.3Å; E529-E533 WeakPolarHBondContact O-CG 3.42Å; E529-E533 PolarHBondContact O-N 3.44Å; E533-R535 VanDerWaalsContact C-N 3.35Å; E533-A536 PolarHBondContact O-N 2.66Å; E533-R537 WeakPolarHBondContact O-CB 3.37Å; E533-R537 WeakPolarHBondContact O-CG 3.48Å; E533-R537 PolarHBondContact O-N 2.72Å; E533-R537 IonicContact OE2-CZ 3.4Å; E533-R537 IonicContact OE2-NE 3.72Å; E533-R537 IonicContact OE2-NH2 2.74Å; E533-R537 PolarHBondContact OE2-NH2 3.3Å
534	G	44.9	Very low	52.9	Low	37 Å²	37	115.5 Å²	115.5	38%	0.381	54%	0.544	S	S	.	.	H	α-helix	trans	-57.7	-46.6	172.6	0	0	0	0	0	111.7	E530 E532 S538	E530-G534 VanDerWaalsContact O-CA 3.29Å; E530-G534 WeakPolarHBondContact O-CA 3.47Å; E530-G534 PolarHBondContact O-N 3.27Å; E532-G534 VanDerWaalsContact C-N 3.31Å; G534-S538 VanDerWaalsContact O-CB 3.26Å; G534-S538 WeakPolarHBondContact O-CB 3.33Å; G534-S538 PolarHBondContact O-N 2.72Å
535	R	49.3	Very low	50.7	Low	188 Å²	188	122.2 Å²	122.2	71%	0.709	57%	0.567	S	S	*	*	H	α-helix	trans	-65.1	-46.1	175.5	-88.6	178.9	170.1	175.3	1.1	112	E531 E532 E533 S538 F539	E531-R535 VanDerWaalsContact O-CB 3.3Å; E531-R535 WeakPolarHBondContact O-CB 3.41Å; E531-R535 WeakPolarHBondContact O-CG 3.33Å; E531-R535 PolarHBondContact O-N 3.21Å; E532-R535 PolarHBondContact O-N 2.86Å; E533-R535 VanDerWaalsContact C-N 3.35Å; R535-S538 WeakPolarHBondContact O-CB 3.11Å; R535-S538 PolarHBondContact O-N 3.3Å; R535-S538 PolarHBondContact O-OG 3.45Å; R535-F539 WeakPolarHBondContact O-CB 3.39Å; R535-F539 PolarHBondContact O-N 2.76Å
536	A	47.4	Very low	49.2	Very low	45 Å²	45	128.6 Å²	128.6	37%	0.372	59%	0.589	S	S	.	*	H	α-helix	trans	-62	-47.9	177.7	0	0	0	0	0	111.2	E532 E533 S538 F539 F540	E532-A536 WeakPolarHBondContact O-CB 3.3Å; E532-A536 PolarHBondContact O-N 3.35Å; E533-A536 PolarHBondContact O-N 2.66Å; A536-S538 VanDerWaalsContact C-N 3.31Å; A536-S538 PolarHBondContact O-N 2.84Å; A536-F539 WeakPolarHBondContact O-CB 3.45Å; A536-F539 PolarHBondContact O-N 3.11Å; A536-F539 VanDerWaalsContact O-N 3.11Å; A536-F540 WeakPolarHBondContact O-CD2 2.93Å; A536-F540 PolarHBondContact O-N 2.79Å
537	R	51.1	Low	48.2	Very low	168 Å²	168	132.3 Å²	132.3	63%	0.634	60%	0.6	S	S	*	*	H	α-helix	trans	-59.5	-39.3	173.9	-71.4	172.7	-172.6	-174.1	6.5	111.5	E533 R541	E533-R537 WeakPolarHBondContact O-CB 3.37Å; E533-R537 WeakPolarHBondContact O-CG 3.48Å; E533-R537 PolarHBondContact O-N 2.72Å; E533-R537 IonicContact OE2-CZ 3.4Å; E533-R537 IonicContact OE2-NE 3.72Å; E533-R537 IonicContact OE2-NH2 2.74Å; E533-R537 PolarHBondContact OE2-NH2 3.3Å; R537-R541 WeakPolarHBondContact O-CB 2.99Å; R537-R541 PolarHBondContact O-N 3.39Å
538	S	49.3	Very low	47.8	Very low	69 Å²	69	127.6 Å²	127.6	48%	0.483	59%	0.585	S	S	.	*	H	α-helix	trans	-65.8	-38.2	174.6	87.7	0	0	0	0	112.3	G534 R535 A536 R541 G542	G534-S538 VanDerWaalsContact O-CB 3.26Å; G534-S538 WeakPolarHBondContact O-CB 3.33Å; G534-S538 PolarHBondContact O-N 2.72Å; R535-S538 WeakPolarHBondContact O-CB 3.11Å; R535-S538 PolarHBondContact O-N 3.3Å; R535-S538 PolarHBondContact O-OG 3.45Å; A536-S538 VanDerWaalsContact C-N 3.31Å; A536-S538 PolarHBondContact O-N 2.84Å; S538-R541 PolarHBondContact O-N 2.82Å; S538-G542 PolarHBondContact O-N 3.16Å
539	F	49.2	Very low	47	Very low	130 Å²	130	132.5 Å²	132.5	57%	0.57	61%	0.605	S	S	*	*	H	α-helix	trans	-68.9	-41.2	179.5	-160.1	-96.7	0	0	0	111.3	R535 A536 G542 R543	R535-F539 WeakPolarHBondContact O-CB 3.39Å; R535-F539 PolarHBondContact O-N 2.76Å; A536-F539 WeakPolarHBondContact O-CB 3.45Å; A536-F539 PolarHBondContact O-N 3.11Å; A536-F539 VanDerWaalsContact O-N 3.11Å; F539-G542 PolarHBondContact O-N 3.35Å; F539-R543 PolarHBondContact O-N 2.94Å
540	F	46	Very low	46.7	Very low	140 Å²	140	134.9 Å²	134.9	61%	0.614	62%	0.619	S	S	*	*	H	α-helix	trans	-68.4	-38	172.9	-76.7	-72.3	0	0	0	112.7	A536 R543 R544	A536-F540 WeakPolarHBondContact O-CD2 2.93Å; A536-F540 PolarHBondContact O-N 2.79Å; F540-R543 PolarHBondContact O-N 2.64Å; F540-R544 PolarHBondContact O-N 2.51Å
541	R	50.8	Low	46.5	Very low	200 Å²	200	130.7 Å²	130.7	76%	0.755	61%	0.607	S	S	*	*	H	α-helix	trans	-63.8	-38.5	169.5	-91.7	179.9	167.6	178.2	-2.2	112.2	R537 S538 R544 K545	R537-R541 WeakPolarHBondContact O-CB 2.99Å; R537-R541 PolarHBondContact O-N 3.39Å; S538-R541 PolarHBondContact O-N 2.82Å; R541-R544 PolarHBondContact O-N 3.04Å; R541-K545 PolarHBondContact O-N 3.44Å
542	G	44.3	Very low	45.9	Very low	32 Å²	32	131.8 Å²	131.8	33%	0.33	61%	0.61	S	S	.	*	H	α-helix	trans	-64.7	-39.2	176.1	0	0	0	0	0	113.1	S538 F539 K545 K546	S538-G542 PolarHBondContact O-N 3.16Å; F539-G542 PolarHBondContact O-N 3.35Å; G542-K545 PolarHBondContact O-N 3.18Å; G542-K546 PolarHBondContact O-N 2.83Å
543	R	45.6	Very low	45.3	Very low	163 Å²	163	130.4 Å²	130.4	62%	0.615	61%	0.606	S	S	*	*	H	α-helix	trans	-69.3	-37.1	172.6	-92	-178.9	164.8	179.1	-3	113	F539 F540 K545 K546 K547	F539-R543 PolarHBondContact O-N 2.94Å; F540-R543 PolarHBondContact O-N 2.64Å; R543-K545 VanDerWaalsContact C-N 3.34Å; R543-K546 PolarHBondContact O-N 3.08Å; R543-K547 PolarHBondContact O-N 2.97Å
544	R	43.9	Very low	44.9	Very low	215 Å²	215	135.7 Å²	135.7	81%	0.811	62%	0.622	S	S	*	*	H	α-helix	trans	-62.4	-38	170.5	-94.9	-176.8	168.5	177.5	-2.4	112.1	F540 R541	F540-R544 PolarHBondContact O-N 2.51Å; R541-R544 PolarHBondContact O-N 3.04Å
545	K	43.2	Very low	44.9	Very low	175 Å²	175	137.4 Å²	137.4	76%	0.761	63%	0.629	S	S	*	*	H	α-helix	trans	-71.6	-36.1	174.1	-78.8	-176.4	175.6	178.8	0	113.3	R541 G542 R543 C548	R541-K545 PolarHBondContact O-N 3.44Å; G542-K545 PolarHBondContact O-N 3.18Å; R543-K545 VanDerWaalsContact C-N 3.34Å; K545-C548 PolarHBondContact O-N 2.69Å
546	K	41.6	Very low	44.7	Very low	181 Å²	181	135.1 Å²	135.1	79%	0.787	62%	0.624	S	S	*	*	H	α-helix	trans	-73.7	-25.6	177.2	-78.3	-174.5	177	178.9	0	114.1	G542 R543 C548	G542-K546 PolarHBondContact O-N 2.83Å; R543-K546 PolarHBondContact O-N 3.08Å; K546-C548 VanDerWaalsContact C-N 3.26Å; K546-C548 PolarHBondContact O-N 3.26Å
547	K	39.5	Very low	44.6	Very low	176 Å²	176	139.5 Å²	139.5	77%	0.765	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-8.7	171.9	-83.9	-172.7	174.7	-177.6	0	114.4	R543	R543-K547 PolarHBondContact O-N 2.97Å
548	C	44.6	Very low	44.1	Very low	68 Å²	68	141.7 Å²	141.7	46%	0.459	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.8	30.4	-176.9	-151.1	0	0	0	0	114.3	K545 K546	K545-C548 PolarHBondContact O-N 2.69Å; K546-C548 VanDerWaalsContact C-N 3.26Å; K546-C548 PolarHBondContact O-N 3.26Å
549	K	40.2	Very low	43.9	Very low	174 Å²	174	145.9 Å²	145.9	76%	0.757	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-27.4	163.4	-77.4	-169.7	176.4	-175.2	0	112.9
550	I	44.8	Very low	43.5	Very low	132 Å²	132	144.4 Å²	144.4	68%	0.677	65%	0.65	S	S	*	*	H	α-helix	trans	-81.1	-26.6	176	-65	170.8	0	0	0	111.8	K552 L553 R554	I550-K552 VanDerWaalsContact C-N 3.26Å; I550-K552 PolarHBondContact O-N 3.41Å; I550-L553 PolarHBondContact O-N 3.08Å; I550-R554 PolarHBondContact O-N 3.02Å
551	C	44	Very low	43.1	Very low	76 Å²	76	144 Å²	144	51%	0.514	66%	0.655	S	S	.	*	H	α-helix	trans	-66	-26.4	174.5	-60.7	0	0	0	0	113.1	S555	C551-S555 PolarHBondContact O-N 3.35Å
552	K	39.2	Very low	42.7	Very low	160 Å²	160	139.7 Å²	139.7	70%	0.696	65%	0.651	S	S	*	*	H	α-helix	trans	-76.1	-28	176.5	-73.8	-170.1	177.5	-174.8	0	113.3	I550 F556	I550-K552 VanDerWaalsContact C-N 3.26Å; I550-K552 PolarHBondContact O-N 3.41Å; K552-F556 PolarHBondContact O-N 3.33Å
553	L	42.4	Very low	42.5	Very low	115 Å²	115	149 Å²	149	60%	0.602	68%	0.676	S	S	*	*	H	α-helix	trans	-74.2	-40.7	174	-111.2	87.3	0	0	0	112.1	I550 S555 F556 F557	I550-L553 PolarHBondContact O-N 3.08Å; L553-S555 VanDerWaalsContact C-N 3.31Å; L553-S555 PolarHBondContact O-N 3.27Å; L553-F556 PolarHBondContact O-N 3.18Å; L553-F556 VanDerWaalsContact O-N 3.14Å; L553-F557 WeakPolarHBondContact O-CD2 3.32Å; L553-F557 PolarHBondContact O-N 3.18Å
554	R	42.2	Very low	42.3	Very low	205 Å²	205	148.1 Å²	148.1	77%	0.774	68%	0.683	S	S	*	*	H	α-helix	trans	-66.5	-31.6	176.5	-81.2	-173.8	172.7	-172.6	-1.9	112.9	I550 F556 R558	I550-R554 PolarHBondContact O-N 3.02Å; R554-F556 VanDerWaalsContact C-N 3.34Å; R554-R558 PolarHBondContact O-N 3.49Å
555	S	43.9	Very low	42.3	Very low	74 Å²	74	146.5 Å²	146.5	52%	0.517	69%	0.686	S	S	.	*	H	α-helix	trans	-71.8	-25.3	172.5	177.5	0	0	0	0	113.5	C551 L553	C551-S555 PolarHBondContact O-N 3.35Å; L553-S555 VanDerWaalsContact C-N 3.31Å; L553-S555 PolarHBondContact O-N 3.27Å
556	F	45.1	Very low	42.4	Very low	139 Å²	139	143.2 Å²	143.2	61%	0.61	69%	0.685	S	S	*	*	H	α-helix	trans	-78.6	-42.8	179.2	-165.2	-99.8	0	0	0	111.2	K552 L553 R554 R558 K559 L560	K552-F556 PolarHBondContact O-N 3.33Å; L553-F556 PolarHBondContact O-N 3.18Å; L553-F556 VanDerWaalsContact O-N 3.14Å; R554-F556 VanDerWaalsContact C-N 3.34Å; F556-R558 PolarHBondContact O-N 3.03Å; F556-K559 PolarHBondContact O-N 2.9Å; F556-L560 HydrophobicContact CE1-CD1 4.34Å; F556-L560 PolarHBondContact O-N 2.93Å
557	F	44.8	Very low	42.4	Very low	137 Å²	137	143.3 Å²	143.3	60%	0.601	69%	0.689	S	S	*	*	H	α-helix	trans	-72.7	-25.7	177.1	-79.6	-79.5	0	0	0	114.3	L553 K559 L560	L553-F557 WeakPolarHBondContact O-CD2 3.32Å; L553-F557 PolarHBondContact O-N 3.18Å; F557-K559 VanDerWaalsContact C-N 3.31Å; F557-K559 PolarHBondContact O-N 2.81Å; F557-L560 PolarHBondContact O-N 3.39Å
558	R	42.3	Very low	42.3	Very low	214 Å²	214	146.8 Å²	146.8	81%	0.808	70%	0.697	S	S	*	*	H	α-helix	trans	-72.4	-23	173.2	-125.5	177.4	175.4	-161.2	-2.3	113.5	R554 F556 T562	R554-R558 PolarHBondContact O-N 3.49Å; F556-R558 PolarHBondContact O-N 3.03Å; R558-T562 PolarHBondContact O-OG1 2.8Å
559	K	44.6	Very low	42.2	Very low	158 Å²	158	155 Å²	155	69%	0.687	73%	0.734	S	S	*	*	H	α-helix	trans	-87	-15.1	175.3	-88.3	-175	174.6	-176.8	0	114	F556 F557	F556-K559 PolarHBondContact O-N 2.9Å; F557-K559 VanDerWaalsContact C-N 3.31Å; F557-K559 PolarHBondContact O-N 2.81Å
560	L	39.6	Very low	42.3	Very low	98 Å²	98	154.1 Å²	154.1	51%	0.513	73%	0.733	S	S	.	*	H	α-helix	trans	-82.4	-35.3	171.9	-115.6	90.2	0	0	0	112.5	F556 F557 T562 R563	F556-L560 HydrophobicContact CE1-CD1 4.34Å; F556-L560 PolarHBondContact O-N 2.93Å; F557-L560 PolarHBondContact O-N 3.39Å; L560-T562 VanDerWaalsContact C-N 3.31Å; L560-T562 PolarHBondContact O-N 2.81Å; L560-R563 PolarHBondContact O-N 3.13Å
561	N	38.7	Very low	42.1	Very low	133 Å²	133	155.3 Å²	155.3	71%	0.711	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-11.9	179.7	-92.6	2.8	0	0	0	115
562	T	41.3	Very low	42	Very low	109 Å²	109	159.7 Å²	159.7	67%	0.669	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-1.9	174.5	28.5	0	0	0	0	113.3	R558 L560	R558-T562 PolarHBondContact O-OG1 2.8Å; L560-T562 VanDerWaalsContact C-N 3.31Å; L560-T562 PolarHBondContact O-N 2.81Å
563	R	40.3	Very low	42.2	Very low	227 Å²	227	159.6 Å²	159.6	86%	0.857	75%	0.751	S	S	*	*	S	Bend	trans	-108.5	2.3	178.6	-127.9	178.8	-174.5	-174.9	0.4	114.8	L560	L560-R563 PolarHBondContact O-N 3.13Å
564	L	42.3	Very low	42.2	Very low	145 Å²	145	162.4 Å²	162.4	76%	0.759	76%	0.761	S	S	*	*	S	Bend	trans	-110.2	7.7	177.9	-97.3	157.4	0	0	0	114.3
565	M	43.6	Very low	42.2	Very low	181 Å²	181	159.6 Å²	159.6	89%	0.892	76%	0.76	S	S	*	*	S	Bend	trans	-122.6	29.9	178.9	-81.2	-99.2	158.4	0	0	112.8
566	S	44.8	Very low	42.1	Very low	106 Å²	106	165.7 Å²	165.7	74%	0.741	78%	0.777	S	S	*	*	S	Bend	trans	-138.2	24.6	175.2	-171.6	0	0	0	0	113.8
567	Q	42.8	Very low	41.8	Very low	183 Å²	183	167.8 Å²	167.8	86%	0.855	79%	0.79	S	S	*	*	S	Bend	trans	-145.3	87.2	163	-79.5	-167.8	-13.4	0	0	109.3
568	R	37.5	Very low	41.6	Very low	248 Å²	248	170.3 Å²	170.3	94%	0.936	81%	0.806	S	S	*	*			trans	-177.6	134.6	138.9	-99.3	165.2	-170.2	-162.2	2.1	108.7
569	I	41	Very low	41.5	Very low	242 Å²	242	166.4 Å²	166.4	100%	1.241	81%	0.806	S	S	*	*			trans	-44.8	0	160.3	-67.2	160.9	0	0	0	110.4

Retrieved 569 of 569 residues in 128.4 ms (Link to these results)

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