A0A093I092_STRCA Loading...

Sulfide:quinone oxidoreductase, mitochondrial

Catalyzes the oxidation of hydrogen sulfide with the help of a quinone, such as ubiquinone-10, giving rise to thiosulfate and ultimately to sulfane (molecular sulfur) atoms. Requires an additional electron acceptor; can use sulfite, sulfide or cyanide (in vitro). It is believed the in vivo electron acceptor is glutathione.

AlphaFold DB , UniProt , Accession A0A093I092, Species STRCA (Struthio camelus australis), Gene n/a, Length 450 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	30.5	Very low	232 Å²	232	124.3 Å²	124.3	100%	1.143	83%	0.83	S	S	*	*				0	107.9	0	-63.2	165.8	-175.3	0	0	105.8
2	S	30	Very low	30.3	Very low	122 Å²	122	120.8 Å²	120.8	85%	0.853	83%	0.833	S	S	*	*				83.4	135.4	88	-51.8	0	0	0	0	111.4
3	A	31.8	Very low	30.4	Very low	83 Å²	83	124.7 Å²	124.7	69%	0.686	84%	0.837	S	S	*	*			cis	-160.3	143.4	-14.4	0	0	0	0	0	108.1
4	I	33.5	Very low	30.7	Very low	177 Å²	177	133.4 Å²	133.4	91%	0.908	84%	0.844	S	S	*	*				58.5	127.2	101.9	-51	174.4	0	0	0	116.9
5	G	29.5	Very low	31.5	Very low	65 Å²	65	133.2 Å²	133.2	67%	0.67	84%	0.844	S	S	*	*			trans	137.1	124.9	169.9	0	0	0	0	0	113.1
6	V	30.6	Very low	31.4	Very low	148 Å²	148	128.9 Å²	128.9	90%	0.897	83%	0.833	S	S	*	*			cis	74.8	125.3	14.9	-172.6	0	0	0	0	112.7
7	A	30.1	Very low	31.3	Very low	93 Å²	93	129.1 Å²	129.1	77%	0.769	83%	0.831	S	S	*	*			cis	-153.6	-168.5	10	0	0	0	0	0	110.1
8	A	29.4	Very low	31.2	Very low	89 Å²	89	135.9 Å²	135.9	74%	0.736	84%	0.838	S	S	*	*			cis	-171	-165.7	-12.7	0	0	0	0	0	109.8
9	S	29	Very low	31.4	Very low	110 Å²	110	137 Å²	137	77%	0.769	84%	0.837	S	S	*	*			trans	75.1	129.6	170.6	72	0	0	0	0	117.3
10	C	27.8	Very low	31.5	Very low	125 Å²	125	138.7 Å²	138.7	85%	0.845	84%	0.84	S	S	*	*				82.6	138.1	50.8	-65.7	0	0	0	0	113.2
11	S	29.4	Very low	31.6	Very low	123 Å²	123	141.5 Å²	141.5	86%	0.86	84%	0.841	S	S	*	*			cis	-165	155.6	-1.4	46.9	0	0	0	0	111.2
12	G	28.8	Very low	31.7	Very low	83 Å²	83	136.7 Å²	136.7	86%	0.856	83%	0.827	S	S	*	*			trans	-167.5	102.1	173.4	0	0	0	0	0	114.8
13	L	31.6	Very low	31.9	Very low	171 Å²	171	134.5 Å²	134.5	90%	0.895	82%	0.823	S	S	*	*			trans	-108.7	135.7	175.9	-91.4	163.5	0	0	0	111.2
14	R	33.8	Very low	31.9	Very low	247 Å²	247	137.1 Å²	137.1	93%	0.932	83%	0.83	S	S	*	*			trans	-163.1	155.4	140.7	-106.9	162.1	-165.1	-126.7	0.5	111.2
15	P	43.7	Very low	31.9	Very low	130 Å²	130	137.8 Å²	137.8	84%	0.844	83%	0.83	S	S	*	*			trans	-102.2	164.2	-161.1	39	-35.6	0	0	0	114.7
16	G	28.9	Very low	32.1	Very low	64 Å²	64	144.2 Å²	144.2	66%	0.66	84%	0.839	S	S	*	*			trans	-167.2	99.1	173	0	0	0	0	0	114.3
17	V	30.6	Very low	32.1	Very low	133 Å²	133	145.3 Å²	145.3	81%	0.806	84%	0.836	S	S	*	*			trans	20.1	110.6	155.7	-171	0	0	0	0	118.3	L19	V17-L19 HydrophobicContact CG1-CG 4.46Å
18	W	29.4	Very low	32.3	Very low	251 Å²	251	152 Å²	152	95%	0.951	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-95.5	121.1	159	-87	79.3	0	0	0	111
19	L	34.2	Very low	32.4	Very low	157 Å²	157	152.7 Å²	152.7	82%	0.822	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-83.1	132.8	172.6	-83.8	162.8	0	0	0	111.2	V17	V17-L19 HydrophobicContact CG1-CG 4.46Å
20	L	34.1	Very low	32.8	Very low	171 Å²	171	154.6 Å²	154.6	90%	0.895	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-65.6	137.5	177.4	-72.1	159.4	0	0	0	111.7
21	K	34.4	Very low	32.9	Very low	198 Å²	198	151.4 Å²	151.4	86%	0.861	83%	0.83	S	S	*	*			trans	-128.8	135.1	154.7	-77.3	-171.7	174.3	-179.2	0	109
22	P	34.3	Very low	33.2	Very low	130 Å²	130	154 Å²	154	84%	0.844	83%	0.826	S	S	*	*			trans	-69.2	145.1	-175	28.4	-34.8	0	0	0	111.6
23	G	34.1	Very low	33.5	Very low	76 Å²	76	159 Å²	159	78%	0.784	83%	0.827	S	S	*	*			trans	-80	149.3	-175	0	0	0	0	0	113.9
24	V	33.2	Very low	33.7	Very low	138 Å²	138	156.6 Å²	156.6	84%	0.836	82%	0.819	S	S	*	*			trans	-103.7	104.1	162.1	178	0	0	0	0	107.7	K26	V24-K26 PolarHBondContact O-N 3Å
25	H	33.6	Very low	33.9	Very low	192 Å²	192	149.2 Å²	149.2	89%	0.889	81%	0.811	S	S	*	*			trans	-67.3	94.9	172	-84.8	-31	0	0	0	110	M27	H25-M27 PolarHBondContact O-N 2.73Å
26	K	32.8	Very low	33.6	Very low	200 Å²	200	147 Å²	147	87%	0.87	80%	0.804	S	S	*	*			trans	-75.2	78.6	172	-158.4	168.9	-168.4	174.1	0	109.3	V24 R28	V24-K26 PolarHBondContact O-N 3Å; K26-R28 PolarHBondContact O-N 2.91Å
27	M	31.8	Very low	34.3	Very low	170 Å²	170	155.5 Å²	155.5	84%	0.837	82%	0.816	S	S	*	*			trans	-55.2	108	-177.6	-169.2	171.9	81.6	0	0	110	H25 S29	H25-M27 PolarHBondContact O-N 2.73Å; M27-S29 PolarHBondContact O-N 3.3Å
28	R	33.7	Very low	35.1	Very low	233 Å²	233	154.5 Å²	154.5	88%	0.879	81%	0.814	S	S	*	*			trans	-67.5	100.5	169.7	-95.8	-176.3	165.6	-180	-3.9	107.6	K26 L30	K26-R28 PolarHBondContact O-N 2.91Å; R28-L30 VanDerWaalsContact C-N 3.3Å; R28-L30 PolarHBondContact O-N 2.82Å
29	S	32.1	Very low	36.7	Very low	105 Å²	105	146.8 Å²	146.8	73%	0.734	80%	0.803	S	S	*	*			trans	-62.9	96.5	162.9	45.3	0	0	0	0	108.4	M27 G31	M27-S29 PolarHBondContact O-N 3.3Å; S29-G31 PolarHBondContact O-N 2.72Å
30	L	36.1	Very low	38.2	Very low	150 Å²	150	140.2 Å²	140.2	79%	0.785	77%	0.771	S	S	*	*			trans	-65.6	82.9	160.7	-89	155.1	0	0	0	107.1	R28 F32	R28-L30 VanDerWaalsContact C-N 3.3Å; R28-L30 PolarHBondContact O-N 2.82Å; L30-F32 VanDerWaalsContact C-N 3.28Å; L30-F32 WeakPolarHBondContact O-CD2 3.25Å; L30-F32 PolarHBondContact O-N 2.6Å
31	G	30.8	Very low	40.6	Very low	57 Å²	57	136.7 Å²	136.7	59%	0.588	75%	0.749	S	S	*	*			trans	-63.6	92.2	172.5	0	0	0	0	0	108.6	S29 H33	S29-G31 PolarHBondContact O-N 2.72Å; G31-H33 PolarHBondContact O-N 2.93Å
32	F	36	Very low	43.3	Very low	179 Å²	179	132.2 Å²	132.2	79%	0.785	73%	0.734	S	S	*	*			trans	-60.4	94.6	165.2	-78.8	-89.8	0	0	0	107.4	L30 T34	L30-F32 VanDerWaalsContact C-N 3.28Å; L30-F32 WeakPolarHBondContact O-CD2 3.25Å; L30-F32 PolarHBondContact O-N 2.6Å; F32-T34 PolarHBondContact O-N 3.14Å
33	H	34.7	Very low	46.3	Very low	187 Å²	187	131.6 Å²	131.6	87%	0.866	72%	0.716	S	S	*	*			trans	-70.4	70.9	164.9	-75.2	-64.9	0	0	0	108.5	G31 A35	G31-H33 PolarHBondContact O-N 2.93Å; H33-A35 PolarHBondContact O-N 3.2Å
34	T	36.4	Very low	49.4	Very low	120 Å²	120	128.1 Å²	128.1	74%	0.736	68%	0.679	S	S	*	*			trans	-60.4	86.7	153.7	43.2	0	0	0	0	106.6	F32 A36	F32-T34 PolarHBondContact O-N 3.14Å; T34-A36 PolarHBondContact O-N 3.21Å
35	A	36.7	Very low	52.5	Low	92 Å²	92	123.4 Å²	123.4	76%	0.76	65%	0.648	S	S	*	*			trans	-65.5	79.3	165.2	0	0	0	0	0	107.1	H33 R37	H33-A35 PolarHBondContact O-N 3.2Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 2.9Å
36	A	38.1	Very low	55.6	Low	83 Å²	83	114.3 Å²	114.3	69%	0.686	61%	0.606	S	S	*	*			trans	-57.4	102.1	173.9	0	0	0	0	0	106.9	T34 C38	T34-A36 PolarHBondContact O-N 3.21Å; A36-C38 PolarHBondContact O-N 2.87Å
37	R	43.5	Very low	58.7	Low	244 Å²	244	104.8 Å²	104.8	92%	0.921	57%	0.565	S	S	*	*			trans	-62.1	96.4	159.9	-74.8	-178.6	175.1	174.6	-0.6	105.2	A35 A39	A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 2.9Å; R37-A39 PolarHBondContact O-N 2.87Å; R37-A39 VanDerWaalsContact O-N 3.08Å
38	C	47.6	Very low	61.9	Low	112 Å²	112	96.7 Å²	96.7	76%	0.757	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-48.3	122.4	160.9	-71.9	0	0	0	0	106.5	A36 A40	A36-C38 PolarHBondContact O-N 2.87Å; C38-A40 PolarHBondContact O-N 3Å
39	A	61.8	Low	65	Low	88 Å²	88	85.6 Å²	85.6	73%	0.727	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-58.1	135.1	170	0	0	0	0	0	107.3	R37 K41	R37-A39 PolarHBondContact O-N 2.87Å; R37-A39 VanDerWaalsContact O-N 3.08Å; A39-K41 PolarHBondContact O-N 2.62Å
40	A	67	Low	68.2	Low	19 Å²	19	80.8 Å²	80.8	16%	0.157	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-56	139.7	178.5	0	0	0	0	0	109.8	C38 E112 I114 K134	C38-A40 PolarHBondContact O-N 3Å; A40-E112 WeakPolarHBondContact CA-OE1 3.27Å; A40-E112 VanDerWaalsContact CB-OE1 3.22Å; A40-E112 WeakPolarHBondContact CB-OE1 3.3Å; A40-I114 HydrophobicContact CB-CD1 3.99Å; A40-I114 HydrophobicContact CB-CG1 4.18Å; A40-K134 WeakPolarHBondContact O-CE 3.49Å; A40-K134 PolarHBondContact O-NZ 3.2Å
41	K	83.8	Confident	71.2	Confident	98 Å²	98	73.8 Å²	73.8	43%	0.426	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-61.8	152.7	178.8	-52.4	178	-177.3	177.2	0	109.8	A39 Y43 Y44 G69	A39-K41 PolarHBondContact O-N 2.62Å; K41-Y43 WeakPolarHBondContact CB-O 3.38Å; K41-Y43 PolarHBondContact O-N 3.3Å; K41-Y44 HydrophobicContact CB-CE1 4.09Å; K41-Y44 HydrophobicContact CB-CE2 3.94Å; K41-Y44 HydrophobicContact CD-CD1 4.3Å; K41-Y44 HydrophobicContact CD-CE1 3.8Å; K41-Y44 HydrophobicContact CG-CE1 4.07Å; K41-Y44 PolarHBondContact N-OH 3.01Å; K41-Y44 WeakPolarHBondContact O-CE2 3.3Å; K41-G69 PolarHBondContact NZ-O 2.9Å
42	D	90.4	Very high	74.4	Confident	104 Å²	104	72.4 Å²	72.4	56%	0.556	40%	0.399	S	S	*	.	S	Bend	trans	-81.8	-2.2	172.4	-53.4	-61.6	0	0	0	112.5	K134 S137	D42-K134 IonicContact OD1-NZ 3.14Å; D42-K134 PolarHBondContact OD1-NZ 2.8Å; D42-S137 PolarHBondContact O-N 3.48Å; D42-S137 PolarHBondContact O-OG 3.15Å
43	Y	98	Very high	77.4	Confident	117 Å²	117	64.9 Å²	64.9	46%	0.459	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	140.8	-178.9	173.2	-96	0	0	0	112.8	K41 S137 K139	K41-Y43 WeakPolarHBondContact CB-O 3.38Å; K41-Y43 PolarHBondContact O-N 3.3Å; Y43-S137 WeakPolarHBondContact CA-O 3.36Å; Y43-S137 WeakPolarHBondContact CB-OG 3.21Å; Y43-S137 WeakPolarHBondContact CD2-OG 3.24Å; Y43-K139 HydrophobicContact CE2-CB 4.45Å
44	Y	98.6	Very high	80.5	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.7	168.2	-60.6	-90.1	0	0	0	110.8	K41 L47 A72 E112 I114 I136 S137 Y138 K139	K41-Y44 HydrophobicContact CB-CE1 4.09Å; K41-Y44 HydrophobicContact CB-CE2 3.94Å; K41-Y44 HydrophobicContact CD-CD1 4.3Å; K41-Y44 HydrophobicContact CD-CE1 3.8Å; K41-Y44 HydrophobicContact CG-CE1 4.07Å; K41-Y44 PolarHBondContact N-OH 3.01Å; K41-Y44 WeakPolarHBondContact O-CE2 3.3Å; Y44-L47 HydrophobicContact CD2-CD1 4.27Å; Y44-A72 HydrophobicContact CD1-CB 3.56Å; Y44-A72 HydrophobicContact CD2-CB 3.75Å; Y44-A72 HydrophobicContact CE1-CB 3.55Å; Y44-A72 HydrophobicContact CE2-CB 3.76Å; Y44-A72 HydrophobicContact CG-CB 3.66Å; Y44-E112 HydrophobicContact CE1-CB 4.31Å; Y44-E112 WeakPolarHBondContact CE1-OE2 3.28Å; Y44-E112 PolarHBondContact OH-OE1 2.81Å; Y44-E112 VanDerWaalsContact OH-OE1 3.07Å; Y44-E112 PolarHBondContact OH-OE2 3.21Å; Y44-I114 HydrophobicContact CE2-CD1 3.82Å; Y44-I136 HydrophobicContact CD2-CG2 3.75Å; Y44-I136 HydrophobicContact CE2-CG2 3.92Å; Y44-S137 PolarHBondContact N-O 2.97Å; Y44-Y138 WeakPolarHBondContact O-CA 3.49Å; Y44-K139 PolarHBondContact O-N 3.03Å
45	E	98.6	Very high	83.5	Confident	40 Å²	40	50.4 Å²	50.4	19%	0.187	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-39.2	174.1	-163	175.9	-171.2	0	0	111.1	V66 N70 K139 Y140	E45-V66 HydrophobicContact CG-CG1 4.37Å; E45-V66 WeakPolarHBondContact OE2-CB 3.38Å; E45-V66 VanDerWaalsContact OE2-CG1 3.24Å; E45-V66 WeakPolarHBondContact OE2-CG1 3.49Å; E45-N70 HydrophobicContact CB-CB 4.07Å; E45-N70 PolarHBondContact N-O 2.92Å; E45-K139 HydrophobicContact CG-CB 4.03Å; E45-K139 HydrophobicContact CG-CD 3.56Å; E45-K139 HydrophobicContact CG-CG 4.44Å; E45-K139 WeakPolarHBondContact O-CB 3.41Å; E45-K139 WeakPolarHBondContact OE1-CD 3.38Å; E45-K139 IonicContact OE1-NZ 3.13Å; E45-K139 PolarHBondContact OE1-NZ 2.82Å; E45-Y140 HydrophobicContact CG-CD2 4.45Å; E45-Y140 PolarHBondContact O-N 2.72Å
46	V	98.9	Very high	86.4	Confident	1 Å²	1	46 Å²	46	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	114.5	172.8	-174.6	0	0	0	0	110.3	V48 M62 V66 N70 V71 A72 Y140 I142 M364	V46-V48 HydrophobicContact CG1-CG2 4.19Å; V46-M62 HydrophobicContact CG1-CB 4.29Å; V46-M62 HydrophobicContact CG1-CG 4.07Å; V46-M62 HydrophobicContact CG2-CB 4.44Å; V46-V66 HydrophobicContact CG2-CG1 4.41Å; V46-V66 HydrophobicContact CG2-CG2 4.07Å; V46-N70 PolarHBondContact N-O 3.31Å; V46-V71 HydrophobicContact CB-CG1 4.47Å; V46-V71 HydrophobicContact CB-CG2 4.34Å; V46-V71 VanDerWaalsContact O-CA 3.31Å; V46-V71 WeakPolarHBondContact O-CA 3.49Å; V46-A72 PolarHBondContact O-N 3.09Å; V46-A72 VanDerWaalsContact O-N 3.16Å; V46-Y140 WeakPolarHBondContact CA-O 3.26Å; V46-Y140 HydrophobicContact CG2-CD2 4.41Å; V46-I142 HydrophobicContact CG1-CD1 3.78Å; V46-I142 HydrophobicContact CG1-CG1 4.11Å; V46-M364 HydrophobicContact CG2-CE 3.93Å
47	L	98.9	Very high	89.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.7	171.4	-171.9	63.2	0	0	0	110	Y44 L49 A72 V74 V128 I136 Y138 Y140 L141 I142	Y44-L47 HydrophobicContact CD2-CD1 4.27Å; L47-L49 HydrophobicContact CD2-CD2 4.3Å; L47-L49 HydrophobicContact CG-CD2 4.28Å; L47-A72 HydrophobicContact CD1-CB 3.98Å; L47-V74 HydrophobicContact CD1-CG2 4.02Å; L47-V128 HydrophobicContact CD2-CG1 4.28Å; L47-V128 HydrophobicContact CD2-CG2 3.58Å; L47-I136 HydrophobicContact CD1-CG2 4.14Å; L47-I136 HydrophobicContact CD2-CB 4.31Å; L47-I136 HydrophobicContact CD2-CG2 3.86Å; L47-Y138 HydrophobicContact CB-CG 4.49Å; L47-Y138 HydrophobicContact CD2-CD1 4.12Å; L47-Y140 PolarHBondContact N-O 2.82Å; L47-L141 HydrophobicContact CB-CD1 3.99Å; L47-L141 HydrophobicContact CD2-CD1 4.07Å; L47-L141 HydrophobicContact CG-CD1 4.1Å; L47-L141 WeakPolarHBondContact O-CA 3.47Å; L47-I142 PolarHBondContact O-N 3.38Å
48	V	98.9	Very high	92	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.5	-179.5	-171.8	0	0	0	0	109.9	V46 V71 A72 V73 V74 I142	V46-V48 HydrophobicContact CG1-CG2 4.19Å; V48-V71 HydrophobicContact CG2-CG1 4.24Å; V48-A72 PolarHBondContact N-O 3.45Å; V48-V73 HydrophobicContact CB-CG2 4.29Å; V48-V73 WeakPolarHBondContact O-CA 3.09Å; V48-V74 PolarHBondContact O-N 2.82Å; V48-I142 WeakPolarHBondContact CA-O 3.36Å; V48-I142 HydrophobicContact CG1-CB 4.34Å; V48-I142 HydrophobicContact CG1-CG2 4.5Å; V48-I142 HydrophobicContact CG2-CB 4.28Å; V48-I142 HydrophobicContact CG2-CD1 4.39Å
49	L	98.9	Very high	94.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.3	179.6	-51.9	-176.6	0	0	0	110.3	L47 V74 V118 L121 V128 L141 I142 I143 A144 L145	L47-L49 HydrophobicContact CD2-CD2 4.3Å; L47-L49 HydrophobicContact CG-CD2 4.28Å; L49-V74 HydrophobicContact CD2-CB 4.09Å; L49-V74 HydrophobicContact CD2-CG2 4.03Å; L49-V118 HydrophobicContact CD1-CG1 4.48Å; L49-V118 HydrophobicContact CD1-CG2 4.35Å; L49-V118 HydrophobicContact CD2-CB 4.5Å; L49-L121 HydrophobicContact CD1-CD2 3.72Å; L49-L121 HydrophobicContact CD1-CG 4.26Å; L49-V128 HydrophobicContact CD1-CG1 4.18Å; L49-V128 HydrophobicContact CD2-CG1 4.28Å; L49-V128 HydrophobicContact CD2-CG2 4.34Å; L49-L141 HydrophobicContact CD1-CD1 4.04Å; L49-L141 HydrophobicContact CD1-CD2 4.29Å; L49-L141 HydrophobicContact CD2-CD1 4.16Å; L49-L141 HydrophobicContact CG-CD1 3.83Å; L49-I142 PolarHBondContact N-O 3.06Å; L49-I143 HydrophobicContact CD1-CG1 4.26Å; L49-A144 CarbonylContact O-C 3.6Å; L49-A144 VanDerWaalsContact O-C 3.29Å; L49-A144 WeakPolarHBondContact O-CA 3.42Å; L49-A144 PolarHBondContact O-N 2.98Å; L49-L145 HydrophobicContact CB-CD1 4.31Å; L49-L145 HydrophobicContact CB-CD2 3.93Å; L49-L145 HydrophobicContact CB-CG 3.96Å; L49-L145 PolarHBondContact O-N 3.46Å
50	G	98.8	Very high	96.2	Very high	4 Å²	4	21.2 Å²	21.2	4%	0.041	11%	0.113	C	C	.	.			trans	91.5	128.6	-173.6	0	0	0	0	0	112.4	G55 V74	G50-G55 WeakPolarHBondContact O-CA 3.34Å; G50-V74 WeakPolarHBondContact CA-O 3.39Å; G50-V74 PolarHBondContact N-O 2.85Å
51	G	98.6	Very high	97.7	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.021	11%	0.109	C	C	.	.			trans	-99.7	24.7	175	0	0	0	0	0	112.9	I56 E75 H80	G51-I56 WeakPolarHBondContact O-CG1 3.45Å; G51-E75 WeakPolarHBondContact CA-OE2 3.31Å; G51-E75 PolarHBondContact N-OE2 3.31Å; G51-H80 PolarHBondContact O-CE1 2.96Å; G51-H80 PolarHBondContact O-ND1 2.76Å
52	G	98.6	Very high	98.4	Very high	28 Å²	28	16.6 Å²	16.6	29%	0.289	9%	0.088	S	C	.	.	S	Bend	trans	-74.4	-168	168.8	0	0	0	0	0	113.3	G54 G55 I56	G52-G54 VanDerWaalsContact C-N 3.34Å; G52-G54 PolarHBondContact O-N 3.16Å; G52-G55 PolarHBondContact O-N 2.98Å; G52-I56 PolarHBondContact O-N 3.43Å
53	T	98.9	Very high	98.8	Very high	21 Å²	21	14.6 Å²	14.6	13%	0.129	8%	0.075	C	C	.	.	H	α-helix	trans	-49	-50.6	-176.7	-45.8	0	0	0	0	113.2	T57 A346 I349 Y426 L430	T53-T57 WeakPolarHBondContact O-CB 3.32Å; T53-T57 PolarHBondContact O-N 2.86Å; T53-T57 PolarHBondContact O-OG1 2.89Å; T53-A346 HydrophobicContact CG2-CB 4.46Å; T53-I349 HydrophobicContact CG2-CB 4.44Å; T53-I349 HydrophobicContact CG2-CD1 4.43Å; T53-I349 HydrophobicContact CG2-CG2 3.84Å; T53-Y426 HydrophobicContact CG2-CE2 3.56Å; T53-Y426 PolarHBondContact OG1-OH 2.69Å; T53-Y426 VanDerWaalsContact OG1-OH 3.05Å; T53-L430 HydrophobicContact CG2-CD2 3.85Å
54	G	98.9	Very high	98.8	Very high	4 Å²	4	14.4 Å²	14.4	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-66.5	-50.9	-177.1	0	0	0	0	0	111.8	G52 T57 M58	G52-G54 VanDerWaalsContact C-N 3.34Å; G52-G54 PolarHBondContact O-N 3.16Å; G54-T57 PolarHBondContact O-N 2.94Å; G54-M58 WeakPolarHBondContact O-CB 3.35Å; G54-M58 WeakPolarHBondContact O-CG 3.39Å; G54-M58 PolarHBondContact O-N 2.92Å
55	G	98.9	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-45.7	-175.2	0	0	0	0	0	113.7	G50 G52 M58 S59 A144	G50-G55 WeakPolarHBondContact O-CA 3.34Å; G52-G55 PolarHBondContact O-N 2.98Å; G55-M58 PolarHBondContact O-N 3.44Å; G55-S59 VanDerWaalsContact O-CB 3.27Å; G55-S59 WeakPolarHBondContact O-CB 3.4Å; G55-S59 PolarHBondContact O-N 2.85Å; G55-S59 PolarHBondContact O-OG 3.15Å; G55-A144 VanDerWaalsContact N-CB 3.34Å
56	I	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.3	-44.5	176.7	-63.6	-66.8	0	0	0	111	G51 G52 M58 S59 A60 V106 M107 L431	G51-I56 WeakPolarHBondContact O-CG1 3.45Å; G52-I56 PolarHBondContact O-N 3.43Å; I56-M58 PolarHBondContact O-N 2.89Å; I56-S59 PolarHBondContact O-N 3.25Å; I56-A60 PolarHBondContact O-N 3.11Å; I56-V106 VanDerWaalsContact CG2-O 3.23Å; I56-V106 WeakPolarHBondContact CG2-O 3.35Å; I56-M107 HydrophobicContact CD1-CE 3.6Å; I56-M107 HydrophobicContact CD1-SD 3.84Å; I56-L431 HydrophobicContact CB-CD2 4.2Å; I56-L431 HydrophobicContact CG2-CB 3.83Å; I56-L431 HydrophobicContact CG2-CD1 4.32Å; I56-L431 HydrophobicContact CG2-CD2 4.06Å; I56-L431 HydrophobicContact CG2-CG 4.28Å
57	T	98.9	Very high	98.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.7	-47.3	176.2	-60.7	0	0	0	0	111.4	T53 G54 A60 R61 S353 L430	T53-T57 WeakPolarHBondContact O-CB 3.32Å; T53-T57 PolarHBondContact O-N 2.86Å; T53-T57 PolarHBondContact O-OG1 2.89Å; G54-T57 PolarHBondContact O-N 2.94Å; T57-A60 PolarHBondContact O-N 3.44Å; T57-R61 VanDerWaalsContact O-CG 3.28Å; T57-R61 WeakPolarHBondContact O-CG 3.39Å; T57-R61 PolarHBondContact O-N 3.27Å; T57-R61 VanDerWaalsContact O-N 3.14Å; T57-S353 WeakPolarHBondContact CG2-OG 3.44Å; T57-L430 HydrophobicContact CG2-CD1 3.7Å; T57-L430 HydrophobicContact CG2-CG 4.5Å; T57-L430 WeakPolarHBondContact CG2-O 3.28Å; T57-L430 PolarHBondContact OG1-O 2.69Å
58	M	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69	-38.5	178.9	-70.4	-51.6	-58	0	0	112	G54 G55 I56 A60 R61 M62 I142 I334 L356 I360	G54-M58 WeakPolarHBondContact O-CB 3.35Å; G54-M58 WeakPolarHBondContact O-CG 3.39Å; G54-M58 PolarHBondContact O-N 2.92Å; G55-M58 PolarHBondContact O-N 3.44Å; I56-M58 PolarHBondContact O-N 2.89Å; M58-A60 VanDerWaalsContact C-N 3.33Å; M58-A60 PolarHBondContact O-N 3.02Å; M58-R61 CarbonylContact O-C 3.44Å; M58-R61 WeakPolarHBondContact O-CB 3.48Å; M58-R61 PolarHBondContact O-N 3.18Å; M58-R61 VanDerWaalsContact O-N 3.1Å; M58-M62 HydrophobicContact CE-CE 3.73Å; M58-M62 WeakPolarHBondContact O-CB 3.41Å; M58-M62 VanDerWaalsContact O-CG 3.24Å; M58-M62 WeakPolarHBondContact O-CG 3.37Å; M58-M62 PolarHBondContact O-N 3Å; M58-I142 HydrophobicContact CB-CD1 4.06Å; M58-I142 HydrophobicContact CB-CG2 4.17Å; M58-I142 HydrophobicContact CE-CD1 4.09Å; M58-I142 HydrophobicContact CG-CG2 4.17Å; M58-I334 HydrophobicContact CG-CD1 3.8Å; M58-I334 HydrophobicContact CG-CG2 4.15Å; M58-I334 HydrophobicContact SD-CD1 3.89Å; M58-L356 HydrophobicContact CE-CB 4.08Å; M58-L356 HydrophobicContact CE-CD2 3.73Å; M58-L356 HydrophobicContact CE-CG 3.62Å; M58-L356 HydrophobicContact CG-CD2 4.33Å; M58-L356 HydrophobicContact SD-CB 4.35Å; M58-L356 HydrophobicContact SD-CD2 4.04Å; M58-L356 HydrophobicContact SD-CG 4.32Å; M58-I360 HydrophobicContact CE-CD1 3.97Å
59	S	98.9	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-41.8	175.4	-58	0	0	0	0	111.8	G55 I56 R61 M62 K63 V73	G55-S59 VanDerWaalsContact O-CB 3.27Å; G55-S59 WeakPolarHBondContact O-CB 3.4Å; G55-S59 PolarHBondContact O-N 2.85Å; G55-S59 PolarHBondContact O-OG 3.15Å; I56-S59 PolarHBondContact O-N 3.25Å; S59-R61 VanDerWaalsContact C-N 3.31Å; S59-R61 PolarHBondContact O-N 3.4Å; S59-M62 PolarHBondContact O-N 2.89Å; S59-K63 VanDerWaalsContact O-CB 3.27Å; S59-K63 WeakPolarHBondContact O-CB 3.4Å; S59-K63 PolarHBondContact O-N 3.17Å; S59-V73 WeakPolarHBondContact OG-CG2 3.5Å
60	A	98.9	Very high	98.6	Very high	6 Å²	6	25 Å²	25	5%	0.05	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-32.7	175	0	0	0	0	0	112.8	I56 T57 M58 R64 P108 L431	I56-A60 PolarHBondContact O-N 3.11Å; T57-A60 PolarHBondContact O-N 3.44Å; M58-A60 VanDerWaalsContact C-N 3.33Å; M58-A60 PolarHBondContact O-N 3.02Å; A60-R64 PolarHBondContact O-NH1 3.2Å; A60-P108 HydrophobicContact CB-CB 4.27Å; A60-P108 HydrophobicContact CB-CG 3.86Å; A60-L431 VanDerWaalsContact CB-O 3.29Å; A60-L431 WeakPolarHBondContact CB-O 3.43Å
61	R	98.8	Very high	98.6	Very high	19 Å²	19	24.8 Å²	24.8	7%	0.072	15%	0.147	C	C	.	.	H	α-helix	trans	-71.7	-44.5	173.9	-70.5	170.9	172	-66.2	-2.7	112.1	T57 M58 S59 R64 S353 D357 G433 W435	T57-R61 VanDerWaalsContact O-CG 3.28Å; T57-R61 WeakPolarHBondContact O-CG 3.39Å; T57-R61 PolarHBondContact O-N 3.27Å; T57-R61 VanDerWaalsContact O-N 3.14Å; M58-R61 CarbonylContact O-C 3.44Å; M58-R61 WeakPolarHBondContact O-CB 3.48Å; M58-R61 PolarHBondContact O-N 3.18Å; M58-R61 VanDerWaalsContact O-N 3.1Å; S59-R61 VanDerWaalsContact C-N 3.31Å; S59-R61 PolarHBondContact O-N 3.4Å; R61-R64 PolarHBondContact O-N 3.09Å; R61-S353 PolarHBondContact NE-O 3.06Å; R61-S353 PolarHBondContact NE-OG 2.8Å; R61-S353 PolarHBondContact NH2-OG 3.1Å; R61-D357 WeakPolarHBondContact CB-OD2 3.36Å; R61-D357 WeakPolarHBondContact CD-OD2 3.41Å; R61-D357 WeakPolarHBondContact CG-OD2 3.34Å; R61-D357 IonicContact CZ-OD2 3.55Å; R61-D357 IonicContact NE-OD2 2.79Å; R61-D357 IonicContact NH1-OD2 2.88Å; R61-D357 PolarHBondContact NH1-OD2 3.33Å; R61-G433 PolarHBondContact NH1-O 3.03Å; R61-G433 PolarHBondContact NH2-O 3.29Å; R61-W435 PolarHBondContact NH2-O 3.14Å
62	M	98.9	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-73.7	-35.9	-177.5	-65.7	-62.1	123	0	0	112.7	V46 M58 S59 R64 K65 V66 V71 I142 I360	V46-M62 HydrophobicContact CG1-CB 4.29Å; V46-M62 HydrophobicContact CG1-CG 4.07Å; V46-M62 HydrophobicContact CG2-CB 4.44Å; M58-M62 HydrophobicContact CE-CE 3.73Å; M58-M62 WeakPolarHBondContact O-CB 3.41Å; M58-M62 VanDerWaalsContact O-CG 3.24Å; M58-M62 WeakPolarHBondContact O-CG 3.37Å; M58-M62 PolarHBondContact O-N 3Å; S59-M62 PolarHBondContact O-N 2.89Å; M62-R64 PolarHBondContact O-N 3.13Å; M62-K65 HydrophobicContact CE-CD 3.78Å; M62-K65 PolarHBondContact O-N 2.86Å; M62-K65 HydrophobicContact SD-CD 3.91Å; M62-V66 WeakPolarHBondContact O-CG2 3.09Å; M62-V66 PolarHBondContact O-N 3.01Å; M62-V71 HydrophobicContact CB-CG2 4.12Å; M62-I142 HydrophobicContact CG-CD1 3.79Å; M62-I142 HydrophobicContact SD-CD1 4.43Å; M62-I360 HydrophobicContact CE-CB 4.09Å; M62-I360 HydrophobicContact CE-CD1 3.78Å; M62-I360 HydrophobicContact CE-CG2 4.17Å; M62-I360 HydrophobicContact SD-CB 4.33Å; M62-I360 HydrophobicContact SD-CD1 4.01Å; M62-I360 HydrophobicContact SD-CG2 3.76Å
63	K	98.7	Very high	98.7	Very high	62 Å²	62	23.3 Å²	23.3	27%	0.27	13%	0.133	S	C	.	.	H	α-helix	trans	-47.9	-36.3	169.4	164.9	174	171	176.4	0	112.6	S59 K65 G67 A68 P108 Q109 V111	S59-K63 VanDerWaalsContact O-CB 3.27Å; S59-K63 WeakPolarHBondContact O-CB 3.4Å; S59-K63 PolarHBondContact O-N 3.17Å; K63-K65 VanDerWaalsContact C-N 3.34Å; K63-G67 CarbonylContact O-C 3.52Å; K63-G67 VanDerWaalsContact O-CA 3.25Å; K63-G67 WeakPolarHBondContact O-CA 3.37Å; K63-G67 PolarHBondContact O-N 3.33Å; K63-A68 HydrophobicContact CD-CB 3.91Å; K63-A68 HydrophobicContact CG-CB 3.88Å; K63-P108 HydrophobicContact CD-CB 4.11Å; K63-Q109 WeakPolarHBondContact CE-O 3.35Å; K63-Q109 PolarHBondContact NZ-O 2.85Å; K63-V111 HydrophobicContact CB-CG2 3.94Å; K63-V111 HydrophobicContact CD-CG2 4.19Å; K63-V111 HydrophobicContact CG-CG2 4.41Å
64	R	98.6	Very high	98.7	Very high	114 Å²	114	22.4 Å²	22.4	43%	0.43	13%	0.127	S	C	.	.	H	α-helix	trans	-83.1	-3.8	180	-63.1	-173.4	-61.7	-109.7	3.2	114.5	A60 R61 M62 K432 G433	A60-R64 PolarHBondContact O-NH1 3.2Å; R61-R64 PolarHBondContact O-N 3.09Å; M62-R64 PolarHBondContact O-N 3.13Å; R64-K432 PolarHBondContact NH1-O 3.29Å; R64-G433 PolarHBondContact NH2-O 3.4Å
65	K	98.1	Very high	98.6	Very high	76 Å²	76	23.7 Å²	23.7	33%	0.33	13%	0.132	S	C	.	.	H	α-helix	trans	-105	-50.7	177.1	-59.4	-175.2	-167.8	-63.9	0	111.8	M62 K63 D357 S361 M364	M62-K65 HydrophobicContact CE-CD 3.78Å; M62-K65 PolarHBondContact O-N 2.86Å; M62-K65 HydrophobicContact SD-CD 3.91Å; K63-K65 VanDerWaalsContact C-N 3.34Å; K65-D357 VanDerWaalsContact CE-O 3.31Å; K65-D357 WeakPolarHBondContact CE-O 3.47Å; K65-D357 WeakPolarHBondContact CE-OD1 3.43Å; K65-D357 PolarHBondContact NZ-O 2.68Å; K65-D357 IonicContact NZ-OD1 2.66Å; K65-D357 PolarHBondContact NZ-OD1 3.02Å; K65-S361 VanDerWaalsContact CE-OG 3.3Å; K65-S361 WeakPolarHBondContact CE-OG 3.37Å; K65-S361 PolarHBondContact NZ-OG 3.37Å; K65-M364 HydrophobicContact CD-SD 4.48Å
66	V	98.4	Very high	98.6	Very high	19 Å²	19	26.1 Å²	26.1	12%	0.115	15%	0.147	C	C	.	.	H	α-helix	trans	-107.4	-0.6	-172.5	-61	0	0	0	0	113.8	E45 V46 M62 N70 V71 M364	E45-V66 HydrophobicContact CG-CG1 4.37Å; E45-V66 WeakPolarHBondContact OE2-CB 3.38Å; E45-V66 VanDerWaalsContact OE2-CG1 3.24Å; E45-V66 WeakPolarHBondContact OE2-CG1 3.49Å; V46-V66 HydrophobicContact CG2-CG1 4.41Å; V46-V66 HydrophobicContact CG2-CG2 4.07Å; M62-V66 WeakPolarHBondContact O-CG2 3.09Å; M62-V66 PolarHBondContact O-N 3.01Å; V66-N70 HydrophobicContact CB-CB 4.22Å; V66-N70 HydrophobicContact CG2-CB 4.03Å; V66-N70 WeakPolarHBondContact O-CB 3.37Å; V66-N70 PolarHBondContact O-ND2 2.89Å; V66-V71 HydrophobicContact CG2-CG2 3.56Å; V66-M364 HydrophobicContact CG1-CE 3.63Å; V66-M364 HydrophobicContact CG1-SD 4.34Å
67	G	98.4	Very high	98.6	Very high	35 Å²	35	28.3 Å²	28.3	36%	0.361	16%	0.163	S	C	.	.			trans	82.4	159	-170.5	0	0	0	0	0	112.5	K63	K63-G67 CarbonylContact O-C 3.52Å; K63-G67 VanDerWaalsContact O-CA 3.25Å; K63-G67 WeakPolarHBondContact O-CA 3.37Å; K63-G67 PolarHBondContact O-N 3.33Å
68	A	97.9	Very high	98.6	Very high	24 Å²	24	36.3 Å²	36.3	20%	0.198	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-69.5	-46.2	-170.1	0	0	0	0	0	113.1	K63 N70 V71 G110 V111	K63-A68 HydrophobicContact CD-CB 3.91Å; K63-A68 HydrophobicContact CG-CB 3.88Å; A68-N70 PolarHBondContact O-N 3.43Å; A68-V71 PolarHBondContact O-N 3.1Å; A68-V71 VanDerWaalsContact O-N 3.07Å; A68-G110 CarbonylContact C-O 3.56Å; A68-G110 VanDerWaalsContact CB-C 3.47Å; A68-G110 WeakPolarHBondContact CB-O 3.28Å; A68-V111 HydrophobicContact CB-CG2 4.42Å
69	G	97.5	Very high	98.6	Very high	40 Å²	40	38.5 Å²	38.5	41%	0.412	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-71.5	2.3	-177.8	0	0	0	0	0	115.9	K41 G110	K41-G69 PolarHBondContact NZ-O 2.9Å; G69-G110 PolarHBondContact N-O 2.74Å
70	N	98.6	Very high	98.6	Very high	70 Å²	70	38.9 Å²	38.9	37%	0.374	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-104.2	2.8	173.4	-69.5	-21.8	0	0	0	112.5	E45 V46 V66 A68	E45-N70 HydrophobicContact CB-CB 4.07Å; E45-N70 PolarHBondContact N-O 2.92Å; V46-N70 PolarHBondContact N-O 3.31Å; V66-N70 HydrophobicContact CB-CB 4.22Å; V66-N70 HydrophobicContact CG2-CB 4.03Å; V66-N70 WeakPolarHBondContact O-CB 3.37Å; V66-N70 PolarHBondContact O-ND2 2.89Å; A68-N70 PolarHBondContact O-N 3.43Å
71	V	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.9	176.7	-170.8	0	0	0	0	110	V46 V48 M62 V66 A68 V111 E112	V46-V71 HydrophobicContact CB-CG1 4.47Å; V46-V71 HydrophobicContact CB-CG2 4.34Å; V46-V71 VanDerWaalsContact O-CA 3.31Å; V46-V71 WeakPolarHBondContact O-CA 3.49Å; V48-V71 HydrophobicContact CG2-CG1 4.24Å; M62-V71 HydrophobicContact CB-CG2 4.12Å; V66-V71 HydrophobicContact CG2-CG2 3.56Å; A68-V71 PolarHBondContact O-N 3.1Å; A68-V71 VanDerWaalsContact O-N 3.07Å; V71-V111 HydrophobicContact CB-CG1 3.98Å; V71-V111 HydrophobicContact CB-CG2 4.12Å; V71-V111 HydrophobicContact CG1-CG1 3.84Å; V71-V111 HydrophobicContact CG1-CG2 4.44Å; V71-V111 WeakPolarHBondContact O-CG1 3.18Å; V71-E112 PolarHBondContact O-N 2.79Å; V71-E112 VanDerWaalsContact O-N 3.15Å
72	A	98.8	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.4	170	0	0	0	0	0	112.3	Y44 V46 L47 V48 E112 I114	Y44-A72 HydrophobicContact CD1-CB 3.56Å; Y44-A72 HydrophobicContact CD2-CB 3.75Å; Y44-A72 HydrophobicContact CE1-CB 3.55Å; Y44-A72 HydrophobicContact CE2-CB 3.76Å; Y44-A72 HydrophobicContact CG-CB 3.66Å; V46-A72 PolarHBondContact O-N 3.09Å; V46-A72 VanDerWaalsContact O-N 3.16Å; L47-A72 HydrophobicContact CD1-CB 3.98Å; V48-A72 PolarHBondContact N-O 3.45Å; A72-E112 CarbonylContact C-O 3.57Å; A72-E112 WeakPolarHBondContact CA-O 3.29Å; A72-E112 HydrophobicContact CB-CB 4.16Å; A72-I114 HydrophobicContact CB-CD1 3.82Å; A72-I114 HydrophobicContact CB-CG1 4.25Å
73	V	98.9	Very high	98.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.9	177.4	-169.8	0	0	0	0	110.1	V48 S59 E75 M107 V111 E112 I114	V48-V73 HydrophobicContact CB-CG2 4.29Å; V48-V73 WeakPolarHBondContact O-CA 3.09Å; S59-V73 WeakPolarHBondContact OG-CG2 3.5Å; V73-E75 HydrophobicContact CG1-CB 4.43Å; V73-M107 HydrophobicContact CB-CE 3.78Å; V73-M107 HydrophobicContact CB-SD 3.93Å; V73-M107 HydrophobicContact CG1-CE 4.05Å; V73-M107 HydrophobicContact CG2-CE 4.06Å; V73-M107 HydrophobicContact CG2-SD 3.55Å; V73-M107 VanDerWaalsContact CG2-SD 3.55Å; V73-V111 HydrophobicContact CG2-CG1 3.87Å; V73-E112 PolarHBondContact N-O 2.81Å; V73-I114 PolarHBondContact O-N 2.85Å
74	V	98.8	Very high	98.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	110.5	172.9	-179.8	0	0	0	0	108.4	L47 V48 L49 G50 I114 S116 V118 L130	L47-V74 HydrophobicContact CD1-CG2 4.02Å; V48-V74 PolarHBondContact O-N 2.82Å; L49-V74 HydrophobicContact CD2-CB 4.09Å; L49-V74 HydrophobicContact CD2-CG2 4.03Å; G50-V74 WeakPolarHBondContact CA-O 3.39Å; G50-V74 PolarHBondContact N-O 2.85Å; V74-I114 HydrophobicContact CG2-CB 4.33Å; V74-S116 WeakPolarHBondContact CG1-O 3.27Å; V74-V118 HydrophobicContact CG1-CB 4.23Å; V74-L130 HydrophobicContact CG1-CD2 3.61Å; V74-L130 HydrophobicContact CG2-CD2 4.15Å
75	E	98.7	Very high	98.5	Very high	30 Å²	30	38.4 Å²	38.4	14%	0.14	22%	0.218	C	C	.	.			trans	-152	118	-178.9	173.9	56	-113.3	0	0	111.2	G51 V73 S77 T103 W113 I114 K115 S116	G51-E75 WeakPolarHBondContact CA-OE2 3.31Å; G51-E75 PolarHBondContact N-OE2 3.31Å; V73-E75 HydrophobicContact CG1-CB 4.43Å; E75-S77 WeakPolarHBondContact OE1-CA 3.46Å; E75-S77 WeakPolarHBondContact OE1-CB 3.37Å; E75-S77 PolarHBondContact OE1-N 3.49Å; E75-T103 HydrophobicContact CG-CG2 4.07Å; E75-W113 PolarHBondContact O-NE1 2.87Å; E75-I114 PolarHBondContact N-O 3.38Å; E75-K115 WeakPolarHBondContact O-CA 3.47Å; E75-S116 CarbonylContact C-O 3.59Å; E75-S116 PolarHBondContact N-O 3.16Å
76	P	98.3	Very high	98.6	Very high	51 Å²	51	35.5 Å²	35.5	33%	0.331	21%	0.205	S	C	.	.			trans	-77.9	-26	178.1	29.7	-34.5	0	0	0	113.9	K78 S116 R117	P76-K78 PolarHBondContact O-N 2.83Å; P76-S116 WeakPolarHBondContact CD-O 3.15Å; P76-R117 HydrophobicContact CG-CB 4.33Å
77	S	98.4	Very high	98.6	Very high	46 Å²	46	35.1 Å²	35.1	32%	0.322	20%	0.203	S	C	.	.			trans	-70.6	129.8	-175.5	-174.8	0	0	0	0	112.5	E75 T79 T103 W113	E75-S77 WeakPolarHBondContact OE1-CA 3.46Å; E75-S77 WeakPolarHBondContact OE1-CB 3.37Å; E75-S77 PolarHBondContact OE1-N 3.49Å; S77-T79 PolarHBondContact O-N 3.08Å; S77-T79 PolarHBondContact OG-N 3.43Å; S77-T79 VanDerWaalsContact OG-N 3.13Å; S77-T79 PolarHBondContact OG-O 3.41Å; S77-T103 WeakPolarHBondContact O-CB 3.37Å; S77-T103 PolarHBondContact O-OG1 3.26Å; S77-W113 VanDerWaalsContact O-CZ2 3.32Å; S77-W113 WeakPolarHBondContact O-CZ2 3.42Å
78	K	98.6	Very high	98.6	Very high	169 Å²	169	33.5 Å²	33.5	74%	0.735	19%	0.185	S	C	*	.	S	Bend	trans	-75.3	-12.7	171.7	-60.8	175.5	-173.3	171.7	0	113.2	P76 P102 T103	P76-K78 PolarHBondContact O-N 2.83Å; K78-P102 WeakPolarHBondContact O-CA 3.35Å; K78-T103 PolarHBondContact O-N 3.36Å; K78-T103 PolarHBondContact O-OG1 3.45Å
79	T	98.8	Very high	98.7	Very high	46 Å²	46	32.6 Å²	32.6	28%	0.282	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.6	-177.1	-48.5	0	0	0	0	111.6	S77 Y81 A100 R101 T103	S77-T79 PolarHBondContact O-N 3.08Å; S77-T79 PolarHBondContact OG-N 3.43Å; S77-T79 VanDerWaalsContact OG-N 3.13Å; S77-T79 PolarHBondContact OG-O 3.41Å; T79-Y81 HydrophobicContact CG2-CD1 4.42Å; T79-Y81 HydrophobicContact CG2-CD2 4.19Å; T79-Y81 HydrophobicContact CG2-CE1 3.86Å; T79-Y81 HydrophobicContact CG2-CE2 3.58Å; T79-A100 HydrophobicContact CG2-CB 3.87Å; T79-R101 WeakPolarHBondContact CA-O 3.35Å; T79-R101 WeakPolarHBondContact CG2-O 3.4Å; T79-T103 PolarHBondContact N-OG1 3.35Å
80	H	98.9	Very high	98.7	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.032	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.1	172.8	-178	114.1	0	0	0	109.8	G51 R101 T103 V106 Y426 W427	G51-H80 PolarHBondContact O-CE1 2.96Å; G51-H80 PolarHBondContact O-ND1 2.76Å; H80-R101 PolarHBondContact N-O 3.12Å; H80-R101 PolarHBondContact O-N 2.89Å; H80-T103 PolarHBondContact N-OG1 3.06Å; H80-V106 HydrophobicContact CB-CG2 3.75Å; H80-Y426 AromaticContact NE2-CE1 3.68Å; H80-Y426 AromaticContact NE2-CZ 3.61Å; H80-Y426 PolarHBondContact NE2-OH 3.29Å; H80-W427 AromaticContact CD2-CH2 3.86Å; H80-W427 AromaticContact CD2-CZ3 3.54Å
81	Y	98.9	Very high	98.7	Very high	56 Å²	56	27.4 Å²	27.4	22%	0.22	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.4	-173.8	-65.9	-87	0	0	0	113.7	T79 Q83 W86 S99 A100 V172	T79-Y81 HydrophobicContact CG2-CD1 4.42Å; T79-Y81 HydrophobicContact CG2-CD2 4.19Å; T79-Y81 HydrophobicContact CG2-CE1 3.86Å; T79-Y81 HydrophobicContact CG2-CE2 3.58Å; Y81-Q83 PolarHBondContact O-N 3.42Å; Y81-W86 AromaticContact CD1-CZ2 3.69Å; Y81-W86 HydrophobicContact CD1-CZ2 3.69Å; Y81-W86 HydrophobicContact CD2-CZ2 4.27Å; Y81-W86 HydrophobicContact CE1-CZ2 4.34Å; Y81-W86 HydrophobicContact CG-CH2 4.43Å; Y81-W86 AromaticContact CG-CZ2 3.64Å; Y81-W86 HydrophobicContact CG-CZ2 3.64Å; Y81-S99 CarbonylContact C-O 3.52Å; Y81-S99 VanDerWaalsContact CA-O 3.29Å; Y81-S99 WeakPolarHBondContact CA-O 3.35Å; Y81-A100 HydrophobicContact CD1-CB 3.81Å; Y81-A100 HydrophobicContact CE1-CB 3.62Å; Y81-V172 HydrophobicContact CE1-CG2 3.81Å
82	Y	98.8	Very high	98.7	Very high	15 Å²	15	29 Å²	29	6%	0.059	16%	0.157	C	C	.	.			trans	-76.2	74.2	162.5	-178.9	-121.4	0	0	0	110.2	P84 L85 S99 M422 P423 Y426	Y82-P84 VanDerWaalsContact C-N 3.29Å; Y82-P84 HydrophobicContact CD2-CG 4.2Å; Y82-P84 HydrophobicContact CE1-CB 4.33Å; Y82-P84 HydrophobicContact CE2-CB 3.93Å; Y82-P84 HydrophobicContact CE2-CG 3.77Å; Y82-P84 VanDerWaalsContact O-N 3.15Å; Y82-L85 HydrophobicContact CD1-CB 3.86Å; Y82-L85 HydrophobicContact CD1-CD1 4.46Å; Y82-L85 HydrophobicContact CE1-CB 4.24Å; Y82-L85 HydrophobicContact CE1-CD1 4.34Å; Y82-L85 WeakPolarHBondContact O-CB 3.32Å; Y82-L85 PolarHBondContact O-N 3.23Å; Y82-S99 PolarHBondContact N-O 3.26Å; Y82-M422 WeakPolarHBondContact OH-CB 3.18Å; Y82-P423 HydrophobicContact CD1-CB 4.2Å; Y82-P423 HydrophobicContact CD1-CG 4.39Å; Y82-P423 HydrophobicContact CE1-CB 4.01Å; Y82-P423 HydrophobicContact CE1-CG 3.81Å; Y82-Y426 AromaticContact CD2-CD1 3.54Å; Y82-Y426 HydrophobicContact CD2-CD1 3.54Å; Y82-Y426 AromaticContact CD2-CD2 3.31Å; Y82-Y426 HydrophobicContact CD2-CD2 3.31Å; Y82-Y426 AromaticContact CD2-CE1 3.82Å; Y82-Y426 HydrophobicContact CD2-CE1 3.82Å; Y82-Y426 AromaticContact CD2-CE2 3.57Å; Y82-Y426 HydrophobicContact CD2-CE2 3.57Å; Y82-Y426 AromaticContact CD2-CG 3.28Å; Y82-Y426 HydrophobicContact CD2-CG 3.28Å; Y82-Y426 AromaticContact CD2-CZ 3.83Å; Y82-Y426 HydrophobicContact CE2-CD1 4.34Å; Y82-Y426 AromaticContact CE2-CD2 3.5Å; Y82-Y426 HydrophobicContact CE2-CD2 3.5Å; Y82-Y426 VanDerWaalsContact CE2-CD2 3.5Å; Y82-Y426 HydrophobicContact CE2-CE2 4.08Å; Y82-Y426 AromaticContact CE2-CG 3.64Å; Y82-Y426 HydrophobicContact CE2-CG 3.64Å; Y82-Y426 AromaticContact CG-CD1 3.95Å; Y82-Y426 HydrophobicContact CG-CD1 3.95Å; Y82-Y426 HydrophobicContact CG-CD2 4.46Å; Y82-Y426 HydrophobicContact CG-CE1 4.23Å; Y82-Y426 HydrophobicContact CG-CG 4.09Å
83	Q	98.8	Very high	98.7	Very high	71 Å²	71	30.7 Å²	30.7	33%	0.332	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-51.6	-32.5	-176.7	-62	173.9	44.9	0	0	114.9	Y81 L85 W86	Y81-Q83 PolarHBondContact O-N 3.42Å; Q83-L85 PolarHBondContact O-N 2.9Å; Q83-W86 HydrophobicContact CB-CD2 4.27Å; Q83-W86 HydrophobicContact CB-CE3 4.1Å; Q83-W86 HydrophobicContact CB-CZ3 4.34Å; Q83-W86 HydrophobicContact CG-CD2 4.32Å; Q83-W86 HydrophobicContact CG-CE3 4.03Å; Q83-W86 HydrophobicContact CG-CH2 3.83Å; Q83-W86 HydrophobicContact CG-CZ2 4.1Å; Q83-W86 HydrophobicContact CG-CZ3 3.77Å; Q83-W86 VanDerWaalsContact O-CB 3.27Å; Q83-W86 WeakPolarHBondContact O-CB 3.43Å; Q83-W86 PolarHBondContact O-N 2.79Å
84	P	98.7	Very high	98.7	Very high	46 Å²	46	33.6 Å²	33.6	30%	0.299	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-63.1	-4.9	173.6	-24.1	35	0	0	0	115.8	Y82 A346 K418	Y82-P84 VanDerWaalsContact C-N 3.29Å; Y82-P84 HydrophobicContact CD2-CG 4.2Å; Y82-P84 HydrophobicContact CE1-CB 4.33Å; Y82-P84 HydrophobicContact CE2-CB 3.93Å; Y82-P84 HydrophobicContact CE2-CG 3.77Å; Y82-P84 VanDerWaalsContact O-N 3.15Å; P84-A346 HydrophobicContact CG-CB 4.16Å; P84-K418 PolarHBondContact O-NZ 2.91Å
85	L	98.5	Very high	98.7	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-80.7	-26	167.1	-153.4	68.8	0	0	0	112.6	Y82 Q83 T87 L88 V89 K94 A98 P423	Y82-L85 HydrophobicContact CD1-CB 3.86Å; Y82-L85 HydrophobicContact CD1-CD1 4.46Å; Y82-L85 HydrophobicContact CE1-CB 4.24Å; Y82-L85 HydrophobicContact CE1-CD1 4.34Å; Y82-L85 WeakPolarHBondContact O-CB 3.32Å; Y82-L85 PolarHBondContact O-N 3.23Å; Q83-L85 PolarHBondContact O-N 2.9Å; L85-T87 PolarHBondContact O-N 3.16Å; L85-T87 VanDerWaalsContact O-N 3.16Å; L85-L88 WeakPolarHBondContact O-CA 3.35Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 PolarHBondContact O-N 2.82Å; L85-V89 HydrophobicContact CG-CG2 4.47Å; L85-V89 PolarHBondContact O-N 3.08Å; L85-V89 VanDerWaalsContact O-N 3.14Å; L85-K94 HydrophobicContact CD1-CB 4.31Å; L85-K94 HydrophobicContact CD1-CD 4.47Å; L85-K94 HydrophobicContact CD1-CG 3.92Å; L85-K94 HydrophobicContact CD2-CB 4.19Å; L85-K94 HydrophobicContact CG-CB 4.04Å; L85-K94 HydrophobicContact CG-CG 4.22Å; L85-A98 HydrophobicContact CD2-CB 4.09Å; L85-P423 HydrophobicContact CD1-CG 4.14Å
86	W	98.9	Very high	98.7	Very high	15 Å²	15	40 Å²	40	6%	0.057	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-28.3	-171.7	-66.8	-9.2	0	0	0	113.9	Y81 Q83 L88 V89 G90 S99 N169 Y170 V172 V175	Y81-W86 AromaticContact CD1-CZ2 3.69Å; Y81-W86 HydrophobicContact CD1-CZ2 3.69Å; Y81-W86 HydrophobicContact CD2-CZ2 4.27Å; Y81-W86 HydrophobicContact CE1-CZ2 4.34Å; Y81-W86 HydrophobicContact CG-CH2 4.43Å; Y81-W86 AromaticContact CG-CZ2 3.64Å; Y81-W86 HydrophobicContact CG-CZ2 3.64Å; Q83-W86 HydrophobicContact CB-CD2 4.27Å; Q83-W86 HydrophobicContact CB-CE3 4.1Å; Q83-W86 HydrophobicContact CB-CZ3 4.34Å; Q83-W86 HydrophobicContact CG-CD2 4.32Å; Q83-W86 HydrophobicContact CG-CE3 4.03Å; Q83-W86 HydrophobicContact CG-CH2 3.83Å; Q83-W86 HydrophobicContact CG-CZ2 4.1Å; Q83-W86 HydrophobicContact CG-CZ3 3.77Å; Q83-W86 VanDerWaalsContact O-CB 3.27Å; Q83-W86 WeakPolarHBondContact O-CB 3.43Å; Q83-W86 PolarHBondContact O-N 2.79Å; W86-L88 VanDerWaalsContact C-N 3.25Å; W86-L88 PolarHBondContact O-N 2.82Å; W86-V89 PolarHBondContact O-N 3.21Å; W86-G90 PolarHBondContact O-N 3.37Å; W86-S99 PolarHBondContact NE1-OG 3.06Å; W86-N169 WeakPolarHBondContact CB-O 3.31Å; W86-Y170 WeakPolarHBondContact CZ3-O 3.45Å; W86-V172 HydrophobicContact CH2-CB 4.11Å; W86-V172 HydrophobicContact CZ2-CB 4Å; W86-V175 HydrophobicContact CB-CG2 3.9Å; W86-V175 HydrophobicContact CG-CG2 4.37Å; W86-V175 WeakPolarHBondContact O-CG2 3.48Å
87	T	98.8	Very high	98.7	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-37.5	168.2	-51.8	0	0	0	0	113.2	L85 K207 L211	L85-T87 PolarHBondContact O-N 3.16Å; L85-T87 VanDerWaalsContact O-N 3.16Å; T87-K207 HydrophobicContact CG2-CB 3.51Å; T87-K207 HydrophobicContact CG2-CD 4.08Å; T87-K207 HydrophobicContact CG2-CG 4.4Å; T87-L211 HydrophobicContact CG2-CD1 3.98Å
88	L	98.8	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-86.3	-24.5	177.5	-61.8	179.9	0	0	0	112.2	L85 W86 A91 G92 A93 K94 L211 V382 Y415 K418 A419	L85-L88 WeakPolarHBondContact O-CA 3.35Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 PolarHBondContact O-N 2.82Å; W86-L88 VanDerWaalsContact C-N 3.25Å; W86-L88 PolarHBondContact O-N 2.82Å; L88-A91 CarbonylContact O-C 3.59Å; L88-A91 PolarHBondContact O-N 2.65Å; L88-G92 PolarHBondContact O-N 2.94Å; L88-A93 HydrophobicContact CB-CB 4.22Å; L88-A93 HydrophobicContact CD2-CB 4.42Å; L88-A93 PolarHBondContact O-N 2.93Å; L88-K94 HydrophobicContact CB-CB 4.05Å; L88-K94 HydrophobicContact CB-CG 3.72Å; L88-K94 HydrophobicContact CD1-CG 3.86Å; L88-K94 HydrophobicContact CG-CG 4.46Å; L88-K94 PolarHBondContact O-N 3.06Å; L88-L211 HydrophobicContact CD2-CD1 4.21Å; L88-V382 HydrophobicContact CD2-CG1 4.26Å; L88-V382 HydrophobicContact CD2-CG2 4.39Å; L88-Y415 HydrophobicContact CD2-CE2 4.24Å; L88-K418 HydrophobicContact CD1-CD 4.09Å; L88-A419 HydrophobicContact CD1-CB 3.88Å
89	V	98.9	Very high	98.6	Very high	6 Å²	6	34 Å²	34	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-69.9	-48.1	174.3	-179.3	0	0	0	0	110.9	L85 W86 A91 G92 K94 L96 V175	L85-V89 HydrophobicContact CG-CG2 4.47Å; L85-V89 PolarHBondContact O-N 3.08Å; L85-V89 VanDerWaalsContact O-N 3.14Å; W86-V89 PolarHBondContact O-N 3.21Å; V89-A91 PolarHBondContact O-N 3.02Å; V89-G92 PolarHBondContact O-N 3.21Å; V89-K94 WeakPolarHBondContact CA-O 3.45Å; V89-K94 HydrophobicContact CG2-CB 4.37Å; V89-L96 HydrophobicContact CG1-CB 3.84Å; V89-L96 HydrophobicContact CG1-CD1 4.24Å; V89-V175 HydrophobicContact CB-CG2 3.84Å; V89-V175 HydrophobicContact CG1-CG1 4.43Å; V89-V175 HydrophobicContact CG1-CG2 3.91Å
90	G	98.8	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.6	175	0	0	0	0	0	114.8	W86 N169 V175 W179	W86-G90 PolarHBondContact O-N 3.37Å; G90-N169 WeakPolarHBondContact CA-OD1 3.39Å; G90-V175 WeakPolarHBondContact CA-O 3.4Å; G90-W179 WeakPolarHBondContact O-CA 3.02Å; G90-W179 PolarHBondContact O-N 2.62Å
91	A	98.8	Very high	98.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	10.2	173.1	0	0	0	0	0	113	L88 V89 A93 W179 I208 L211 Y385	L88-A91 CarbonylContact O-C 3.59Å; L88-A91 PolarHBondContact O-N 2.65Å; V89-A91 PolarHBondContact O-N 3.02Å; A91-A93 PolarHBondContact O-N 2.96Å; A91-W179 VanDerWaalsContact C-CE3 3.41Å; A91-I208 HydrophobicContact CB-CD1 3.94Å; A91-L211 HydrophobicContact CB-CB 3.89Å; A91-L211 HydrophobicContact CB-CD1 3.81Å; A91-L211 HydrophobicContact CB-CD2 4.36Å; A91-L211 HydrophobicContact CB-CG 4.24Å; A91-Y385 HydrophobicContact CB-CE1 4.16Å; A91-Y385 WeakPolarHBondContact O-CE1 3.35Å; A91-Y385 PolarHBondContact O-OH 3.05Å
92	G	98.6	Very high	98.6	Very high	34 Å²	34	38.6 Å²	38.6	35%	0.351	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	3.8	178	0	0	0	0	0	116.1	L88 V89 W179	L88-G92 PolarHBondContact O-N 2.94Å; V89-G92 PolarHBondContact O-N 3.21Å; G92-W179 VanDerWaalsContact CA-CD2 3.42Å; G92-W179 VanDerWaalsContact CA-CE2 3.47Å
93	A	98.4	Very high	98.6	Very high	35 Å²	35	38 Å²	38	29%	0.289	23%	0.229	S	C	.	.	S	Bend	trans	-86.7	-13.7	-175.2	0	0	0	0	0	114	L88 A91 Y385	L88-A93 HydrophobicContact CB-CB 4.22Å; L88-A93 HydrophobicContact CD2-CB 4.42Å; L88-A93 PolarHBondContact O-N 2.93Å; A91-A93 PolarHBondContact O-N 2.96Å; A93-Y385 HydrophobicContact CB-CD1 4.07Å; A93-Y385 HydrophobicContact CB-CE1 4.1Å
94	K	98.6	Very high	98.6	Very high	61 Å²	61	40.4 Å²	40.4	27%	0.265	24%	0.241	S	C	.	.	S	Bend	trans	-145.5	152.5	174.9	-64.8	-68.4	178.9	176.7	0	109.8	L85 L88 V89 A419 D420	L85-K94 HydrophobicContact CD1-CB 4.31Å; L85-K94 HydrophobicContact CD1-CD 4.47Å; L85-K94 HydrophobicContact CD1-CG 3.92Å; L85-K94 HydrophobicContact CD2-CB 4.19Å; L85-K94 HydrophobicContact CG-CB 4.04Å; L85-K94 HydrophobicContact CG-CG 4.22Å; L88-K94 HydrophobicContact CB-CB 4.05Å; L88-K94 HydrophobicContact CB-CG 3.72Å; L88-K94 HydrophobicContact CD1-CG 3.86Å; L88-K94 HydrophobicContact CG-CG 4.46Å; L88-K94 PolarHBondContact O-N 3.06Å; V89-K94 WeakPolarHBondContact CA-O 3.45Å; V89-K94 HydrophobicContact CG2-CB 4.37Å; K94-A419 VanDerWaalsContact CE-O 3.28Å; K94-A419 WeakPolarHBondContact CE-O 3.45Å; K94-A419 PolarHBondContact NZ-O 3.36Å; K94-D420 IonicContact NZ-OD1 2.64Å; K94-D420 PolarHBondContact NZ-OD1 3Å
95	Q	98.3	Very high	98.6	Very high	143 Å²	143	41.6 Å²	41.6	67%	0.668	25%	0.25	S	S	*	.			trans	-82.4	144.3	177.8	-66	-62.3	-17.4	0	0	112.1	A97 A98	Q95-A97 VanDerWaalsContact C-N 3.31Å; Q95-A97 PolarHBondContact O-N 3.28Å; Q95-A98 WeakPolarHBondContact O-CB 3.38Å; Q95-A98 PolarHBondContact O-N 3.27Å; Q95-A98 VanDerWaalsContact O-N 3.16Å
96	L	98.5	Very high	98.6	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.12	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.7	-41.8	179.4	-178	57	0	0	0	112	V89 A98 S99 V172 V175 E176	V89-L96 HydrophobicContact CG1-CB 3.84Å; V89-L96 HydrophobicContact CG1-CD1 4.24Å; L96-A98 PolarHBondContact O-N 3.44Å; L96-S99 WeakPolarHBondContact O-CB 3.36Å; L96-S99 PolarHBondContact O-N 2.77Å; L96-S99 PolarHBondContact O-OG 2.93Å; L96-V172 HydrophobicContact CD1-CG2 4.34Å; L96-V172 HydrophobicContact CD2-CG2 3.98Å; L96-V175 HydrophobicContact CD1-CG1 3.73Å; L96-V175 HydrophobicContact CD2-CG1 4.19Å; L96-E176 HydrophobicContact CB-CG 4.4Å; L96-E176 WeakPolarHBondContact CB-OE1 3.49Å; L96-E176 HydrophobicContact CD2-CG 4.02Å; L96-E176 WeakPolarHBondContact CD2-OE1 3.37Å
97	A	98.2	Very high	98.6	Very high	81 Å²	81	42.5 Å²	42.5	67%	0.669	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-56.3	-34.2	177.8	0	0	0	0	0	113.1	Q95 S99 A100	Q95-A97 VanDerWaalsContact C-N 3.31Å; Q95-A97 PolarHBondContact O-N 3.28Å; A97-S99 PolarHBondContact O-N 2.86Å; A97-A100 PolarHBondContact O-N 3.07Å
98	A	97.8	Very high	98.6	Very high	59 Å²	59	42.8 Å²	42.8	49%	0.488	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-69.5	-13	177.6	0	0	0	0	0	113.7	L85 Q95 L96	L85-A98 HydrophobicContact CD2-CB 4.09Å; Q95-A98 WeakPolarHBondContact O-CB 3.38Å; Q95-A98 PolarHBondContact O-N 3.27Å; Q95-A98 VanDerWaalsContact O-N 3.16Å; L96-A98 PolarHBondContact O-N 3.44Å
99	S	98.4	Very high	98.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-85.4	-11.8	170.6	77.4	0	0	0	0	113.4	Y81 Y82 W86 L96 A97 W427	Y81-S99 CarbonylContact C-O 3.52Å; Y81-S99 VanDerWaalsContact CA-O 3.29Å; Y81-S99 WeakPolarHBondContact CA-O 3.35Å; Y82-S99 PolarHBondContact N-O 3.26Å; W86-S99 PolarHBondContact NE1-OG 3.06Å; L96-S99 WeakPolarHBondContact O-CB 3.36Å; L96-S99 PolarHBondContact O-N 2.77Å; L96-S99 PolarHBondContact O-OG 2.93Å; A97-S99 PolarHBondContact O-N 2.86Å; S99-W427 WeakPolarHBondContact O-CZ2 3.47Å
100	A	98.5	Very high	98.5	Very high	30 Å²	30	53 Å²	53	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.7	-166.6	0	0	0	0	0	112.8	T79 Y81 A97	T79-A100 HydrophobicContact CG2-CB 3.87Å; Y81-A100 HydrophobicContact CD1-CB 3.81Å; Y81-A100 HydrophobicContact CE1-CB 3.62Å; A97-A100 PolarHBondContact O-N 3.07Å
101	R	98.8	Very high	98.5	Very high	92 Å²	92	53.5 Å²	53.5	35%	0.347	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.6	162.9	-68.1	-168.7	-177.5	-160.6	-3.1	110.2	T79 H80 T103 V106 W427	T79-R101 WeakPolarHBondContact CA-O 3.35Å; T79-R101 WeakPolarHBondContact CG2-O 3.4Å; H80-R101 PolarHBondContact N-O 3.12Å; H80-R101 PolarHBondContact O-N 2.89Å; R101-T103 PolarHBondContact O-N 3.46Å; R101-V106 HydrophobicContact CB-CG1 4.05Å; R101-W427 HydrophobicContact CB-CH2 4.02Å; R101-W427 HydrophobicContact CB-CZ3 4.03Å; R101-W427 HydrophobicContact CG-CD2 4.38Å; R101-W427 HydrophobicContact CG-CE3 4.15Å; R101-W427 HydrophobicContact CG-CH2 3.74Å; R101-W427 HydrophobicContact CG-CZ2 3.97Å; R101-W427 HydrophobicContact CG-CZ3 3.83Å
102	P	98.8	Very high	98.5	Very high	84 Å²	84	56 Å²	56	55%	0.545	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	134.2	168.3	-22.8	33.1	0	0	0	110.4	K78 E104 S105	K78-P102 WeakPolarHBondContact O-CA 3.35Å; P102-E104 PolarHBondContact O-N 2.76Å; P102-E104 VanDerWaalsContact O-N 3.17Å; P102-S105 WeakPolarHBondContact O-CB 3.39Å; P102-S105 PolarHBondContact O-N 3.01Å; P102-S105 PolarHBondContact O-OG 2.75Å
103	T	98.8	Very high	98.5	Very high	1 Å²	1	56 Å²	56	1%	0.006	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-55.6	-36.3	-178	-57.7	0	0	0	0	111.8	E75 S77 K78 T79 H80 R101 S105 V106 M107 W113	E75-T103 HydrophobicContact CG-CG2 4.07Å; S77-T103 WeakPolarHBondContact O-CB 3.37Å; S77-T103 PolarHBondContact O-OG1 3.26Å; K78-T103 PolarHBondContact O-N 3.36Å; K78-T103 PolarHBondContact O-OG1 3.45Å; T79-T103 PolarHBondContact N-OG1 3.35Å; H80-T103 PolarHBondContact N-OG1 3.06Å; R101-T103 PolarHBondContact O-N 3.46Å; T103-S105 VanDerWaalsContact C-N 3.3Å; T103-S105 PolarHBondContact O-N 2.91Å; T103-V106 VanDerWaalsContact O-CG2 3.29Å; T103-V106 WeakPolarHBondContact O-CG2 3.11Å; T103-V106 PolarHBondContact O-N 3.33Å; T103-M107 HydrophobicContact CG2-CE 4.25Å; T103-M107 PolarHBondContact O-N 2.64Å; T103-W113 HydrophobicContact CG2-CD2 4.14Å; T103-W113 HydrophobicContact CG2-CE3 4.47Å; T103-W113 HydrophobicContact CG2-CH2 4.24Å; T103-W113 HydrophobicContact CG2-CZ2 3.84Å
104	E	98.6	Very high	98.4	Very high	123 Å²	123	54.9 Å²	54.9	58%	0.575	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-57.6	-39.6	174.9	-144.4	154.9	119.2	0	0	113.1	P102 V106 M107 W113 K115	P102-E104 PolarHBondContact O-N 2.76Å; P102-E104 VanDerWaalsContact O-N 3.17Å; E104-V106 PolarHBondContact O-N 3.03Å; E104-M107 PolarHBondContact O-N 2.81Å; E104-W113 HydrophobicContact CB-CE3 4.02Å; E104-W113 HydrophobicContact CB-CZ3 3.75Å; E104-W113 HydrophobicContact CG-CE3 4.02Å; E104-W113 HydrophobicContact CG-CZ3 4.1Å; E104-W113 VanDerWaalsContact OE2-CZ3 3.31Å; E104-W113 WeakPolarHBondContact OE2-CZ3 3.45Å; E104-K115 IonicContact OE2-NZ 2.82Å; E104-K115 PolarHBondContact OE2-NZ 2.97Å
105	S	98.6	Very high	98.4	Very high	71 Å²	71	57.7 Å²	57.7	50%	0.497	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-74.3	-9.2	-177.3	73.6	0	0	0	0	114.4	P102 T103	P102-S105 WeakPolarHBondContact O-CB 3.39Å; P102-S105 PolarHBondContact O-N 3.01Å; P102-S105 PolarHBondContact O-OG 2.75Å; T103-S105 VanDerWaalsContact C-N 3.3Å; T103-S105 PolarHBondContact O-N 2.91Å
106	V	98.8	Very high	98.4	Very high	17 Å²	17	51.3 Å²	51.3	10%	0.103	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-116.6	-5.9	174.6	-60	0	0	0	0	113.1	I56 H80 R101 T103 E104 W427 L431	I56-V106 VanDerWaalsContact CG2-O 3.23Å; I56-V106 WeakPolarHBondContact CG2-O 3.35Å; H80-V106 HydrophobicContact CB-CG2 3.75Å; R101-V106 HydrophobicContact CB-CG1 4.05Å; T103-V106 VanDerWaalsContact O-CG2 3.29Å; T103-V106 WeakPolarHBondContact O-CG2 3.11Å; T103-V106 PolarHBondContact O-N 3.33Å; E104-V106 PolarHBondContact O-N 3.03Å; V106-W427 HydrophobicContact CG1-CE3 4.01Å; V106-W427 HydrophobicContact CG1-CZ3 3.89Å; V106-L431 HydrophobicContact CB-CD1 3.91Å; V106-L431 HydrophobicContact CG1-CD1 3.96Å; V106-L431 HydrophobicContact CG2-CD1 4.42Å
107	M	98.7	Very high	98.4	Very high	21 Å²	21	56.6 Å²	56.6	10%	0.103	31%	0.314	C	S	.	.	S	Bend	trans	-65.1	132.5	172.7	-166.3	57.8	62.7	0	0	109.6	I56 V73 T103 E104 Q109 V111 W113	I56-M107 HydrophobicContact CD1-CE 3.6Å; I56-M107 HydrophobicContact CD1-SD 3.84Å; V73-M107 HydrophobicContact CB-CE 3.78Å; V73-M107 HydrophobicContact CB-SD 3.93Å; V73-M107 HydrophobicContact CG1-CE 4.05Å; V73-M107 HydrophobicContact CG2-CE 4.06Å; V73-M107 HydrophobicContact CG2-SD 3.55Å; V73-M107 VanDerWaalsContact CG2-SD 3.55Å; T103-M107 HydrophobicContact CG2-CE 4.25Å; T103-M107 PolarHBondContact O-N 2.64Å; E104-M107 PolarHBondContact O-N 2.81Å; M107-Q109 PolarHBondContact O-N 2.81Å; M107-Q109 VanDerWaalsContact O-N 3.12Å; M107-V111 HydrophobicContact SD-CG1 4.23Å; M107-W113 HydrophobicContact CE-CB 3.82Å; M107-W113 HydrophobicContact CE-CD2 4.44Å; M107-W113 HydrophobicContact CE-CG 3.76Å; M107-W113 HydrophobicContact CG-CB 4.17Å; M107-W113 HydrophobicContact SD-CB 4.47Å
108	P	98.6	Very high	98.4	Very high	16 Å²	16	53 Å²	53	10%	0.104	28%	0.284	C	S	.	.			trans	-65.8	117.6	-178.9	-18.5	31.6	0	0	0	110.3	A60 K63 G110 V111	A60-P108 HydrophobicContact CB-CB 4.27Å; A60-P108 HydrophobicContact CB-CG 3.86Å; K63-P108 HydrophobicContact CD-CB 4.11Å; P108-G110 PolarHBondContact O-N 2.74Å; P108-V111 HydrophobicContact CB-CB 4.42Å; P108-V111 HydrophobicContact CB-CG2 3.88Å; P108-V111 HydrophobicContact CG-CG2 4.37Å; P108-V111 WeakPolarHBondContact O-CB 3.3Å; P108-V111 WeakPolarHBondContact O-CG2 3.28Å; P108-V111 PolarHBondContact O-N 3.04Å
109	Q	97.9	Very high	98.4	Very high	168 Å²	168	53.8 Å²	53.8	79%	0.785	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.2	121.4	-174.5	-176.7	-167.8	13.7	0	0	113.8	K63 M107 V111	K63-Q109 WeakPolarHBondContact CE-O 3.35Å; K63-Q109 PolarHBondContact NZ-O 2.85Å; M107-Q109 PolarHBondContact O-N 2.81Å; M107-Q109 VanDerWaalsContact O-N 3.12Å; Q109-V111 VanDerWaalsContact C-N 3.33Å
110	G	97.8	Very high	98.3	Very high	53 Å²	53	54.6 Å²	54.6	55%	0.546	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-2.1	179.5	0	0	0	0	0	115.8	A68 G69 P108	A68-G110 CarbonylContact C-O 3.56Å; A68-G110 VanDerWaalsContact CB-C 3.47Å; A68-G110 WeakPolarHBondContact CB-O 3.28Å; G69-G110 PolarHBondContact N-O 2.74Å; P108-G110 PolarHBondContact O-N 2.74Å
111	V	98.6	Very high	98.4	Very high	10 Å²	10	53.8 Å²	53.8	6%	0.061	28%	0.283	C	S	.	.	S	Bend	trans	-78	140.2	160.1	174.6	0	0	0	0	107.9	K63 A68 V71 V73 M107 P108 Q109	K63-V111 HydrophobicContact CB-CG2 3.94Å; K63-V111 HydrophobicContact CD-CG2 4.19Å; K63-V111 HydrophobicContact CG-CG2 4.41Å; A68-V111 HydrophobicContact CB-CG2 4.42Å; V71-V111 HydrophobicContact CB-CG1 3.98Å; V71-V111 HydrophobicContact CB-CG2 4.12Å; V71-V111 HydrophobicContact CG1-CG1 3.84Å; V71-V111 HydrophobicContact CG1-CG2 4.44Å; V71-V111 WeakPolarHBondContact O-CG1 3.18Å; V73-V111 HydrophobicContact CG2-CG1 3.87Å; M107-V111 HydrophobicContact SD-CG1 4.23Å; P108-V111 HydrophobicContact CB-CB 4.42Å; P108-V111 HydrophobicContact CB-CG2 3.88Å; P108-V111 HydrophobicContact CG-CG2 4.37Å; P108-V111 WeakPolarHBondContact O-CB 3.3Å; P108-V111 WeakPolarHBondContact O-CG2 3.28Å; P108-V111 PolarHBondContact O-N 3.04Å; Q109-V111 VanDerWaalsContact C-N 3.33Å
112	E	98.4	Very high	98.3	Very high	54 Å²	54	50.7 Å²	50.7	25%	0.252	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.2	-176.7	-158.8	179.1	143.2	0	0	112.1	A40 Y44 V71 A72 V73 I114	A40-E112 WeakPolarHBondContact CA-OE1 3.27Å; A40-E112 VanDerWaalsContact CB-OE1 3.22Å; A40-E112 WeakPolarHBondContact CB-OE1 3.3Å; Y44-E112 HydrophobicContact CE1-CB 4.31Å; Y44-E112 WeakPolarHBondContact CE1-OE2 3.28Å; Y44-E112 PolarHBondContact OH-OE1 2.81Å; Y44-E112 VanDerWaalsContact OH-OE1 3.07Å; Y44-E112 PolarHBondContact OH-OE2 3.21Å; V71-E112 PolarHBondContact O-N 2.79Å; V71-E112 VanDerWaalsContact O-N 3.15Å; A72-E112 CarbonylContact C-O 3.57Å; A72-E112 WeakPolarHBondContact CA-O 3.29Å; A72-E112 HydrophobicContact CB-CB 4.16Å; V73-E112 PolarHBondContact N-O 2.81Å; E112-I114 HydrophobicContact CG-CG1 4.48Å
113	W	98.6	Very high	98.3	Very high	33 Å²	33	46.9 Å²	46.9	13%	0.125	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	104.1	172	179.6	18.8	0	0	0	110.4	E75 S77 T103 E104 M107 K115	E75-W113 PolarHBondContact O-NE1 2.87Å; S77-W113 VanDerWaalsContact O-CZ2 3.32Å; S77-W113 WeakPolarHBondContact O-CZ2 3.42Å; T103-W113 HydrophobicContact CG2-CD2 4.14Å; T103-W113 HydrophobicContact CG2-CE3 4.47Å; T103-W113 HydrophobicContact CG2-CH2 4.24Å; T103-W113 HydrophobicContact CG2-CZ2 3.84Å; E104-W113 HydrophobicContact CB-CE3 4.02Å; E104-W113 HydrophobicContact CB-CZ3 3.75Å; E104-W113 HydrophobicContact CG-CE3 4.02Å; E104-W113 HydrophobicContact CG-CZ3 4.1Å; E104-W113 VanDerWaalsContact OE2-CZ3 3.31Å; E104-W113 WeakPolarHBondContact OE2-CZ3 3.45Å; M107-W113 HydrophobicContact CE-CB 3.82Å; M107-W113 HydrophobicContact CE-CD2 4.44Å; M107-W113 HydrophobicContact CE-CG 3.76Å; M107-W113 HydrophobicContact CG-CB 4.17Å; M107-W113 HydrophobicContact SD-CB 4.47Å; W113-K115 HydrophobicContact CD2-CD 3.99Å; W113-K115 HydrophobicContact CD2-CG 3.8Å; W113-K115 HydrophobicContact CE3-CD 3.97Å; W113-K115 HydrophobicContact CE3-CG 4.29Å; W113-K115 HydrophobicContact CG-CG 4.07Å; W113-K115 HydrophobicContact CH2-CD 3.84Å; W113-K115 HydrophobicContact CH2-CG 4.45Å; W113-K115 HydrophobicContact CZ2-CB 4.45Å; W113-K115 HydrophobicContact CZ2-CD 3.89Å; W113-K115 HydrophobicContact CZ2-CG 4Å; W113-K115 HydrophobicContact CZ3-CD 3.9Å; W113-K115 VanDerWaalsContact CZ3-CE 3.45Å; W113-K115 WeakPolarHBondContact O-CG 3.5Å; W113-K115 PolarHBondContact O-N 3.23Å
114	I	98.3	Very high	98.3	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.062	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	103.8	175.8	-54.1	-174.6	0	0	0	107.4	A40 Y44 A72 V73 V74 E75 E112 S116 L130 I136	A40-I114 HydrophobicContact CB-CD1 3.99Å; A40-I114 HydrophobicContact CB-CG1 4.18Å; Y44-I114 HydrophobicContact CE2-CD1 3.82Å; A72-I114 HydrophobicContact CB-CD1 3.82Å; A72-I114 HydrophobicContact CB-CG1 4.25Å; V73-I114 PolarHBondContact O-N 2.85Å; V74-I114 HydrophobicContact CG2-CB 4.33Å; E75-I114 PolarHBondContact N-O 3.38Å; E112-I114 HydrophobicContact CG-CG1 4.48Å; I114-S116 PolarHBondContact O-N 3.33Å; I114-L130 HydrophobicContact CG2-CD1 3.79Å; I114-I136 HydrophobicContact CD1-CD1 3.41Å; I114-I136 VanDerWaalsContact CD1-CD1 3.41Å; I114-I136 HydrophobicContact CG2-CD1 4.35Å
115	K	97.8	Very high	98.3	Very high	121 Å²	121	51.8 Å²	51.8	53%	0.526	27%	0.273	S	S	.	.			trans	-81.1	61	-169.2	-45.6	-160.7	-176.1	-166	0	111.9	E75 E104 W113	E75-K115 WeakPolarHBondContact O-CA 3.47Å; E104-K115 IonicContact OE2-NZ 2.82Å; E104-K115 PolarHBondContact OE2-NZ 2.97Å; W113-K115 HydrophobicContact CD2-CD 3.99Å; W113-K115 HydrophobicContact CD2-CG 3.8Å; W113-K115 HydrophobicContact CE3-CD 3.97Å; W113-K115 HydrophobicContact CE3-CG 4.29Å; W113-K115 HydrophobicContact CG-CG 4.07Å; W113-K115 HydrophobicContact CH2-CD 3.84Å; W113-K115 HydrophobicContact CH2-CG 4.45Å; W113-K115 HydrophobicContact CZ2-CB 4.45Å; W113-K115 HydrophobicContact CZ2-CD 3.89Å; W113-K115 HydrophobicContact CZ2-CG 4Å; W113-K115 HydrophobicContact CZ3-CD 3.9Å; W113-K115 VanDerWaalsContact CZ3-CE 3.45Å; W113-K115 WeakPolarHBondContact O-CG 3.5Å; W113-K115 PolarHBondContact O-N 3.23Å
116	S	97.7	Very high	98.3	Very high	8 Å²	8	51.3 Å²	51.3	6%	0.056	26%	0.264	C	S	.	.	S	Bend	trans	-146.2	155.3	-171	-174.7	0	0	0	0	110.6	V74 E75 P76 I114 E131	V74-S116 WeakPolarHBondContact CG1-O 3.27Å; E75-S116 CarbonylContact C-O 3.59Å; E75-S116 PolarHBondContact N-O 3.16Å; P76-S116 WeakPolarHBondContact CD-O 3.15Å; I114-S116 PolarHBondContact O-N 3.33Å; S116-E131 WeakPolarHBondContact CA-OE1 3.46Å
117	R	98.2	Very high	98.3	Very high	134 Å²	134	50.5 Å²	50.5	51%	0.506	26%	0.26	S	S	.	.			trans	-77.5	151.6	160.8	-168.6	-177.9	-59.6	-86.7	-8	110.6	P76 L130 E131	P76-R117 HydrophobicContact CG-CB 4.33Å; R117-L130 WeakPolarHBondContact O-CA 3.48Å; R117-L130 WeakPolarHBondContact O-CD2 3.41Å; R117-E131 HydrophobicContact CB-CB 4.2Å; R117-E131 HydrophobicContact CB-CG 4.17Å; R117-E131 WeakPolarHBondContact CB-OE1 3.45Å; R117-E131 WeakPolarHBondContact CB-OE2 3.46Å; R117-E131 PolarHBondContact N-OE1 3.32Å; R117-E131 IonicContact NE-OE2 2.75Å; R117-E131 PolarHBondContact NE-OE2 2.92Å; R117-E131 PolarHBondContact O-N 3.17Å; R117-E131 VanDerWaalsContact O-N 3.16Å
118	V	98.2	Very high	98.3	Very high	6 Å²	6	49.5 Å²	49.5	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.4	164.7	51.2	0	0	0	0	109.3	L49 V74 L121 V128 W129 L130 L145 V303	L49-V118 HydrophobicContact CD1-CG1 4.48Å; L49-V118 HydrophobicContact CD1-CG2 4.35Å; L49-V118 HydrophobicContact CD2-CB 4.5Å; V74-V118 HydrophobicContact CG1-CB 4.23Å; V118-L121 HydrophobicContact CG2-CD1 4.1Å; V118-V128 HydrophobicContact CG2-CB 4.1Å; V118-W129 CarbonylContact C-O 3.56Å; V118-W129 WeakPolarHBondContact CA-O 3.34Å; V118-W129 WeakPolarHBondContact CG2-O 3.43Å; V118-L130 HydrophobicContact CB-CD2 4.43Å; V118-L145 HydrophobicContact CG1-CD1 4.16Å; V118-L145 HydrophobicContact CG1-CD2 3.93Å; V118-V303 HydrophobicContact CG1-CG1 4.31Å; V118-V303 HydrophobicContact CG2-CG2 4.35Å; V118-V303 WeakPolarHBondContact O-CG2 3.46Å
119	T	98	Very high	98.2	Very high	75 Å²	75	53.8 Å²	53.8	46%	0.46	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-16.9	-175.7	46.9	0	0	0	0	113.6	W129 L130 E131 V303	T119-W129 PolarHBondContact N-O 2.85Å; T119-W129 VanDerWaalsContact OG1-C 3.29Å; T119-W129 PolarHBondContact OG1-O 3.34Å; T119-L130 VanDerWaalsContact OG1-C 3.22Å; T119-L130 PolarHBondContact OG1-N 2.78Å; T119-L130 PolarHBondContact OG1-O 3.16Å; T119-L130 VanDerWaalsContact OG1-O 3.06Å; T119-E131 HydrophobicContact CG2-CB 3.82Å; T119-V303 VanDerWaalsContact C-CG2 3.47Å
120	G	97.9	Very high	98.2	Very high	18 Å²	18	45.8 Å²	45.8	19%	0.186	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	158.3	176.3	0	0	0	0	0	112.8	V128 W129	G120-V128 CarbonylContact O-C 3.39Å; G120-V128 WeakPolarHBondContact O-CA 3.4Å; G120-V128 WeakPolarHBondContact O-CB 3.42Å; G120-W129 PolarHBondContact O-N 2.96Å
121	L	98.7	Very high	98.1	Very high	12 Å²	12	48 Å²	48	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.8	178.2	-65.9	86.2	0	0	0	108.9	L49 V118 P123 V128 L141 I143 V303 L304 V309	L49-L121 HydrophobicContact CD1-CD2 3.72Å; L49-L121 HydrophobicContact CD1-CG 4.26Å; V118-L121 HydrophobicContact CG2-CD1 4.1Å; L121-P123 WeakPolarHBondContact O-CD 3.29Å; L121-V128 HydrophobicContact CG-CG1 4.11Å; L121-L141 HydrophobicContact CD2-CD2 4.05Å; L121-I143 HydrophobicContact CD2-CD1 3.81Å; L121-V303 HydrophobicContact CD1-CG2 3.82Å; L121-L304 HydrophobicContact CD1-CD2 4.34Å; L121-L304 HydrophobicContact CD2-CD2 4.46Å; L121-V309 HydrophobicContact CD2-CG1 4.38Å; L121-V309 HydrophobicContact CD2-CG2 3.9Å
122	D	98.3	Very high	97.6	Very high	28 Å²	28	52.1 Å²	52.1	15%	0.15	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	77.3	178.8	-179.4	-5.7	0	0	0	107.4	K125 N126 C127	D122-K125 CarbonylContact O-C 3.47Å; D122-K125 PolarHBondContact O-N 3.03Å; D122-K125 WeakPolarHBondContact OD1-CB 3.39Å; D122-K125 WeakPolarHBondContact OD1-CG 3.27Å; D122-K125 PolarHBondContact OD1-N 3.04Å; D122-K125 IonicContact OD1-NZ 2.95Å; D122-K125 PolarHBondContact OD1-NZ 3.16Å; D122-K125 WeakPolarHBondContact OD2-CD 3.36Å; D122-K125 WeakPolarHBondContact OD2-CE 3.4Å; D122-K125 IonicContact OD2-NZ 2.59Å; D122-K125 PolarHBondContact OD2-NZ 3.06Å; D122-N126 PolarHBondContact O-N 2.75Å; D122-N126 VanDerWaalsContact O-N 3.08Å; D122-C127 CarbonylContact C-O 3.35Å; D122-C127 PolarHBondContact N-O 2.92Å; D122-C127 PolarHBondContact O-N 2.86Å
123	P	98.4	Very high	97.3	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.019	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-71.9	-29.6	-171.3	30.7	-37.7	0	0	0	112.6	L121 K125 N126 Y138 P308 V309 Y328 V331	L121-P123 WeakPolarHBondContact O-CD 3.29Å; P123-K125 PolarHBondContact O-N 3.02Å; P123-N126 PolarHBondContact O-N 2.93Å; P123-N126 PolarHBondContact O-OD1 2.82Å; P123-Y138 WeakPolarHBondContact CA-OH 3.42Å; P123-P308 HydrophobicContact CG-CB 3.89Å; P123-V309 HydrophobicContact CB-CG1 3.88Å; P123-V309 HydrophobicContact CG-CG1 3.75Å; P123-Y328 HydrophobicContact CB-CD1 3.79Å; P123-Y328 HydrophobicContact CB-CD2 3.97Å; P123-Y328 HydrophobicContact CB-CE1 3.75Å; P123-Y328 HydrophobicContact CB-CE2 3.99Å; P123-Y328 HydrophobicContact CB-CG 3.91Å; P123-Y328 HydrophobicContact CG-CD1 4.12Å; P123-Y328 HydrophobicContact CG-CD2 4.18Å; P123-Y328 HydrophobicContact CG-CE1 3.53Å; P123-Y328 HydrophobicContact CG-CE2 3.66Å; P123-Y328 HydrophobicContact CG-CG 4.41Å; P123-V331 HydrophobicContact CB-CG2 4.45Å
124	D	98.3	Very high	97.1	Very high	98 Å²	98	56.8 Å²	56.8	52%	0.524	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-62.9	-24.9	173.2	-55.2	-83.2	0	0	0	111.5	K327	D124-K327 IonicContact OD1-NZ 2.74Å; D124-K327 PolarHBondContact OD1-NZ 3.4Å; D124-K327 IonicContact OD2-NZ 2.83Å
125	K	98.2	Very high	97	Very high	130 Å²	130	60.2 Å²	60.2	57%	0.565	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-106.5	15.2	169.9	-57	-178.3	-148.2	68.3	0	113.9	D122 P123 C127	D122-K125 CarbonylContact O-C 3.47Å; D122-K125 PolarHBondContact O-N 3.03Å; D122-K125 WeakPolarHBondContact OD1-CB 3.39Å; D122-K125 WeakPolarHBondContact OD1-CG 3.27Å; D122-K125 PolarHBondContact OD1-N 3.04Å; D122-K125 IonicContact OD1-NZ 2.95Å; D122-K125 PolarHBondContact OD1-NZ 3.16Å; D122-K125 WeakPolarHBondContact OD2-CD 3.36Å; D122-K125 WeakPolarHBondContact OD2-CE 3.4Å; D122-K125 IonicContact OD2-NZ 2.59Å; D122-K125 PolarHBondContact OD2-NZ 3.06Å; P123-K125 PolarHBondContact O-N 3.02Å; K125-C127 PolarHBondContact O-N 2.87Å; K125-C127 PolarHBondContact O-SG 2.95Å
126	N	98.8	Very high	97	Very high	60 Å²	60	54.4 Å²	54.4	32%	0.321	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	47.2	177.2	-60.9	-70.1	0	0	0	114.8	D122 P123 S137 Y138 N330	D122-N126 PolarHBondContact O-N 2.75Å; D122-N126 VanDerWaalsContact O-N 3.08Å; P123-N126 PolarHBondContact O-N 2.93Å; P123-N126 PolarHBondContact O-OD1 2.82Å; N126-S137 CarbonylContact O-C 3.56Å; N126-S137 VanDerWaalsContact O-CA 3.31Å; N126-S137 WeakPolarHBondContact O-CA 3.15Å; N126-Y138 VanDerWaalsContact C-CZ 3.49Å; N126-Y138 HydrophobicContact CB-CD2 4.23Å; N126-Y138 HydrophobicContact CB-CE2 3.93Å; N126-Y138 WeakPolarHBondContact O-CD1 3.17Å; N126-Y138 PolarHBondContact O-N 3.18Å; N126-N330 PolarHBondContact OD1-ND2 2.86Å
127	C	98.5	Very high	97.1	Very high	1 Å²	1	56 Å²	56	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	166.3	-175.8	59.1	0	0	0	0	114.6	D122 K125 K135 I136 Y138	D122-C127 CarbonylContact C-O 3.35Å; D122-C127 PolarHBondContact N-O 2.92Å; D122-C127 PolarHBondContact O-N 2.86Å; K125-C127 PolarHBondContact O-N 2.87Å; K125-C127 PolarHBondContact O-SG 2.95Å; C127-K135 HydrophobicContact CB-CG 4.26Å; C127-K135 WeakPolarHBondContact SG-CE 3.45Å; C127-I136 CarbonylContact C-O 3.46Å; C127-I136 WeakPolarHBondContact CA-O 3.3Å; C127-I136 WeakPolarHBondContact CB-O 3.33Å; C127-Y138 VanDerWaalsContact N-CE1 3.32Å
128	V	98.5	Very high	97.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.1	174.6	-53	0	0	0	0	110.8	L47 L49 V118 G120 L121 K135 I136 Y138 L141	L47-V128 HydrophobicContact CD2-CG1 4.28Å; L47-V128 HydrophobicContact CD2-CG2 3.58Å; L49-V128 HydrophobicContact CD1-CG1 4.18Å; L49-V128 HydrophobicContact CD2-CG1 4.28Å; L49-V128 HydrophobicContact CD2-CG2 4.34Å; V118-V128 HydrophobicContact CG2-CB 4.1Å; G120-V128 CarbonylContact O-C 3.39Å; G120-V128 WeakPolarHBondContact O-CA 3.4Å; G120-V128 WeakPolarHBondContact O-CB 3.42Å; L121-V128 HydrophobicContact CG-CG1 4.11Å; V128-K135 WeakPolarHBondContact O-CA 3.21Å; V128-I136 HydrophobicContact CG2-CB 4.22Å; V128-I136 PolarHBondContact N-O 3.26Å; V128-I136 PolarHBondContact O-N 3.39Å; V128-Y138 HydrophobicContact CG1-CE1 4.15Å; V128-L141 HydrophobicContact CG1-CD1 4.25Å; V128-L141 HydrophobicContact CG1-CD2 4.46Å
129	W	98	Very high	97.1	Very high	105 Å²	105	53.7 Å²	53.7	40%	0.398	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	147.4	175.1	-60.5	94.3	0	0	0	110.4	V118 T119 G120 K135	V118-W129 CarbonylContact C-O 3.56Å; V118-W129 WeakPolarHBondContact CA-O 3.34Å; V118-W129 WeakPolarHBondContact CG2-O 3.43Å; T119-W129 PolarHBondContact N-O 2.85Å; T119-W129 VanDerWaalsContact OG1-C 3.29Å; T119-W129 PolarHBondContact OG1-O 3.34Å; G120-W129 PolarHBondContact O-N 2.96Å; W129-K135 HydrophobicContact CD2-CG 4.41Å; W129-K135 HydrophobicContact CE3-CB 3.98Å; W129-K135 HydrophobicContact CE3-CG 4.29Å; W129-K135 HydrophobicContact CH2-CB 4.3Å; W129-K135 HydrophobicContact CH2-CD 3.87Å; W129-K135 HydrophobicContact CH2-CG 4.26Å; W129-K135 HydrophobicContact CZ2-CD 3.98Å; W129-K135 HydrophobicContact CZ2-CG 4.34Å; W129-K135 HydrophobicContact CZ3-CB 3.85Å; W129-K135 HydrophobicContact CZ3-CD 4.28Å; W129-K135 HydrophobicContact CZ3-CG 4.22Å
130	L	97.4	Very high	97.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	166	-179.7	-62.9	-171.9	0	0	0	112	V74 I114 R117 V118 T119 N132 D133 K134 I136	V74-L130 HydrophobicContact CG1-CD2 3.61Å; V74-L130 HydrophobicContact CG2-CD2 4.15Å; I114-L130 HydrophobicContact CG2-CD1 3.79Å; R117-L130 WeakPolarHBondContact O-CA 3.48Å; R117-L130 WeakPolarHBondContact O-CD2 3.41Å; V118-L130 HydrophobicContact CB-CD2 4.43Å; T119-L130 VanDerWaalsContact OG1-C 3.22Å; T119-L130 PolarHBondContact OG1-N 2.78Å; T119-L130 PolarHBondContact OG1-O 3.16Å; T119-L130 VanDerWaalsContact OG1-O 3.06Å; L130-N132 VanDerWaalsContact CB-OD1 3.25Å; L130-N132 WeakPolarHBondContact CB-OD1 3.37Å; L130-N132 PolarHBondContact O-N 2.88Å; L130-N132 VanDerWaalsContact O-N 3.1Å; L130-D133 PolarHBondContact O-N 2.83Å; L130-D133 VanDerWaalsContact O-N 3.12Å; L130-K134 HydrophobicContact CB-CB 4.48Å; L130-K134 WeakPolarHBondContact CB-O 3.48Å; L130-K134 HydrophobicContact CD1-CB 4.3Å; L130-K134 HydrophobicContact CD1-CD 4.49Å; L130-K134 WeakPolarHBondContact CG-O 3.45Å; L130-K134 PolarHBondContact N-O 2.9Å; L130-I136 HydrophobicContact CD1-CD1 3.69Å; L130-I136 HydrophobicContact CD1-CG1 4.24Å; L130-I136 HydrophobicContact CG-CD1 4.43Å
131	E	95	Very high	97.2	Very high	98 Å²	98	50.2 Å²	50.2	46%	0.458	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-0.4	179.4	78.6	-160.2	143.1	0	0	114.8	S116 R117 T119	S116-E131 WeakPolarHBondContact CA-OE1 3.46Å; R117-E131 HydrophobicContact CB-CB 4.2Å; R117-E131 HydrophobicContact CB-CG 4.17Å; R117-E131 WeakPolarHBondContact CB-OE1 3.45Å; R117-E131 WeakPolarHBondContact CB-OE2 3.46Å; R117-E131 PolarHBondContact N-OE1 3.32Å; R117-E131 IonicContact NE-OE2 2.75Å; R117-E131 PolarHBondContact NE-OE2 2.92Å; R117-E131 PolarHBondContact O-N 3.17Å; R117-E131 VanDerWaalsContact O-N 3.16Å; T119-E131 HydrophobicContact CG2-CB 3.82Å
132	N	89.4	Confident	97.2	Very high	97 Å²	97	49.7 Å²	49.7	52%	0.519	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	27.3	172.5	70.6	-22.8	0	0	0	112.2	L130 K134	L130-N132 VanDerWaalsContact CB-OD1 3.25Å; L130-N132 WeakPolarHBondContact CB-OD1 3.37Å; L130-N132 PolarHBondContact O-N 2.88Å; L130-N132 VanDerWaalsContact O-N 3.1Å; N132-K134 PolarHBondContact O-N 3.14Å; N132-K134 WeakPolarHBondContact OD1-CB 3.49Å; N132-K134 PolarHBondContact OD1-N 3.47Å
133	D	90.4	Very high	97.3	Very high	140 Å²	140	48.3 Å²	48.3	75%	0.749	23%	0.233	S	C	*	.	S	Bend	trans	57.7	2.2	-177.8	-56.3	-50.4	0	0	0	116.1	L130 K135	L130-D133 PolarHBondContact O-N 2.83Å; L130-D133 VanDerWaalsContact O-N 3.12Å; D133-K135 PolarHBondContact O-N 3.07Å
134	K	94.4	Very high	97.3	Very high	46 Å²	46	48.6 Å²	48.6	20%	0.2	24%	0.235	C	C	.	.			trans	-67.4	126.6	175.4	-175.3	-177.8	176.7	72.9	0	110.1	A40 D42 L130 N132 I136	A40-K134 WeakPolarHBondContact O-CE 3.49Å; A40-K134 PolarHBondContact O-NZ 3.2Å; D42-K134 IonicContact OD1-NZ 3.14Å; D42-K134 PolarHBondContact OD1-NZ 2.8Å; L130-K134 HydrophobicContact CB-CB 4.48Å; L130-K134 WeakPolarHBondContact CB-O 3.48Å; L130-K134 HydrophobicContact CD1-CB 4.3Å; L130-K134 HydrophobicContact CD1-CD 4.49Å; L130-K134 WeakPolarHBondContact CG-O 3.45Å; L130-K134 PolarHBondContact N-O 2.9Å; N132-K134 PolarHBondContact O-N 3.14Å; N132-K134 WeakPolarHBondContact OD1-CB 3.49Å; N132-K134 PolarHBondContact OD1-N 3.47Å; K134-I136 HydrophobicContact CD-CD1 4.4Å; K134-I136 HydrophobicContact CD-CG1 4.29Å; K134-I136 HydrophobicContact CG-CG1 4.3Å
135	K	96.9	Very high	97.3	Very high	83 Å²	83	46 Å²	46	36%	0.361	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	139	167.8	-166	179.4	-171.5	-179.9	0	110.4	C127 V128 W129 D133	C127-K135 HydrophobicContact CB-CG 4.26Å; C127-K135 WeakPolarHBondContact SG-CE 3.45Å; V128-K135 WeakPolarHBondContact O-CA 3.21Å; W129-K135 HydrophobicContact CD2-CG 4.41Å; W129-K135 HydrophobicContact CE3-CB 3.98Å; W129-K135 HydrophobicContact CE3-CG 4.29Å; W129-K135 HydrophobicContact CH2-CB 4.3Å; W129-K135 HydrophobicContact CH2-CD 3.87Å; W129-K135 HydrophobicContact CH2-CG 4.26Å; W129-K135 HydrophobicContact CZ2-CD 3.98Å; W129-K135 HydrophobicContact CZ2-CG 4.34Å; W129-K135 HydrophobicContact CZ3-CB 3.85Å; W129-K135 HydrophobicContact CZ3-CD 4.28Å; W129-K135 HydrophobicContact CZ3-CG 4.22Å; D133-K135 PolarHBondContact O-N 3.07Å
136	I	98.3	Very high	97.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.2	171.1	-57.4	-173.2	0	0	0	109.4	Y44 L47 I114 C127 V128 L130 K134	Y44-I136 HydrophobicContact CD2-CG2 3.75Å; Y44-I136 HydrophobicContact CE2-CG2 3.92Å; L47-I136 HydrophobicContact CD1-CG2 4.14Å; L47-I136 HydrophobicContact CD2-CB 4.31Å; L47-I136 HydrophobicContact CD2-CG2 3.86Å; I114-I136 HydrophobicContact CD1-CD1 3.41Å; I114-I136 VanDerWaalsContact CD1-CD1 3.41Å; I114-I136 HydrophobicContact CG2-CD1 4.35Å; C127-I136 CarbonylContact C-O 3.46Å; C127-I136 WeakPolarHBondContact CA-O 3.3Å; C127-I136 WeakPolarHBondContact CB-O 3.33Å; V128-I136 HydrophobicContact CG2-CB 4.22Å; V128-I136 PolarHBondContact N-O 3.26Å; V128-I136 PolarHBondContact O-N 3.39Å; L130-I136 HydrophobicContact CD1-CD1 3.69Å; L130-I136 HydrophobicContact CD1-CG1 4.24Å; L130-I136 HydrophobicContact CG-CD1 4.43Å; K134-I136 HydrophobicContact CD-CD1 4.4Å; K134-I136 HydrophobicContact CD-CG1 4.29Å; K134-I136 HydrophobicContact CG-CG1 4.3Å
137	S	98.7	Very high	97.3	Very high	40 Å²	40	38.8 Å²	38.8	28%	0.28	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	159.7	175.9	63.3	0	0	0	0	112.3	D42 Y43 Y44 N126	D42-S137 PolarHBondContact O-N 3.48Å; D42-S137 PolarHBondContact O-OG 3.15Å; Y43-S137 WeakPolarHBondContact CA-O 3.36Å; Y43-S137 WeakPolarHBondContact CB-OG 3.21Å; Y43-S137 WeakPolarHBondContact CD2-OG 3.24Å; Y44-S137 PolarHBondContact N-O 2.97Å; N126-S137 CarbonylContact O-C 3.56Å; N126-S137 VanDerWaalsContact O-CA 3.31Å; N126-S137 WeakPolarHBondContact O-CA 3.15Å
138	Y	98.8	Very high	97.3	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.2	-177.5	57.9	-103.7	0	0	0	112.9	Y44 L47 P123 N126 C127 V128 L141 V331	Y44-Y138 WeakPolarHBondContact O-CA 3.49Å; L47-Y138 HydrophobicContact CB-CG 4.49Å; L47-Y138 HydrophobicContact CD2-CD1 4.12Å; P123-Y138 WeakPolarHBondContact CA-OH 3.42Å; N126-Y138 VanDerWaalsContact C-CZ 3.49Å; N126-Y138 HydrophobicContact CB-CD2 4.23Å; N126-Y138 HydrophobicContact CB-CE2 3.93Å; N126-Y138 WeakPolarHBondContact O-CD1 3.17Å; N126-Y138 PolarHBondContact O-N 3.18Å; C127-Y138 VanDerWaalsContact N-CE1 3.32Å; V128-Y138 HydrophobicContact CG1-CE1 4.15Å; Y138-L141 HydrophobicContact CD1-CB 4.13Å; Y138-L141 HydrophobicContact CD1-CD1 3.87Å; Y138-L141 HydrophobicContact CD1-CG 4.41Å; Y138-L141 HydrophobicContact CD2-CB 3.86Å; Y138-L141 HydrophobicContact CE1-CB 3.92Å; Y138-L141 HydrophobicContact CE1-CD1 3.9Å; Y138-L141 HydrophobicContact CE1-CD2 3.77Å; Y138-L141 HydrophobicContact CE1-CG 4.08Å; Y138-L141 HydrophobicContact CE2-CB 3.66Å; Y138-L141 HydrophobicContact CG-CB 4.1Å; Y138-L141 HydrophobicContact CG-CD1 4.43Å; Y138-V331 HydrophobicContact CE2-CG2 4.44Å
139	K	98.8	Very high	97.3	Very high	86 Å²	86	41.8 Å²	41.8	37%	0.374	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-43	161.2	-171.8	-173.2	178.8	-176.4	0	111.2	Y43 Y44 E45 N330	Y43-K139 HydrophobicContact CE2-CB 4.45Å; Y44-K139 PolarHBondContact O-N 3.03Å; E45-K139 HydrophobicContact CG-CB 4.03Å; E45-K139 HydrophobicContact CG-CD 3.56Å; E45-K139 HydrophobicContact CG-CG 4.44Å; E45-K139 WeakPolarHBondContact O-CB 3.41Å; E45-K139 WeakPolarHBondContact OE1-CD 3.38Å; E45-K139 IonicContact OE1-NZ 3.13Å; E45-K139 PolarHBondContact OE1-NZ 2.82Å; K139-N330 WeakPolarHBondContact O-CB 3.44Å; K139-N330 PolarHBondContact O-ND2 3.45Å
140	Y	98.9	Very high	97.3	Very high	20 Å²	20	37.6 Å²	37.6	8%	0.078	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142	174	-53.5	-74	0	0	0	111.6	E45 V46 L47 N330 F332 V363 M364	E45-Y140 HydrophobicContact CG-CD2 4.45Å; E45-Y140 PolarHBondContact O-N 2.72Å; V46-Y140 WeakPolarHBondContact CA-O 3.26Å; V46-Y140 HydrophobicContact CG2-CD2 4.41Å; L47-Y140 PolarHBondContact N-O 2.82Å; Y140-N330 WeakPolarHBondContact CA-O 3.27Å; Y140-N330 HydrophobicContact CD1-CB 3.8Å; Y140-N330 HydrophobicContact CE1-CB 4.26Å; Y140-F332 HydrophobicContact CD1-CE2 4.07Å; Y140-V363 HydrophobicContact CE1-CG1 4.17Å; Y140-M364 HydrophobicContact CD2-CE 3.59Å; Y140-M364 HydrophobicContact CD2-CG 4.39Å; Y140-M364 HydrophobicContact CE2-CE 3.64Å; Y140-M364 HydrophobicContact CE2-CG 3.63Å; Y140-M364 HydrophobicContact CG-CE 4.47Å
141	L	98.9	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.1	179.3	-174.3	68.9	0	0	0	111.3	L47 L49 L121 V128 Y138 I143 N330 V331 F332	L47-L141 HydrophobicContact CB-CD1 3.99Å; L47-L141 HydrophobicContact CD2-CD1 4.07Å; L47-L141 HydrophobicContact CG-CD1 4.1Å; L47-L141 WeakPolarHBondContact O-CA 3.47Å; L49-L141 HydrophobicContact CD1-CD1 4.04Å; L49-L141 HydrophobicContact CD1-CD2 4.29Å; L49-L141 HydrophobicContact CD2-CD1 4.16Å; L49-L141 HydrophobicContact CG-CD1 3.83Å; L121-L141 HydrophobicContact CD2-CD2 4.05Å; V128-L141 HydrophobicContact CG1-CD1 4.25Å; V128-L141 HydrophobicContact CG1-CD2 4.46Å; Y138-L141 HydrophobicContact CD1-CB 4.13Å; Y138-L141 HydrophobicContact CD1-CD1 3.87Å; Y138-L141 HydrophobicContact CD1-CG 4.41Å; Y138-L141 HydrophobicContact CD2-CB 3.86Å; Y138-L141 HydrophobicContact CE1-CB 3.92Å; Y138-L141 HydrophobicContact CE1-CD1 3.9Å; Y138-L141 HydrophobicContact CE1-CD2 3.77Å; Y138-L141 HydrophobicContact CE1-CG 4.08Å; Y138-L141 HydrophobicContact CE2-CB 3.66Å; Y138-L141 HydrophobicContact CG-CB 4.1Å; Y138-L141 HydrophobicContact CG-CD1 4.43Å; L141-I143 HydrophobicContact CD2-CD1 3.98Å; L141-I143 HydrophobicContact CD2-CG1 3.88Å; L141-I143 HydrophobicContact CG-CG1 4.03Å; L141-N330 PolarHBondContact N-O 3.17Å; L141-V331 HydrophobicContact CB-CG1 4.44Å; L141-V331 HydrophobicContact CB-CG2 4.22Å; L141-V331 HydrophobicContact CD2-CG1 4.19Å; L141-V331 HydrophobicContact CD2-CG2 4.39Å; L141-V331 CarbonylContact O-C 3.16Å; L141-F332 PolarHBondContact O-N 2.96Å
142	I	99	Very high	97.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.2	172.9	-54.3	177.8	0	0	0	109.1	V46 L47 V48 L49 M58 M62 I334 L356 I360	V46-I142 HydrophobicContact CG1-CD1 3.78Å; V46-I142 HydrophobicContact CG1-CG1 4.11Å; L47-I142 PolarHBondContact O-N 3.38Å; V48-I142 WeakPolarHBondContact CA-O 3.36Å; V48-I142 HydrophobicContact CG1-CB 4.34Å; V48-I142 HydrophobicContact CG1-CG2 4.5Å; V48-I142 HydrophobicContact CG2-CB 4.28Å; V48-I142 HydrophobicContact CG2-CD1 4.39Å; L49-I142 PolarHBondContact N-O 3.06Å; M58-I142 HydrophobicContact CB-CD1 4.06Å; M58-I142 HydrophobicContact CB-CG2 4.17Å; M58-I142 HydrophobicContact CE-CD1 4.09Å; M58-I142 HydrophobicContact CG-CG2 4.17Å; M62-I142 HydrophobicContact CG-CD1 3.79Å; M62-I142 HydrophobicContact SD-CD1 4.43Å; I142-I334 HydrophobicContact CG2-CG2 4.12Å; I142-L356 HydrophobicContact CG2-CD2 4.35Å; I142-I360 HydrophobicContact CD1-CD1 3.62Å; I142-I360 HydrophobicContact CG1-CD1 4.03Å
143	I	98.9	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.2	-179.5	-47.4	-179.8	0	0	0	109.3	L49 L121 L141 L145 L304 V309 V316 V331 F332 G333 I334	L49-I143 HydrophobicContact CD1-CG1 4.26Å; L121-I143 HydrophobicContact CD2-CD1 3.81Å; L141-I143 HydrophobicContact CD2-CD1 3.98Å; L141-I143 HydrophobicContact CD2-CG1 3.88Å; L141-I143 HydrophobicContact CG-CG1 4.03Å; I143-L145 HydrophobicContact CG2-CD1 3.91Å; I143-L145 HydrophobicContact CG2-CG 4.05Å; I143-L304 HydrophobicContact CG2-CD1 4.27Å; I143-L304 HydrophobicContact CG2-CD2 4.25Å; I143-V309 HydrophobicContact CD1-CB 4.18Å; I143-V309 HydrophobicContact CD1-CG1 4.41Å; I143-V309 HydrophobicContact CD1-CG2 3.76Å; I143-V316 HydrophobicContact CB-CG2 4.12Å; I143-V316 HydrophobicContact CD1-CG1 3.99Å; I143-V316 HydrophobicContact CD1-CG2 4.18Å; I143-V316 HydrophobicContact CG2-CG2 3.73Å; I143-V331 HydrophobicContact CD1-CG1 3.87Å; I143-V331 HydrophobicContact CG1-CG1 4.32Å; I143-F332 PolarHBondContact N-O 3.13Å; I143-G333 WeakPolarHBondContact O-CA 3.16Å; I143-I334 PolarHBondContact O-N 2.91Å
144	A	98.9	Very high	98.4	Very high	9 Å²	9	33.9 Å²	33.9	7%	0.074	17%	0.17	C	C	.	.			trans	-135	30.8	-175.6	0	0	0	0	0	112.3	L49 G55 G146 I334	L49-A144 CarbonylContact O-C 3.6Å; L49-A144 VanDerWaalsContact O-C 3.29Å; L49-A144 WeakPolarHBondContact O-CA 3.42Å; L49-A144 PolarHBondContact O-N 2.98Å; G55-A144 VanDerWaalsContact N-CB 3.34Å; A144-G146 PolarHBondContact O-N 2.97Å; A144-G146 VanDerWaalsContact O-N 3.1Å; A144-I334 HydrophobicContact CB-CG2 3.64Å
145	L	98.9	Very high	98.6	Very high	42 Å²	42	38.4 Å²	38.4	22%	0.22	19%	0.19	C	C	.	.			trans	-68.9	-4.8	-169.2	-69.8	171.2	0	0	0	115.4	L49 V118 I143 P301 V303 L304 C337	L49-L145 HydrophobicContact CB-CD1 4.31Å; L49-L145 HydrophobicContact CB-CD2 3.93Å; L49-L145 HydrophobicContact CB-CG 3.96Å; L49-L145 PolarHBondContact O-N 3.46Å; V118-L145 HydrophobicContact CG1-CD1 4.16Å; V118-L145 HydrophobicContact CG1-CD2 3.93Å; I143-L145 HydrophobicContact CG2-CD1 3.91Å; I143-L145 HydrophobicContact CG2-CG 4.05Å; L145-P301 HydrophobicContact CB-CB 4.33Å; L145-P301 HydrophobicContact CB-CG 3.87Å; L145-V303 HydrophobicContact CD1-CG1 3.82Å; L145-L304 HydrophobicContact CB-CD1 4.39Å; L145-L304 HydrophobicContact CD1-CD1 4.04Å; L145-L304 HydrophobicContact CD1-CD2 4.15Å; L145-L304 HydrophobicContact CD1-CG 4.02Å; L145-C337 HydrophobicContact CB-CB 4.49Å
146	G	98.6	Very high	98.7	Very high	20 Å²	20	36 Å²	36	21%	0.206	19%	0.188	C	C	.	.			trans	76.5	-136.8	174.8	0	0	0	0	0	113.7	A144 D336 C337	A144-G146 PolarHBondContact O-N 2.97Å; A144-G146 VanDerWaalsContact O-N 3.1Å; G146-D336 CarbonylContact O-C 3.51Å; G146-D336 VanDerWaalsContact O-C 3.31Å; G146-C337 WeakPolarHBondContact O-CA 3.4Å; G146-C337 WeakPolarHBondContact O-CB 3.34Å; G146-C337 PolarHBondContact O-N 3.33Å
147	I	98.7	Very high	98.7	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.097	19%	0.189	C	C	.	.			trans	-140.6	137	-173.9	-159.9	174.8	0	0	0	110	K200 M298 G299 W315 D336 K344	I147-K200 HydrophobicContact CG2-CB 4.17Å; I147-K200 HydrophobicContact CG2-CD 3.64Å; I147-K200 HydrophobicContact CG2-CG 4.02Å; I147-M298 HydrophobicContact CD1-CB 3.58Å; I147-M298 HydrophobicContact CD1-CG 4.48Å; I147-M298 HydrophobicContact CD1-SD 4.22Å; I147-M298 HydrophobicContact CG1-CB 3.93Å; I147-M298 HydrophobicContact CG2-SD 4.46Å; I147-G299 WeakPolarHBondContact CG1-O 3.24Å; I147-W315 HydrophobicContact CD1-CH2 3.83Å; I147-W315 HydrophobicContact CD1-CZ3 4.27Å; I147-W315 HydrophobicContact CG1-CH2 3.84Å; I147-W315 HydrophobicContact CG1-CZ3 4Å; I147-D336 HydrophobicContact CB-CB 3.95Å; I147-D336 HydrophobicContact CG2-CB 4.37Å; I147-K344 HydrophobicContact CD1-CD 4.29Å
148	G	98.1	Very high	98.7	Very high	17 Å²	17	37.2 Å²	37.2	18%	0.175	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	148.7	172.4	0	0	0	0	0	111.6	M298 G299	G148-M298 VanDerWaalsContact O-CA 3.31Å; G148-M298 WeakPolarHBondContact O-CA 3.44Å; G148-M298 VanDerWaalsContact O-CB 3.28Å; G148-M298 WeakPolarHBondContact O-CB 3.3Å; G148-G299 PolarHBondContact N-O 2.75Å; G148-G299 PolarHBondContact O-N 3.28Å
149	L	98.6	Very high	98.7	Very high	48 Å²	48	42.1 Å²	42.1	25%	0.251	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	107.7	176.5	-61.5	179.6	0	0	0	108.5	Y151 Y170 P296 M298	L149-Y151 HydrophobicContact CB-CD2 4.25Å; L149-Y151 HydrophobicContact CB-CE2 3.99Å; L149-Y151 HydrophobicContact CD1-CE2 4.28Å; L149-Y151 PolarHBondContact O-N 3.19Å; L149-Y170 WeakPolarHBondContact CD1-O 3.41Å; L149-P296 HydrophobicContact CB-CG 4.41Å; L149-P296 HydrophobicContact CD2-CG 4.09Å; L149-M298 HydrophobicContact CD2-CE 4.22Å; L149-M298 HydrophobicContact CD2-CG 3.87Å; L149-M298 HydrophobicContact CD2-SD 3.76Å
150	H	98.3	Very high	98.7	Very high	16 Å²	16	38.2 Å²	38.2	7%	0.074	20%	0.203	C	C	.	.			trans	-100.8	72.2	-170.9	-65.7	-68.3	0	0	0	111	E152 K153 P297	H150-E152 VanDerWaalsContact C-N 3.29Å; H150-E152 VanDerWaalsContact C-OE2 3.25Å; H150-E152 VanDerWaalsContact CA-OE1 3.26Å; H150-E152 WeakPolarHBondContact CA-OE1 3.43Å; H150-E152 WeakPolarHBondContact CA-OE2 3.48Å; H150-E152 WeakPolarHBondContact CB-OE1 3.45Å; H150-E152 IonicContact CE1-OE1 2.73Å; H150-E152 IonicContact CG-OE1 3.41Å; H150-E152 IonicContact ND1-OE1 3.19Å; H150-E152 PolarHBondContact ND1-OE1 3.06Å; H150-K153 HydrophobicContact CB-CB 4.33Å; H150-K153 HydrophobicContact CB-CD 3.63Å; H150-K153 HydrophobicContact CB-CG 3.92Å; H150-K153 PolarHBondContact O-N 3.14Å; H150-P297 WeakPolarHBondContact CA-O 3.5Å; H150-P297 HydrophobicContact CB-CB 4.22Å; H150-P297 WeakPolarHBondContact CB-O 3.31Å; H150-P297 PolarHBondContact N-O 3.25Å; H150-P297 WeakPolarHBondContact O-CD 3.32Å
151	Y	98.7	Very high	98.7	Very high	20 Å²	20	37.8 Å²	37.8	8%	0.078	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66.9	-34.9	175.7	-72	-82.9	0	0	0	111.2	L149 K153 I154 F161 S168 Y170 S171 P296	L149-Y151 HydrophobicContact CB-CD2 4.25Å; L149-Y151 HydrophobicContact CB-CE2 3.99Å; L149-Y151 HydrophobicContact CD1-CE2 4.28Å; L149-Y151 PolarHBondContact O-N 3.19Å; Y151-K153 PolarHBondContact O-N 2.93Å; Y151-K153 VanDerWaalsContact O-N 3.13Å; Y151-I154 PolarHBondContact O-N 2.82Å; Y151-F161 AromaticContact CD1-CE2 3.42Å; Y151-F161 HydrophobicContact CD1-CE2 3.42Å; Y151-F161 VanDerWaalsContact CD1-CE2 3.42Å; Y151-F161 AromaticContact CD1-CZ 3.63Å; Y151-F161 HydrophobicContact CD1-CZ 3.63Å; Y151-F161 AromaticContact CE1-CE2 3.72Å; Y151-F161 HydrophobicContact CE1-CE2 3.72Å; Y151-F161 AromaticContact CE1-CZ 3.57Å; Y151-F161 HydrophobicContact CE1-CZ 3.57Å; Y151-F161 HydrophobicContact CG-CE2 4.13Å; Y151-S168 WeakPolarHBondContact OH-CB 3.38Å; Y151-S168 PolarHBondContact OH-OG 2.92Å; Y151-Y170 WeakPolarHBondContact OH-CB 3.06Å; Y151-S171 WeakPolarHBondContact OH-CB 3.4Å; Y151-S171 PolarHBondContact OH-N 3.48Å; Y151-P296 HydrophobicContact CD1-CB 3.65Å; Y151-P296 HydrophobicContact CD1-CG 4.25Å; Y151-P296 HydrophobicContact CD2-CB 4.11Å; Y151-P296 HydrophobicContact CD2-CG 4.43Å; Y151-P296 HydrophobicContact CE1-CB 3.64Å; Y151-P296 HydrophobicContact CE1-CG 3.72Å; Y151-P296 HydrophobicContact CE2-CB 4.11Å; Y151-P296 HydrophobicContact CE2-CG 3.93Å; Y151-P296 HydrophobicContact CG-CB 3.9Å
152	E	98.4	Very high	98.6	Very high	106 Å²	106	45.3 Å²	45.3	50%	0.495	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62.8	-13.5	178.2	74.1	-64.1	154.6	0	0	114.6	H150 I154 L157	H150-E152 VanDerWaalsContact C-N 3.29Å; H150-E152 VanDerWaalsContact C-OE2 3.25Å; H150-E152 VanDerWaalsContact CA-OE1 3.26Å; H150-E152 WeakPolarHBondContact CA-OE1 3.43Å; H150-E152 WeakPolarHBondContact CA-OE2 3.48Å; H150-E152 WeakPolarHBondContact CB-OE1 3.45Å; H150-E152 IonicContact CE1-OE1 2.73Å; H150-E152 IonicContact CG-OE1 3.41Å; H150-E152 IonicContact ND1-OE1 3.19Å; H150-E152 PolarHBondContact ND1-OE1 3.06Å; E152-I154 VanDerWaalsContact C-N 3.27Å; E152-L157 WeakPolarHBondContact CA-O 3.19Å
153	K	98.3	Very high	98.6	Very high	132 Å²	132	48.9 Å²	48.9	57%	0.574	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-81.4	-4.8	171.7	-66.5	-178.9	-170.4	172.3	0	113.2	H150 Y151 P297	H150-K153 HydrophobicContact CB-CB 4.33Å; H150-K153 HydrophobicContact CB-CD 3.63Å; H150-K153 HydrophobicContact CB-CG 3.92Å; H150-K153 PolarHBondContact O-N 3.14Å; Y151-K153 PolarHBondContact O-N 2.93Å; Y151-K153 VanDerWaalsContact O-N 3.13Å; K153-P297 HydrophobicContact CB-CB 4.36Å; K153-P297 HydrophobicContact CB-CG 4.2Å
154	I	98.9	Very high	98.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.28	C	S	.	.	S	Bend	trans	-105.9	116.6	166.2	-63	161.6	0	0	0	106.9	Y151 E152 G156 L157 L263 V266 V294 P297	Y151-I154 PolarHBondContact O-N 2.82Å; E152-I154 VanDerWaalsContact C-N 3.27Å; I154-G156 PolarHBondContact O-N 3.42Å; I154-L157 HydrophobicContact CB-CB 4.42Å; I154-L157 HydrophobicContact CB-CD1 3.96Å; I154-L157 HydrophobicContact CB-CG 4.34Å; I154-L157 HydrophobicContact CD1-CD1 3.97Å; I154-L157 HydrophobicContact CG2-CD1 3.77Å; I154-L157 HydrophobicContact CG2-CG 4.04Å; I154-L157 PolarHBondContact O-N 3.29Å; I154-L263 HydrophobicContact CD1-CD2 3.82Å; I154-L263 HydrophobicContact CD1-CG 4.25Å; I154-L263 HydrophobicContact CG1-CG 4.45Å; I154-L263 HydrophobicContact CG2-CD2 4.16Å; I154-L263 HydrophobicContact CG2-CG 4.03Å; I154-V266 HydrophobicContact CG2-CG2 3.94Å; I154-V294 HydrophobicContact CD1-CG1 3.64Å; I154-P297 HydrophobicContact CD1-CG 4.42Å; I154-P297 HydrophobicContact CG1-CG 4.26Å
155	K	98.9	Very high	98.6	Very high	140 Å²	140	55 Å²	55	61%	0.609	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-57.9	129.1	-178.8	-179.5	-175.8	171.9	-150.6	0	110.4	I264 E265 V266	K155-I264 PolarHBondContact N-O 2.75Å; K155-E265 HydrophobicContact CB-CB 4.03Å; K155-E265 HydrophobicContact CB-CG 4.1Å; K155-E265 HydrophobicContact CD-CG 4.1Å; K155-E265 VanDerWaalsContact CD-OE1 3.29Å; K155-E265 WeakPolarHBondContact CD-OE1 3.37Å; K155-E265 WeakPolarHBondContact CE-OE1 3.12Å; K155-E265 HydrophobicContact CG-CG 4.2Å; K155-E265 IonicContact NZ-OE1 3.87Å; K155-E265 PolarHBondContact NZ-OE1 3.38Å; K155-E265 CarbonylContact O-C 3.59Å; K155-E265 WeakPolarHBondContact O-CA 3.48Å; K155-V266 PolarHBondContact O-N 3.07Å
156	G	98.8	Very high	98.6	Very high	32 Å²	32	53.1 Å²	53.1	33%	0.33	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	6.6	-177.2	0	0	0	0	0	114.8	I154 G160	I154-G156 PolarHBondContact O-N 3.42Å; G156-G160 VanDerWaalsContact O-CA 3.3Å; G156-G160 WeakPolarHBondContact O-CA 3.25Å; G156-G160 PolarHBondContact O-N 2.66Å
157	L	98.8	Very high	98.6	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	146.7	165	-59.7	-178.3	0	0	0	109.5	E152 I154 F161 I166 V266 V294	E152-L157 WeakPolarHBondContact CA-O 3.19Å; I154-L157 HydrophobicContact CB-CB 4.42Å; I154-L157 HydrophobicContact CB-CD1 3.96Å; I154-L157 HydrophobicContact CB-CG 4.34Å; I154-L157 HydrophobicContact CD1-CD1 3.97Å; I154-L157 HydrophobicContact CG2-CD1 3.77Å; I154-L157 HydrophobicContact CG2-CG 4.04Å; I154-L157 PolarHBondContact O-N 3.29Å; L157-F161 HydrophobicContact CB-CE2 4.35Å; L157-F161 HydrophobicContact CD1-CE2 4.22Å; L157-F161 HydrophobicContact CD1-CZ 4.06Å; L157-F161 HydrophobicContact CD2-CD2 4.15Å; L157-F161 HydrophobicContact CD2-CE1 4.46Å; L157-F161 HydrophobicContact CD2-CE2 3.95Å; L157-F161 HydrophobicContact CD2-CG 4.47Å; L157-F161 HydrophobicContact CD2-CZ 4.11Å; L157-F161 HydrophobicContact CG-CE2 4.42Å; L157-I166 HydrophobicContact CD2-CD1 3.7Å; L157-V266 HydrophobicContact CD1-CG2 4.18Å; L157-V266 HydrophobicContact CD2-CB 4.27Å; L157-V266 HydrophobicContact CD2-CG1 4.45Å; L157-V266 HydrophobicContact CD2-CG2 4.49Å; L157-V266 HydrophobicContact CG-CB 4.3Å; L157-V266 HydrophobicContact CG-CG2 4.28Å; L157-V294 HydrophobicContact CD1-CB 4.39Å; L157-V294 HydrophobicContact CD1-CG1 3.84Å; L157-V294 HydrophobicContact CD1-CG2 4.01Å
158	P	98.6	Very high	98.6	Very high	62 Å²	62	51.3 Å²	51.3	40%	0.403	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	cis	-79.6	-6.9	8.6	32.8	-37.8	0	0	0	116.3	G160 F161	P158-G160 VanDerWaalsContact C-N 3.27Å; P158-G160 PolarHBondContact O-N 2.73Å; P158-F161 HydrophobicContact CB-CD2 4.17Å; P158-F161 WeakPolarHBondContact O-CB 3.41Å; P158-F161 VanDerWaalsContact O-CD2 3.28Å; P158-F161 WeakPolarHBondContact O-CD2 3.15Å; P158-F161 PolarHBondContact O-N 2.87Å
159	E	98.6	Very high	98.7	Very high	110 Å²	110	51 Å²	51	51%	0.514	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-59	-37.1	-171	-59.5	65.8	-138.9	0	0	112.5	F161 H162	E159-F161 PolarHBondContact O-N 2.85Å; E159-F161 VanDerWaalsContact O-N 3.13Å; E159-H162 WeakPolarHBondContact O-CB 3.35Å; E159-H162 PolarHBondContact O-N 2.9Å; E159-H162 PolarHBondContact O-ND1 3.13Å
160	G	98.6	Very high	98.7	Very high	5 Å²	5	49.2 Å²	49.2	5%	0.052	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-56.3	-27.3	177.2	0	0	0	0	0	113.6	G156 P158 H162 H163 I166 A268	G156-G160 VanDerWaalsContact O-CA 3.3Å; G156-G160 WeakPolarHBondContact O-CA 3.25Å; G156-G160 PolarHBondContact O-N 2.66Å; P158-G160 VanDerWaalsContact C-N 3.27Å; P158-G160 PolarHBondContact O-N 2.73Å; G160-H162 PolarHBondContact O-N 3.4Å; G160-H162 VanDerWaalsContact O-N 3.09Å; G160-H163 WeakPolarHBondContact O-CB 3.29Å; G160-H163 PolarHBondContact O-N 2.97Å; G160-H163 PolarHBondContact O-ND1 2.85Å; G160-I166 WeakPolarHBondContact O-CG2 3.27Å; G160-A268 WeakPolarHBondContact O-CB 3.47Å
161	F	98.8	Very high	98.7	Very high	10 Å²	10	49.5 Å²	49.5	4%	0.044	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-66.3	-8	175.3	-64.7	-62.9	0	0	0	114	Y151 L157 P158 E159 I166 T174 K177 V294	Y151-F161 AromaticContact CD1-CE2 3.42Å; Y151-F161 HydrophobicContact CD1-CE2 3.42Å; Y151-F161 VanDerWaalsContact CD1-CE2 3.42Å; Y151-F161 AromaticContact CD1-CZ 3.63Å; Y151-F161 HydrophobicContact CD1-CZ 3.63Å; Y151-F161 AromaticContact CE1-CE2 3.72Å; Y151-F161 HydrophobicContact CE1-CE2 3.72Å; Y151-F161 AromaticContact CE1-CZ 3.57Å; Y151-F161 HydrophobicContact CE1-CZ 3.57Å; Y151-F161 HydrophobicContact CG-CE2 4.13Å; L157-F161 HydrophobicContact CB-CE2 4.35Å; L157-F161 HydrophobicContact CD1-CE2 4.22Å; L157-F161 HydrophobicContact CD1-CZ 4.06Å; L157-F161 HydrophobicContact CD2-CD2 4.15Å; L157-F161 HydrophobicContact CD2-CE1 4.46Å; L157-F161 HydrophobicContact CD2-CE2 3.95Å; L157-F161 HydrophobicContact CD2-CG 4.47Å; L157-F161 HydrophobicContact CD2-CZ 4.11Å; L157-F161 HydrophobicContact CG-CE2 4.42Å; P158-F161 HydrophobicContact CB-CD2 4.17Å; P158-F161 WeakPolarHBondContact O-CB 3.41Å; P158-F161 VanDerWaalsContact O-CD2 3.28Å; P158-F161 WeakPolarHBondContact O-CD2 3.15Å; P158-F161 PolarHBondContact O-N 2.87Å; E159-F161 PolarHBondContact O-N 2.85Å; E159-F161 VanDerWaalsContact O-N 3.13Å; F161-I166 HydrophobicContact CD1-CD1 3.99Å; F161-I166 HydrophobicContact CD1-CG1 3.89Å; F161-I166 HydrophobicContact CD1-CG2 4.21Å; F161-I166 HydrophobicContact CE1-CD1 3.87Å; F161-I166 HydrophobicContact CE1-CG1 3.78Å; F161-T174 HydrophobicContact CB-CG2 4.06Å; F161-T174 HydrophobicContact CD1-CG2 3.72Å; F161-T174 HydrophobicContact CD2-CG2 3.7Å; F161-T174 HydrophobicContact CE1-CG2 4.04Å; F161-T174 HydrophobicContact CE2-CG2 4.03Å; F161-T174 HydrophobicContact CG-CG2 3.55Å; F161-T174 HydrophobicContact CZ-CG2 4.2Å; F161-K177 HydrophobicContact CB-CD 4.22Å; F161-K177 WeakPolarHBondContact O-CD 3.37Å; F161-K177 WeakPolarHBondContact O-CE 3.39Å; F161-K177 PolarHBondContact O-NZ 3.46Å; F161-V294 HydrophobicContact CZ-CB 4.33Å
162	H	98.3	Very high	98.7	Very high	158 Å²	158	50.1 Å²	50.1	73%	0.731	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-69	-23.4	168.2	-63.2	138.2	0	0	0	113	E159 G160	E159-H162 WeakPolarHBondContact O-CB 3.35Å; E159-H162 PolarHBondContact O-N 2.9Å; E159-H162 PolarHBondContact O-ND1 3.13Å; G160-H162 PolarHBondContact O-N 3.4Å; G160-H162 VanDerWaalsContact O-N 3.09Å
163	H	98.8	Very high	98.7	Very high	76 Å²	76	52.3 Å²	52.3	35%	0.352	27%	0.266	S	S	.	.	S	Bend	trans	-82	160.8	179.2	-62.5	82.4	0	0	0	112.3	G160 A268	G160-H163 WeakPolarHBondContact O-CB 3.29Å; G160-H163 PolarHBondContact O-N 2.97Å; G160-H163 PolarHBondContact O-ND1 2.85Å; H163-A268 HydrophobicContact CB-CB 3.82Å
164	P	98.7	Very high	98.7	Very high	89 Å²	89	46.3 Å²	46.3	58%	0.578	24%	0.241	S	C	*	.	S	Bend	trans	-71.2	-178.7	170.9	32.3	-37.6	0	0	0	112.2	I166	P164-I166 PolarHBondContact O-N 3.43Å
165	K	98.8	Very high	98.7	Very high	49 Å²	49	46.3 Å²	46.3	21%	0.213	24%	0.241	C	C	.	.	S	Bend	trans	63.3	-12.5	175.5	-60.4	-179.8	179	-174.9	0	116.9	A181 Q271 Y289 E290 M291 L292	K165-A181 WeakPolarHBondContact O-CB 3.25Å; K165-Q271 HydrophobicContact CD-CG 4.16Å; K165-Y289 HydrophobicContact CB-CD2 4.36Å; K165-Y289 HydrophobicContact CB-CE2 4.07Å; K165-E290 WeakPolarHBondContact CB-O 3.47Å; K165-E290 WeakPolarHBondContact CD-O 3.5Å; K165-E290 WeakPolarHBondContact CE-OE2 3.21Å; K165-E290 VanDerWaalsContact CG-O 3.3Å; K165-E290 WeakPolarHBondContact CG-O 3.42Å; K165-E290 IonicContact NZ-OE1 3.89Å; K165-E290 IonicContact NZ-OE2 2.62Å; K165-E290 PolarHBondContact NZ-OE2 2.96Å; K165-M291 CarbonylContact O-C 3.43Å; K165-M291 WeakPolarHBondContact O-CA 3.41Å; K165-L292 PolarHBondContact O-N 2.81Å
166	I	98.9	Very high	98.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.1	177.9	-172.3	176.2	0	0	0	112.9	L157 G160 F161 P164 K177 V266 L292 V294	L157-I166 HydrophobicContact CD2-CD1 3.7Å; G160-I166 WeakPolarHBondContact O-CG2 3.27Å; F161-I166 HydrophobicContact CD1-CD1 3.99Å; F161-I166 HydrophobicContact CD1-CG1 3.89Å; F161-I166 HydrophobicContact CD1-CG2 4.21Å; F161-I166 HydrophobicContact CE1-CD1 3.87Å; F161-I166 HydrophobicContact CE1-CG1 3.78Å; P164-I166 PolarHBondContact O-N 3.43Å; I166-K177 WeakPolarHBondContact O-CB 3.26Å; I166-V266 HydrophobicContact CD1-CG1 3.91Å; I166-L292 CarbonylContact C-O 3.59Å; I166-L292 WeakPolarHBondContact CA-O 3.31Å; I166-L292 HydrophobicContact CD1-CD2 3.96Å; I166-L292 HydrophobicContact CG1-CB 4.31Å; I166-L292 HydrophobicContact CG1-CD2 4.18Å; I166-L292 HydrophobicContact CG1-CG 4.32Å; I166-V294 HydrophobicContact CD1-CG2 4.01Å; I166-V294 HydrophobicContact CG1-CG2 4.21Å
167	G	98.9	Very high	98.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	174.9	174.6	0	0	0	0	0	114.1	L292 H293 V294	G167-L292 PolarHBondContact N-O 2.84Å; G167-H293 WeakPolarHBondContact O-CA 3.14Å; G167-V294 PolarHBondContact O-N 2.88Å
168	S	98.9	Very high	98.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.			trans	-156.4	125.8	172.7	-178.6	0	0	0	0	111.2	Y151 Y170 T174 V175 T178 V294	Y151-S168 WeakPolarHBondContact OH-CB 3.38Å; Y151-S168 PolarHBondContact OH-OG 2.92Å; S168-Y170 PolarHBondContact O-N 2.84Å; S168-Y170 VanDerWaalsContact O-N 3.16Å; S168-T174 PolarHBondContact N-O 2.77Å; S168-T174 CarbonylContact O-C 3.34Å; S168-T174 PolarHBondContact O-OG1 2.95Å; S168-V175 VanDerWaalsContact O-CA 3.27Å; S168-V175 WeakPolarHBondContact O-CA 3.37Å; S168-V175 PolarHBondContact O-N 3.17Å; S168-T178 PolarHBondContact N-OG1 2.72Å; S168-V294 WeakPolarHBondContact CB-O 3.46Å; S168-V294 PolarHBondContact OG-O 2.86Å
169	N	98.9	Very high	98.7	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.059	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	9.6	179.9	-66.5	-10.8	0	0	0	114	W86 G90 V175 T178 I208 H293	W86-N169 WeakPolarHBondContact CB-O 3.31Å; G90-N169 WeakPolarHBondContact CA-OD1 3.39Å; N169-V175 HydrophobicContact CB-CG2 4.41Å; N169-T178 WeakPolarHBondContact OD1-CB 3.34Å; N169-T178 WeakPolarHBondContact OD1-CG2 3.33Å; N169-T178 PolarHBondContact OD1-OG1 3.04Å; N169-I208 WeakPolarHBondContact ND2-CB 3.22Å; N169-I208 VanDerWaalsContact ND2-CG1 3.34Å; N169-I208 WeakPolarHBondContact ND2-CG1 3.41Å; N169-H293 PolarHBondContact N-NE2 2.59Å
170	Y	98.8	Very high	98.8	Very high	11 Å²	11	45.5 Å²	45.5	4%	0.043	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-12.5	-175.7	-79	-82.8	0	0	0	114.6	W86 L149 Y151 S168 K200 C201 P205 T295 M298	W86-Y170 WeakPolarHBondContact CZ3-O 3.45Å; L149-Y170 WeakPolarHBondContact CD1-O 3.41Å; Y151-Y170 WeakPolarHBondContact OH-CB 3.06Å; S168-Y170 PolarHBondContact O-N 2.84Å; S168-Y170 VanDerWaalsContact O-N 3.16Å; Y170-K200 HydrophobicContact CD1-CG 4.25Å; Y170-K200 HydrophobicContact CE1-CG 3.95Å; Y170-K200 WeakPolarHBondContact CE1-O 3.41Å; Y170-K200 PolarHBondContact OH-O 3.42Å; Y170-C201 PolarHBondContact OH-O 3.05Å; Y170-P205 HydrophobicContact CE2-CG 4.21Å; Y170-P205 WeakPolarHBondContact OH-CD 3.29Å; Y170-T295 HydrophobicContact CD2-CG2 4.02Å; Y170-T295 HydrophobicContact CE2-CG2 3.52Å; Y170-M298 HydrophobicContact CD1-CE 3.45Å; Y170-M298 VanDerWaalsContact CD1-CE 3.45Å; Y170-M298 HydrophobicContact CD1-SD 4.43Å; Y170-M298 HydrophobicContact CD2-CE 4.36Å; Y170-M298 HydrophobicContact CE1-CE 3.4Å; Y170-M298 VanDerWaalsContact CE1-CE 3.4Å; Y170-M298 HydrophobicContact CE1-SD 4.41Å; Y170-M298 HydrophobicContact CE2-CE 4.31Å; Y170-M298 HydrophobicContact CG-CE 3.93Å
171	S	98.7	Very high	98.8	Very high	22 Å²	22	45.3 Å²	45.3	15%	0.154	21%	0.214	C	C	.	.	S	Bend	trans	-129.3	144.5	174.8	172.1	0	0	0	0	111.4	Y151 H173 T174 V175	Y151-S171 WeakPolarHBondContact OH-CB 3.4Å; Y151-S171 PolarHBondContact OH-N 3.48Å; S171-H173 PolarHBondContact O-N 3.13Å; S171-H173 PolarHBondContact OG-N 3.44Å; S171-T174 WeakPolarHBondContact CB-OG1 3.21Å; S171-T174 PolarHBondContact O-N 2.7Å; S171-T174 VanDerWaalsContact O-N 3.16Å; S171-T174 PolarHBondContact O-OG1 3.13Å; S171-V175 PolarHBondContact O-N 2.74Å
172	V	98.6	Very high	98.8	Very high	33 Å²	33	44.8 Å²	44.8	20%	0.2	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.3	177.2	65.4	0	0	0	0	112.4	Y81 W86 L96 T174	Y81-V172 HydrophobicContact CE1-CG2 3.81Å; W86-V172 HydrophobicContact CH2-CB 4.11Å; W86-V172 HydrophobicContact CZ2-CB 4Å; L96-V172 HydrophobicContact CD1-CG2 4.34Å; L96-V172 HydrophobicContact CD2-CG2 3.98Å; V172-T174 VanDerWaalsContact C-N 3.34Å
173	H	98.4	Very high	98.8	Very high	151 Å²	151	41.1 Å²	41.1	70%	0.699	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.2	-178.7	-55.2	-74.2	0	0	0	113.7	S171	S171-H173 PolarHBondContact O-N 3.13Å; S171-H173 PolarHBondContact OG-N 3.44Å
174	T	98.8	Very high	98.8	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.043	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-14	-170.3	51.8	0	0	0	0	114.4	F161 S168 S171 V172 E176 K177 T178	F161-T174 HydrophobicContact CB-CG2 4.06Å; F161-T174 HydrophobicContact CD1-CG2 3.72Å; F161-T174 HydrophobicContact CD2-CG2 3.7Å; F161-T174 HydrophobicContact CE1-CG2 4.04Å; F161-T174 HydrophobicContact CE2-CG2 4.03Å; F161-T174 HydrophobicContact CG-CG2 3.55Å; F161-T174 HydrophobicContact CZ-CG2 4.2Å; S168-T174 PolarHBondContact N-O 2.77Å; S168-T174 CarbonylContact O-C 3.34Å; S168-T174 PolarHBondContact O-OG1 2.95Å; S171-T174 WeakPolarHBondContact CB-OG1 3.21Å; S171-T174 PolarHBondContact O-N 2.7Å; S171-T174 VanDerWaalsContact O-N 3.16Å; S171-T174 PolarHBondContact O-OG1 3.13Å; V172-T174 VanDerWaalsContact C-N 3.34Å; T174-E176 PolarHBondContact O-N 3.03Å; T174-K177 HydrophobicContact CG2-CD 4.43Å; T174-K177 WeakPolarHBondContact O-CB 3.41Å; T174-K177 PolarHBondContact O-N 3.34Å; T174-K177 VanDerWaalsContact O-N 3.08Å; T174-T178 PolarHBondContact O-N 3.38Å; T174-T178 PolarHBondContact O-OG1 2.85Å
175	V	98.9	Very high	98.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-39.3	179.1	59.4	0	0	0	0	113	W86 V89 G90 L96 S168 N169 S171 K177 T178	W86-V175 HydrophobicContact CB-CG2 3.9Å; W86-V175 HydrophobicContact CG-CG2 4.37Å; W86-V175 WeakPolarHBondContact O-CG2 3.48Å; V89-V175 HydrophobicContact CB-CG2 3.84Å; V89-V175 HydrophobicContact CG1-CG1 4.43Å; V89-V175 HydrophobicContact CG1-CG2 3.91Å; G90-V175 WeakPolarHBondContact CA-O 3.4Å; L96-V175 HydrophobicContact CD1-CG1 3.73Å; L96-V175 HydrophobicContact CD2-CG1 4.19Å; S168-V175 VanDerWaalsContact O-CA 3.27Å; S168-V175 WeakPolarHBondContact O-CA 3.37Å; S168-V175 PolarHBondContact O-N 3.17Å; N169-V175 HydrophobicContact CB-CG2 4.41Å; S171-V175 PolarHBondContact O-N 2.74Å; V175-K177 VanDerWaalsContact C-N 3.31Å; V175-K177 PolarHBondContact O-N 2.67Å; V175-T178 WeakPolarHBondContact O-CB 3.34Å; V175-T178 PolarHBondContact O-N 3.46Å; V175-T178 PolarHBondContact O-OG1 3.19Å
176	E	98.8	Very high	98.8	Very high	71 Å²	71	40.9 Å²	40.9	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-73	-24	174.7	-66.4	-171.1	175.4	0	0	113	L96 T174 T178 W179 R180	L96-E176 HydrophobicContact CB-CG 4.4Å; L96-E176 WeakPolarHBondContact CB-OE1 3.49Å; L96-E176 HydrophobicContact CD2-CG 4.02Å; L96-E176 WeakPolarHBondContact CD2-OE1 3.37Å; T174-E176 PolarHBondContact O-N 3.03Å; E176-T178 VanDerWaalsContact C-N 3.31Å; E176-W179 PolarHBondContact O-N 3.21Å; E176-R180 WeakPolarHBondContact O-CG 3.36Å; E176-R180 PolarHBondContact O-N 3.11Å; E176-R180 IonicContact OE2-NH2 3.01Å; E176-R180 PolarHBondContact OE2-NH2 2.98Å
177	K	98.9	Very high	98.8	Very high	62 Å²	62	46 Å²	46	27%	0.27	21%	0.211	S	C	.	.	H	α-helix	trans	-68	-34.4	173.9	-61.6	177.5	173.1	-83.8	0	110.8	F161 I166 T174 V175 W179 R180 A181	F161-K177 HydrophobicContact CB-CD 4.22Å; F161-K177 WeakPolarHBondContact O-CD 3.37Å; F161-K177 WeakPolarHBondContact O-CE 3.39Å; F161-K177 PolarHBondContact O-NZ 3.46Å; I166-K177 WeakPolarHBondContact O-CB 3.26Å; T174-K177 HydrophobicContact CG2-CD 4.43Å; T174-K177 WeakPolarHBondContact O-CB 3.41Å; T174-K177 PolarHBondContact O-N 3.34Å; T174-K177 VanDerWaalsContact O-N 3.08Å; V175-K177 VanDerWaalsContact C-N 3.31Å; V175-K177 PolarHBondContact O-N 2.67Å; K177-W179 VanDerWaalsContact C-N 3.31Å; K177-W179 PolarHBondContact O-N 2.93Å; K177-R180 PolarHBondContact O-N 2.95Å; K177-A181 WeakPolarHBondContact O-CB 3.49Å; K177-A181 PolarHBondContact O-N 2.99Å
178	T	98.9	Very high	98.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.8	-44.9	170.4	-45.7	0	0	0	0	111.7	S168 N169 T174 V175 E176 L182 I208 M291	S168-T178 PolarHBondContact N-OG1 2.72Å; N169-T178 WeakPolarHBondContact OD1-CB 3.34Å; N169-T178 WeakPolarHBondContact OD1-CG2 3.33Å; N169-T178 PolarHBondContact OD1-OG1 3.04Å; T174-T178 PolarHBondContact O-N 3.38Å; T174-T178 PolarHBondContact O-OG1 2.85Å; V175-T178 WeakPolarHBondContact O-CB 3.34Å; V175-T178 PolarHBondContact O-N 3.46Å; V175-T178 PolarHBondContact O-OG1 3.19Å; E176-T178 VanDerWaalsContact C-N 3.31Å; T178-L182 WeakPolarHBondContact O-CB 3.38Å; T178-L182 PolarHBondContact O-N 3.37Å; T178-I208 HydrophobicContact CG2-CD1 4.07Å; T178-I208 HydrophobicContact CG2-CG1 3.88Å; T178-M291 HydrophobicContact CG2-CE 3.75Å
179	W	98.9	Very high	98.8	Very high	64 Å²	64	49.4 Å²	49.4	24%	0.242	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-44.8	-179.5	174.3	-129.6	0	0	0	111.7	G90 A91 G92 E176 K177 A181 L182 Q183 Y215	G90-W179 WeakPolarHBondContact O-CA 3.02Å; G90-W179 PolarHBondContact O-N 2.62Å; A91-W179 VanDerWaalsContact C-CE3 3.41Å; G92-W179 VanDerWaalsContact CA-CD2 3.42Å; G92-W179 VanDerWaalsContact CA-CE2 3.47Å; E176-W179 PolarHBondContact O-N 3.21Å; K177-W179 VanDerWaalsContact C-N 3.31Å; K177-W179 PolarHBondContact O-N 2.93Å; W179-A181 PolarHBondContact O-N 3Å; W179-L182 HydrophobicContact CE3-CB 4.17Å; W179-L182 HydrophobicContact CE3-CD2 3.96Å; W179-L182 HydrophobicContact CE3-CG 4.21Å; W179-L182 HydrophobicContact CZ3-CD2 3.95Å; W179-L182 HydrophobicContact CZ3-CG 4.13Å; W179-L182 WeakPolarHBondContact O-CB 3.27Å; W179-L182 PolarHBondContact O-N 2.87Å; W179-L182 VanDerWaalsContact O-N 3.16Å; W179-Q183 HydrophobicContact CD2-CG 3.9Å; W179-Q183 VanDerWaalsContact CE2-OE1 3.32Å; W179-Q183 HydrophobicContact CE3-CG 4.04Å; W179-Q183 HydrophobicContact CH2-CG 3.66Å; W179-Q183 VanDerWaalsContact CZ2-CD 3.47Å; W179-Q183 HydrophobicContact CZ2-CG 3.48Å; W179-Q183 VanDerWaalsContact CZ2-CG 3.48Å; W179-Q183 HydrophobicContact CZ3-CG 3.93Å; W179-Q183 WeakPolarHBondContact O-CG 3.25Å; W179-Q183 PolarHBondContact O-N 2.85Å; W179-Y215 HydrophobicContact CH2-CD2 4.22Å; W179-Y215 AromaticContact CH2-CE2 3.59Å; W179-Y215 HydrophobicContact CH2-CE2 3.59Å; W179-Y215 AromaticContact CH2-CZ 3.99Å; W179-Y215 HydrophobicContact CZ3-CD2 4.11Å; W179-Y215 AromaticContact CZ3-CE2 3.84Å; W179-Y215 HydrophobicContact CZ3-CE2 3.84Å
180	R	98.9	Very high	98.8	Very high	134 Å²	134	48.9 Å²	48.9	51%	0.506	23%	0.234	S	C	.	.	H	α-helix	trans	-58.7	-48.7	175.3	-64.6	172.1	-153.3	-167.6	6.3	111	E176 K177 L182 Q183 D184	E176-R180 WeakPolarHBondContact O-CG 3.36Å; E176-R180 PolarHBondContact O-N 3.11Å; E176-R180 IonicContact OE2-NH2 3.01Å; E176-R180 PolarHBondContact OE2-NH2 2.98Å; K177-R180 PolarHBondContact O-N 2.95Å; R180-L182 VanDerWaalsContact C-N 3.3Å; R180-L182 PolarHBondContact O-N 2.85Å; R180-Q183 PolarHBondContact O-N 3.33Å; R180-Q183 VanDerWaalsContact O-N 3.15Å; R180-D184 VanDerWaalsContact O-CB 3.3Å; R180-D184 WeakPolarHBondContact O-CB 3.05Å; R180-D184 VanDerWaalsContact O-CG 3.28Å; R180-D184 PolarHBondContact O-N 3.26Å
181	A	98.9	Very high	98.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-56.5	-40.5	174.7	0	0	0	0	0	113.1	K165 K177 W179 D184 F185 M291	K165-A181 WeakPolarHBondContact O-CB 3.25Å; K177-A181 WeakPolarHBondContact O-CB 3.49Å; K177-A181 PolarHBondContact O-N 2.99Å; W179-A181 PolarHBondContact O-N 3Å; A181-D184 PolarHBondContact O-N 3.44Å; A181-F185 WeakPolarHBondContact O-CB 3.46Å; A181-F185 PolarHBondContact O-N 3.39Å; A181-M291 HydrophobicContact CB-CG 4.11Å
182	L	98.8	Very high	98.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-40.5	177	179.5	53.4	0	0	0	112.8	T178 W179 R180 Y215 W216 M291	T178-L182 WeakPolarHBondContact O-CB 3.38Å; T178-L182 PolarHBondContact O-N 3.37Å; W179-L182 HydrophobicContact CE3-CB 4.17Å; W179-L182 HydrophobicContact CE3-CD2 3.96Å; W179-L182 HydrophobicContact CE3-CG 4.21Å; W179-L182 HydrophobicContact CZ3-CD2 3.95Å; W179-L182 HydrophobicContact CZ3-CG 4.13Å; W179-L182 WeakPolarHBondContact O-CB 3.27Å; W179-L182 PolarHBondContact O-N 2.87Å; W179-L182 VanDerWaalsContact O-N 3.16Å; R180-L182 VanDerWaalsContact C-N 3.3Å; R180-L182 PolarHBondContact O-N 2.85Å; L182-Y215 HydrophobicContact CD1-CD1 3.55Å; L182-Y215 HydrophobicContact CD1-CE1 4.28Å; L182-Y215 HydrophobicContact CD1-CG 4.16Å; L182-Y215 HydrophobicContact CD2-CD1 4.33Å; L182-Y215 HydrophobicContact CD2-CG 4.26Å; L182-Y215 HydrophobicContact CG-CD1 3.65Å; L182-Y215 HydrophobicContact CG-CE1 4.09Å; L182-Y215 HydrophobicContact CG-CG 4.08Å; L182-Y215 VanDerWaalsContact O-CE1 3.32Å; L182-Y215 WeakPolarHBondContact O-CE1 3.49Å; L182-W216 HydrophobicContact CD1-CD2 4.17Å; L182-W216 HydrophobicContact CD1-CH2 3.99Å; L182-W216 HydrophobicContact CD1-CZ2 3.3Å; L182-W216 PolarHBondContact O-NE1 3.22Å; L182-M291 HydrophobicContact CB-CE 4.08Å; L182-M291 HydrophobicContact CB-SD 4.06Å; L182-M291 HydrophobicContact CD1-SD 4.18Å
183	Q	98.8	Very high	98.8	Very high	80 Å²	80	45.8 Å²	45.8	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-66.7	-47	173.4	-66.5	-178.9	-91.6	0	0	111.8	W179 R180 K221	W179-Q183 HydrophobicContact CD2-CG 3.9Å; W179-Q183 VanDerWaalsContact CE2-OE1 3.32Å; W179-Q183 HydrophobicContact CE3-CG 4.04Å; W179-Q183 HydrophobicContact CH2-CG 3.66Å; W179-Q183 VanDerWaalsContact CZ2-CD 3.47Å; W179-Q183 HydrophobicContact CZ2-CG 3.48Å; W179-Q183 VanDerWaalsContact CZ2-CG 3.48Å; W179-Q183 HydrophobicContact CZ3-CG 3.93Å; W179-Q183 WeakPolarHBondContact O-CG 3.25Å; W179-Q183 PolarHBondContact O-N 2.85Å; R180-Q183 PolarHBondContact O-N 3.33Å; R180-Q183 VanDerWaalsContact O-N 3.15Å; Q183-K221 PolarHBondContact O-NZ 2.7Å
184	D	98.8	Very high	98.8	Very high	83 Å²	83	39.1 Å²	39.1	44%	0.444	18%	0.184	S	C	.	.	H	α-helix	trans	-72.9	-29.9	-171.2	-72.7	-33.5	0	0	0	113	R180 A181 K186	R180-D184 VanDerWaalsContact O-CB 3.3Å; R180-D184 WeakPolarHBondContact O-CB 3.05Å; R180-D184 VanDerWaalsContact O-CG 3.28Å; R180-D184 PolarHBondContact O-N 3.26Å; A181-D184 PolarHBondContact O-N 3.44Å; D184-K186 VanDerWaalsContact O-CD 3.25Å; D184-K186 WeakPolarHBondContact O-CD 3.44Å; D184-K186 VanDerWaalsContact O-CE 3.27Å; D184-K186 WeakPolarHBondContact O-CE 3.45Å; D184-K186 PolarHBondContact O-N 3.15Å; D184-K186 PolarHBondContact O-NZ 2.82Å
185	F	98.9	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.			trans	-36.7	124	175.7	-176.4	-78.9	0	0	0	112.7	A181 A190 W216 K221 A225 E290 M291	A181-F185 WeakPolarHBondContact O-CB 3.46Å; A181-F185 PolarHBondContact O-N 3.39Å; F185-A190 HydrophobicContact CE2-CB 3.93Å; F185-W216 HydrophobicContact CB-CZ2 3.95Å; F185-W216 HydrophobicContact CD1-CD2 4.48Å; F185-W216 AromaticContact CD1-CE2 3.8Å; F185-W216 HydrophobicContact CD1-CZ2 4.18Å; F185-W216 AromaticContact CD1-NE1 3.54Å; F185-W216 HydrophobicContact CD2-CH2 4.15Å; F185-W216 AromaticContact CD2-CZ2 3.52Å; F185-W216 HydrophobicContact CD2-CZ2 3.52Å; F185-W216 HydrophobicContact CE2-CH2 4.37Å; F185-W216 HydrophobicContact CE2-CZ2 4.1Å; F185-W216 AromaticContact CG-CE2 3.65Å; F185-W216 AromaticContact CG-CZ2 3.6Å; F185-W216 HydrophobicContact CG-CZ2 3.6Å; F185-W216 AromaticContact CG-NE1 3.57Å; F185-K221 HydrophobicContact CD1-CD 4.42Å; F185-K221 WeakPolarHBondContact O-CD 3.34Å; F185-K221 WeakPolarHBondContact O-CE 3.45Å; F185-K221 PolarHBondContact O-NZ 3.39Å; F185-A225 HydrophobicContact CE1-CB 3.87Å; F185-A225 HydrophobicContact CZ-CB 3.75Å; F185-E290 HydrophobicContact CB-CG 4.42Å; F185-E290 HydrophobicContact CD1-CG 4.35Å; F185-E290 HydrophobicContact CD2-CB 3.88Å; F185-E290 HydrophobicContact CD2-CG 3.35Å; F185-E290 HydrophobicContact CE1-CG 4.41Å; F185-E290 HydrophobicContact CE2-CB 3.57Å; F185-E290 HydrophobicContact CE2-CG 3.44Å; F185-E290 VanDerWaalsContact CE2-CG 3.44Å; F185-E290 HydrophobicContact CG-CG 3.81Å; F185-E290 HydrophobicContact CZ-CB 4.24Å; F185-E290 HydrophobicContact CZ-CG 3.96Å; F185-M291 HydrophobicContact CD2-CB 3.83Å; F185-M291 HydrophobicContact CE2-CB 4.46Å
186	K	98.4	Very high	98.8	Very high	127 Å²	127	43.2 Å²	43.2	55%	0.552	21%	0.206	S	C	*	.			trans	-101.3	-63.3	173.9	-50.5	-55.6	-177.6	-130.3	0	111	D184 E290	D184-K186 VanDerWaalsContact O-CD 3.25Å; D184-K186 WeakPolarHBondContact O-CD 3.44Å; D184-K186 VanDerWaalsContact O-CE 3.27Å; D184-K186 WeakPolarHBondContact O-CE 3.45Å; D184-K186 PolarHBondContact O-N 3.15Å; D184-K186 PolarHBondContact O-NZ 2.82Å; K186-E290 PolarHBondContact N-OE1 3.42Å
187	E	98.7	Very high	98.8	Very high	107 Å²	107	41.8 Å²	41.8	50%	0.5	20%	0.202	S	C	.	.	S	Bend	trans	-165.1	142.4	-169.1	-176.2	153.9	-147.1	0	0	111.1	K224 E290	E187-K224 CarbonylContact C-O 3.58Å; E187-K224 WeakPolarHBondContact CA-O 3.05Å; E187-K224 HydrophobicContact CB-CB 3.97Å; E187-K224 HydrophobicContact CB-CD 4.29Å; E187-K224 HydrophobicContact CB-CG 4.45Å; E187-K224 HydrophobicContact CG-CB 3.85Å; E187-K224 HydrophobicContact CG-CD 4.41Å; E187-K224 HydrophobicContact CG-CG 4.17Å; E187-K224 IonicContact OE1-NZ 2.93Å; E187-K224 PolarHBondContact OE1-NZ 3.42Å; E187-K224 IonicContact OE2-NZ 2.6Å; E187-K224 PolarHBondContact OE2-NZ 2.8Å; E187-E290 WeakPolarHBondContact O-CB 3.46Å; E187-E290 VanDerWaalsContact O-CG 3.26Å; E187-E290 WeakPolarHBondContact O-CG 3.47Å
188	G	98.7	Very high	98.7	Very high	30 Å²	30	42.1 Å²	42.1	31%	0.309	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	123.6	-150	178.9	0	0	0	0	0	113.7	K224 N226	G188-K224 PolarHBondContact N-O 2.71Å; G188-N226 PolarHBondContact O-N 3.37Å
189	N	98.9	Very high	98.7	Very high	44 Å²	44	42.8 Å²	42.8	24%	0.235	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.6	-174.9	-63.4	-29.1	0	0	0	112.2	I191 N226 Q288 E290 M291	N189-I191 HydrophobicContact CB-CD1 4.33Å; N189-I191 HydrophobicContact CB-CG1 4.08Å; N189-N226 CarbonylContact C-O 3.59Å; N189-N226 WeakPolarHBondContact CA-O 3.34Å; N189-N226 WeakPolarHBondContact OD1-CB 3.44Å; N189-N226 PolarHBondContact OD1-ND2 3.37Å; N189-Q288 VanDerWaalsContact CB-O 3.31Å; N189-Q288 WeakPolarHBondContact CB-O 3.41Å; N189-Q288 PolarHBondContact ND2-O 3.4Å; N189-E290 PolarHBondContact O-N 2.94Å; N189-M291 PolarHBondContact O-N 3.46Å; N189-M291 VanDerWaalsContact O-N 3.08Å
190	A	98.9	Very high	98.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	102.3	168.7	0	0	0	0	0	109.2	F185 F192 W216 N226 I227 V228 M291	F185-A190 HydrophobicContact CE2-CB 3.93Å; A190-F192 HydrophobicContact CB-CE2 3.92Å; A190-F192 WeakPolarHBondContact O-CD2 3.15Å; A190-F192 WeakPolarHBondContact O-CE2 3.37Å; A190-W216 HydrophobicContact CB-CH2 3.25Å; A190-W216 HydrophobicContact CB-CZ2 4.26Å; A190-W216 HydrophobicContact CB-CZ3 3.42Å; A190-W216 VanDerWaalsContact CB-CZ3 3.42Å; A190-N226 PolarHBondContact N-O 3.07Å; A190-I227 HydrophobicContact CB-CG1 4.35Å; A190-V228 PolarHBondContact O-N 3.31Å; A190-M291 CarbonylContact C-O 3.6Å; A190-M291 WeakPolarHBondContact CA-O 3.28Å; A190-M291 HydrophobicContact CB-CB 4.48Å
191	I	99	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.4	-171.3	-50.6	-175	0	0	0	110.4	N189 T193 V228 F275 H287 M291 L292 H293	N189-I191 HydrophobicContact CB-CD1 4.33Å; N189-I191 HydrophobicContact CB-CG1 4.08Å; I191-T193 HydrophobicContact CG2-CG2 4.36Å; I191-V228 WeakPolarHBondContact CA-O 3.11Å; I191-V228 HydrophobicContact CG1-CB 4.49Å; I191-F275 HydrophobicContact CG2-CE2 4.19Å; I191-F275 HydrophobicContact CG2-CZ 3.71Å; I191-H287 HydrophobicContact CD1-CB 3.68Å; I191-M291 PolarHBondContact N-O 3.28Å; I191-L292 HydrophobicContact CB-CD1 3.95Å; I191-L292 HydrophobicContact CG2-CD1 4.02Å; I191-L292 CarbonylContact O-C 3.58Å; I191-L292 WeakPolarHBondContact O-CA 3.46Å; I191-H293 PolarHBondContact O-N 3.43Å
192	F	98.9	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.3	177.9	-60	-94	0	0	0	108.4	A190 I208 M209 W216 I227 V228 F229 N230 M291 H293	A190-F192 HydrophobicContact CB-CE2 3.92Å; A190-F192 WeakPolarHBondContact O-CD2 3.15Å; A190-F192 WeakPolarHBondContact O-CE2 3.37Å; F192-I208 HydrophobicContact CD1-CG2 4.02Å; F192-I208 HydrophobicContact CE1-CG1 4.21Å; F192-I208 HydrophobicContact CE1-CG2 4.28Å; F192-M209 HydrophobicContact CB-CB 4.2Å; F192-M209 HydrophobicContact CD1-CB 3.8Å; F192-M209 HydrophobicContact CD2-CB 3.76Å; F192-M209 HydrophobicContact CD2-CG 3.71Å; F192-M209 HydrophobicContact CE1-CB 4.16Å; F192-M209 HydrophobicContact CE2-CB 4.11Å; F192-M209 HydrophobicContact CE2-CG 4.02Å; F192-M209 HydrophobicContact CG-CB 3.63Å; F192-M209 HydrophobicContact CG-CG 4.08Å; F192-M209 HydrophobicContact CZ-CB 4.31Å; F192-W216 HydrophobicContact CZ-CH2 4.22Å; F192-W216 HydrophobicContact CZ-CZ3 4.46Å; F192-I227 HydrophobicContact CD2-CG2 4.36Å; F192-I227 HydrophobicContact CE2-CG2 4.07Å; F192-V228 PolarHBondContact N-O 3.17Å; F192-F229 HydrophobicContact CB-CD2 3.89Å; F192-F229 WeakPolarHBondContact O-CA 3.43Å; F192-F229 WeakPolarHBondContact O-CD2 3.44Å; F192-N230 PolarHBondContact O-N 2.99Å; F192-M291 HydrophobicContact CE1-CE 4.15Å; F192-M291 HydrophobicContact CZ-CE 4.28Å; F192-M291 HydrophobicContact CZ-SD 4.36Å; F192-H293 HydrophobicContact CD1-CB 3.53Å; F192-H293 HydrophobicContact CE1-CB 3.86Å; F192-H293 HydrophobicContact CG-CB 4.41Å
193	T	98.9	Very high	98.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.9	-172	75.7	0	0	0	0	114.6	I191 P205 N230 L263 F275 L292 H293 T295	I191-T193 HydrophobicContact CG2-CG2 4.36Å; T193-P205 WeakPolarHBondContact O-CB 3.21Å; T193-N230 VanDerWaalsContact CA-O 3.31Å; T193-N230 WeakPolarHBondContact CA-O 3.48Å; T193-L263 HydrophobicContact CG2-CB 4.2Å; T193-L263 HydrophobicContact CG2-CD2 4Å; T193-F275 HydrophobicContact CG2-CE1 3.65Å; T193-F275 HydrophobicContact CG2-CZ 3.71Å; T193-L292 HydrophobicContact CG2-CD1 3.98Å; T193-H293 PolarHBondContact N-O 3.38Å; T193-H293 VanDerWaalsContact N-O 3.11Å; T193-T295 WeakPolarHBondContact O-CB 3.43Å; T193-T295 PolarHBondContact O-OG1 3.25Å; T193-T295 PolarHBondContact OG1-N 3.36Å
194	F	98.9	Very high	98.2	Very high	11 Å²	11	34 Å²	34	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.7	167.9	-171.2	-68	0	0	0	109.9	V199 A202 P205 F229 N230 T231 S232 L233	F194-V199 HydrophobicContact CE1-CG2 4.38Å; F194-V199 HydrophobicContact CE2-CG2 3.8Å; F194-V199 HydrophobicContact CZ-CG1 4.44Å; F194-V199 HydrophobicContact CZ-CG2 3.51Å; F194-A202 HydrophobicContact CE2-CB 3.97Å; F194-A202 WeakPolarHBondContact CE2-O 3.48Å; F194-A202 HydrophobicContact CZ-CB 4.24Å; F194-P205 HydrophobicContact CD2-CB 4.43Å; F194-P205 HydrophobicContact CD2-CG 3.89Å; F194-P205 HydrophobicContact CE2-CG 4.49Å; F194-F229 HydrophobicContact CB-CE2 4.12Å; F194-F229 HydrophobicContact CB-CZ 3.86Å; F194-F229 HydrophobicContact CD2-CZ 4.38Å; F194-N230 PolarHBondContact N-O 3.04Å; F194-T231 WeakPolarHBondContact CB-OG1 3.18Å; F194-S232 WeakPolarHBondContact O-CB 3.26Å; F194-S232 PolarHBondContact O-N 2.98Å; F194-S232 PolarHBondContact O-OG 2.88Å; F194-L233 HydrophobicContact CD1-CD1 4.29Å; F194-L233 HydrophobicContact CD1-CD2 4.42Å; F194-L233 HydrophobicContact CD1-CG 3.93Å; F194-L233 HydrophobicContact CE1-CD1 3.84Å; F194-L233 HydrophobicContact CE1-CD2 3.85Å; F194-L233 HydrophobicContact CE1-CG 3.71Å; F194-L233 HydrophobicContact CE2-CD1 4.12Å; F194-L233 HydrophobicContact CZ-CD1 3.75Å; F194-L233 HydrophobicContact CZ-CD2 4.42Å; F194-L233 HydrophobicContact CZ-CG 4.16Å
195	P	98.9	Very high	98.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.013	17%	0.17	C	C	.	.			trans	-79.1	162.8	-170.2	36.3	-41.4	0	0	0	113.2	T197 V199 S232 N262 T295 P296 P297	P195-T197 PolarHBondContact O-N 3.48Å; P195-V199 HydrophobicContact CG-CG1 3.56Å; P195-S232 WeakPolarHBondContact O-CB 3.44Å; P195-N262 WeakPolarHBondContact CA-OD1 3.35Å; P195-T295 VanDerWaalsContact CD-CG2 3.48Å; P195-T295 HydrophobicContact CG-CG2 4.11Å; P195-P296 WeakPolarHBondContact CG-O 3.5Å; P195-P297 HydrophobicContact CB-CB 4.34Å; P195-P297 HydrophobicContact CB-CG 4.04Å
196	N	98.6	Very high	98.2	Very high	90 Å²	90	30.2 Å²	30.2	48%	0.481	17%	0.171	S	C	.	.	S	Bend	trans	-80.4	48.4	175.6	-162.3	24.8	0	0	0	112.6	S232 N262 L278	N196-S232 PolarHBondContact N-OG 2.92Å; N196-N262 HydrophobicContact CB-CB 4.22Å; N196-N262 PolarHBondContact N-OD1 2.85Å; N196-N262 VanDerWaalsContact N-OD1 3.15Å; N196-L278 HydrophobicContact CB-CD1 4.22Å
197	T	98.4	Very high	98.2	Very high	42 Å²	42	24.5 Å²	24.5	26%	0.258	15%	0.146	S	C	.	.	S	Bend	trans	-142.5	164.8	-179.3	69	0	0	0	0	111.7	P195 P297 M298	P195-T197 PolarHBondContact O-N 3.48Å; T197-P297 HydrophobicContact CG2-CB 3.83Å; T197-M298 WeakPolarHBondContact CB-O 3.28Å; T197-M298 PolarHBondContact OG1-N 2.66Å; T197-M298 PolarHBondContact OG1-O 3Å
198	P	97.4	Very high	98.2	Very high	69 Å²	69	19.4 Å²	19.4	45%	0.448	12%	0.122	S	C	.	.			trans	-53.1	149.5	156.6	-23.5	35.4	0	0	0	110.9	M298 W315	P198-M298 WeakPolarHBondContact O-CB 3.44Å; P198-W315 HydrophobicContact CB-CH2 4.43Å; P198-W315 HydrophobicContact CB-CZ2 4.01Å; P198-W315 HydrophobicContact CG-CZ2 4.02Å
199	V	98	Very high	98.2	Very high	13 Å²	13	18 Å²	18	8%	0.079	11%	0.108	C	C	.	.			trans	-143.2	154	178.3	-63.6	0	0	0	0	111.7	F194 P195 A202 T295 M298	F194-V199 HydrophobicContact CE1-CG2 4.38Å; F194-V199 HydrophobicContact CE2-CG2 3.8Å; F194-V199 HydrophobicContact CZ-CG1 4.44Å; F194-V199 HydrophobicContact CZ-CG2 3.51Å; P195-V199 HydrophobicContact CG-CG1 3.56Å; V199-A202 HydrophobicContact CG2-CB 3.91Å; V199-T295 HydrophobicContact CG1-CG2 4.39Å; V199-M298 HydrophobicContact CB-CE 3.84Å; V199-M298 HydrophobicContact CB-SD 3.81Å; V199-M298 HydrophobicContact CG1-CE 3.77Å; V199-M298 HydrophobicContact CG1-CG 4.2Å; V199-M298 HydrophobicContact CG1-SD 4.01Å
200	K	97.4	Very high	98.2	Very high	24 Å²	24	15.9 Å²	15.9	10%	0.104	10%	0.097	C	C	.	.	S	Bend	trans	-76.1	136	164.4	64.3	-176.2	165.9	-168.7	0	110.7	I147 Y170 M298 D336 K344	I147-K200 HydrophobicContact CG2-CB 4.17Å; I147-K200 HydrophobicContact CG2-CD 3.64Å; I147-K200 HydrophobicContact CG2-CG 4.02Å; Y170-K200 HydrophobicContact CD1-CG 4.25Å; Y170-K200 HydrophobicContact CE1-CG 3.95Å; Y170-K200 WeakPolarHBondContact CE1-O 3.41Å; Y170-K200 PolarHBondContact OH-O 3.42Å; K200-M298 HydrophobicContact CG-SD 4Å; K200-D336 WeakPolarHBondContact CB-OD2 3.24Å; K200-K344 WeakPolarHBondContact CA-O 3.3Å
201	C	95.9	Very high	98.2	Very high	33 Å²	33	15.9 Å²	15.9	22%	0.223	10%	0.097	C	C	.	.	S	Bend	trans	46.5	70.7	-178.3	-161.5	0	0	0	0	113.9	Y170 G203 A204 K207 K344	Y170-C201 PolarHBondContact OH-O 3.05Å; C201-G203 PolarHBondContact O-N 2.88Å; C201-A204 HydrophobicContact CB-CB 4.32Å; C201-A204 WeakPolarHBondContact O-CB 3.21Å; C201-A204 PolarHBondContact O-N 2.81Å; C201-K207 PolarHBondContact SG-NZ 3.29Å; C201-K207 VanDerWaalsContact SG-NZ 3.4Å; C201-K344 PolarHBondContact N-O 2.89Å
202	A	95.6	Very high	98.2	Very high	29 Å²	29	15.9 Å²	15.9	24%	0.24	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-21.6	-176.1	0	0	0	0	0	116.2	F194 V199 P205	F194-A202 HydrophobicContact CE2-CB 3.97Å; F194-A202 WeakPolarHBondContact CE2-O 3.48Å; F194-A202 HydrophobicContact CZ-CB 4.24Å; V199-A202 HydrophobicContact CG2-CB 3.91Å; A202-P205 VanDerWaalsContact O-CD 3.29Å; A202-P205 WeakPolarHBondContact O-CD 3.33Å
203	G	97.1	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-16.7	172.4	0	0	0	0	0	114.9	C201 Q206 K207	C201-G203 PolarHBondContact O-N 2.88Å; G203-Q206 WeakPolarHBondContact O-CG 3.43Å; G203-Q206 PolarHBondContact O-N 3.22Å; G203-K207 VanDerWaalsContact C-CE 3.42Å; G203-K207 WeakPolarHBondContact O-CE 3.42Å; G203-K207 VanDerWaalsContact O-CG 3.26Å; G203-K207 WeakPolarHBondContact O-CG 3.31Å; G203-K207 PolarHBondContact O-N 3.23Å; G203-K207 VanDerWaalsContact O-N 3.07Å
204	A	98	Very high	98.2	Very high	10 Å²	10	16.7 Å²	16.7	8%	0.083	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-30.5	-174.6	0	0	0	0	0	116.1	C201 K207 I208	C201-A204 HydrophobicContact CB-CB 4.32Å; C201-A204 WeakPolarHBondContact O-CB 3.21Å; C201-A204 PolarHBondContact O-N 2.81Å; A204-K207 PolarHBondContact O-N 3.39Å; A204-I208 PolarHBondContact O-N 2.78Å
205	P	98.8	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-40.1	176.3	-25.2	38.5	0	0	0	113.3	Y170 T193 F194 A202 I208 F229 T295	Y170-P205 HydrophobicContact CE2-CG 4.21Å; Y170-P205 WeakPolarHBondContact OH-CD 3.29Å; T193-P205 WeakPolarHBondContact O-CB 3.21Å; F194-P205 HydrophobicContact CD2-CB 4.43Å; F194-P205 HydrophobicContact CD2-CG 3.89Å; F194-P205 HydrophobicContact CE2-CG 4.49Å; A202-P205 VanDerWaalsContact O-CD 3.29Å; A202-P205 WeakPolarHBondContact O-CD 3.33Å; P205-I208 WeakPolarHBondContact O-CG2 3.41Å; P205-F229 HydrophobicContact CB-CE2 3.88Å; P205-F229 HydrophobicContact CB-CZ 4.22Å; P205-T295 VanDerWaalsContact CB-OG1 3.31Å; P205-T295 WeakPolarHBondContact CB-OG1 3.48Å; P205-T295 HydrophobicContact CG-CG2 3.93Å; P205-T295 WeakPolarHBondContact CG-OG1 3.42Å
206	Q	98.7	Very high	98.2	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-79.9	-27.7	176.5	57	179.8	-84.8	0	0	112.7	G203 I208 M209 Y210 F229 I236 L381	G203-Q206 WeakPolarHBondContact O-CG 3.43Å; G203-Q206 PolarHBondContact O-N 3.22Å; Q206-I208 VanDerWaalsContact C-N 3.32Å; Q206-I208 PolarHBondContact O-N 2.97Å; Q206-M209 HydrophobicContact CB-CE 4.15Å; Q206-M209 WeakPolarHBondContact O-CB 3.16Å; Q206-M209 PolarHBondContact O-N 3.35Å; Q206-Y210 HydrophobicContact CB-CE2 3.86Å; Q206-Y210 HydrophobicContact CG-CE2 4.03Å; Q206-Y210 WeakPolarHBondContact O-CD2 3.28Å; Q206-Y210 WeakPolarHBondContact O-CE2 3.45Å; Q206-Y210 PolarHBondContact O-N 3.38Å; Q206-Y210 PolarHBondContact OE1-OH 3.2Å; Q206-F229 HydrophobicContact CB-CE1 4.41Å; Q206-F229 HydrophobicContact CB-CZ 4.32Å; Q206-I236 PolarHBondContact NE2-O 2.99Å; Q206-L381 HydrophobicContact CG-CD2 4.47Å
207	K	98.9	Very high	98.2	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.03	10%	0.104	C	C	.	.	H	α-helix	trans	-58.1	-43.2	174.5	-71.6	172.3	-143.9	-168.8	0	112.7	T87 C201 G203 A204 Y210 L211 C379 P380 V382	T87-K207 HydrophobicContact CG2-CB 3.51Å; T87-K207 HydrophobicContact CG2-CD 4.08Å; T87-K207 HydrophobicContact CG2-CG 4.4Å; C201-K207 PolarHBondContact SG-NZ 3.29Å; C201-K207 VanDerWaalsContact SG-NZ 3.4Å; G203-K207 VanDerWaalsContact C-CE 3.42Å; G203-K207 WeakPolarHBondContact O-CE 3.42Å; G203-K207 VanDerWaalsContact O-CG 3.26Å; G203-K207 WeakPolarHBondContact O-CG 3.31Å; G203-K207 PolarHBondContact O-N 3.23Å; G203-K207 VanDerWaalsContact O-N 3.07Å; A204-K207 PolarHBondContact O-N 3.39Å; K207-Y210 PolarHBondContact O-N 2.89Å; K207-L211 WeakPolarHBondContact O-CB 3.46Å; K207-L211 WeakPolarHBondContact O-CD1 3.37Å; K207-L211 WeakPolarHBondContact O-CG 3.46Å; K207-L211 PolarHBondContact O-N 2.88Å; K207-L211 VanDerWaalsContact O-N 3.07Å; K207-C379 VanDerWaalsContact CE-SG 3.51Å; K207-C379 PolarHBondContact NZ-SG 3.37Å; K207-P380 WeakPolarHBondContact CD-O 3.48Å; K207-P380 WeakPolarHBondContact CE-O 3.37Å; K207-P380 PolarHBondContact NZ-O 3.28Å; K207-V382 WeakPolarHBondContact CA-O 3.28Å; K207-V382 HydrophobicContact CB-CB 4.37Å; K207-V382 HydrophobicContact CD-CG2 4.44Å; K207-V382 HydrophobicContact CG-CB 4.33Å
208	I	98.9	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.4	-35.4	177.7	-178.4	63.3	0	0	0	111.4	A91 N169 T178 F192 A204 P205 Q206 L211 S212	A91-I208 HydrophobicContact CB-CD1 3.94Å; N169-I208 WeakPolarHBondContact ND2-CB 3.22Å; N169-I208 VanDerWaalsContact ND2-CG1 3.34Å; N169-I208 WeakPolarHBondContact ND2-CG1 3.41Å; T178-I208 HydrophobicContact CG2-CD1 4.07Å; T178-I208 HydrophobicContact CG2-CG1 3.88Å; F192-I208 HydrophobicContact CD1-CG2 4.02Å; F192-I208 HydrophobicContact CE1-CG1 4.21Å; F192-I208 HydrophobicContact CE1-CG2 4.28Å; A204-I208 PolarHBondContact O-N 2.78Å; P205-I208 WeakPolarHBondContact O-CG2 3.41Å; Q206-I208 VanDerWaalsContact C-N 3.32Å; Q206-I208 PolarHBondContact O-N 2.97Å; I208-L211 HydrophobicContact CD1-CB 4.47Å; I208-L211 PolarHBondContact O-N 3.44Å; I208-S212 WeakPolarHBondContact O-CB 3.23Å; I208-S212 PolarHBondContact O-N 2.97Å; I208-S212 PolarHBondContact O-OG 3.17Å
209	M	98.9	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.4	-50.5	170	177.4	-170.4	72.9	0	0	112.3	F192 Q206 L211 S212 E213 I227 F229 I255	F192-M209 HydrophobicContact CB-CB 4.2Å; F192-M209 HydrophobicContact CD1-CB 3.8Å; F192-M209 HydrophobicContact CD2-CB 3.76Å; F192-M209 HydrophobicContact CD2-CG 3.71Å; F192-M209 HydrophobicContact CE1-CB 4.16Å; F192-M209 HydrophobicContact CE2-CB 4.11Å; F192-M209 HydrophobicContact CE2-CG 4.02Å; F192-M209 HydrophobicContact CG-CB 3.63Å; F192-M209 HydrophobicContact CG-CG 4.08Å; F192-M209 HydrophobicContact CZ-CB 4.31Å; Q206-M209 HydrophobicContact CB-CE 4.15Å; Q206-M209 WeakPolarHBondContact O-CB 3.16Å; Q206-M209 PolarHBondContact O-N 3.35Å; M209-L211 VanDerWaalsContact C-N 3.31Å; M209-L211 PolarHBondContact O-N 3.06Å; M209-S212 PolarHBondContact O-N 3.36Å; M209-E213 WeakPolarHBondContact O-CB 3.39Å; M209-E213 PolarHBondContact O-N 3.12Å; M209-I227 HydrophobicContact CG-CG2 3.72Å; M209-I227 HydrophobicContact SD-CG2 4.34Å; M209-F229 HydrophobicContact SD-CB 3.69Å; M209-F229 HydrophobicContact SD-CG 4.24Å; M209-I255 HydrophobicContact CE-CD1 4.05Å; M209-I255 HydrophobicContact CE-CG2 3.94Å; M209-I255 HydrophobicContact SD-CD1 4.44Å; M209-I255 HydrophobicContact SD-CG2 3.54Å; M209-I255 VanDerWaalsContact SD-CG2 3.54Å
210	Y	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-34.8	178.4	-56.3	-53.8	0	0	0	112.6	Q206 K207 A214 L246 I249 I250 I255 T383	Q206-Y210 HydrophobicContact CB-CE2 3.86Å; Q206-Y210 HydrophobicContact CG-CE2 4.03Å; Q206-Y210 WeakPolarHBondContact O-CD2 3.28Å; Q206-Y210 WeakPolarHBondContact O-CE2 3.45Å; Q206-Y210 PolarHBondContact O-N 3.38Å; Q206-Y210 PolarHBondContact OE1-OH 3.2Å; K207-Y210 PolarHBondContact O-N 2.89Å; Y210-A214 WeakPolarHBondContact O-CB 3.29Å; Y210-A214 PolarHBondContact O-N 3.49Å; Y210-L246 HydrophobicContact CE2-CD2 3.73Å; Y210-I249 HydrophobicContact CD1-CG2 3.88Å; Y210-I249 HydrophobicContact CE1-CG2 3.76Å; Y210-I250 HydrophobicContact CE1-CG1 4.19Å; Y210-I255 HydrophobicContact CD1-CD1 4.02Å; Y210-I255 HydrophobicContact CE1-CD1 4.17Å; Y210-T383 HydrophobicContact CD2-CG2 4.06Å; Y210-T383 HydrophobicContact CE2-CG2 4.39Å
211	L	98.9	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.9	-35.8	173.8	-76.8	162.5	0	0	0	112.7	T87 L88 A91 K207 I208 M209 Y215 V382 Y385	T87-L211 HydrophobicContact CG2-CD1 3.98Å; L88-L211 HydrophobicContact CD2-CD1 4.21Å; A91-L211 HydrophobicContact CB-CB 3.89Å; A91-L211 HydrophobicContact CB-CD1 3.81Å; A91-L211 HydrophobicContact CB-CD2 4.36Å; A91-L211 HydrophobicContact CB-CG 4.24Å; K207-L211 WeakPolarHBondContact O-CB 3.46Å; K207-L211 WeakPolarHBondContact O-CD1 3.37Å; K207-L211 WeakPolarHBondContact O-CG 3.46Å; K207-L211 PolarHBondContact O-N 2.88Å; K207-L211 VanDerWaalsContact O-N 3.07Å; I208-L211 HydrophobicContact CD1-CB 4.47Å; I208-L211 PolarHBondContact O-N 3.44Å; M209-L211 VanDerWaalsContact C-N 3.31Å; M209-L211 PolarHBondContact O-N 3.06Å; L211-Y215 WeakPolarHBondContact O-CB 3.4Å; L211-Y215 PolarHBondContact O-N 3.03Å; L211-V382 HydrophobicContact CD1-CB 4.26Å; L211-V382 HydrophobicContact CD1-CG1 3.82Å; L211-V382 HydrophobicContact CD2-CG1 3.78Å; L211-V382 HydrophobicContact CG-CG1 3.88Å; L211-Y385 HydrophobicContact CD2-CD1 3.99Å; L211-Y385 HydrophobicContact CD2-CD2 4.18Å; L211-Y385 HydrophobicContact CD2-CE1 3.92Å; L211-Y385 HydrophobicContact CD2-CE2 4.11Å; L211-Y385 HydrophobicContact CD2-CG 4.09Å; L211-Y385 WeakPolarHBondContact O-CE2 3.45Å; L211-Y385 PolarHBondContact O-OH 3Å; L211-Y385 VanDerWaalsContact O-OH 3.06Å
212	S	98.9	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.4	-43.9	175	-64.9	0	0	0	0	111.4	I208 M209 A214 Y215 W216	I208-S212 WeakPolarHBondContact O-CB 3.23Å; I208-S212 PolarHBondContact O-N 2.97Å; I208-S212 PolarHBondContact O-OG 3.17Å; M209-S212 PolarHBondContact O-N 3.36Å; S212-A214 PolarHBondContact O-N 3.48Å; S212-Y215 WeakPolarHBondContact O-CB 3.42Å; S212-Y215 PolarHBondContact O-N 3.14Å; S212-Y215 VanDerWaalsContact O-N 3.12Å; S212-W216 VanDerWaalsContact O-CD2 3.29Å; S212-W216 VanDerWaalsContact O-CE3 3.23Å; S212-W216 PolarHBondContact O-N 3.29Å
213	E	98.9	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-49.2	174.4	-163.9	-79	158.1	0	0	111.5	M209 Y215 W216 R217 R222 I227 R253 I255	M209-E213 WeakPolarHBondContact O-CB 3.39Å; M209-E213 PolarHBondContact O-N 3.12Å; E213-Y215 VanDerWaalsContact C-N 3.28Å; E213-Y215 PolarHBondContact O-N 2.67Å; E213-W216 PolarHBondContact O-N 2.85Å; E213-R217 VanDerWaalsContact CD-NE 3.26Å; E213-R217 PolarHBondContact O-N 3.37Å; E213-R217 IonicContact OE1-CZ 3.32Å; E213-R217 IonicContact OE1-NE 2.76Å; E213-R217 PolarHBondContact OE1-NE 2.76Å; E213-R217 IonicContact OE1-NH2 2.75Å; E213-R217 PolarHBondContact OE1-NH2 2.89Å; E213-R217 IonicContact OE2-CZ 3.97Å; E213-R217 IonicContact OE2-NE 3.03Å; E213-R217 PolarHBondContact OE2-NE 3.08Å; E213-R217 IonicContact OE2-NH2 2.74Å; E213-R222 WeakPolarHBondContact OE1-CD 3.47Å; E213-R222 IonicContact OE1-CZ 4Å; E213-R222 IonicContact OE1-NE 2.91Å; E213-R222 PolarHBondContact OE1-NE 3.27Å; E213-I227 HydrophobicContact CB-CD1 3.71Å; E213-I227 HydrophobicContact CG-CD1 3.43Å; E213-I227 VanDerWaalsContact CG-CD1 3.43Å; E213-R253 HydrophobicContact CG-CB 4.43Å; E213-R253 WeakPolarHBondContact OE2-CD 3.22Å; E213-I255 HydrophobicContact CG-CD1 4.23Å; E213-I255 HydrophobicContact CG-CG1 4.41Å
214	A	98.8	Very high	98.7	Very high	18 Å²	18	36.9 Å²	36.9	15%	0.149	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-30.7	176.5	0	0	0	0	0	113.1	Y210 S212 K218 Y385	Y210-A214 WeakPolarHBondContact O-CB 3.29Å; Y210-A214 PolarHBondContact O-N 3.49Å; S212-A214 PolarHBondContact O-N 3.48Å; A214-K218 WeakPolarHBondContact O-CB 3.29Å; A214-K218 PolarHBondContact O-N 3.37Å; A214-K218 VanDerWaalsContact O-N 3.11Å; A214-Y385 HydrophobicContact CB-CD2 4Å; A214-Y385 HydrophobicContact CB-CE2 4.1Å
215	Y	98.9	Very high	98.7	Very high	37 Å²	37	36.8 Å²	36.8	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-69.8	-44.5	175	178.6	-101	0	0	0	111.5	W179 L182 L211 S212 E213 R217 K218 T219	W179-Y215 HydrophobicContact CH2-CD2 4.22Å; W179-Y215 AromaticContact CH2-CE2 3.59Å; W179-Y215 HydrophobicContact CH2-CE2 3.59Å; W179-Y215 AromaticContact CH2-CZ 3.99Å; W179-Y215 HydrophobicContact CZ3-CD2 4.11Å; W179-Y215 AromaticContact CZ3-CE2 3.84Å; W179-Y215 HydrophobicContact CZ3-CE2 3.84Å; L182-Y215 HydrophobicContact CD1-CD1 3.55Å; L182-Y215 HydrophobicContact CD1-CE1 4.28Å; L182-Y215 HydrophobicContact CD1-CG 4.16Å; L182-Y215 HydrophobicContact CD2-CD1 4.33Å; L182-Y215 HydrophobicContact CD2-CG 4.26Å; L182-Y215 HydrophobicContact CG-CD1 3.65Å; L182-Y215 HydrophobicContact CG-CE1 4.09Å; L182-Y215 HydrophobicContact CG-CG 4.08Å; L182-Y215 VanDerWaalsContact O-CE1 3.32Å; L182-Y215 WeakPolarHBondContact O-CE1 3.49Å; L211-Y215 WeakPolarHBondContact O-CB 3.4Å; L211-Y215 PolarHBondContact O-N 3.03Å; S212-Y215 WeakPolarHBondContact O-CB 3.42Å; S212-Y215 PolarHBondContact O-N 3.14Å; S212-Y215 VanDerWaalsContact O-N 3.12Å; E213-Y215 VanDerWaalsContact C-N 3.28Å; E213-Y215 PolarHBondContact O-N 2.67Å; Y215-R217 VanDerWaalsContact C-N 3.31Å; Y215-R217 PolarHBondContact O-N 2.56Å; Y215-K218 PolarHBondContact O-N 3.38Å; Y215-K218 VanDerWaalsContact O-N 3.15Å; Y215-T219 HydrophobicContact CD1-CG2 4.38Å; Y215-T219 HydrophobicContact CD2-CG2 4.23Å; Y215-T219 HydrophobicContact CE1-CG2 3.96Å; Y215-T219 HydrophobicContact CE2-CG2 3.76Å; Y215-T219 PolarHBondContact O-N 3.34Å; Y215-T219 PolarHBondContact O-OG1 2.81Å
216	W	98.8	Very high	98.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69	-27.5	177.6	-64.3	-42.3	0	0	0	112.7	L182 F185 A190 F192 S212 E213 G220 K221 R222 A225 I227 M291	L182-W216 HydrophobicContact CD1-CD2 4.17Å; L182-W216 HydrophobicContact CD1-CH2 3.99Å; L182-W216 HydrophobicContact CD1-CZ2 3.3Å; L182-W216 PolarHBondContact O-NE1 3.22Å; F185-W216 HydrophobicContact CB-CZ2 3.95Å; F185-W216 HydrophobicContact CD1-CD2 4.48Å; F185-W216 AromaticContact CD1-CE2 3.8Å; F185-W216 HydrophobicContact CD1-CZ2 4.18Å; F185-W216 AromaticContact CD1-NE1 3.54Å; F185-W216 HydrophobicContact CD2-CH2 4.15Å; F185-W216 AromaticContact CD2-CZ2 3.52Å; F185-W216 HydrophobicContact CD2-CZ2 3.52Å; F185-W216 HydrophobicContact CE2-CH2 4.37Å; F185-W216 HydrophobicContact CE2-CZ2 4.1Å; F185-W216 AromaticContact CG-CE2 3.65Å; F185-W216 AromaticContact CG-CZ2 3.6Å; F185-W216 HydrophobicContact CG-CZ2 3.6Å; F185-W216 AromaticContact CG-NE1 3.57Å; A190-W216 HydrophobicContact CB-CH2 3.25Å; A190-W216 HydrophobicContact CB-CZ2 4.26Å; A190-W216 HydrophobicContact CB-CZ3 3.42Å; A190-W216 VanDerWaalsContact CB-CZ3 3.42Å; F192-W216 HydrophobicContact CZ-CH2 4.22Å; F192-W216 HydrophobicContact CZ-CZ3 4.46Å; S212-W216 VanDerWaalsContact O-CD2 3.29Å; S212-W216 VanDerWaalsContact O-CE3 3.23Å; S212-W216 PolarHBondContact O-N 3.29Å; E213-W216 PolarHBondContact O-N 2.85Å; W216-G220 PolarHBondContact O-N 3.48Å; W216-K221 HydrophobicContact CB-CB 4.06Å; W216-K221 HydrophobicContact CG-CB 4.2Å; W216-K221 CarbonylContact O-C 3.52Å; W216-K221 PolarHBondContact O-N 2.95Å; W216-R222 HydrophobicContact CB-CB 4.34Å; W216-R222 PolarHBondContact O-N 3.15Å; W216-A225 HydrophobicContact CD2-CB 4.18Å; W216-A225 HydrophobicContact CE3-CB 3.89Å; W216-A225 HydrophobicContact CZ3-CB 4.47Å; W216-I227 HydrophobicContact CE3-CD1 3.8Å; W216-I227 HydrophobicContact CE3-CG1 4.25Å; W216-I227 HydrophobicContact CZ3-CD1 3.97Å; W216-I227 HydrophobicContact CZ3-CG1 4.06Å; W216-M291 HydrophobicContact CH2-SD 3.67Å; W216-M291 HydrophobicContact CZ2-SD 3.64Å
217	R	98.6	Very high	98.7	Very high	110 Å²	110	40.4 Å²	40.4	42%	0.415	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-56.1	163.8	-69	-177.2	-170.2	-158.9	-8.3	110.6	E213 Y215 T219 G220 R222 E252 R253	E213-R217 VanDerWaalsContact CD-NE 3.26Å; E213-R217 PolarHBondContact O-N 3.37Å; E213-R217 IonicContact OE1-CZ 3.32Å; E213-R217 IonicContact OE1-NE 2.76Å; E213-R217 PolarHBondContact OE1-NE 2.76Å; E213-R217 IonicContact OE1-NH2 2.75Å; E213-R217 PolarHBondContact OE1-NH2 2.89Å; E213-R217 IonicContact OE2-CZ 3.97Å; E213-R217 IonicContact OE2-NE 3.03Å; E213-R217 PolarHBondContact OE2-NE 3.08Å; E213-R217 IonicContact OE2-NH2 2.74Å; Y215-R217 VanDerWaalsContact C-N 3.31Å; Y215-R217 PolarHBondContact O-N 2.56Å; R217-T219 PolarHBondContact O-N 2.88Å; R217-G220 PolarHBondContact O-N 2.98Å; R217-G220 VanDerWaalsContact O-N 3.14Å; R217-R222 HydrophobicContact CG-CB 4.12Å; R217-R222 HydrophobicContact CG-CG 4.04Å; R217-E252 IonicContact CZ-OE1 2.81Å; R217-E252 IonicContact NH1-OE1 2.62Å; R217-E252 PolarHBondContact NH1-OE1 3.31Å; R217-E252 IonicContact NH2-OE1 2.74Å; R217-R253 VanDerWaalsContact NH2-CB 3.33Å
218	K	98.4	Very high	98.8	Very high	177 Å²	177	40.5 Å²	40.5	77%	0.77	22%	0.217	S	C	*	.	H	α-helix	trans	-58.8	-28.9	-177.3	-177.4	177.4	176.5	-177.2	0	113.6	A214 Y215	A214-K218 WeakPolarHBondContact O-CB 3.29Å; A214-K218 PolarHBondContact O-N 3.37Å; A214-K218 VanDerWaalsContact O-N 3.11Å; Y215-K218 PolarHBondContact O-N 3.38Å; Y215-K218 VanDerWaalsContact O-N 3.15Å
219	T	98.4	Very high	98.8	Very high	54 Å²	54	40.5 Å²	40.5	33%	0.331	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	10.6	-178.9	57.6	0	0	0	0	114.2	Y215 R217 K221	Y215-T219 HydrophobicContact CD1-CG2 4.38Å; Y215-T219 HydrophobicContact CD2-CG2 4.23Å; Y215-T219 HydrophobicContact CE1-CG2 3.96Å; Y215-T219 HydrophobicContact CE2-CG2 3.76Å; Y215-T219 PolarHBondContact O-N 3.34Å; Y215-T219 PolarHBondContact O-OG1 2.81Å; R217-T219 PolarHBondContact O-N 2.88Å; T219-K221 PolarHBondContact O-N 2.75Å
220	G	98.4	Very high	98.8	Very high	64 Å²	64	40.5 Å²	40.5	66%	0.66	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	10.6	177.8	0	0	0	0	0	115.4	W216 R217	W216-G220 PolarHBondContact O-N 3.48Å; R217-G220 PolarHBondContact O-N 2.98Å; R217-G220 VanDerWaalsContact O-N 3.14Å
221	K	98.4	Very high	98.7	Very high	44 Å²	44	40.6 Å²	40.6	19%	0.191	22%	0.218	C	C	.	.			trans	-93.4	-7.4	-179.2	-60.5	-176.2	-173.3	176.6	0	114.1	Q183 F185 W216 T219 S223 K224 A225	Q183-K221 PolarHBondContact O-NZ 2.7Å; F185-K221 HydrophobicContact CD1-CD 4.42Å; F185-K221 WeakPolarHBondContact O-CD 3.34Å; F185-K221 WeakPolarHBondContact O-CE 3.45Å; F185-K221 PolarHBondContact O-NZ 3.39Å; W216-K221 HydrophobicContact CB-CB 4.06Å; W216-K221 HydrophobicContact CG-CB 4.2Å; W216-K221 CarbonylContact O-C 3.52Å; W216-K221 PolarHBondContact O-N 2.95Å; T219-K221 PolarHBondContact O-N 2.75Å; K221-S223 VanDerWaalsContact C-N 3.28Å; K221-S223 PolarHBondContact O-N 2.84Å; K221-K224 WeakPolarHBondContact O-CA 3.22Å; K221-K224 WeakPolarHBondContact O-CB 3.18Å; K221-K224 PolarHBondContact O-N 3.03Å; K221-A225 PolarHBondContact O-N 2.82Å
222	R	98.6	Very high	98.7	Very high	45 Å²	45	40.6 Å²	40.6	17%	0.17	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58	-35.3	-170.3	178.6	60.2	-170.3	96.6	-12.9	113.9	E213 W216 R217 K224 A225 R253 N254	E213-R222 WeakPolarHBondContact OE1-CD 3.47Å; E213-R222 IonicContact OE1-CZ 4Å; E213-R222 IonicContact OE1-NE 2.91Å; E213-R222 PolarHBondContact OE1-NE 3.27Å; W216-R222 HydrophobicContact CB-CB 4.34Å; W216-R222 PolarHBondContact O-N 3.15Å; R217-R222 HydrophobicContact CG-CB 4.12Å; R217-R222 HydrophobicContact CG-CG 4.04Å; R222-K224 PolarHBondContact O-N 2.86Å; R222-A225 PolarHBondContact NH1-O 3.06Å; R222-A225 PolarHBondContact O-N 3.05Å; R222-R253 PolarHBondContact NH2-O 3.25Å; R222-N254 PolarHBondContact NH2-O 2.77Å
223	S	98.5	Very high	98.7	Very high	116 Å²	116	43.8 Å²	43.8	81%	0.811	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-66.2	-23.5	175.5	46.1	0	0	0	0	113.6	K221	K221-S223 VanDerWaalsContact C-N 3.28Å; K221-S223 PolarHBondContact O-N 2.84Å
224	K	98.7	Very high	98.7	Very high	90 Å²	90	46.1 Å²	46.1	39%	0.391	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-91.9	0	177.2	-65.2	-177.4	165.4	-71.4	0	113.3	E187 G188 K221 R222	E187-K224 CarbonylContact C-O 3.58Å; E187-K224 WeakPolarHBondContact CA-O 3.05Å; E187-K224 HydrophobicContact CB-CB 3.97Å; E187-K224 HydrophobicContact CB-CD 4.29Å; E187-K224 HydrophobicContact CB-CG 4.45Å; E187-K224 HydrophobicContact CG-CB 3.85Å; E187-K224 HydrophobicContact CG-CD 4.41Å; E187-K224 HydrophobicContact CG-CG 4.17Å; E187-K224 IonicContact OE1-NZ 2.93Å; E187-K224 PolarHBondContact OE1-NZ 3.42Å; E187-K224 IonicContact OE2-NZ 2.6Å; E187-K224 PolarHBondContact OE2-NZ 2.8Å; G188-K224 PolarHBondContact N-O 2.71Å; K221-K224 WeakPolarHBondContact O-CA 3.22Å; K221-K224 WeakPolarHBondContact O-CB 3.18Å; K221-K224 PolarHBondContact O-N 3.03Å; R222-K224 PolarHBondContact O-N 2.86Å
225	A	98.8	Very high	98.7	Very high	7 Å²	7	49 Å²	49	6%	0.058	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	110.5	-175.3	0	0	0	0	0	112	F185 W216 K221 R222 I227	F185-A225 HydrophobicContact CE1-CB 3.87Å; F185-A225 HydrophobicContact CZ-CB 3.75Å; W216-A225 HydrophobicContact CD2-CB 4.18Å; W216-A225 HydrophobicContact CE3-CB 3.89Å; W216-A225 HydrophobicContact CZ3-CB 4.47Å; K221-A225 PolarHBondContact O-N 2.82Å; R222-A225 PolarHBondContact NH1-O 3.06Å; R222-A225 PolarHBondContact O-N 3.05Å; A225-I227 HydrophobicContact CB-CD1 4.31Å; A225-I227 HydrophobicContact CB-CG1 4.04Å
226	N	98.9	Very high	98.6	Very high	80 Å²	80	47.6 Å²	47.6	43%	0.428	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116	162.4	179.2	30	0	0	0	108.4	G188 N189 A190	G188-N226 PolarHBondContact O-N 3.37Å; N189-N226 CarbonylContact C-O 3.59Å; N189-N226 WeakPolarHBondContact CA-O 3.34Å; N189-N226 WeakPolarHBondContact OD1-CB 3.44Å; N189-N226 PolarHBondContact OD1-ND2 3.37Å; A190-N226 PolarHBondContact N-O 3.07Å
227	I	98.9	Very high	98.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120	-168.7	-56.6	176.9	0	0	0	109.2	A190 F192 M209 E213 W216 A225 I255 A256	A190-I227 HydrophobicContact CB-CG1 4.35Å; F192-I227 HydrophobicContact CD2-CG2 4.36Å; F192-I227 HydrophobicContact CE2-CG2 4.07Å; M209-I227 HydrophobicContact CG-CG2 3.72Å; M209-I227 HydrophobicContact SD-CG2 4.34Å; E213-I227 HydrophobicContact CB-CD1 3.71Å; E213-I227 HydrophobicContact CG-CD1 3.43Å; E213-I227 VanDerWaalsContact CG-CD1 3.43Å; W216-I227 HydrophobicContact CE3-CD1 3.8Å; W216-I227 HydrophobicContact CE3-CG1 4.25Å; W216-I227 HydrophobicContact CZ3-CD1 3.97Å; W216-I227 HydrophobicContact CZ3-CG1 4.06Å; A225-I227 HydrophobicContact CB-CD1 4.31Å; A225-I227 HydrophobicContact CB-CG1 4.04Å; I227-I255 HydrophobicContact CG2-CG1 4.34Å; I227-I255 HydrophobicContact CG2-CG2 4.21Å; I227-A256 PolarHBondContact O-N 3.2Å
228	V	98.9	Very high	98.5	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.3	-167.9	-174.9	0	0	0	0	110.7	A190 I191 F192 N230 A256 N258	A190-V228 PolarHBondContact O-N 3.31Å; I191-V228 WeakPolarHBondContact CA-O 3.11Å; I191-V228 HydrophobicContact CG1-CB 4.49Å; F192-V228 PolarHBondContact N-O 3.17Å; V228-N230 WeakPolarHBondContact CG1-OD1 3.23Å; V228-A256 CarbonylContact C-O 3.59Å; V228-A256 WeakPolarHBondContact CA-O 3.35Å; V228-A256 HydrophobicContact CG2-CB 4.33Å; V228-N258 WeakPolarHBondContact CG1-ND2 3.39Å
229	F	98.9	Very high	98.5	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	104.9	168.3	-169.7	-135.3	0	0	0	110.2	F192 F194 P205 Q206 M209 T231 I236 A256 V257 N258	F192-F229 HydrophobicContact CB-CD2 3.89Å; F192-F229 WeakPolarHBondContact O-CA 3.43Å; F192-F229 WeakPolarHBondContact O-CD2 3.44Å; F194-F229 HydrophobicContact CB-CE2 4.12Å; F194-F229 HydrophobicContact CB-CZ 3.86Å; F194-F229 HydrophobicContact CD2-CZ 4.38Å; P205-F229 HydrophobicContact CB-CE2 3.88Å; P205-F229 HydrophobicContact CB-CZ 4.22Å; Q206-F229 HydrophobicContact CB-CE1 4.41Å; Q206-F229 HydrophobicContact CB-CZ 4.32Å; M209-F229 HydrophobicContact SD-CB 3.69Å; M209-F229 HydrophobicContact SD-CG 4.24Å; F229-T231 HydrophobicContact CD1-CG2 4.01Å; F229-T231 HydrophobicContact CE1-CG2 3.95Å; F229-I236 HydrophobicContact CD1-CD1 3.75Å; F229-I236 HydrophobicContact CE1-CD1 3.7Å; F229-A256 PolarHBondContact N-O 2.75Å; F229-V257 HydrophobicContact CB-CG1 4.37Å; F229-V257 HydrophobicContact CB-CG2 4.15Å; F229-V257 HydrophobicContact CD1-CG1 4Å; F229-V257 WeakPolarHBondContact O-CA 3.47Å; F229-N258 PolarHBondContact O-N 2.91Å
230	N	98.9	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.1	173.2	-75.5	-2.8	0	0	0	108.1	F192 T193 F194 V228 N258 R261 F275	F192-N230 PolarHBondContact O-N 2.99Å; T193-N230 VanDerWaalsContact CA-O 3.31Å; T193-N230 WeakPolarHBondContact CA-O 3.48Å; F194-N230 PolarHBondContact N-O 3.04Å; V228-N230 WeakPolarHBondContact CG1-OD1 3.23Å; N230-N258 WeakPolarHBondContact OD1-CB 3.41Å; N230-N258 PolarHBondContact OD1-ND2 2.62Å; N230-R261 CarbonylContact C-O 3.55Å; N230-R261 HydrophobicContact CB-CB 3.88Å; N230-F275 HydrophobicContact CB-CD1 3.6Å; N230-F275 HydrophobicContact CB-CE1 3.29Å; N230-F275 HydrophobicContact CB-CG 4.4Å; N230-F275 HydrophobicContact CB-CZ 3.87Å; N230-F275 WeakPolarHBondContact ND2-CD1 3.48Å; N230-F275 VanDerWaalsContact ND2-CD2 3.27Å; N230-F275 WeakPolarHBondContact ND2-CD2 3.38Å; N230-F275 WeakPolarHBondContact ND2-CE1 3.47Å; N230-F275 WeakPolarHBondContact ND2-CE2 3.19Å; N230-F275 WeakPolarHBondContact ND2-CG 3.34Å; N230-F275 WeakPolarHBondContact ND2-CZ 3.11Å
231	T	98.9	Very high	98.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136	-173.6	176.3	0	0	0	0	112	F194 F229 L233 V257 N258 Y259 R260 R261	F194-T231 WeakPolarHBondContact CB-OG1 3.18Å; F229-T231 HydrophobicContact CD1-CG2 4.01Å; F229-T231 HydrophobicContact CE1-CG2 3.95Å; T231-L233 PolarHBondContact O-N 3.29Å; T231-L233 PolarHBondContact OG1-N 2.78Å; T231-V257 HydrophobicContact CG2-CG1 4.14Å; T231-N258 PolarHBondContact N-O 3.42Å; T231-Y259 HydrophobicContact CG2-CD1 3.62Å; T231-Y259 HydrophobicContact CG2-CE1 4.09Å; T231-Y259 HydrophobicContact CG2-CG 4.5Å; T231-Y259 CarbonylContact O-C 3.14Å; T231-R260 WeakPolarHBondContact O-CA 3.36Å; T231-R260 PolarHBondContact O-N 3.21Å; T231-R261 CarbonylContact C-O 3.54Å; T231-R261 PolarHBondContact N-O 3.16Å; T231-R261 PolarHBondContact O-N 2.72Å
232	S	98.8	Very high	98.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	24%	0.236	C	C	.	.	S	Bend	trans	-69.4	-17.9	177.1	-58.6	0	0	0	0	113.6	F194 P195 N196 R260 R261 N262 L278	F194-S232 WeakPolarHBondContact O-CB 3.26Å; F194-S232 PolarHBondContact O-N 2.98Å; F194-S232 PolarHBondContact O-OG 2.88Å; P195-S232 WeakPolarHBondContact O-CB 3.44Å; N196-S232 PolarHBondContact N-OG 2.92Å; S232-R260 PolarHBondContact O-NH1 3.12Å; S232-R261 PolarHBondContact N-O 3.06Å; S232-N262 WeakPolarHBondContact OG-CA 3.4Å; S232-N262 WeakPolarHBondContact OG-CB 3.49Å; S232-N262 PolarHBondContact OG-OD1 3.42Å; S232-L278 WeakPolarHBondContact O-CD1 3.48Å
233	L	98.3	Very high	98.5	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.346	23%	0.233	S	C	.	.	S	Bend	trans	-77	160.5	178.6	-54.6	-176.4	0	0	0	111.7	F194 T231 Y259 R260	F194-L233 HydrophobicContact CD1-CD1 4.29Å; F194-L233 HydrophobicContact CD1-CD2 4.42Å; F194-L233 HydrophobicContact CD1-CG 3.93Å; F194-L233 HydrophobicContact CE1-CD1 3.84Å; F194-L233 HydrophobicContact CE1-CD2 3.85Å; F194-L233 HydrophobicContact CE1-CG 3.71Å; F194-L233 HydrophobicContact CE2-CD1 4.12Å; F194-L233 HydrophobicContact CZ-CD1 3.75Å; F194-L233 HydrophobicContact CZ-CD2 4.42Å; F194-L233 HydrophobicContact CZ-CG 4.16Å; T231-L233 PolarHBondContact O-N 3.29Å; T231-L233 PolarHBondContact OG1-N 2.78Å; L233-Y259 WeakPolarHBondContact O-CB 3.19Å; L233-Y259 WeakPolarHBondContact O-CD1 3.42Å; L233-R260 PolarHBondContact O-N 2.76Å; L233-R260 VanDerWaalsContact O-N 3.14Å
234	G	98.3	Very high	98.5	Very high	50 Å²	50	36.1 Å²	36.1	52%	0.515	21%	0.21	S	C	.	.	S	Bend	trans	-90.1	1.7	168.1	0	0	0	0	0	114.6
235	V	98.2	Very high	98.5	Very high	78 Å²	78	32.4 Å²	32.4	47%	0.473	20%	0.196	S	C	.	.	S	Bend	trans	-141.9	152.4	-177.6	-64.9	0	0	0	0	111.1	Y259	V235-Y259 VanDerWaalsContact C-CE1 3.44Å
236	I	98.3	Very high	98.5	Very high	7 Å²	7	32 Å²	32	4%	0.036	19%	0.193	C	C	.	.	S	Bend	trans	-72.4	-32	176	-169.3	59.3	0	0	0	112.5	Q206 F229 A243 L246 L247 I250 Y259	Q206-I236 PolarHBondContact NE2-O 2.99Å; F229-I236 HydrophobicContact CD1-CD1 3.75Å; F229-I236 HydrophobicContact CE1-CD1 3.7Å; I236-A243 HydrophobicContact CG2-CB 4.01Å; I236-L246 HydrophobicContact CG1-CB 4.26Å; I236-L246 HydrophobicContact CG2-CB 4.21Å; I236-L247 HydrophobicContact CB-CD2 4.48Å; I236-L247 HydrophobicContact CG2-CD2 4.03Å; I236-L247 HydrophobicContact CG2-CG 3.97Å; I236-I250 HydrophobicContact CB-CD1 4.43Å; I236-I250 HydrophobicContact CD1-CD1 3.77Å; I236-I250 HydrophobicContact CG1-CD1 3.62Å; I236-Y259 HydrophobicContact CB-CE1 4.5Å
237	F	98.3	Very high	98.5	Very high	16 Å²	16	31.9 Å²	31.9	7%	0.07	19%	0.192	C	C	.	.			trans	-155.1	147.9	179	-158	-104.8	0	0	0	110.5	V239 Y242 A243 L246 C379 L381 A391 F393	F237-V239 VanDerWaalsContact C-N 3.28Å; F237-V239 HydrophobicContact CD1-CB 4.07Å; F237-V239 HydrophobicContact CE1-CB 4.13Å; F237-V239 HydrophobicContact CE1-CG2 4.28Å; F237-V239 PolarHBondContact O-N 3.06Å; F237-Y242 HydrophobicContact CD1-CD2 4.38Å; F237-Y242 HydrophobicContact CE1-CD2 4.02Å; F237-A243 HydrophobicContact CB-CB 4.02Å; F237-L246 HydrophobicContact CB-CD1 3.73Å; F237-L246 HydrophobicContact CD2-CD1 4.24Å; F237-L246 HydrophobicContact CG-CD1 4.02Å; F237-C379 HydrophobicContact CE2-CB 4.34Å; F237-C379 HydrophobicContact CZ-CB 4.01Å; F237-L381 HydrophobicContact CD2-CD2 4.34Å; F237-L381 HydrophobicContact CE2-CD1 4.25Å; F237-L381 HydrophobicContact CE2-CD2 4.11Å; F237-L381 HydrophobicContact CZ-CD1 4.33Å; F237-A391 HydrophobicContact CE1-CB 3.95Å; F237-A391 HydrophobicContact CZ-CB 3.98Å; F237-F393 HydrophobicContact CE1-CD1 4.5Å; F237-F393 AromaticContact CE1-CE1 3.84Å; F237-F393 HydrophobicContact CE1-CE1 3.84Å; F237-F393 HydrophobicContact CE1-CZ 4.33Å; F237-F393 AromaticContact CZ-CE1 3.79Å; F237-F393 HydrophobicContact CZ-CE1 3.79Å; F237-F393 HydrophobicContact CZ-CZ 4.18Å
238	G	96.3	Very high	98.5	Very high	63 Å²	63	38.6 Å²	38.6	65%	0.649	22%	0.223	S	C	*	.	S	Bend	trans	-79.2	2.3	-172.4	0	0	0	0	0	116.2
239	V	98.1	Very high	98.5	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	22%	0.223	C	C	.	.	S	Bend	trans	-130.9	116.5	-176.9	173.9	0	0	0	0	108.5	F237 K241 Y242 A243 F393 A397 P399	F237-V239 VanDerWaalsContact C-N 3.28Å; F237-V239 HydrophobicContact CD1-CB 4.07Å; F237-V239 HydrophobicContact CE1-CB 4.13Å; F237-V239 HydrophobicContact CE1-CG2 4.28Å; F237-V239 PolarHBondContact O-N 3.06Å; V239-K241 PolarHBondContact O-N 3.3Å; V239-Y242 HydrophobicContact CB-CD2 3.8Å; V239-Y242 HydrophobicContact CB-CE2 4.33Å; V239-Y242 HydrophobicContact CG1-CD2 3.48Å; V239-Y242 VanDerWaalsContact CG1-CD2 3.48Å; V239-Y242 HydrophobicContact CG1-CE2 3.66Å; V239-Y242 PolarHBondContact O-N 3.26Å; V239-Y242 VanDerWaalsContact O-N 3.14Å; V239-A243 PolarHBondContact O-N 3.39Å; V239-F393 HydrophobicContact CG2-CB 3.99Å; V239-F393 HydrophobicContact CG2-CD1 3.88Å; V239-F393 HydrophobicContact CG2-CD2 3.74Å; V239-F393 HydrophobicContact CG2-CE1 4.23Å; V239-F393 HydrophobicContact CG2-CE2 4.08Å; V239-F393 HydrophobicContact CG2-CG 3.62Å; V239-F393 HydrophobicContact CG2-CZ 4.31Å; V239-A397 WeakPolarHBondContact CG1-O 3.44Å; V239-A397 HydrophobicContact CG2-CB 4.11Å; V239-A397 WeakPolarHBondContact CG2-O 3.33Å; V239-P399 HydrophobicContact CG1-CG 4.16Å
240	K	98.1	Very high	98.4	Very high	146 Å²	146	39.4 Å²	39.4	64%	0.635	23%	0.227	S	C	*	.	H	α-helix	trans	-54.1	-48.9	-166.2	-161.6	-162.2	-178	-55.3	0	113.3	Y242 A243 D244	K240-Y242 PolarHBondContact O-N 3.05Å; K240-Y242 VanDerWaalsContact O-N 3.12Å; K240-A243 WeakPolarHBondContact O-CB 3.14Å; K240-A243 PolarHBondContact O-N 2.95Å; K240-D244 IonicContact NZ-OD1 3.98Å; K240-D244 PolarHBondContact NZ-OD1 3.48Å; K240-D244 IonicContact NZ-OD2 2.69Å; K240-D244 PolarHBondContact NZ-OD2 3.05Å; K240-D244 PolarHBondContact O-N 3.16Å
241	K	98.6	Very high	98.4	Very high	69 Å²	69	48.1 Å²	48.1	30%	0.3	27%	0.265	S	S	.	.	H	α-helix	trans	-50.8	-40.7	-178.9	-167.6	-168.7	-179.2	-164.8	0	113.2	V239 P399 E401 D406	V239-K241 PolarHBondContact O-N 3.3Å; K241-P399 HydrophobicContact CB-CG 3.73Å; K241-P399 HydrophobicContact CD-CB 4.04Å; K241-P399 HydrophobicContact CD-CG 3.79Å; K241-P399 HydrophobicContact CG-CG 4.35Å; K241-E401 IonicContact NZ-OE1 2.66Å; K241-E401 PolarHBondContact NZ-OE1 2.7Å; K241-E401 IonicContact NZ-OE2 2.7Å; K241-E401 PolarHBondContact NZ-OE2 3.32Å; K241-D406 WeakPolarHBondContact CE-OD1 3.49Å; K241-D406 IonicContact NZ-OD1 2.75Å; K241-D406 PolarHBondContact NZ-OD1 3.21Å
242	Y	98.7	Very high	98.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-88.3	-31.1	179.2	-47.1	-62.4	0	0	0	111.8	F237 V239 K240 L246 I389 A391 E392 F393 P399 E401	F237-Y242 HydrophobicContact CD1-CD2 4.38Å; F237-Y242 HydrophobicContact CE1-CD2 4.02Å; V239-Y242 HydrophobicContact CB-CD2 3.8Å; V239-Y242 HydrophobicContact CB-CE2 4.33Å; V239-Y242 HydrophobicContact CG1-CD2 3.48Å; V239-Y242 VanDerWaalsContact CG1-CD2 3.48Å; V239-Y242 HydrophobicContact CG1-CE2 3.66Å; V239-Y242 PolarHBondContact O-N 3.26Å; V239-Y242 VanDerWaalsContact O-N 3.14Å; K240-Y242 PolarHBondContact O-N 3.05Å; K240-Y242 VanDerWaalsContact O-N 3.12Å; Y242-L246 WeakPolarHBondContact O-CB 3.46Å; Y242-L246 WeakPolarHBondContact O-CD1 3.23Å; Y242-L246 WeakPolarHBondContact O-CG 3.49Å; Y242-L246 PolarHBondContact O-N 3.33Å; Y242-I389 HydrophobicContact CD1-CG2 4.11Å; Y242-A391 HydrophobicContact CD1-CB 4Å; Y242-A391 HydrophobicContact CD2-CB 3.45Å; Y242-A391 VanDerWaalsContact CD2-CB 3.45Å; Y242-A391 HydrophobicContact CE1-CB 4.17Å; Y242-A391 HydrophobicContact CE2-CB 3.67Å; Y242-A391 HydrophobicContact CG-CB 3.64Å; Y242-E392 PolarHBondContact OH-N 3.23Å; Y242-E392 VanDerWaalsContact OH-N 3.11Å; Y242-E392 PolarHBondContact OH-O 2.83Å; Y242-F393 HydrophobicContact CE2-CD1 4.32Å; Y242-P399 HydrophobicContact CE2-CB 4.45Å; Y242-E401 VanDerWaalsContact CE1-OE1 3.24Å; Y242-E401 WeakPolarHBondContact CE1-OE1 3.42Å; Y242-E401 VanDerWaalsContact OH-CG 3.23Å; Y242-E401 WeakPolarHBondContact OH-CG 3.44Å; Y242-E401 PolarHBondContact OH-OE1 3.35Å; Y242-E401 VanDerWaalsContact OH-OE1 3.13Å
243	A	98.6	Very high	98.4	Very high	11 Å²	11	53.9 Å²	53.9	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-44.8	173.8	0	0	0	0	0	111.8	I236 F237 V239 K240 L246 L247	I236-A243 HydrophobicContact CG2-CB 4.01Å; F237-A243 HydrophobicContact CB-CB 4.02Å; V239-A243 PolarHBondContact O-N 3.39Å; K240-A243 WeakPolarHBondContact O-CB 3.14Å; K240-A243 PolarHBondContact O-N 2.95Å; A243-L246 PolarHBondContact O-N 3.48Å; A243-L247 WeakPolarHBondContact O-CG 3.46Å; A243-L247 PolarHBondContact O-N 3.22Å
244	D	98.7	Very high	98.4	Very high	61 Å²	61	56.9 Å²	56.9	33%	0.326	31%	0.308	S	S	.	.	H	α-helix	trans	-56.8	-52.6	177.4	-62.9	-27	0	0	0	111	K240 L246 L247 E248	K240-D244 IonicContact NZ-OD1 3.98Å; K240-D244 PolarHBondContact NZ-OD1 3.48Å; K240-D244 IonicContact NZ-OD2 2.69Å; K240-D244 PolarHBondContact NZ-OD2 3.05Å; K240-D244 PolarHBondContact O-N 3.16Å; D244-L246 VanDerWaalsContact C-N 3.29Å; D244-L246 PolarHBondContact O-N 3.4Å; D244-L247 WeakPolarHBondContact O-CB 3.25Å; D244-L247 PolarHBondContact O-N 2.77Å; D244-E248 PolarHBondContact O-N 2.96Å
245	A	98.8	Very high	98.4	Very high	12 Å²	12	55 Å²	55	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-30.5	178.3	0	0	0	0	0	113.6	I249 I389 S408	A245-I249 WeakPolarHBondContact O-CG1 3.44Å; A245-I249 PolarHBondContact O-N 2.81Å; A245-I389 HydrophobicContact CB-CD1 4.13Å; A245-S408 WeakPolarHBondContact CB-O 3.4Å
246	L	98.8	Very high	98.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-73	-34.8	173	-68.8	163.7	0	0	0	111.9	Y210 I236 F237 Y242 A243 D244 I249 I250 L381 T383 I389	Y210-L246 HydrophobicContact CE2-CD2 3.73Å; I236-L246 HydrophobicContact CG1-CB 4.26Å; I236-L246 HydrophobicContact CG2-CB 4.21Å; F237-L246 HydrophobicContact CB-CD1 3.73Å; F237-L246 HydrophobicContact CD2-CD1 4.24Å; F237-L246 HydrophobicContact CG-CD1 4.02Å; Y242-L246 WeakPolarHBondContact O-CB 3.46Å; Y242-L246 WeakPolarHBondContact O-CD1 3.23Å; Y242-L246 WeakPolarHBondContact O-CG 3.49Å; Y242-L246 PolarHBondContact O-N 3.33Å; A243-L246 PolarHBondContact O-N 3.48Å; D244-L246 VanDerWaalsContact C-N 3.29Å; D244-L246 PolarHBondContact O-N 3.4Å; L246-I249 PolarHBondContact O-N 2.77Å; L246-I250 WeakPolarHBondContact O-CD1 3.12Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.46Å; L246-I250 PolarHBondContact O-N 3.22Å; L246-L381 HydrophobicContact CD1-CD1 3.96Å; L246-L381 HydrophobicContact CD1-CD2 4.33Å; L246-L381 HydrophobicContact CD2-CD1 4.38Å; L246-L381 HydrophobicContact CD2-CD2 4.47Å; L246-T383 HydrophobicContact CD2-CG2 4.32Å; L246-I389 HydrophobicContact CD2-CD1 4.31Å
247	L	98.7	Very high	98.5	Very high	76 Å²	76	54 Å²	54	40%	0.398	28%	0.284	S	S	.	.	H	α-helix	trans	-68.5	-37.3	174.6	-69.3	171.3	0	0	0	112	I236 A243 D244 I249 I250 K251	I236-L247 HydrophobicContact CB-CD2 4.48Å; I236-L247 HydrophobicContact CG2-CD2 4.03Å; I236-L247 HydrophobicContact CG2-CG 3.97Å; A243-L247 WeakPolarHBondContact O-CG 3.46Å; A243-L247 PolarHBondContact O-N 3.22Å; D244-L247 WeakPolarHBondContact O-CB 3.25Å; D244-L247 PolarHBondContact O-N 2.77Å; L247-I249 VanDerWaalsContact C-N 3.33Å; L247-I249 PolarHBondContact O-N 2.9Å; L247-I250 HydrophobicContact CD2-CD1 4.36Å; L247-I250 PolarHBondContact O-N 2.92Å; L247-K251 WeakPolarHBondContact O-CB 3.36Å; L247-K251 PolarHBondContact O-N 3.07Å
248	E	98.7	Very high	98.5	Very high	141 Å²	141	56 Å²	56	66%	0.659	30%	0.295	S	S	*	.	H	α-helix	trans	-56.8	-47.7	170.3	-70.8	-179.3	170.4	0	0	111.1	D244 K251 E252	D244-E248 PolarHBondContact O-N 2.96Å; E248-K251 PolarHBondContact O-N 3.36Å; E248-E252 WeakPolarHBondContact O-CB 3.25Å; E248-E252 PolarHBondContact O-N 3.22Å
249	I	98.8	Very high	98.6	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.046	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-46.4	175.1	-70.9	171.5	0	0	0	111.3	Y210 A245 L246 L247 K251 E252 R253 T383 I389 E410	Y210-I249 HydrophobicContact CD1-CG2 3.88Å; Y210-I249 HydrophobicContact CE1-CG2 3.76Å; A245-I249 WeakPolarHBondContact O-CG1 3.44Å; A245-I249 PolarHBondContact O-N 2.81Å; L246-I249 PolarHBondContact O-N 2.77Å; L247-I249 VanDerWaalsContact C-N 3.33Å; L247-I249 PolarHBondContact O-N 2.9Å; I249-K251 VanDerWaalsContact C-N 3.25Å; I249-K251 PolarHBondContact O-N 3.36Å; I249-E252 PolarHBondContact O-N 2.94Å; I249-R253 HydrophobicContact CG2-CG 4.18Å; I249-R253 VanDerWaalsContact O-CB 3.24Å; I249-R253 WeakPolarHBondContact O-CB 3.42Å; I249-R253 WeakPolarHBondContact O-CG 3.38Å; I249-R253 PolarHBondContact O-N 3.03Å; I249-T383 HydrophobicContact CD1-CG2 3.77Å; I249-I389 HydrophobicContact CD1-CD1 3.72Å; I249-E410 HydrophobicContact CD1-CG 3.76Å
250	I	98.8	Very high	98.7	Very high	17 Å²	17	59.8 Å²	59.8	9%	0.087	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-40.7	178.9	-76.2	157.9	0	0	0	111.5	Y210 I236 L246 L247 N254 I255 V257	Y210-I250 HydrophobicContact CE1-CG1 4.19Å; I236-I250 HydrophobicContact CB-CD1 4.43Å; I236-I250 HydrophobicContact CD1-CD1 3.77Å; I236-I250 HydrophobicContact CG1-CD1 3.62Å; L246-I250 WeakPolarHBondContact O-CD1 3.12Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.46Å; L246-I250 PolarHBondContact O-N 3.22Å; L247-I250 HydrophobicContact CD2-CD1 4.36Å; L247-I250 PolarHBondContact O-N 2.92Å; I250-N254 PolarHBondContact O-N 3Å; I250-I255 HydrophobicContact CG2-CB 4.26Å; I250-I255 WeakPolarHBondContact CG2-O 3.2Å; I250-I255 PolarHBondContact O-N 2.88Å; I250-V257 HydrophobicContact CD1-CG2 3.89Å; I250-V257 HydrophobicContact CG1-CG2 4.22Å; I250-V257 HydrophobicContact CG2-CG2 3.83Å
251	K	98.6	Very high	98.7	Very high	183 Å²	183	54.7 Å²	54.7	80%	0.796	27%	0.267	S	S	*	.	H	α-helix	trans	-70.5	-51.7	176.3	-175.3	179.9	177.9	-176.9	0	112.7	L247 E248 I249 R253 N254	L247-K251 WeakPolarHBondContact O-CB 3.36Å; L247-K251 PolarHBondContact O-N 3.07Å; E248-K251 PolarHBondContact O-N 3.36Å; I249-K251 VanDerWaalsContact C-N 3.25Å; I249-K251 PolarHBondContact O-N 3.36Å; K251-R253 PolarHBondContact O-N 3.5Å; K251-N254 PolarHBondContact O-N 2.85Å
252	E	98.5	Very high	98.7	Very high	111 Å²	111	52.2 Å²	52.2	52%	0.519	26%	0.257	S	S	.	.	H	α-helix	trans	-53	-37.7	176.9	-178.7	-121.9	127.3	0	0	111.5	R217 E248 I249	R217-E252 IonicContact CZ-OE1 2.81Å; R217-E252 IonicContact NH1-OE1 2.62Å; R217-E252 PolarHBondContact NH1-OE1 3.31Å; R217-E252 IonicContact NH2-OE1 2.74Å; E248-E252 WeakPolarHBondContact O-CB 3.25Å; E248-E252 PolarHBondContact O-N 3.22Å; I249-E252 PolarHBondContact O-N 2.94Å
253	R	98.5	Very high	98.7	Very high	12 Å²	12	52.4 Å²	52.4	5%	0.045	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	7.6	-171	-52.6	-155.5	-172.7	161.5	15.2	114.5	E213 R217 R222 I249 K251 I255 T383 E410	E213-R253 HydrophobicContact CG-CB 4.43Å; E213-R253 WeakPolarHBondContact OE2-CD 3.22Å; R217-R253 VanDerWaalsContact NH2-CB 3.33Å; R222-R253 PolarHBondContact NH2-O 3.25Å; I249-R253 HydrophobicContact CG2-CG 4.18Å; I249-R253 VanDerWaalsContact O-CB 3.24Å; I249-R253 WeakPolarHBondContact O-CB 3.42Å; I249-R253 WeakPolarHBondContact O-CG 3.38Å; I249-R253 PolarHBondContact O-N 3.03Å; K251-R253 PolarHBondContact O-N 3.5Å; R253-I255 HydrophobicContact CB-CD1 4.07Å; R253-I255 HydrophobicContact CB-CG1 4.12Å; R253-I255 PolarHBondContact O-N 3.12Å; R253-T383 PolarHBondContact NH1-O 2.94Å; R253-E410 IonicContact CZ-OE1 3.51Å; R253-E410 VanDerWaalsContact NH2-CD 3.25Å; R253-E410 IonicContact NH2-OE1 3.46Å; R253-E410 PolarHBondContact NH2-OE1 3.1Å; R253-E410 IonicContact NH2-OE2 3.6Å; R253-E410 PolarHBondContact NH2-OE2 3.45Å; R253-E410 VanDerWaalsContact NH2-OE2 3.14Å
254	N	98.6	Very high	98.7	Very high	130 Å²	130	54.5 Å²	54.5	70%	0.695	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	58.5	-179	-169.2	27.4	0	0	0	112.7	R222 I250 K251	R222-N254 PolarHBondContact NH2-O 2.77Å; I250-N254 PolarHBondContact O-N 3Å; K251-N254 PolarHBondContact O-N 2.85Å
255	I	98.8	Very high	98.7	Very high	11 Å²	11	53 Å²	53	6%	0.056	26%	0.258	C	S	.	.			trans	-103.7	129.7	178	-63.7	177.4	0	0	0	108.5	M209 Y210 E213 I227 I250 R253 V257	M209-I255 HydrophobicContact CE-CD1 4.05Å; M209-I255 HydrophobicContact CE-CG2 3.94Å; M209-I255 HydrophobicContact SD-CD1 4.44Å; M209-I255 HydrophobicContact SD-CG2 3.54Å; M209-I255 VanDerWaalsContact SD-CG2 3.54Å; Y210-I255 HydrophobicContact CD1-CD1 4.02Å; Y210-I255 HydrophobicContact CE1-CD1 4.17Å; E213-I255 HydrophobicContact CG-CD1 4.23Å; E213-I255 HydrophobicContact CG-CG1 4.41Å; I227-I255 HydrophobicContact CG2-CG1 4.34Å; I227-I255 HydrophobicContact CG2-CG2 4.21Å; I250-I255 HydrophobicContact CG2-CB 4.26Å; I250-I255 WeakPolarHBondContact CG2-O 3.2Å; I250-I255 PolarHBondContact O-N 2.88Å; R253-I255 HydrophobicContact CB-CD1 4.07Å; R253-I255 HydrophobicContact CB-CG1 4.12Å; R253-I255 PolarHBondContact O-N 3.12Å; I255-V257 HydrophobicContact CG2-CG2 4.29Å
256	A	98.8	Very high	98.8	Very high	37 Å²	37	52.6 Å²	52.6	31%	0.306	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.3	171.6	0	0	0	0	0	110.2	I227 V228 F229	I227-A256 PolarHBondContact O-N 3.2Å; V228-A256 CarbonylContact C-O 3.59Å; V228-A256 WeakPolarHBondContact CA-O 3.35Å; V228-A256 HydrophobicContact CG2-CB 4.33Å; F229-A256 PolarHBondContact N-O 2.75Å
257	V	98.8	Very high	98.8	Very high	27 Å²	27	56.1 Å²	56.1	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	110.5	173.7	-178.5	0	0	0	0	109.1	F229 T231 I250 I255 Y259	F229-V257 HydrophobicContact CB-CG1 4.37Å; F229-V257 HydrophobicContact CB-CG2 4.15Å; F229-V257 HydrophobicContact CD1-CG1 4Å; F229-V257 WeakPolarHBondContact O-CA 3.47Å; T231-V257 HydrophobicContact CG2-CG1 4.14Å; I250-V257 HydrophobicContact CD1-CG2 3.89Å; I250-V257 HydrophobicContact CG1-CG2 4.22Å; I250-V257 HydrophobicContact CG2-CG2 3.83Å; I255-V257 HydrophobicContact CG2-CG2 4.29Å; V257-Y259 HydrophobicContact CG1-CD1 4.12Å; V257-Y259 HydrophobicContact CG1-CD2 4.48Å; V257-Y259 HydrophobicContact CG1-CE1 3.63Å; V257-Y259 HydrophobicContact CG1-CE2 4.07Å
258	N	98.8	Very high	98.8	Very high	58 Å²	58	52.8 Å²	52.8	31%	0.31	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	100.2	175.1	-57	-44	0	0	0	108	V228 F229 N230 T231 R261	V228-N258 WeakPolarHBondContact CG1-ND2 3.39Å; F229-N258 PolarHBondContact O-N 2.91Å; N230-N258 WeakPolarHBondContact OD1-CB 3.41Å; N230-N258 PolarHBondContact OD1-ND2 2.62Å; T231-N258 PolarHBondContact N-O 3.42Å; N258-R261 HydrophobicContact CB-CG 3.82Å
259	Y	98.8	Very high	98.7	Very high	73 Å²	73	50.4 Å²	50.4	29%	0.286	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	157.4	169.7	-61.6	-66.3	0	0	0	110.9	T231 L233 V235 I236 V257 R261	T231-Y259 HydrophobicContact CG2-CD1 3.62Å; T231-Y259 HydrophobicContact CG2-CE1 4.09Å; T231-Y259 HydrophobicContact CG2-CG 4.5Å; T231-Y259 CarbonylContact O-C 3.14Å; L233-Y259 WeakPolarHBondContact O-CB 3.19Å; L233-Y259 WeakPolarHBondContact O-CD1 3.42Å; V235-Y259 VanDerWaalsContact C-CE1 3.44Å; I236-Y259 HydrophobicContact CB-CE1 4.5Å; V257-Y259 HydrophobicContact CG1-CD1 4.12Å; V257-Y259 HydrophobicContact CG1-CD2 4.48Å; V257-Y259 HydrophobicContact CG1-CE1 3.63Å; V257-Y259 HydrophobicContact CG1-CE2 4.07Å; Y259-R261 VanDerWaalsContact C-N 3.26Å; Y259-R261 PolarHBondContact O-N 3.1Å; Y259-R261 PolarHBondContact O-NH1 3.45Å
260	R	98.6	Very high	98.7	Very high	72 Å²	72	55.7 Å²	55.7	27%	0.272	27%	0.265	S	S	.	.	S	Bend	trans	56.7	41.4	174.8	-51.2	-67.2	-67.7	145.9	1.9	112.1	T231 S232 L233 L278 D279	T231-R260 WeakPolarHBondContact O-CA 3.36Å; T231-R260 PolarHBondContact O-N 3.21Å; S232-R260 PolarHBondContact O-NH1 3.12Å; L233-R260 PolarHBondContact O-N 2.76Å; L233-R260 VanDerWaalsContact O-N 3.14Å; R260-L278 HydrophobicContact CB-CB 4.23Å; R260-L278 PolarHBondContact NH2-O 3.03Å; R260-L278 PolarHBondContact O-N 2.95Å; R260-D279 WeakPolarHBondContact CB-OD2 3.21Å; R260-D279 WeakPolarHBondContact CG-OD1 3.48Å; R260-D279 WeakPolarHBondContact CG-OD2 3.2Å; R260-D279 IonicContact CZ-OD1 3.55Å; R260-D279 IonicContact NE-OD1 2.65Å; R260-D279 PolarHBondContact NE-OD1 3.27Å; R260-D279 IonicContact NH2-OD1 3.07Å; R260-D279 PolarHBondContact NH2-OD1 3.45Å
261	R	98.8	Very high	98.7	Very high	38 Å²	38	57.5 Å²	57.5	14%	0.143	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	114.6	172.5	-68.4	-61.2	178.4	-75.4	0.8	111.1	N230 T231 S232 N258 Y259 F275 E276 N277 E285	N230-R261 CarbonylContact C-O 3.55Å; N230-R261 HydrophobicContact CB-CB 3.88Å; T231-R261 CarbonylContact C-O 3.54Å; T231-R261 PolarHBondContact N-O 3.16Å; T231-R261 PolarHBondContact O-N 2.72Å; S232-R261 PolarHBondContact N-O 3.06Å; N258-R261 HydrophobicContact CB-CG 3.82Å; Y259-R261 VanDerWaalsContact C-N 3.26Å; Y259-R261 PolarHBondContact O-N 3.1Å; Y259-R261 PolarHBondContact O-NH1 3.45Å; R261-F275 HydrophobicContact CB-CD1 4.36Å; R261-E276 WeakPolarHBondContact CA-O 3.37Å; R261-N277 VanDerWaalsContact NH1-CG 3.26Å; R261-N277 PolarHBondContact NH1-OD1 3.02Å; R261-N277 VanDerWaalsContact NH1-OD1 3.15Å; R261-N277 PolarHBondContact NH2-ND2 3.15Å; R261-E285 IonicContact CZ-OE1 2.76Å; R261-E285 IonicContact NE-OE1 3.88Å; R261-E285 PolarHBondContact NE-OE1 3.04Å; R261-E285 IonicContact NE-OE2 2.71Å; R261-E285 PolarHBondContact NE-OE2 3.06Å; R261-E285 VanDerWaalsContact NE-OE2 3.13Å; R261-E285 IonicContact NH2-OE1 3.75Å; R261-E285 PolarHBondContact NH2-OE1 3.33Å
262	N	98.9	Very high	98.8	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143	174.8	-177.5	42.1	0	0	0	110.5	P195 N196 S232 F275 E276 L278	P195-N262 WeakPolarHBondContact CA-OD1 3.35Å; N196-N262 HydrophobicContact CB-CB 4.22Å; N196-N262 PolarHBondContact N-OD1 2.85Å; N196-N262 VanDerWaalsContact N-OD1 3.15Å; S232-N262 WeakPolarHBondContact OG-CA 3.4Å; S232-N262 WeakPolarHBondContact OG-CB 3.49Å; S232-N262 PolarHBondContact OG-OD1 3.42Å; N262-F275 CarbonylContact O-C 3.54Å; N262-F275 WeakPolarHBondContact O-CA 3.46Å; N262-F275 WeakPolarHBondContact O-CD1 3.34Å; N262-E276 HydrophobicContact CB-CG 3.74Å; N262-E276 WeakPolarHBondContact CB-OE1 3.41Å; N262-E276 PolarHBondContact N-O 3.22Å; N262-E276 PolarHBondContact ND2-OE1 3.03Å; N262-E276 PolarHBondContact O-N 2.94Å; N262-L278 HydrophobicContact CB-CD1 4.16Å; N262-L278 HydrophobicContact CB-CD2 4.14Å; N262-L278 HydrophobicContact CB-CG 4.25Å
263	L	98.9	Very high	98.8	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.4	176.3	177	67.3	0	0	0	109.4	I154 T193 V266 A273 F275 V294	I154-L263 HydrophobicContact CD1-CD2 3.82Å; I154-L263 HydrophobicContact CD1-CG 4.25Å; I154-L263 HydrophobicContact CG1-CG 4.45Å; I154-L263 HydrophobicContact CG2-CD2 4.16Å; I154-L263 HydrophobicContact CG2-CG 4.03Å; T193-L263 HydrophobicContact CG2-CB 4.2Å; T193-L263 HydrophobicContact CG2-CD2 4Å; L263-V266 HydrophobicContact CD1-CG2 3.98Å; L263-V266 HydrophobicContact CD2-CG2 3.92Å; L263-V266 HydrophobicContact CG-CG2 4.31Å; L263-A273 HydrophobicContact CD1-CB 3.91Å; L263-F275 HydrophobicContact CB-CD1 4.11Å; L263-F275 HydrophobicContact CB-CE1 3.74Å; L263-F275 HydrophobicContact CB-CZ 4.4Å; L263-F275 HydrophobicContact CD1-CD1 4.44Å; L263-F275 HydrophobicContact CD1-CE1 3.96Å; L263-F275 HydrophobicContact CD1-CE2 4.16Å; L263-F275 HydrophobicContact CD1-CZ 3.8Å; L263-F275 HydrophobicContact CG-CE1 4.42Å; L263-V294 HydrophobicContact CD2-CG1 3.99Å; L263-V294 HydrophobicContact CD2-CG2 3.94Å
264	I	98.9	Very high	98.8	Very high	55 Å²	55	45 Å²	45	28%	0.282	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-27.8	-176.6	57.4	162.4	0	0	0	114.5	K155 V274 E276 T284	K155-I264 PolarHBondContact N-O 2.75Å; I264-V274 HydrophobicContact CD1-CG1 4.33Å; I264-V274 HydrophobicContact CG1-CB 4.36Å; I264-V274 HydrophobicContact CG1-CG1 4.31Å; I264-V274 VanDerWaalsContact CG1-O 3.3Å; I264-V274 WeakPolarHBondContact CG1-O 3.07Å; I264-V274 PolarHBondContact N-O 3.4Å; I264-E276 HydrophobicContact CD1-CB 4.27Å; I264-E276 HydrophobicContact CG2-CB 4.22Å; I264-E276 HydrophobicContact CG2-CG 3.78Å; I264-T284 HydrophobicContact CD1-CG2 3.83Å
265	E	98.9	Very high	98.8	Very high	29 Å²	29	38.9 Å²	38.9	14%	0.136	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.5	175.9	175.6	-179.8	-132.9	0	0	110.6	K155 R267 V274	K155-E265 HydrophobicContact CB-CB 4.03Å; K155-E265 HydrophobicContact CB-CG 4.1Å; K155-E265 HydrophobicContact CD-CG 4.1Å; K155-E265 VanDerWaalsContact CD-OE1 3.29Å; K155-E265 WeakPolarHBondContact CD-OE1 3.37Å; K155-E265 WeakPolarHBondContact CE-OE1 3.12Å; K155-E265 HydrophobicContact CG-CG 4.2Å; K155-E265 IonicContact NZ-OE1 3.87Å; K155-E265 PolarHBondContact NZ-OE1 3.38Å; K155-E265 CarbonylContact O-C 3.59Å; K155-E265 WeakPolarHBondContact O-CA 3.48Å; E265-R267 HydrophobicContact CG-CG 4.1Å; E265-R267 IonicContact OE1-NE 3.21Å; E265-R267 IonicContact OE2-CZ 3.82Å; E265-R267 IonicContact OE2-NE 3.81Å; E265-R267 PolarHBondContact OE2-NE 2.89Å; E265-R267 IonicContact OE2-NH2 3.65Å; E265-R267 PolarHBondContact OE2-NH2 2.75Å; E265-V274 HydrophobicContact CB-CB 3.97Å; E265-V274 HydrophobicContact CB-CG2 3.93Å; E265-V274 HydrophobicContact CG-CG2 4.21Å; E265-V274 PolarHBondContact N-O 2.94Å; E265-V274 PolarHBondContact O-N 3Å; E265-V274 WeakPolarHBondContact OE2-CG2 3.38Å
266	V	98.9	Very high	98.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.4	167.9	178.2	0	0	0	0	109.4	I154 K155 L157 I166 L263 A268 Y289 L292	I154-V266 HydrophobicContact CG2-CG2 3.94Å; K155-V266 PolarHBondContact O-N 3.07Å; L157-V266 HydrophobicContact CD1-CG2 4.18Å; L157-V266 HydrophobicContact CD2-CB 4.27Å; L157-V266 HydrophobicContact CD2-CG1 4.45Å; L157-V266 HydrophobicContact CD2-CG2 4.49Å; L157-V266 HydrophobicContact CG-CB 4.3Å; L157-V266 HydrophobicContact CG-CG2 4.28Å; I166-V266 HydrophobicContact CD1-CG1 3.91Å; L263-V266 HydrophobicContact CD1-CG2 3.98Å; L263-V266 HydrophobicContact CD2-CG2 3.92Å; L263-V266 HydrophobicContact CG-CG2 4.31Å; V266-A268 HydrophobicContact CG1-CB 4.08Å; V266-Y289 HydrophobicContact CG1-CE1 4.31Å; V266-L292 HydrophobicContact CG1-CD2 4.01Å; V266-L292 HydrophobicContact CG2-CD2 3.81Å
267	R	98.9	Very high	98.8	Very high	73 Å²	73	40 Å²	40	28%	0.275	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	80.4	174.5	-52.3	163.9	-170.3	161	3.4	107.2	E265 D269 K270 Q271 E272	E265-R267 HydrophobicContact CG-CG 4.1Å; E265-R267 IonicContact OE1-NE 3.21Å; E265-R267 IonicContact OE2-CZ 3.82Å; E265-R267 IonicContact OE2-NE 3.81Å; E265-R267 PolarHBondContact OE2-NE 2.89Å; E265-R267 IonicContact OE2-NH2 3.65Å; E265-R267 PolarHBondContact OE2-NH2 2.75Å; R267-D269 PolarHBondContact O-N 3.46Å; R267-K270 HydrophobicContact CB-CB 4.32Å; R267-K270 CarbonylContact O-C 3.57Å; R267-K270 PolarHBondContact O-N 3.39Å; R267-K270 VanDerWaalsContact O-N 3.09Å; R267-Q271 PolarHBondContact O-N 3.07Å; R267-E272 HydrophobicContact CB-CB 4.19Å; R267-E272 WeakPolarHBondContact CD-OE2 3.34Å; R267-E272 IonicContact CZ-OE2 2.85Å; R267-E272 PolarHBondContact N-O 3.42Å; R267-E272 IonicContact NE-OE2 3.75Å; R267-E272 IonicContact NH1-OE2 3.21Å; R267-E272 PolarHBondContact NH1-OE2 3.5Å; R267-E272 PolarHBondContact O-N 2.89Å; R267-E272 VanDerWaalsContact O-N 3.1Å
268	A	98.8	Very high	98.8	Very high	6 Å²	6	40 Å²	40	5%	0.05	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.7	-166.1	0	0	0	0	0	113.8	G160 H163 V266	G160-A268 WeakPolarHBondContact O-CB 3.47Å; H163-A268 HydrophobicContact CB-CB 3.82Å; V266-A268 HydrophobicContact CG1-CB 4.08Å
269	D	98.3	Very high	98.7	Very high	91 Å²	91	42.1 Å²	42.1	49%	0.487	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-47.9	166.2	60.9	-38.9	0	0	0	111.4	R267	R267-D269 PolarHBondContact O-N 3.46Å
270	K	98.7	Very high	98.7	Very high	120 Å²	120	45 Å²	45	52%	0.522	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.3	-177.9	-68.8	167.7	-168.7	-177.6	0	114.2	R267 E272 Q288	R267-K270 HydrophobicContact CB-CB 4.32Å; R267-K270 CarbonylContact O-C 3.57Å; R267-K270 PolarHBondContact O-N 3.39Å; R267-K270 VanDerWaalsContact O-N 3.09Å; K270-E272 VanDerWaalsContact C-N 3.27Å; K270-E272 HydrophobicContact CB-CG 4.01Å; K270-E272 PolarHBondContact O-N 2.88Å; K270-Q288 PolarHBondContact O-NE2 3Å; K270-Q288 PolarHBondContact O-OE1 2.59Å
271	Q	98.8	Very high	98.5	Very high	56 Å²	56	47.3 Å²	47.3	26%	0.262	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	38.4	-173.2	-66	139.1	75.9	0	0	112.9	K165 R267 Q288 Y289	K165-Q271 HydrophobicContact CD-CG 4.16Å; R267-Q271 PolarHBondContact O-N 3.07Å; Q271-Q288 CarbonylContact O-C 3.57Å; Q271-Q288 WeakPolarHBondContact O-CA 3.13Å; Q271-Q288 PolarHBondContact O-OE1 2.85Å; Q271-Y289 VanDerWaalsContact C-CD1 3.5Å; Q271-Y289 HydrophobicContact CB-CD2 4.39Å; Q271-Y289 HydrophobicContact CB-CE2 4.24Å; Q271-Y289 WeakPolarHBondContact CB-O 3.22Å; Q271-Y289 HydrophobicContact CG-CE2 4.32Å; Q271-Y289 WeakPolarHBondContact O-CD1 3.45Å; Q271-Y289 WeakPolarHBondContact O-CE1 3.49Å; Q271-Y289 PolarHBondContact O-N 2.85Å
272	E	98.9	Very high	98.3	Very high	39 Å²	39	49.2 Å²	49.2	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.1	176.1	-61.4	178.2	164.3	0	0	111.8	R267 K270 V286 Q288	R267-E272 HydrophobicContact CB-CB 4.19Å; R267-E272 WeakPolarHBondContact CD-OE2 3.34Å; R267-E272 IonicContact CZ-OE2 2.85Å; R267-E272 PolarHBondContact N-O 3.42Å; R267-E272 IonicContact NE-OE2 3.75Å; R267-E272 IonicContact NH1-OE2 3.21Å; R267-E272 PolarHBondContact NH1-OE2 3.5Å; R267-E272 PolarHBondContact O-N 2.89Å; R267-E272 VanDerWaalsContact O-N 3.1Å; K270-E272 VanDerWaalsContact C-N 3.27Å; K270-E272 HydrophobicContact CB-CG 4.01Å; K270-E272 PolarHBondContact O-N 2.88Å; E272-V286 HydrophobicContact CB-CG1 3.9Å; E272-V286 HydrophobicContact CG-CG1 4.01Å; E272-Q288 HydrophobicContact CG-CG 4.38Å; E272-Q288 PolarHBondContact OE1-NE2 3.44Å
273	A	98.9	Very high	98.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.6	169.7	0	0	0	0	0	109.3	L263 F275 H287 Y289 L292	L263-A273 HydrophobicContact CD1-CB 3.91Å; A273-F275 HydrophobicContact CB-CD2 4.44Å; A273-F275 HydrophobicContact CB-CE2 3.58Å; A273-F275 HydrophobicContact CB-CZ 4.13Å; A273-H287 PolarHBondContact N-O 2.82Å; A273-H287 PolarHBondContact O-N 3.14Å; A273-Y289 HydrophobicContact CB-CD1 3.99Å; A273-Y289 HydrophobicContact CB-CE1 4.26Å; A273-L292 HydrophobicContact CB-CD1 4.39Å; A273-L292 HydrophobicContact CB-CD2 4.11Å
274	V	98.9	Very high	98.2	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.5	-178	-167	0	0	0	0	109.8	I264 E265 E285 V286	I264-V274 HydrophobicContact CD1-CG1 4.33Å; I264-V274 HydrophobicContact CG1-CB 4.36Å; I264-V274 HydrophobicContact CG1-CG1 4.31Å; I264-V274 VanDerWaalsContact CG1-O 3.3Å; I264-V274 WeakPolarHBondContact CG1-O 3.07Å; I264-V274 PolarHBondContact N-O 3.4Å; E265-V274 HydrophobicContact CB-CB 3.97Å; E265-V274 HydrophobicContact CB-CG2 3.93Å; E265-V274 HydrophobicContact CG-CG2 4.21Å; E265-V274 PolarHBondContact N-O 2.94Å; E265-V274 PolarHBondContact O-N 3Å; E265-V274 WeakPolarHBondContact OE2-CG2 3.38Å; V274-E285 WeakPolarHBondContact CA-O 3.2Å; V274-V286 HydrophobicContact CG1-CG2 4.32Å; V274-V286 HydrophobicContact CG2-CG2 4.23Å
275	F	98.9	Very high	98.2	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.2	-179	-65.4	-93.4	0	0	0	111.1	I191 T193 N230 R261 N262 L263 A273 T284 E285 H287	I191-F275 HydrophobicContact CG2-CE2 4.19Å; I191-F275 HydrophobicContact CG2-CZ 3.71Å; T193-F275 HydrophobicContact CG2-CE1 3.65Å; T193-F275 HydrophobicContact CG2-CZ 3.71Å; N230-F275 HydrophobicContact CB-CD1 3.6Å; N230-F275 HydrophobicContact CB-CE1 3.29Å; N230-F275 HydrophobicContact CB-CG 4.4Å; N230-F275 HydrophobicContact CB-CZ 3.87Å; N230-F275 WeakPolarHBondContact ND2-CD1 3.48Å; N230-F275 VanDerWaalsContact ND2-CD2 3.27Å; N230-F275 WeakPolarHBondContact ND2-CD2 3.38Å; N230-F275 WeakPolarHBondContact ND2-CE1 3.47Å; N230-F275 WeakPolarHBondContact ND2-CE2 3.19Å; N230-F275 WeakPolarHBondContact ND2-CG 3.34Å; N230-F275 WeakPolarHBondContact ND2-CZ 3.11Å; R261-F275 HydrophobicContact CB-CD1 4.36Å; N262-F275 CarbonylContact O-C 3.54Å; N262-F275 WeakPolarHBondContact O-CA 3.46Å; N262-F275 WeakPolarHBondContact O-CD1 3.34Å; L263-F275 HydrophobicContact CB-CD1 4.11Å; L263-F275 HydrophobicContact CB-CE1 3.74Å; L263-F275 HydrophobicContact CB-CZ 4.4Å; L263-F275 HydrophobicContact CD1-CD1 4.44Å; L263-F275 HydrophobicContact CD1-CE1 3.96Å; L263-F275 HydrophobicContact CD1-CE2 4.16Å; L263-F275 HydrophobicContact CD1-CZ 3.8Å; L263-F275 HydrophobicContact CG-CE1 4.42Å; A273-F275 HydrophobicContact CB-CD2 4.44Å; A273-F275 HydrophobicContact CB-CE2 3.58Å; A273-F275 HydrophobicContact CB-CZ 4.13Å; F275-T284 CarbonylContact O-C 3.59Å; F275-T284 WeakPolarHBondContact O-CA 3.27Å; F275-E285 PolarHBondContact N-O 3.1Å; F275-E285 PolarHBondContact O-N 2.66Å; F275-H287 HydrophobicContact CD2-CB 4.43Å; F275-H287 AromaticContact CD2-CD2 3.71Å; F275-H287 HydrophobicContact CE2-CB 4.31Å
276	E	98.8	Very high	98.2	Very high	61 Å²	61	57.3 Å²	57.3	29%	0.285	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	147.9	165.5	63.1	-179.7	156.8	0	0	110.8	R261 N262 I264 L278 T284	R261-E276 WeakPolarHBondContact CA-O 3.37Å; N262-E276 HydrophobicContact CB-CG 3.74Å; N262-E276 WeakPolarHBondContact CB-OE1 3.41Å; N262-E276 PolarHBondContact N-O 3.22Å; N262-E276 PolarHBondContact ND2-OE1 3.03Å; N262-E276 PolarHBondContact O-N 2.94Å; I264-E276 HydrophobicContact CD1-CB 4.27Å; I264-E276 HydrophobicContact CG2-CB 4.22Å; I264-E276 HydrophobicContact CG2-CG 3.78Å; E276-L278 HydrophobicContact CG-CD2 3.84Å; E276-T284 HydrophobicContact CB-CG2 4.49Å
277	N	98.5	Very high	98.2	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.064	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.6	171	-177.3	-13.5	0	0	0	110	R261 D279 K280 V283	R261-N277 VanDerWaalsContact NH1-CG 3.26Å; R261-N277 PolarHBondContact NH1-OD1 3.02Å; R261-N277 VanDerWaalsContact NH1-OD1 3.15Å; R261-N277 PolarHBondContact NH2-ND2 3.15Å; N277-D279 PolarHBondContact O-N 3.3Å; N277-D279 VanDerWaalsContact O-N 3.15Å; N277-D279 PolarHBondContact OD1-N 3.15Å; N277-K280 HydrophobicContact CB-CB 4.25Å; N277-K280 CarbonylContact O-C 3.6Å; N277-K280 PolarHBondContact O-N 2.78Å; N277-K280 VanDerWaalsContact O-O 3.13Å; N277-K280 PolarHBondContact OD1-N 3.48Å; N277-V283 HydrophobicContact CB-CB 4.24Å; N277-V283 HydrophobicContact CB-CG1 4.46Å; N277-V283 PolarHBondContact N-O 2.87Å
278	L	98.1	Very high	98.2	Very high	27 Å²	27	60.1 Å²	60.1	14%	0.141	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.6	-176.3	-59.8	179.3	0	0	0	114.1	N196 S232 R260 N262 E276	N196-L278 HydrophobicContact CB-CD1 4.22Å; S232-L278 WeakPolarHBondContact O-CD1 3.48Å; R260-L278 HydrophobicContact CB-CB 4.23Å; R260-L278 PolarHBondContact NH2-O 3.03Å; R260-L278 PolarHBondContact O-N 2.95Å; N262-L278 HydrophobicContact CB-CD1 4.16Å; N262-L278 HydrophobicContact CB-CD2 4.14Å; N262-L278 HydrophobicContact CB-CG 4.25Å; E276-L278 HydrophobicContact CG-CD2 3.84Å
279	D	98	Very high	98.2	Very high	101 Å²	101	60.1 Å²	60.1	54%	0.54	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-6.9	172	-55.4	-26.5	0	0	0	112.4	R260 N277	R260-D279 WeakPolarHBondContact CB-OD2 3.21Å; R260-D279 WeakPolarHBondContact CG-OD1 3.48Å; R260-D279 WeakPolarHBondContact CG-OD2 3.2Å; R260-D279 IonicContact CZ-OD1 3.55Å; R260-D279 IonicContact NE-OD1 2.65Å; R260-D279 PolarHBondContact NE-OD1 3.27Å; R260-D279 IonicContact NH2-OD1 3.07Å; R260-D279 PolarHBondContact NH2-OD1 3.45Å; N277-D279 PolarHBondContact O-N 3.3Å; N277-D279 VanDerWaalsContact O-N 3.15Å; N277-D279 PolarHBondContact OD1-N 3.15Å
280	K	97.6	Very high	98.2	Very high	134 Å²	134	56.9 Å²	56.9	58%	0.583	31%	0.312	S	S	*	.	S	Bend	trans	-137.3	76.2	174.8	-58.4	-170.8	-176.5	-173.5	0	109.7	N277 G282 V283	N277-K280 HydrophobicContact CB-CB 4.25Å; N277-K280 CarbonylContact O-C 3.6Å; N277-K280 PolarHBondContact O-N 2.78Å; N277-K280 VanDerWaalsContact O-O 3.13Å; N277-K280 PolarHBondContact OD1-N 3.48Å; K280-G282 PolarHBondContact O-N 3.07Å; K280-V283 HydrophobicContact CB-CB 4.08Å; K280-V283 HydrophobicContact CB-CG2 3.77Å; K280-V283 VanDerWaalsContact O-CB 3.29Å; K280-V283 WeakPolarHBondContact O-CB 3.4Å; K280-V283 WeakPolarHBondContact O-CG2 3.27Å; K280-V283 PolarHBondContact O-N 3.06Å
281	P	94.6	Very high	98.2	Very high	120 Å²	120	51.1 Å²	51.1	78%	0.779	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	138.1	-177.9	-28.6	36.2	0	0	0	112.8	V283	P281-V283 VanDerWaalsContact C-N 3.26Å; P281-V283 PolarHBondContact O-N 3.15Å
282	G	95.2	Very high	98.2	Very high	78 Å²	78	48.5 Å²	48.5	80%	0.804	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-17.7	-174.5	0	0	0	0	0	115.1	K280	K280-G282 PolarHBondContact O-N 3.07Å
283	V	98.1	Very high	98.2	Very high	67 Å²	67	46.6 Å²	46.6	41%	0.406	27%	0.266	S	S	.	.			trans	-79.2	124.6	172.1	-178.6	0	0	0	0	109.6	N277 K280 P281	N277-V283 HydrophobicContact CB-CB 4.24Å; N277-V283 HydrophobicContact CB-CG1 4.46Å; N277-V283 PolarHBondContact N-O 2.87Å; K280-V283 HydrophobicContact CB-CB 4.08Å; K280-V283 HydrophobicContact CB-CG2 3.77Å; K280-V283 VanDerWaalsContact O-CB 3.29Å; K280-V283 WeakPolarHBondContact O-CB 3.4Å; K280-V283 WeakPolarHBondContact O-CG2 3.27Å; K280-V283 PolarHBondContact O-N 3.06Å; P281-V283 VanDerWaalsContact C-N 3.26Å; P281-V283 PolarHBondContact O-N 3.15Å
284	T	98.4	Very high	98.2	Very high	80 Å²	80	46.6 Å²	46.6	49%	0.491	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.2	175.1	56.4	0	0	0	0	111.5	I264 F275 E276	I264-T284 HydrophobicContact CD1-CG2 3.83Å; F275-T284 CarbonylContact O-C 3.59Å; F275-T284 WeakPolarHBondContact O-CA 3.27Å; E276-T284 HydrophobicContact CB-CG2 4.49Å
285	E	98.2	Very high	98.2	Very high	52 Å²	52	46.4 Å²	46.4	24%	0.243	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.7	-179.2	-62.1	169.6	-171.6	0	0	109.1	R261 V274 F275 H287	R261-E285 IonicContact CZ-OE1 2.76Å; R261-E285 IonicContact NE-OE1 3.88Å; R261-E285 PolarHBondContact NE-OE1 3.04Å; R261-E285 IonicContact NE-OE2 2.71Å; R261-E285 PolarHBondContact NE-OE2 3.06Å; R261-E285 VanDerWaalsContact NE-OE2 3.13Å; R261-E285 IonicContact NH2-OE1 3.75Å; R261-E285 PolarHBondContact NH2-OE1 3.33Å; V274-E285 WeakPolarHBondContact CA-O 3.2Å; F275-E285 PolarHBondContact N-O 3.1Å; F275-E285 PolarHBondContact O-N 2.66Å; E285-H287 WeakPolarHBondContact CB-NE2 3.33Å; E285-H287 IonicContact OE2-CE1 2.7Å; E285-H287 IonicContact OE2-NE2 3.67Å; E285-H287 PolarHBondContact OE2-NE2 2.88Å
286	V	98.7	Very high	98.2	Very high	76 Å²	76	46.4 Å²	46.4	46%	0.461	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.1	175.1	-173.9	0	0	0	0	109	E272 V274	E272-V286 HydrophobicContact CB-CG1 3.9Å; E272-V286 HydrophobicContact CG-CG1 4.01Å; V274-V286 HydrophobicContact CG1-CG2 4.32Å; V274-V286 HydrophobicContact CG2-CG2 4.23Å
287	H	98.5	Very high	98.2	Very high	43 Å²	43	44 Å²	44	20%	0.199	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.5	-179	-68.1	-106.5	0	0	0	110.1	I191 A273 F275 E285	I191-H287 HydrophobicContact CD1-CB 3.68Å; A273-H287 PolarHBondContact N-O 2.82Å; A273-H287 PolarHBondContact O-N 3.14Å; F275-H287 HydrophobicContact CD2-CB 4.43Å; F275-H287 AromaticContact CD2-CD2 3.71Å; F275-H287 HydrophobicContact CE2-CB 4.31Å; E285-H287 WeakPolarHBondContact CB-NE2 3.33Å; E285-H287 IonicContact OE2-CE1 2.7Å; E285-H287 IonicContact OE2-NE2 3.67Å; E285-H287 PolarHBondContact OE2-NE2 2.88Å
288	Q	98.7	Very high	98.2	Very high	94 Å²	94	43.7 Å²	43.7	44%	0.439	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.9	169.3	-85.6	-76.3	-21.6	0	0	111	N189 K270 Q271 E272	N189-Q288 VanDerWaalsContact CB-O 3.31Å; N189-Q288 WeakPolarHBondContact CB-O 3.41Å; N189-Q288 PolarHBondContact ND2-O 3.4Å; K270-Q288 PolarHBondContact O-NE2 3Å; K270-Q288 PolarHBondContact O-OE1 2.59Å; Q271-Q288 CarbonylContact O-C 3.57Å; Q271-Q288 WeakPolarHBondContact O-CA 3.13Å; Q271-Q288 PolarHBondContact O-OE1 2.85Å; E272-Q288 HydrophobicContact CG-CG 4.38Å; E272-Q288 PolarHBondContact OE1-NE2 3.44Å
289	Y	98.9	Very high	98.2	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.027	25%	0.25	C	C	.	.			trans	-136	140	-177.7	68.8	-102.7	0	0	0	115.5	K165 V266 Q271 A273 L292	K165-Y289 HydrophobicContact CB-CD2 4.36Å; K165-Y289 HydrophobicContact CB-CE2 4.07Å; V266-Y289 HydrophobicContact CG1-CE1 4.31Å; Q271-Y289 VanDerWaalsContact C-CD1 3.5Å; Q271-Y289 HydrophobicContact CB-CD2 4.39Å; Q271-Y289 HydrophobicContact CB-CE2 4.24Å; Q271-Y289 WeakPolarHBondContact CB-O 3.22Å; Q271-Y289 HydrophobicContact CG-CE2 4.32Å; Q271-Y289 WeakPolarHBondContact O-CD1 3.45Å; Q271-Y289 WeakPolarHBondContact O-CE1 3.49Å; Q271-Y289 PolarHBondContact O-N 2.85Å; A273-Y289 HydrophobicContact CB-CD1 3.99Å; A273-Y289 HydrophobicContact CB-CE1 4.26Å; Y289-L292 HydrophobicContact CD1-CB 3.98Å; Y289-L292 HydrophobicContact CD1-CD2 4.05Å; Y289-L292 HydrophobicContact CD2-CB 3.6Å; Y289-L292 HydrophobicContact CE1-CB 4.04Å; Y289-L292 HydrophobicContact CE1-CD2 3.62Å; Y289-L292 HydrophobicContact CE1-CG 4.44Å; Y289-L292 HydrophobicContact CE2-CB 3.68Å; Y289-L292 HydrophobicContact CG-CB 3.77Å
290	E	98.9	Very high	98.3	Very high	22 Å²	22	38.4 Å²	38.4	10%	0.103	23%	0.227	C	C	.	.	S	Bend	trans	-92.3	-26.1	165.9	179	65.6	-171.2	0	0	111.4	K165 F185 K186 E187 N189	K165-E290 WeakPolarHBondContact CB-O 3.47Å; K165-E290 WeakPolarHBondContact CD-O 3.5Å; K165-E290 WeakPolarHBondContact CE-OE2 3.21Å; K165-E290 VanDerWaalsContact CG-O 3.3Å; K165-E290 WeakPolarHBondContact CG-O 3.42Å; K165-E290 IonicContact NZ-OE1 3.89Å; K165-E290 IonicContact NZ-OE2 2.62Å; K165-E290 PolarHBondContact NZ-OE2 2.96Å; F185-E290 HydrophobicContact CB-CG 4.42Å; F185-E290 HydrophobicContact CD1-CG 4.35Å; F185-E290 HydrophobicContact CD2-CB 3.88Å; F185-E290 HydrophobicContact CD2-CG 3.35Å; F185-E290 HydrophobicContact CE1-CG 4.41Å; F185-E290 HydrophobicContact CE2-CB 3.57Å; F185-E290 HydrophobicContact CE2-CG 3.44Å; F185-E290 VanDerWaalsContact CE2-CG 3.44Å; F185-E290 HydrophobicContact CG-CG 3.81Å; F185-E290 HydrophobicContact CZ-CB 4.24Å; F185-E290 HydrophobicContact CZ-CG 3.96Å; K186-E290 PolarHBondContact N-OE1 3.42Å; E187-E290 WeakPolarHBondContact O-CB 3.46Å; E187-E290 VanDerWaalsContact O-CG 3.26Å; E187-E290 WeakPolarHBondContact O-CG 3.47Å; N189-E290 PolarHBondContact O-N 2.94Å
291	M	98.9	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.5	165.7	173	178	179.2	0	0	110.3	K165 T178 A181 L182 F185 N189 A190 I191 F192 W216	K165-M291 CarbonylContact O-C 3.43Å; K165-M291 WeakPolarHBondContact O-CA 3.41Å; T178-M291 HydrophobicContact CG2-CE 3.75Å; A181-M291 HydrophobicContact CB-CG 4.11Å; L182-M291 HydrophobicContact CB-CE 4.08Å; L182-M291 HydrophobicContact CB-SD 4.06Å; L182-M291 HydrophobicContact CD1-SD 4.18Å; F185-M291 HydrophobicContact CD2-CB 3.83Å; F185-M291 HydrophobicContact CE2-CB 4.46Å; N189-M291 PolarHBondContact O-N 3.46Å; N189-M291 VanDerWaalsContact O-N 3.08Å; A190-M291 CarbonylContact C-O 3.6Å; A190-M291 WeakPolarHBondContact CA-O 3.28Å; A190-M291 HydrophobicContact CB-CB 4.48Å; I191-M291 PolarHBondContact N-O 3.28Å; F192-M291 HydrophobicContact CE1-CE 4.15Å; F192-M291 HydrophobicContact CZ-CE 4.28Å; F192-M291 HydrophobicContact CZ-SD 4.36Å; W216-M291 HydrophobicContact CH2-SD 3.67Å; W216-M291 HydrophobicContact CZ2-SD 3.64Å
292	L	99	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.7	171.7	177.8	64	0	0	0	111	K165 I166 G167 I191 T193 V266 A273 Y289 V294	K165-L292 PolarHBondContact O-N 2.81Å; I166-L292 CarbonylContact C-O 3.59Å; I166-L292 WeakPolarHBondContact CA-O 3.31Å; I166-L292 HydrophobicContact CD1-CD2 3.96Å; I166-L292 HydrophobicContact CG1-CB 4.31Å; I166-L292 HydrophobicContact CG1-CD2 4.18Å; I166-L292 HydrophobicContact CG1-CG 4.32Å; G167-L292 PolarHBondContact N-O 2.84Å; I191-L292 HydrophobicContact CB-CD1 3.95Å; I191-L292 HydrophobicContact CG2-CD1 4.02Å; I191-L292 CarbonylContact O-C 3.58Å; I191-L292 WeakPolarHBondContact O-CA 3.46Å; T193-L292 HydrophobicContact CG2-CD1 3.98Å; V266-L292 HydrophobicContact CG1-CD2 4.01Å; V266-L292 HydrophobicContact CG2-CD2 3.81Å; A273-L292 HydrophobicContact CB-CD1 4.39Å; A273-L292 HydrophobicContact CB-CD2 4.11Å; Y289-L292 HydrophobicContact CD1-CB 3.98Å; Y289-L292 HydrophobicContact CD1-CD2 4.05Å; Y289-L292 HydrophobicContact CD2-CB 3.6Å; Y289-L292 HydrophobicContact CE1-CB 4.04Å; Y289-L292 HydrophobicContact CE1-CD2 3.62Å; Y289-L292 HydrophobicContact CE1-CG 4.44Å; Y289-L292 HydrophobicContact CE2-CB 3.68Å; Y289-L292 HydrophobicContact CG-CB 3.77Å; L292-V294 HydrophobicContact CD1-CG2 4.44Å; L292-V294 HydrophobicContact CD2-CG2 3.87Å; L292-V294 HydrophobicContact CG-CG2 3.84Å
293	H	98.9	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.8	165.4	173.8	-82.5	0	0	0	110.4	G167 N169 I191 F192 T193	G167-H293 WeakPolarHBondContact O-CA 3.14Å; N169-H293 PolarHBondContact N-NE2 2.59Å; I191-H293 PolarHBondContact O-N 3.43Å; F192-H293 HydrophobicContact CD1-CB 3.53Å; F192-H293 HydrophobicContact CE1-CB 3.86Å; F192-H293 HydrophobicContact CG-CB 4.41Å; T193-H293 PolarHBondContact N-O 3.38Å; T193-H293 VanDerWaalsContact N-O 3.11Å
294	V	98.9	Very high	98.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-88.2	126.8	178.4	-179.8	0	0	0	0	110.7	I154 L157 F161 I166 G167 S168 L263 L292	I154-V294 HydrophobicContact CD1-CG1 3.64Å; L157-V294 HydrophobicContact CD1-CB 4.39Å; L157-V294 HydrophobicContact CD1-CG1 3.84Å; L157-V294 HydrophobicContact CD1-CG2 4.01Å; F161-V294 HydrophobicContact CZ-CB 4.33Å; I166-V294 HydrophobicContact CD1-CG2 4.01Å; I166-V294 HydrophobicContact CG1-CG2 4.21Å; G167-V294 PolarHBondContact O-N 2.88Å; S168-V294 WeakPolarHBondContact CB-O 3.46Å; S168-V294 PolarHBondContact OG-O 2.86Å; L263-V294 HydrophobicContact CD2-CG1 3.99Å; L263-V294 HydrophobicContact CD2-CG2 3.94Å; L292-V294 HydrophobicContact CD1-CG2 4.44Å; L292-V294 HydrophobicContact CD2-CG2 3.87Å; L292-V294 HydrophobicContact CG-CG2 3.84Å
295	T	98.9	Very high	98.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-94.5	116.5	156.6	-56.6	0	0	0	0	108	Y170 T193 P195 V199 P205 M298	Y170-T295 HydrophobicContact CD2-CG2 4.02Å; Y170-T295 HydrophobicContact CE2-CG2 3.52Å; T193-T295 WeakPolarHBondContact O-CB 3.43Å; T193-T295 PolarHBondContact O-OG1 3.25Å; T193-T295 PolarHBondContact OG1-N 3.36Å; P195-T295 VanDerWaalsContact CD-CG2 3.48Å; P195-T295 HydrophobicContact CG-CG2 4.11Å; V199-T295 HydrophobicContact CG1-CG2 4.39Å; P205-T295 VanDerWaalsContact CB-OG1 3.31Å; P205-T295 WeakPolarHBondContact CB-OG1 3.48Å; P205-T295 HydrophobicContact CG-CG2 3.93Å; P205-T295 WeakPolarHBondContact CG-OG1 3.42Å; T295-M298 HydrophobicContact CG2-CE 3.73Å
296	P	98.8	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-68.4	148.1	-179.9	29.7	-35.8	0	0	0	110.8	L149 Y151 P195 M298	L149-P296 HydrophobicContact CB-CG 4.41Å; L149-P296 HydrophobicContact CD2-CG 4.09Å; Y151-P296 HydrophobicContact CD1-CB 3.65Å; Y151-P296 HydrophobicContact CD1-CG 4.25Å; Y151-P296 HydrophobicContact CD2-CB 4.11Å; Y151-P296 HydrophobicContact CD2-CG 4.43Å; Y151-P296 HydrophobicContact CE1-CB 3.64Å; Y151-P296 HydrophobicContact CE1-CG 3.72Å; Y151-P296 HydrophobicContact CE2-CB 4.11Å; Y151-P296 HydrophobicContact CE2-CG 3.93Å; Y151-P296 HydrophobicContact CG-CB 3.9Å; P195-P296 WeakPolarHBondContact CG-O 3.5Å; P296-M298 HydrophobicContact CG-CE 4.1Å; P296-M298 WeakPolarHBondContact O-CE 3.49Å; P296-M298 VanDerWaalsContact O-CG 3.28Å; P296-M298 WeakPolarHBondContact O-CG 3.44Å
297	P	98.8	Very high	98.3	Very high	11 Å²	11	30.9 Å²	30.9	7%	0.071	16%	0.16	C	C	.	.			trans	-45.8	144	155.2	-27.5	35.3	0	0	0	111.2	H150 K153 I154 P195 T197	H150-P297 WeakPolarHBondContact CA-O 3.5Å; H150-P297 HydrophobicContact CB-CB 4.22Å; H150-P297 WeakPolarHBondContact CB-O 3.31Å; H150-P297 PolarHBondContact N-O 3.25Å; H150-P297 WeakPolarHBondContact O-CD 3.32Å; K153-P297 HydrophobicContact CB-CB 4.36Å; K153-P297 HydrophobicContact CB-CG 4.2Å; I154-P297 HydrophobicContact CD1-CG 4.42Å; I154-P297 HydrophobicContact CG1-CG 4.26Å; P195-P297 HydrophobicContact CB-CB 4.34Å; P195-P297 HydrophobicContact CB-CG 4.04Å; T197-P297 HydrophobicContact CG2-CB 3.83Å
298	M	98.8	Very high	98.3	Very high	5 Å²	5	32 Å²	32	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.2	-178.8	-47.3	-178	-159.3	0	0	110.5	I147 G148 L149 Y170 T197 P198 V199 K200 T295 P296	I147-M298 HydrophobicContact CD1-CB 3.58Å; I147-M298 HydrophobicContact CD1-CG 4.48Å; I147-M298 HydrophobicContact CD1-SD 4.22Å; I147-M298 HydrophobicContact CG1-CB 3.93Å; I147-M298 HydrophobicContact CG2-SD 4.46Å; G148-M298 VanDerWaalsContact O-CA 3.31Å; G148-M298 WeakPolarHBondContact O-CA 3.44Å; G148-M298 VanDerWaalsContact O-CB 3.28Å; G148-M298 WeakPolarHBondContact O-CB 3.3Å; L149-M298 HydrophobicContact CD2-CE 4.22Å; L149-M298 HydrophobicContact CD2-CG 3.87Å; L149-M298 HydrophobicContact CD2-SD 3.76Å; Y170-M298 HydrophobicContact CD1-CE 3.45Å; Y170-M298 VanDerWaalsContact CD1-CE 3.45Å; Y170-M298 HydrophobicContact CD1-SD 4.43Å; Y170-M298 HydrophobicContact CD2-CE 4.36Å; Y170-M298 HydrophobicContact CE1-CE 3.4Å; Y170-M298 VanDerWaalsContact CE1-CE 3.4Å; Y170-M298 HydrophobicContact CE1-SD 4.41Å; Y170-M298 HydrophobicContact CE2-CE 4.31Å; Y170-M298 HydrophobicContact CG-CE 3.93Å; T197-M298 WeakPolarHBondContact CB-O 3.28Å; T197-M298 PolarHBondContact OG1-N 2.66Å; T197-M298 PolarHBondContact OG1-O 3Å; P198-M298 WeakPolarHBondContact O-CB 3.44Å; V199-M298 HydrophobicContact CB-CE 3.84Å; V199-M298 HydrophobicContact CB-SD 3.81Å; V199-M298 HydrophobicContact CG1-CE 3.77Å; V199-M298 HydrophobicContact CG1-CG 4.2Å; V199-M298 HydrophobicContact CG1-SD 4.01Å; K200-M298 HydrophobicContact CG-SD 4Å; T295-M298 HydrophobicContact CG2-CE 3.73Å; P296-M298 HydrophobicContact CG-CE 4.1Å; P296-M298 WeakPolarHBondContact O-CE 3.49Å; P296-M298 VanDerWaalsContact O-CG 3.28Å; P296-M298 WeakPolarHBondContact O-CG 3.44Å
299	G	98.3	Very high	98.3	Very high	7 Å²	7	27.6 Å²	27.6	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	-178.1	-176.3	0	0	0	0	0	111.5	I147 G148 W315	I147-G299 WeakPolarHBondContact CG1-O 3.24Å; G148-G299 PolarHBondContact N-O 2.75Å; G148-G299 PolarHBondContact O-N 3.28Å; G299-W315 VanDerWaalsContact C-CH2 3.43Å
300	P	98.2	Very high	98.3	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.058	16%	0.157	C	C	.	.			trans	-61.3	149.3	172.1	-7.6	19.2	0	0	0	111	E302 L304 V313 G314 W315	P300-E302 PolarHBondContact O-N 2.84Å; P300-L304 HydrophobicContact CB-CB 4.49Å; P300-V313 VanDerWaalsContact CG-O 3.26Å; P300-V313 WeakPolarHBondContact CG-O 3.38Å; P300-G314 WeakPolarHBondContact CB-O 3.06Å; P300-G314 VanDerWaalsContact CG-C 3.41Å; P300-G314 WeakPolarHBondContact CG-O 3.43Å; P300-W315 HydrophobicContact CB-CD2 4.33Å; P300-W315 HydrophobicContact CB-CE3 4.11Å; P300-W315 HydrophobicContact CB-CZ3 4.34Å; P300-W315 HydrophobicContact CG-CD2 3.79Å; P300-W315 HydrophobicContact CG-CE3 4.04Å; P300-W315 HydrophobicContact CG-CG 4.18Å; P300-W315 HydrophobicContact CG-CH2 4.4Å; P300-W315 HydrophobicContact CG-CZ2 4.17Å; P300-W315 HydrophobicContact CG-CZ3 4.34Å
301	P	98.1	Very high	98.2	Very high	20 Å²	20	30 Å²	30	13%	0.13	17%	0.166	C	C	.	.			trans	-51	137.6	164.1	-26.2	34.6	0	0	0	111.6	L145 V303 L304	L145-P301 HydrophobicContact CB-CB 4.33Å; L145-P301 HydrophobicContact CB-CG 3.87Å; P301-V303 VanDerWaalsContact C-N 3.27Å; P301-V303 PolarHBondContact O-N 2.81Å; P301-V303 VanDerWaalsContact O-N 3.13Å; P301-L304 HydrophobicContact CG-CD1 4.35Å; P301-L304 WeakPolarHBondContact O-CB 3.34Å; P301-L304 PolarHBondContact O-N 2.78Å
302	E	96.8	Very high	98.1	Very high	150 Å²	150	39.5 Å²	39.5	70%	0.701	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-53.3	-40.5	-170	-63.8	164.6	153.5	0	0	113.5	P300 L304 I305	P300-E302 PolarHBondContact O-N 2.84Å; E302-L304 PolarHBondContact O-N 3.44Å; E302-I305 WeakPolarHBondContact O-CB 3.19Å; E302-I305 PolarHBondContact O-N 3.26Å
303	V	98	Very high	97.9	Very high	37 Å²	37	43.9 Å²	43.9	22%	0.224	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-63.1	-11.3	177.3	69.1	0	0	0	0	114.7	V118 T119 L121 L145 P301 S307	V118-V303 HydrophobicContact CG1-CG1 4.31Å; V118-V303 HydrophobicContact CG2-CG2 4.35Å; V118-V303 WeakPolarHBondContact O-CG2 3.46Å; T119-V303 VanDerWaalsContact C-CG2 3.47Å; L121-V303 HydrophobicContact CD1-CG2 3.82Å; L145-V303 HydrophobicContact CD1-CG1 3.82Å; P301-V303 VanDerWaalsContact C-N 3.27Å; P301-V303 PolarHBondContact O-N 2.81Å; P301-V303 VanDerWaalsContact O-N 3.13Å; V303-S307 WeakPolarHBondContact O-CB 3.49Å; V303-S307 PolarHBondContact O-OG 3.44Å
304	L	98.6	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-99.6	-14	173.7	-63	177.6	0	0	0	113	L121 I143 L145 P300 P301 E302 N306 S307 V309 S310 G314 V316 C337	L121-L304 HydrophobicContact CD1-CD2 4.34Å; L121-L304 HydrophobicContact CD2-CD2 4.46Å; I143-L304 HydrophobicContact CG2-CD1 4.27Å; I143-L304 HydrophobicContact CG2-CD2 4.25Å; L145-L304 HydrophobicContact CB-CD1 4.39Å; L145-L304 HydrophobicContact CD1-CD1 4.04Å; L145-L304 HydrophobicContact CD1-CD2 4.15Å; L145-L304 HydrophobicContact CD1-CG 4.02Å; P300-L304 HydrophobicContact CB-CB 4.49Å; P301-L304 HydrophobicContact CG-CD1 4.35Å; P301-L304 WeakPolarHBondContact O-CB 3.34Å; P301-L304 PolarHBondContact O-N 2.78Å; E302-L304 PolarHBondContact O-N 3.44Å; L304-N306 PolarHBondContact O-N 3.26Å; L304-S307 WeakPolarHBondContact O-CB 3.35Å; L304-S307 PolarHBondContact O-N 3.12Å; L304-V309 HydrophobicContact CD2-CG2 3.93Å; L304-S310 WeakPolarHBondContact O-CB 3.27Å; L304-S310 PolarHBondContact O-OG 3.33Å; L304-G314 VanDerWaalsContact CB-O 3.27Å; L304-G314 WeakPolarHBondContact CB-O 3.47Å; L304-G314 WeakPolarHBondContact O-CA 3.24Å; L304-V316 HydrophobicContact CD1-CG2 3.64Å; L304-V316 HydrophobicContact CD2-CG2 4.11Å; L304-V316 HydrophobicContact CG-CG2 4.49Å; L304-C337 HydrophobicContact CD1-CB 3.88Å
305	I	97.3	Very high	97.9	Very high	77 Å²	77	44.9 Å²	44.9	40%	0.395	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	131.3	171.6	-57.5	177.1	0	0	0	108	E302 S307	E302-I305 WeakPolarHBondContact O-CB 3.19Å; E302-I305 PolarHBondContact O-N 3.26Å; I305-S307 PolarHBondContact O-N 3.14Å
306	N	94.9	Very high	97.9	Very high	154 Å²	154	44.8 Å²	44.8	82%	0.824	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	14.3	-173.7	-54.7	-23.3	0	0	0	115.1	L304	L304-N306 PolarHBondContact O-N 3.26Å
307	S	97.9	Very high	97.9	Very high	12 Å²	12	46.5 Å²	46.5	8%	0.084	25%	0.25	C	C	.	.			trans	-77.6	141.2	179.5	-162.4	0	0	0	0	110.8	V303 L304 I305 V309 S310	V303-S307 WeakPolarHBondContact O-CB 3.49Å; V303-S307 PolarHBondContact O-OG 3.44Å; L304-S307 WeakPolarHBondContact O-CB 3.35Å; L304-S307 PolarHBondContact O-N 3.12Å; I305-S307 PolarHBondContact O-N 3.14Å; S307-V309 PolarHBondContact O-N 3.15Å; S307-S310 WeakPolarHBondContact O-CB 3.38Å; S307-S310 PolarHBondContact O-N 3.28Å
308	P	98.2	Very high	97.9	Very high	67 Å²	67	46.1 Å²	46.1	44%	0.435	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-9.3	-177.5	-23.6	33.9	0	0	0	115.3	P123 Y328	P123-P308 HydrophobicContact CG-CB 3.89Å; P308-Y328 WeakPolarHBondContact CB-OH 3.37Å; P308-Y328 WeakPolarHBondContact O-CE2 3.31Å; P308-Y328 PolarHBondContact O-OH 2.7Å
309	V	98.6	Very high	97.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.7	176.5	-57.9	0	0	0	0	114.3	L121 P123 I143 L304 S307 V316 D317 H325 Y328 V331	L121-V309 HydrophobicContact CD2-CG1 4.38Å; L121-V309 HydrophobicContact CD2-CG2 3.9Å; P123-V309 HydrophobicContact CB-CG1 3.88Å; P123-V309 HydrophobicContact CG-CG1 3.75Å; I143-V309 HydrophobicContact CD1-CB 4.18Å; I143-V309 HydrophobicContact CD1-CG1 4.41Å; I143-V309 HydrophobicContact CD1-CG2 3.76Å; L304-V309 HydrophobicContact CD2-CG2 3.93Å; S307-V309 PolarHBondContact O-N 3.15Å; V309-V316 WeakPolarHBondContact O-CA 3.24Å; V309-D317 PolarHBondContact O-N 3.33Å; V309-H325 VanDerWaalsContact C-NE2 3.28Å; V309-H325 WeakPolarHBondContact CA-NE2 3.34Å; V309-H325 PolarHBondContact O-CD2 3.04Å; V309-H325 PolarHBondContact O-NE2 3.17Å; V309-Y328 HydrophobicContact CG1-CD2 4.2Å; V309-Y328 HydrophobicContact CG1-CE2 4.01Å; V309-V331 HydrophobicContact CG1-CG1 4.42Å
310	S	98.5	Very high	97.9	Very high	24 Å²	24	49.6 Å²	49.6	17%	0.168	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-118.2	157.2	-170.9	-64.6	0	0	0	0	112.7	L304 S307 G314 W315	L304-S310 WeakPolarHBondContact O-CB 3.27Å; L304-S310 PolarHBondContact O-OG 3.33Å; S307-S310 WeakPolarHBondContact O-CB 3.38Å; S307-S310 PolarHBondContact O-N 3.28Å; S310-G314 PolarHBondContact OG-O 3.24Å; S310-W315 CarbonylContact C-O 3.43Å; S310-W315 VanDerWaalsContact CA-O 3.23Å; S310-W315 WeakPolarHBondContact CA-O 3.23Å
311	N	97.6	Very high	97.9	Very high	55 Å²	55	52.6 Å²	52.6	29%	0.294	28%	0.282	S	S	.	.			trans	-74.4	174.9	163.5	81.9	-18.8	0	0	0	111.3	V313 G314 W315 D317 T339	N311-V313 PolarHBondContact O-N 2.83Å; N311-V313 PolarHBondContact OD1-N 3.28Å; N311-G314 WeakPolarHBondContact O-CA 3.15Å; N311-G314 PolarHBondContact O-N 2.99Å; N311-G314 PolarHBondContact OD1-N 2.8Å; N311-W315 PolarHBondContact N-O 3.38Å; N311-W315 PolarHBondContact OD1-N 2.79Å; N311-W315 PolarHBondContact OD1-O 3.5Å; N311-D317 HydrophobicContact CB-CB 4.34Å; N311-T339 HydrophobicContact CB-CG2 4.1Å
312	E	96.8	Very high	97.9	Very high	200 Å²	200	52.5 Å²	52.5	94%	0.935	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-26.6	-179.5	-62.3	169.5	-175.5	0	0	114.7
313	V	95.8	Very high	98	Very high	93 Å²	93	45.3 Å²	45.3	56%	0.564	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.7	180	-173.9	0	0	0	0	112	P300 N311	P300-V313 VanDerWaalsContact CG-O 3.26Å; P300-V313 WeakPolarHBondContact CG-O 3.38Å; N311-V313 PolarHBondContact O-N 2.83Å; N311-V313 PolarHBondContact OD1-N 3.28Å
314	G	97.8	Very high	98.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	97.9	7.8	179.5	0	0	0	0	0	115.6	P300 L304 S310 N311	P300-G314 WeakPolarHBondContact CB-O 3.06Å; P300-G314 VanDerWaalsContact CG-C 3.41Å; P300-G314 WeakPolarHBondContact CG-O 3.43Å; L304-G314 VanDerWaalsContact CB-O 3.27Å; L304-G314 WeakPolarHBondContact CB-O 3.47Å; L304-G314 WeakPolarHBondContact O-CA 3.24Å; S310-G314 PolarHBondContact OG-O 3.24Å; N311-G314 WeakPolarHBondContact O-CA 3.15Å; N311-G314 PolarHBondContact O-N 2.99Å; N311-G314 PolarHBondContact OD1-N 2.8Å
315	W	98.8	Very high	98.1	Very high	19 Å²	19	45.7 Å²	45.7	7%	0.072	25%	0.247	C	C	.	.			trans	-85.7	141.8	175.3	-54.4	101.8	0	0	0	110.9	I147 P198 G299 P300 S310 N311 D317 D336 T339	I147-W315 HydrophobicContact CD1-CH2 3.83Å; I147-W315 HydrophobicContact CD1-CZ3 4.27Å; I147-W315 HydrophobicContact CG1-CH2 3.84Å; I147-W315 HydrophobicContact CG1-CZ3 4Å; P198-W315 HydrophobicContact CB-CH2 4.43Å; P198-W315 HydrophobicContact CB-CZ2 4.01Å; P198-W315 HydrophobicContact CG-CZ2 4.02Å; G299-W315 VanDerWaalsContact C-CH2 3.43Å; P300-W315 HydrophobicContact CB-CD2 4.33Å; P300-W315 HydrophobicContact CB-CE3 4.11Å; P300-W315 HydrophobicContact CB-CZ3 4.34Å; P300-W315 HydrophobicContact CG-CD2 3.79Å; P300-W315 HydrophobicContact CG-CE3 4.04Å; P300-W315 HydrophobicContact CG-CG 4.18Å; P300-W315 HydrophobicContact CG-CH2 4.4Å; P300-W315 HydrophobicContact CG-CZ2 4.17Å; P300-W315 HydrophobicContact CG-CZ3 4.34Å; S310-W315 CarbonylContact C-O 3.43Å; S310-W315 VanDerWaalsContact CA-O 3.23Å; S310-W315 WeakPolarHBondContact CA-O 3.23Å; N311-W315 PolarHBondContact N-O 3.38Å; N311-W315 PolarHBondContact OD1-N 2.79Å; N311-W315 PolarHBondContact OD1-O 3.5Å; W315-D317 PolarHBondContact O-N 3.03Å; W315-D336 WeakPolarHBondContact CZ3-O 3.48Å; W315-T339 HydrophobicContact CB-CG2 3.71Å
316	V	98.9	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-59.3	121	179.8	-174	0	0	0	0	110.2	I143 L304 V309 V318 C337 T339	I143-V316 HydrophobicContact CB-CG2 4.12Å; I143-V316 HydrophobicContact CD1-CG1 3.99Å; I143-V316 HydrophobicContact CD1-CG2 4.18Å; I143-V316 HydrophobicContact CG2-CG2 3.73Å; L304-V316 HydrophobicContact CD1-CG2 3.64Å; L304-V316 HydrophobicContact CD2-CG2 4.11Å; L304-V316 HydrophobicContact CG-CG2 4.49Å; V309-V316 WeakPolarHBondContact O-CA 3.24Å; V316-V318 HydrophobicContact CG1-CG1 4.21Å; V316-V318 PolarHBondContact O-N 3.16Å; V316-V318 VanDerWaalsContact O-N 3.13Å; V316-C337 HydrophobicContact CG2-CB 4.37Å; V316-C337 PolarHBondContact N-O 3.32Å; V316-T339 PolarHBondContact O-N 3.02Å; V316-T339 PolarHBondContact O-OG1 2.81Å
317	D	98.8	Very high	98.3	Very high	35 Å²	35	46.9 Å²	46.9	19%	0.187	24%	0.242	C	C	.	.			trans	-87.3	90.8	-170.8	-164.5	41.8	0	0	0	113.2	V309 N311 W315 H325 K326 T339	V309-D317 PolarHBondContact O-N 3.33Å; N311-D317 HydrophobicContact CB-CB 4.34Å; W315-D317 PolarHBondContact O-N 3.03Å; D317-H325 WeakPolarHBondContact O-CA 3.45Å; D317-K326 PolarHBondContact O-N 2.91Å; D317-K326 IonicContact OD1-NZ 3.75Å; D317-K326 PolarHBondContact OD1-NZ 3.32Å; D317-K326 VanDerWaalsContact OD2-CD 3.28Å; D317-K326 WeakPolarHBondContact OD2-CD 3.43Å; D317-K326 WeakPolarHBondContact OD2-CE 3.37Å; D317-K326 IonicContact OD2-NZ 2.66Å; D317-K326 PolarHBondContact OD2-NZ 3.36Å; D317-T339 HydrophobicContact CB-CG2 4.36Å; D317-T339 WeakPolarHBondContact OD1-CG2 3.44Å; D317-T339 PolarHBondContact OD1-OG1 2.96Å
318	V	98.9	Very high	98.4	Very high	3 Å²	3	47 Å²	47	2%	0.018	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-101.3	152.4	178.5	-66.9	0	0	0	0	112	V316 Q324 K326 T338 T339 L340	V316-V318 HydrophobicContact CG1-CG1 4.21Å; V316-V318 PolarHBondContact O-N 3.16Å; V316-V318 VanDerWaalsContact O-N 3.13Å; V318-Q324 CarbonylContact C-O 3.29Å; V318-Q324 WeakPolarHBondContact CA-O 3.07Å; V318-K326 VanDerWaalsContact O-CE 3.3Å; V318-K326 WeakPolarHBondContact O-CE 3.49Å; V318-T338 HydrophobicContact CG2-CG2 4.15Å; V318-T339 PolarHBondContact N-OG1 3.07Å; V318-T339 PolarHBondContact O-OG1 3.46Å; V318-L340 HydrophobicContact CG2-CD2 3.54Å; V318-L340 HydrophobicContact CG2-CG 3.8Å
319	D	98.8	Very high	98.4	Very high	54 Å²	54	48 Å²	48	29%	0.289	25%	0.247	S	C	.	.			trans	-61.6	138.6	159.5	168.6	-108.6	0	0	0	110.7	E321 T322 L323 Q324	D319-E321 VanDerWaalsContact C-N 3.34Å; D319-E321 PolarHBondContact O-N 3.11Å; D319-E321 PolarHBondContact OD1-N 2.82Å; D319-T322 VanDerWaalsContact OD1-CB 3.28Å; D319-T322 WeakPolarHBondContact OD1-CB 3.4Å; D319-T322 VanDerWaalsContact OD1-CG2 3.31Å; D319-T322 WeakPolarHBondContact OD1-CG2 3.34Å; D319-T322 PolarHBondContact OD1-N 3.02Å; D319-T322 PolarHBondContact OD1-OG1 3Å; D319-L323 WeakPolarHBondContact O-CA 3.26Å; D319-L323 PolarHBondContact O-N 2.71Å; D319-L323 VanDerWaalsContact O-N 3.14Å; D319-Q324 PolarHBondContact N-O 2.6Å
320	A	98.5	Very high	98.4	Very high	32 Å²	32	49.2 Å²	49.2	26%	0.264	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.9	-170.6	0	0	0	0	0	113.4	Y395	A320-Y395 HydrophobicContact CB-CE2 4.34Å; A320-Y395 PolarHBondContact O-OH 2.83Å
321	E	98.7	Very high	98.4	Very high	72 Å²	72	48.1 Å²	48.1	34%	0.336	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-36.9	-175.6	-62.3	-172.9	137.1	0	0	112.5	D319 V355 K372 Y373	D319-E321 VanDerWaalsContact C-N 3.34Å; D319-E321 PolarHBondContact O-N 3.11Å; D319-E321 PolarHBondContact OD1-N 2.82Å; E321-V355 WeakPolarHBondContact O-CG1 3.12Å; E321-K372 HydrophobicContact CB-CB 3.99Å; E321-K372 HydrophobicContact CB-CG 4.02Å; E321-K372 HydrophobicContact CG-CB 4.37Å; E321-K372 HydrophobicContact CG-CG 4.38Å; E321-K372 CarbonylContact O-C 3.31Å; E321-K372 VanDerWaalsContact OE1-CD 3.3Å; E321-K372 WeakPolarHBondContact OE1-CD 3.38Å; E321-K372 WeakPolarHBondContact OE1-CE 3.36Å; E321-K372 IonicContact OE1-NZ 3.37Å; E321-K372 PolarHBondContact OE1-NZ 3.35Å; E321-K372 WeakPolarHBondContact OE2-CD 3.4Å; E321-K372 WeakPolarHBondContact OE2-CE 3.27Å; E321-K372 IonicContact OE2-NZ 2.67Å; E321-K372 PolarHBondContact OE2-NZ 2.99Å; E321-Y373 WeakPolarHBondContact O-CB 3.32Å; E321-Y373 PolarHBondContact O-N 3.47Å
322	T	98.8	Very high	98.5	Very high	17 Å²	17	45.5 Å²	45.5	10%	0.104	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-21	-169.9	65.2	0	0	0	0	113.8	D319 Q324 T359 P369	D319-T322 VanDerWaalsContact OD1-CB 3.28Å; D319-T322 WeakPolarHBondContact OD1-CB 3.4Å; D319-T322 VanDerWaalsContact OD1-CG2 3.31Å; D319-T322 WeakPolarHBondContact OD1-CG2 3.34Å; D319-T322 PolarHBondContact OD1-N 3.02Å; D319-T322 PolarHBondContact OD1-OG1 3Å; T322-Q324 PolarHBondContact O-N 2.86Å; T322-Q324 PolarHBondContact OG1-N 3.12Å; T322-T359 WeakPolarHBondContact O-CB 3.43Å; T322-T359 WeakPolarHBondContact O-CG2 3.36Å; T322-T359 PolarHBondContact O-OG1 2.96Å; T322-P369 HydrophobicContact CG2-CB 3.77Å; T322-P369 HydrophobicContact CG2-CG 4.32Å
323	L	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.			trans	65.4	12.6	-173.8	-70	72.8	0	0	0	114.8	D319 F332 G333 I334 L340 Q352 V355 L356 Y373	D319-L323 WeakPolarHBondContact O-CA 3.26Å; D319-L323 PolarHBondContact O-N 2.71Å; D319-L323 VanDerWaalsContact O-N 3.14Å; L323-F332 WeakPolarHBondContact O-CA 3.44Å; L323-G333 PolarHBondContact O-N 3.04Å; L323-I334 HydrophobicContact CD2-CG1 4.49Å; L323-L340 HydrophobicContact CD1-CD1 4.42Å; L323-L340 HydrophobicContact CD1-CD2 4.35Å; L323-L340 HydrophobicContact CD2-CD1 3.9Å; L323-L340 HydrophobicContact CG-CD1 3.91Å; L323-L340 HydrophobicContact CG-CD2 4.17Å; L323-Q352 HydrophobicContact CD2-CB 3.54Å; L323-Q352 HydrophobicContact CD2-CG 3.79Å; L323-V355 HydrophobicContact CD1-CG1 4.42Å; L323-L356 HydrophobicContact CB-CB 4.35Å; L323-L356 HydrophobicContact CB-CD1 4.02Å; L323-L356 HydrophobicContact CD2-CB 4.34Å; L323-Y373 HydrophobicContact CD1-CD1 3.9Å; L323-Y373 HydrophobicContact CD1-CG 4.21Å
324	Q	98.9	Very high	98.7	Very high	33 Å²	33	31.6 Å²	31.6	15%	0.154	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-77.2	142.6	167.8	-168.4	169.9	6.6	0	0	109.8	V318 D319 T322 P329 F332 T359	V318-Q324 CarbonylContact C-O 3.29Å; V318-Q324 WeakPolarHBondContact CA-O 3.07Å; D319-Q324 PolarHBondContact N-O 2.6Å; T322-Q324 PolarHBondContact O-N 2.86Å; T322-Q324 PolarHBondContact OG1-N 3.12Å; Q324-P329 PolarHBondContact NE2-O 2.74Å; Q324-F332 HydrophobicContact CB-CD1 4.04Å; Q324-F332 HydrophobicContact CB-CE1 3.94Å; Q324-F332 HydrophobicContact CG-CD1 4.17Å; Q324-F332 HydrophobicContact CG-CE1 3.73Å; Q324-F332 HydrophobicContact CG-CZ 4.45Å; Q324-T359 HydrophobicContact CB-CG2 4.15Å
325	H	98.9	Very high	98.8	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.051	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-69.6	136.9	177.1	-176.5	-60.4	0	0	0	110.6	V309 D317 K327 Y328 V331	V309-H325 VanDerWaalsContact C-NE2 3.28Å; V309-H325 WeakPolarHBondContact CA-NE2 3.34Å; V309-H325 PolarHBondContact O-CD2 3.04Å; V309-H325 PolarHBondContact O-NE2 3.17Å; D317-H325 WeakPolarHBondContact O-CA 3.45Å; H325-K327 PolarHBondContact ND1-N 3.45Å; H325-Y328 AromaticContact CE1-CD2 3.39Å; H325-Y328 WeakPolarHBondContact CE1-CD2 3.48Å; H325-Y328 AromaticContact CE1-CE2 3.54Å; H325-Y328 AromaticContact CG-CD2 3.9Å; H325-Y328 AromaticContact ND1-CD2 3.48Å; H325-Y328 WeakPolarHBondContact ND1-CD2 3.17Å; H325-Y328 PolarHBondContact ND1-N 2.73Å; H325-Y328 AromaticContact NE2-CD2 3.69Å; H325-Y328 AromaticContact NE2-CE2 3.77Å; H325-V331 HydrophobicContact CB-CB 3.78Å; H325-V331 HydrophobicContact CB-CG1 3.97Å; H325-V331 WeakPolarHBondContact CB-O 3.48Å; H325-V331 PolarHBondContact N-O 3.16Å
326	K	98.6	Very high	98.8	Very high	130 Å²	130	31.8 Å²	31.8	57%	0.565	16%	0.164	S	C	*	.	S	Bend	trans	-64.1	-45.8	-173.1	-57.8	-168.3	-160.8	129	0	114.3	D317 V318	D317-K326 PolarHBondContact O-N 2.91Å; D317-K326 IonicContact OD1-NZ 3.75Å; D317-K326 PolarHBondContact OD1-NZ 3.32Å; D317-K326 VanDerWaalsContact OD2-CD 3.28Å; D317-K326 WeakPolarHBondContact OD2-CD 3.43Å; D317-K326 WeakPolarHBondContact OD2-CE 3.37Å; D317-K326 IonicContact OD2-NZ 2.66Å; D317-K326 PolarHBondContact OD2-NZ 3.36Å; V318-K326 VanDerWaalsContact O-CE 3.3Å; V318-K326 WeakPolarHBondContact O-CE 3.49Å
327	K	98.6	Very high	98.8	Very high	126 Å²	126	31.8 Å²	31.8	55%	0.548	16%	0.164	S	C	.	.	S	Bend	trans	-76.6	-52.8	175.4	-174.4	-178.4	160.2	-152.5	0	114.3	D124 H325 P329	D124-K327 IonicContact OD1-NZ 2.74Å; D124-K327 PolarHBondContact OD1-NZ 3.4Å; D124-K327 IonicContact OD2-NZ 2.83Å; H325-K327 PolarHBondContact ND1-N 3.45Å; K327-P329 WeakPolarHBondContact O-CD 3.44Å
328	Y	98.8	Very high	98.8	Very high	15 Å²	15	30.2 Å²	30.2	6%	0.059	16%	0.155	C	C	.	.			trans	-101.2	109.8	-172.3	-41.1	-82.9	0	0	0	111.8	P123 P308 V309 H325 N330 V331	P123-Y328 HydrophobicContact CB-CD1 3.79Å; P123-Y328 HydrophobicContact CB-CD2 3.97Å; P123-Y328 HydrophobicContact CB-CE1 3.75Å; P123-Y328 HydrophobicContact CB-CE2 3.99Å; P123-Y328 HydrophobicContact CB-CG 3.91Å; P123-Y328 HydrophobicContact CG-CD1 4.12Å; P123-Y328 HydrophobicContact CG-CD2 4.18Å; P123-Y328 HydrophobicContact CG-CE1 3.53Å; P123-Y328 HydrophobicContact CG-CE2 3.66Å; P123-Y328 HydrophobicContact CG-CG 4.41Å; P308-Y328 WeakPolarHBondContact CB-OH 3.37Å; P308-Y328 WeakPolarHBondContact O-CE2 3.31Å; P308-Y328 PolarHBondContact O-OH 2.7Å; V309-Y328 HydrophobicContact CG1-CD2 4.2Å; V309-Y328 HydrophobicContact CG1-CE2 4.01Å; H325-Y328 AromaticContact CE1-CD2 3.39Å; H325-Y328 WeakPolarHBondContact CE1-CD2 3.48Å; H325-Y328 AromaticContact CE1-CE2 3.54Å; H325-Y328 AromaticContact CG-CD2 3.9Å; H325-Y328 AromaticContact ND1-CD2 3.48Å; H325-Y328 WeakPolarHBondContact ND1-CD2 3.17Å; H325-Y328 PolarHBondContact ND1-N 2.73Å; H325-Y328 AromaticContact NE2-CD2 3.69Å; H325-Y328 AromaticContact NE2-CE2 3.77Å; Y328-N330 PolarHBondContact O-N 2.83Å; Y328-V331 HydrophobicContact CD2-CG2 4.41Å; Y328-V331 HydrophobicContact CG-CG2 4.28Å; Y328-V331 PolarHBondContact O-N 3.13Å; Y328-V331 VanDerWaalsContact O-N 3.08Å
329	P	98.4	Very high	98.8	Very high	87 Å²	87	31.7 Å²	31.7	57%	0.565	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.4	-170	27.1	-35.7	0	0	0	114.6	Q324 K327	Q324-P329 PolarHBondContact NE2-O 2.74Å; K327-P329 WeakPolarHBondContact O-CD 3.44Å
330	N	98.8	Very high	98.8	Very high	27 Å²	27	29.5 Å²	29.5	14%	0.144	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	2	176.6	68.7	-30	0	0	0	114.2	N126 K139 Y140 L141 Y328 F332	N126-N330 PolarHBondContact OD1-ND2 2.86Å; K139-N330 WeakPolarHBondContact O-CB 3.44Å; K139-N330 PolarHBondContact O-ND2 3.45Å; Y140-N330 WeakPolarHBondContact CA-O 3.27Å; Y140-N330 HydrophobicContact CD1-CB 3.8Å; Y140-N330 HydrophobicContact CE1-CB 4.26Å; L141-N330 PolarHBondContact N-O 3.17Å; Y328-N330 PolarHBondContact O-N 2.83Å; N330-F332 WeakPolarHBondContact O-CE2 3.25Å
331	V	98.9	Very high	98.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.6	173.9	-179.3	0	0	0	0	109.3	P123 Y138 L141 I143 V309 H325 Y328	P123-V331 HydrophobicContact CB-CG2 4.45Å; Y138-V331 HydrophobicContact CE2-CG2 4.44Å; L141-V331 HydrophobicContact CB-CG1 4.44Å; L141-V331 HydrophobicContact CB-CG2 4.22Å; L141-V331 HydrophobicContact CD2-CG1 4.19Å; L141-V331 HydrophobicContact CD2-CG2 4.39Å; L141-V331 CarbonylContact O-C 3.16Å; I143-V331 HydrophobicContact CD1-CG1 3.87Å; I143-V331 HydrophobicContact CG1-CG1 4.32Å; V309-V331 HydrophobicContact CG1-CG1 4.42Å; H325-V331 HydrophobicContact CB-CB 3.78Å; H325-V331 HydrophobicContact CB-CG1 3.97Å; H325-V331 WeakPolarHBondContact CB-O 3.48Å; H325-V331 PolarHBondContact N-O 3.16Å; Y328-V331 HydrophobicContact CD2-CG2 4.41Å; Y328-V331 HydrophobicContact CG-CG2 4.28Å; Y328-V331 PolarHBondContact O-N 3.13Å; Y328-V331 VanDerWaalsContact O-N 3.08Å
332	F	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152	-179	-55.3	-88.6	0	0	0	110.3	Y140 L141 I143 L323 Q324 N330 L356 T359 I360 V363	Y140-F332 HydrophobicContact CD1-CE2 4.07Å; L141-F332 PolarHBondContact O-N 2.96Å; I143-F332 PolarHBondContact N-O 3.13Å; L323-F332 WeakPolarHBondContact O-CA 3.44Å; Q324-F332 HydrophobicContact CB-CD1 4.04Å; Q324-F332 HydrophobicContact CB-CE1 3.94Å; Q324-F332 HydrophobicContact CG-CD1 4.17Å; Q324-F332 HydrophobicContact CG-CE1 3.73Å; Q324-F332 HydrophobicContact CG-CZ 4.45Å; N330-F332 WeakPolarHBondContact O-CE2 3.25Å; F332-L356 HydrophobicContact CB-CD1 3.69Å; F332-L356 HydrophobicContact CB-CD2 4.31Å; F332-L356 HydrophobicContact CD1-CD1 3.43Å; F332-L356 VanDerWaalsContact CD1-CD1 3.43Å; F332-L356 HydrophobicContact CE1-CD1 4.35Å; F332-L356 HydrophobicContact CG-CD1 3.78Å; F332-T359 HydrophobicContact CD1-CG2 4.32Å; F332-T359 HydrophobicContact CE1-CG2 3.89Å; F332-I360 HydrophobicContact CD1-CG1 3.87Å; F332-I360 HydrophobicContact CD2-CD1 4.13Å; F332-I360 HydrophobicContact CD2-CG1 3.9Å; F332-I360 HydrophobicContact CE1-CG1 3.78Å; F332-I360 HydrophobicContact CE2-CD1 4.46Å; F332-I360 HydrophobicContact CE2-CG1 3.82Å; F332-I360 HydrophobicContact CG-CD1 4.17Å; F332-I360 HydrophobicContact CG-CG1 3.94Å; F332-I360 HydrophobicContact CZ-CG1 3.76Å; F332-V363 HydrophobicContact CE1-CG2 4.27Å; F332-V363 HydrophobicContact CZ-CB 4.17Å; F332-V363 HydrophobicContact CZ-CG1 4.12Å; F332-V363 HydrophobicContact CZ-CG2 4.16Å
333	G	98.9	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.2	178	0	0	0	0	0	112.3	I143 L323 T338	I143-G333 WeakPolarHBondContact O-CA 3.16Å; L323-G333 PolarHBondContact O-N 3.04Å; G333-T338 VanDerWaalsContact C-CG2 3.41Å
334	I	98.9	Very high	98.6	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.171	C	C	.	.			trans	-144.4	139.2	175.8	-172.3	168.8	0	0	0	112.8	M58 I142 I143 A144 L323 T338 I349 Q352 L356	M58-I334 HydrophobicContact CG-CD1 3.8Å; M58-I334 HydrophobicContact CG-CG2 4.15Å; M58-I334 HydrophobicContact SD-CD1 3.89Å; I142-I334 HydrophobicContact CG2-CG2 4.12Å; I143-I334 PolarHBondContact O-N 2.91Å; A144-I334 HydrophobicContact CB-CG2 3.64Å; L323-I334 HydrophobicContact CD2-CG1 4.49Å; I334-T338 VanDerWaalsContact N-CG2 3.35Å; I334-I349 HydrophobicContact CD1-CG2 4.28Å; I334-I349 HydrophobicContact CG1-CG2 4.42Å; I334-Q352 HydrophobicContact CD1-CB 4.09Å; I334-Q352 HydrophobicContact CG1-CB 3.99Å; I334-L356 HydrophobicContact CB-CD2 4.03Å; I334-L356 HydrophobicContact CD1-CD2 4.38Å
335	G	98.8	Very high	98.6	Very high	3 Å²	3	31 Å²	31	3%	0.031	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	74.3	-151.9	174.6	0	0	0	0	0	114.5	C337 T338 I349	G335-C337 PolarHBondContact O-N 2.7Å; G335-T338 PolarHBondContact O-N 2.91Å; G335-T338 VanDerWaalsContact O-N 3.11Å; G335-T338 PolarHBondContact O-OG1 2.75Å; G335-I349 VanDerWaalsContact CA-CG1 3.46Å
336	D	98.8	Very high	98.6	Very high	21 Å²	21	31.7 Å²	31.7	11%	0.112	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20.3	-160.1	-50.9	-7.6	0	0	0	114.4	G146 I147 K200 W315 T338 K344	G146-D336 CarbonylContact O-C 3.51Å; G146-D336 VanDerWaalsContact O-C 3.31Å; I147-D336 HydrophobicContact CB-CB 3.95Å; I147-D336 HydrophobicContact CG2-CB 4.37Å; K200-D336 WeakPolarHBondContact CB-OD2 3.24Å; W315-D336 WeakPolarHBondContact CZ3-O 3.48Å; D336-T338 VanDerWaalsContact C-N 3.32Å; D336-T338 PolarHBondContact O-N 2.88Å; D336-K344 HydrophobicContact CB-CB 4.15Å; D336-K344 HydrophobicContact CB-CD 4.28Å; D336-K344 HydrophobicContact CB-CG 4.43Å; D336-K344 WeakPolarHBondContact O-CD 3.46Å; D336-K344 WeakPolarHBondContact O-CE 3.43Å; D336-K344 PolarHBondContact O-NZ 3.06Å
337	C	98.8	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-79.6	-6.1	179.4	57.5	0	0	0	0	114.9	L145 G146 L304 V316 G335	L145-C337 HydrophobicContact CB-CB 4.49Å; G146-C337 WeakPolarHBondContact O-CA 3.4Å; G146-C337 WeakPolarHBondContact O-CB 3.34Å; G146-C337 PolarHBondContact O-N 3.33Å; L304-C337 HydrophobicContact CD1-CB 3.88Å; V316-C337 HydrophobicContact CG2-CB 4.37Å; V316-C337 PolarHBondContact N-O 3.32Å; G335-C337 PolarHBondContact O-N 2.7Å
338	T	98.9	Very high	98.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-93	163.2	-171.8	60	0	0	0	0	114.5	V318 G333 I334 G335 D336 L340 K344	V318-T338 HydrophobicContact CG2-CG2 4.15Å; G333-T338 VanDerWaalsContact C-CG2 3.41Å; I334-T338 VanDerWaalsContact N-CG2 3.35Å; G335-T338 PolarHBondContact O-N 2.91Å; G335-T338 VanDerWaalsContact O-N 3.11Å; G335-T338 PolarHBondContact O-OG1 2.75Å; D336-T338 VanDerWaalsContact C-N 3.32Å; D336-T338 PolarHBondContact O-N 2.88Å; T338-L340 HydrophobicContact CG2-CD1 4.42Å; T338-L340 PolarHBondContact O-N 2.85Å; T338-L340 WeakPolarHBondContact OG1-CD1 3.42Å; T338-L340 VanDerWaalsContact OG1-CG 3.29Å; T338-L340 WeakPolarHBondContact OG1-CG 3.42Å; T338-K344 PolarHBondContact O-NZ 2.88Å
339	T	98.5	Very high	98.6	Very high	33 Å²	33	20.5 Å²	20.5	20%	0.202	13%	0.131	C	C	.	.			trans	-73	-2.4	168.9	48.8	0	0	0	0	115.1	N311 W315 V316 D317 V318 P341	N311-T339 HydrophobicContact CB-CG2 4.1Å; W315-T339 HydrophobicContact CB-CG2 3.71Å; V316-T339 PolarHBondContact O-N 3.02Å; V316-T339 PolarHBondContact O-OG1 2.81Å; D317-T339 HydrophobicContact CB-CG2 4.36Å; D317-T339 WeakPolarHBondContact OD1-CG2 3.44Å; D317-T339 PolarHBondContact OD1-OG1 2.96Å; V318-T339 PolarHBondContact N-OG1 3.07Å; V318-T339 PolarHBondContact O-OG1 3.46Å; T339-P341 WeakPolarHBondContact O-CD 3.32Å
340	L	98.6	Very high	98.6	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.042	10%	0.104	C	C	.	.			trans	-54.2	119	-175	-60.9	174.3	0	0	0	111.8	V318 L323 T338 T342 Q352 Y373	V318-L340 HydrophobicContact CG2-CD2 3.54Å; V318-L340 HydrophobicContact CG2-CG 3.8Å; L323-L340 HydrophobicContact CD1-CD1 4.42Å; L323-L340 HydrophobicContact CD1-CD2 4.35Å; L323-L340 HydrophobicContact CD2-CD1 3.9Å; L323-L340 HydrophobicContact CG-CD1 3.91Å; L323-L340 HydrophobicContact CG-CD2 4.17Å; T338-L340 HydrophobicContact CG2-CD1 4.42Å; T338-L340 PolarHBondContact O-N 2.85Å; T338-L340 WeakPolarHBondContact OG1-CD1 3.42Å; T338-L340 VanDerWaalsContact OG1-CG 3.29Å; T338-L340 WeakPolarHBondContact OG1-CG 3.42Å; L340-T342 PolarHBondContact O-N 3.44Å; L340-Q352 HydrophobicContact CD1-CG 4.15Å; L340-Y373 HydrophobicContact CD1-CE1 4.3Å
341	P	97.3	Very high	98.6	Very high	91 Å²	91	15.6 Å²	15.6	59%	0.591	10%	0.101	S	C	*	.	S	Bend	trans	-80.8	55.3	-169	32.4	-36.8	0	0	0	113.4	T339 Y395	T339-P341 WeakPolarHBondContact O-CD 3.32Å; P341-Y395 HydrophobicContact CG-CD1 3.89Å; P341-Y395 HydrophobicContact CG-CE1 3.65Å; P341-Y395 WeakPolarHBondContact O-CD1 3.16Å
342	T	98.1	Very high	98.6	Very high	23 Å²	23	15.8 Å²	15.8	14%	0.141	10%	0.102	C	C	.	.	S	Bend	trans	-140.3	168.5	178.3	-177.6	0	0	0	0	110.9	L340 K344 Y373 G375 T377 Y395	L340-T342 PolarHBondContact O-N 3.44Å; T342-K344 PolarHBondContact O-N 2.77Å; T342-K344 VanDerWaalsContact O-N 3.11Å; T342-Y373 HydrophobicContact CG2-CE1 4.18Å; T342-G375 WeakPolarHBondContact CB-O 3.39Å; T342-G375 PolarHBondContact OG1-O 3.13Å; T342-T377 WeakPolarHBondContact OG1-CG2 3.33Å; T342-Y395 HydrophobicContact CG2-CD1 4.5Å; T342-Y395 HydrophobicContact CG2-CE1 3.87Å
343	S	97.2	Very high	98.6	Very high	35 Å²	35	15.8 Å²	15.8	25%	0.245	10%	0.102	C	C	.	.			trans	-63.2	116.7	178.9	-74.6	0	0	0	0	111.3	T345 T377 F393	S343-T345 WeakPolarHBondContact O-CG2 3.26Å; S343-T345 PolarHBondContact O-N 2.98Å; S343-T377 PolarHBondContact O-OG1 3.41Å; S343-F393 WeakPolarHBondContact OG-CZ 3.48Å
344	K	98.6	Very high	98.6	Very high	29 Å²	29	16.3 Å²	16.3	13%	0.126	11%	0.108	C	C	.	.			trans	-60.5	99	176.1	-64.8	174.6	-174.7	-72.8	0	110.1	I147 K200 C201 D336 T338 T342	I147-K344 HydrophobicContact CD1-CD 4.29Å; K200-K344 WeakPolarHBondContact CA-O 3.3Å; C201-K344 PolarHBondContact N-O 2.89Å; D336-K344 HydrophobicContact CB-CB 4.15Å; D336-K344 HydrophobicContact CB-CD 4.28Å; D336-K344 HydrophobicContact CB-CG 4.43Å; D336-K344 WeakPolarHBondContact O-CD 3.46Å; D336-K344 WeakPolarHBondContact O-CE 3.43Å; D336-K344 PolarHBondContact O-NZ 3.06Å; T338-K344 PolarHBondContact O-NZ 2.88Å; T342-K344 PolarHBondContact O-N 2.77Å; T342-K344 VanDerWaalsContact O-N 3.11Å
345	T	98.8	Very high	98.6	Very high	9 Å²	9	16.5 Å²	16.5	6%	0.055	11%	0.109	C	C	.	.			trans	-145	157.9	-176.1	73.7	0	0	0	0	112.7	S343 A347 A348 I349 T377	S343-T345 WeakPolarHBondContact O-CG2 3.26Å; S343-T345 PolarHBondContact O-N 2.98Å; T345-A347 PolarHBondContact O-N 3.04Å; T345-A347 PolarHBondContact OG1-N 3.16Å; T345-A348 WeakPolarHBondContact O-CB 3.14Å; T345-A348 PolarHBondContact O-N 2.87Å; T345-A348 PolarHBondContact OG1-N 2.83Å; T345-I349 WeakPolarHBondContact O-CG1 3.36Å; T345-I349 PolarHBondContact O-N 3.19Å; T345-T377 PolarHBondContact OG1-OG1 3.05Å
346	A	98.3	Very high	98.6	Very high	24 Å²	24	16.3 Å²	16.3	20%	0.198	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-23.2	171.6	0	0	0	0	0	113.8	T53 P84 A350	T53-A346 HydrophobicContact CG2-CB 4.46Å; P84-A346 HydrophobicContact CG-CB 4.16Å; A346-A350 PolarHBondContact O-N 3.43Å; A346-A350 VanDerWaalsContact O-N 3.12Å
347	A	98.6	Very high	98.6	Very high	25 Å²	25	16.2 Å²	16.2	21%	0.207	11%	0.106	C	C	.	.	H	α-helix	trans	-75.9	-38.7	174.4	0	0	0	0	0	111.8	T345 A350 A351 Y376	T345-A347 PolarHBondContact O-N 3.04Å; T345-A347 PolarHBondContact OG1-N 3.16Å; A347-A350 WeakPolarHBondContact O-CB 3.42Å; A347-A350 PolarHBondContact O-N 3.11Å; A347-A351 PolarHBondContact O-N 2.97Å; A347-Y376 HydrophobicContact CB-CE1 4.39Å
348	A	98.9	Very high	98.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-50.9	168.9	0	0	0	0	0	110.5	T345 A350 A351 Q352 Y373 Y376	T345-A348 WeakPolarHBondContact O-CB 3.14Å; T345-A348 PolarHBondContact O-N 2.87Å; T345-A348 PolarHBondContact OG1-N 2.83Å; A348-A350 PolarHBondContact O-N 3Å; A348-A350 VanDerWaalsContact O-N 3.15Å; A348-A351 PolarHBondContact O-N 2.96Å; A348-Q352 VanDerWaalsContact O-CB 3.26Å; A348-Q352 WeakPolarHBondContact O-CB 3.35Å; A348-Q352 WeakPolarHBondContact O-CG 3.48Å; A348-Q352 PolarHBondContact O-N 2.7Å; A348-Y373 WeakPolarHBondContact CB-OH 3.21Å; A348-Y376 WeakPolarHBondContact CA-O 3.35Å
349	I	98.9	Very high	98.5	Very high	10 Å²	10	21.7 Å²	21.7	5%	0.051	13%	0.13	C	C	.	.	H	α-helix	trans	-52.5	-39.2	176.1	-68.1	171.3	0	0	0	112.1	T53 I334 G335 T345 S353	T53-I349 HydrophobicContact CG2-CB 4.44Å; T53-I349 HydrophobicContact CG2-CD1 4.43Å; T53-I349 HydrophobicContact CG2-CG2 3.84Å; I334-I349 HydrophobicContact CD1-CG2 4.28Å; I334-I349 HydrophobicContact CG1-CG2 4.42Å; G335-I349 VanDerWaalsContact CA-CG1 3.46Å; T345-I349 WeakPolarHBondContact O-CG1 3.36Å; T345-I349 PolarHBondContact O-N 3.19Å; I349-S353 VanDerWaalsContact O-CB 3.3Å; I349-S353 WeakPolarHBondContact O-CB 3.4Å; I349-S353 PolarHBondContact O-N 2.73Å
350	A	98.8	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-50.2	176.9	0	0	0	0	0	112.7	A346 A347 A348 S353 G354 L430 W435 G436	A346-A350 PolarHBondContact O-N 3.43Å; A346-A350 VanDerWaalsContact O-N 3.12Å; A347-A350 WeakPolarHBondContact O-CB 3.42Å; A347-A350 PolarHBondContact O-N 3.11Å; A348-A350 PolarHBondContact O-N 3Å; A348-A350 VanDerWaalsContact O-N 3.15Å; A350-S353 PolarHBondContact O-N 3.18Å; A350-S353 PolarHBondContact O-OG 3.21Å; A350-G354 PolarHBondContact O-N 3.11Å; A350-L430 HydrophobicContact CB-CD1 3.8Å; A350-L430 HydrophobicContact CB-CD2 4.25Å; A350-W435 VanDerWaalsContact CB-CD1 3.44Å; A350-G436 CarbonylContact O-C 3.52Å; A350-G436 WeakPolarHBondContact O-CA 3.43Å
351	A	98.8	Very high	98.5	Very high	11 Å²	11	21.1 Å²	21.1	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-46.3	178.5	0	0	0	0	0	112.3	A347 A348 S353 G354 V355 Y373 Y376	A347-A351 PolarHBondContact O-N 2.97Å; A348-A351 PolarHBondContact O-N 2.96Å; A351-S353 VanDerWaalsContact C-N 3.29Å; A351-S353 PolarHBondContact O-N 2.84Å; A351-G354 CarbonylContact O-C 3.5Å; A351-G354 WeakPolarHBondContact O-CA 3.5Å; A351-G354 PolarHBondContact O-N 3.36Å; A351-V355 PolarHBondContact O-N 2.75Å; A351-V355 VanDerWaalsContact O-N 3.17Å; A351-Y373 HydrophobicContact CB-CE2 4.02Å; A351-Y376 HydrophobicContact CB-CD1 3.59Å; A351-Y376 HydrophobicContact CB-CE1 4.36Å; A351-Y376 HydrophobicContact CB-CG 4.47Å
352	Q	98.9	Very high	98.6	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.023	11%	0.109	C	C	.	.	H	α-helix	trans	-50.6	-47	172.2	-72.7	171.8	9.9	0	0	111.6	L323 I334 L340 A348 G354 V355 L356 Y373	L323-Q352 HydrophobicContact CD2-CB 3.54Å; L323-Q352 HydrophobicContact CD2-CG 3.79Å; I334-Q352 HydrophobicContact CD1-CB 4.09Å; I334-Q352 HydrophobicContact CG1-CB 3.99Å; L340-Q352 HydrophobicContact CD1-CG 4.15Å; A348-Q352 VanDerWaalsContact O-CB 3.26Å; A348-Q352 WeakPolarHBondContact O-CB 3.35Å; A348-Q352 WeakPolarHBondContact O-CG 3.48Å; A348-Q352 PolarHBondContact O-N 2.7Å; Q352-G354 PolarHBondContact O-N 2.76Å; Q352-V355 PolarHBondContact O-N 3.26Å; Q352-L356 WeakPolarHBondContact O-CB 3.46Å; Q352-L356 PolarHBondContact O-N 3.07Å; Q352-Y373 HydrophobicContact CG-CD1 4.03Å; Q352-Y373 HydrophobicContact CG-CD2 4.47Å; Q352-Y373 HydrophobicContact CG-CE1 3.48Å; Q352-Y373 VanDerWaalsContact CG-CE1 3.48Å; Q352-Y373 HydrophobicContact CG-CE2 3.98Å; Q352-Y373 HydrophobicContact CG-CG 4.5Å; Q352-Y373 VanDerWaalsContact CG-CZ 3.45Å; Q352-Y373 PolarHBondContact NE2-OH 2.74Å
353	S	98.9	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-33.4	178	82.4	0	0	0	0	112.7	T57 R61 I349 A350 A351 V355 D357	T57-S353 WeakPolarHBondContact CG2-OG 3.44Å; R61-S353 PolarHBondContact NE-O 3.06Å; R61-S353 PolarHBondContact NE-OG 2.8Å; R61-S353 PolarHBondContact NH2-OG 3.1Å; I349-S353 VanDerWaalsContact O-CB 3.3Å; I349-S353 WeakPolarHBondContact O-CB 3.4Å; I349-S353 PolarHBondContact O-N 2.73Å; A350-S353 PolarHBondContact O-N 3.18Å; A350-S353 PolarHBondContact O-OG 3.21Å; A351-S353 VanDerWaalsContact C-N 3.29Å; A351-S353 PolarHBondContact O-N 2.84Å; S353-V355 VanDerWaalsContact C-N 3.3Å; S353-D357 WeakPolarHBondContact O-CB 3.08Å; S353-D357 PolarHBondContact O-N 3.06Å; S353-D357 VanDerWaalsContact O-N 3.09Å
354	G	98.4	Very high	98.7	Very high	11 Å²	11	19.2 Å²	19.2	11%	0.113	11%	0.108	C	C	.	.	H	α-helix	trans	-77.2	-12	176.2	0	0	0	0	0	114.3	A350 A351 Q352 K371	A350-G354 PolarHBondContact O-N 3.11Å; A351-G354 CarbonylContact O-C 3.5Å; A351-G354 WeakPolarHBondContact O-CA 3.5Å; A351-G354 PolarHBondContact O-N 3.36Å; Q352-G354 PolarHBondContact O-N 2.76Å; G354-K371 PolarHBondContact O-NZ 2.83Å
355	V	98.8	Very high	98.6	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-92.7	-55.1	170.4	175.9	0	0	0	0	109.4	E321 L323 A351 Q352 S353 D357 K358 T359 K371 Y373	E321-V355 WeakPolarHBondContact O-CG1 3.12Å; L323-V355 HydrophobicContact CD1-CG1 4.42Å; A351-V355 PolarHBondContact O-N 2.75Å; A351-V355 VanDerWaalsContact O-N 3.17Å; Q352-V355 PolarHBondContact O-N 3.26Å; S353-V355 VanDerWaalsContact C-N 3.3Å; V355-D357 VanDerWaalsContact C-N 3.26Å; V355-D357 PolarHBondContact O-N 2.79Å; V355-K358 WeakPolarHBondContact O-CA 3.33Å; V355-K358 WeakPolarHBondContact O-CB 3.12Å; V355-K358 PolarHBondContact O-N 3.42Å; V355-T359 PolarHBondContact O-N 2.96Å; V355-T359 PolarHBondContact O-OG1 3.34Å; V355-K371 WeakPolarHBondContact CG1-O 3.31Å; V355-K371 HydrophobicContact CG2-CD 4.37Å; V355-Y373 HydrophobicContact CG2-CD2 4.45Å
356	L	98.9	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-32.7	-177.8	-177.9	58.7	0	0	0	113.3	M58 I142 L323 F332 I334 Q352 K358 T359 I360	M58-L356 HydrophobicContact CE-CB 4.08Å; M58-L356 HydrophobicContact CE-CD2 3.73Å; M58-L356 HydrophobicContact CE-CG 3.62Å; M58-L356 HydrophobicContact CG-CD2 4.33Å; M58-L356 HydrophobicContact SD-CB 4.35Å; M58-L356 HydrophobicContact SD-CD2 4.04Å; M58-L356 HydrophobicContact SD-CG 4.32Å; I142-L356 HydrophobicContact CG2-CD2 4.35Å; L323-L356 HydrophobicContact CB-CB 4.35Å; L323-L356 HydrophobicContact CB-CD1 4.02Å; L323-L356 HydrophobicContact CD2-CB 4.34Å; F332-L356 HydrophobicContact CB-CD1 3.69Å; F332-L356 HydrophobicContact CB-CD2 4.31Å; F332-L356 HydrophobicContact CD1-CD1 3.43Å; F332-L356 VanDerWaalsContact CD1-CD1 3.43Å; F332-L356 HydrophobicContact CE1-CD1 4.35Å; F332-L356 HydrophobicContact CG-CD1 3.78Å; I334-L356 HydrophobicContact CB-CD2 4.03Å; I334-L356 HydrophobicContact CD1-CD2 4.38Å; Q352-L356 WeakPolarHBondContact O-CB 3.46Å; Q352-L356 PolarHBondContact O-N 3.07Å; L356-K358 PolarHBondContact O-N 2.89Å; L356-T359 PolarHBondContact O-N 3.31Å; L356-I360 HydrophobicContact CD1-CD1 3.78Å; L356-I360 HydrophobicContact CD1-CG1 3.79Å; L356-I360 HydrophobicContact CD2-CD1 4.46Å; L356-I360 HydrophobicContact CG-CD1 3.8Å; L356-I360 HydrophobicContact CG-CG1 4.27Å; L356-I360 WeakPolarHBondContact O-CG1 3.42Å; L356-I360 PolarHBondContact O-N 2.72Å
357	D	98.8	Very high	98.5	Very high	18 Å²	18	35.4 Å²	35.4	10%	0.096	18%	0.183	C	C	.	.	H	α-helix	trans	-51.9	-42.7	168.3	-171.9	-54.7	0	0	0	112.3	R61 K65 S353 V355 S361	R61-D357 WeakPolarHBondContact CB-OD2 3.36Å; R61-D357 WeakPolarHBondContact CD-OD2 3.41Å; R61-D357 WeakPolarHBondContact CG-OD2 3.34Å; R61-D357 IonicContact CZ-OD2 3.55Å; R61-D357 IonicContact NE-OD2 2.79Å; R61-D357 IonicContact NH1-OD2 2.88Å; R61-D357 PolarHBondContact NH1-OD2 3.33Å; K65-D357 VanDerWaalsContact CE-O 3.31Å; K65-D357 WeakPolarHBondContact CE-O 3.47Å; K65-D357 WeakPolarHBondContact CE-OD1 3.43Å; K65-D357 PolarHBondContact NZ-O 2.68Å; K65-D357 IonicContact NZ-OD1 2.66Å; K65-D357 PolarHBondContact NZ-OD1 3.02Å; S353-D357 WeakPolarHBondContact O-CB 3.08Å; S353-D357 PolarHBondContact O-N 3.06Å; S353-D357 VanDerWaalsContact O-N 3.09Å; V355-D357 VanDerWaalsContact C-N 3.26Å; V355-D357 PolarHBondContact O-N 2.79Å; D357-S361 WeakPolarHBondContact O-CB 3.34Å; D357-S361 PolarHBondContact O-N 3.45Å; D357-S361 PolarHBondContact O-OG 3.09Å
358	K	98.6	Very high	98.4	Very high	116 Å²	116	41.4 Å²	41.4	50%	0.504	21%	0.21	S	C	.	.	H	α-helix	trans	-79.8	-42.6	178	-65.4	-64.9	-173.2	173.4	0	111.8	V355 L356 I360 S361 M362 K371	V355-K358 WeakPolarHBondContact O-CA 3.33Å; V355-K358 WeakPolarHBondContact O-CB 3.12Å; V355-K358 PolarHBondContact O-N 3.42Å; L356-K358 PolarHBondContact O-N 2.89Å; K358-I360 PolarHBondContact O-N 3.47Å; K358-S361 WeakPolarHBondContact O-CA 3.49Å; K358-S361 WeakPolarHBondContact O-CB 3.05Å; K358-S361 PolarHBondContact O-N 2.94Å; K358-S361 VanDerWaalsContact O-N 3.08Å; K358-M362 WeakPolarHBondContact O-CG 3.4Å; K358-M362 PolarHBondContact O-N 3.17Å; K358-K371 HydrophobicContact CB-CB 4.38Å; K358-K371 HydrophobicContact CB-CD 4.43Å; K358-K371 HydrophobicContact CG-CD 4.16Å
359	T	98.9	Very high	98.3	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-50.7	-57.2	174.1	-49.7	0	0	0	0	111	T322 Q324 F332 V355 L356 S361 M362 V363 P369	T322-T359 WeakPolarHBondContact O-CB 3.43Å; T322-T359 WeakPolarHBondContact O-CG2 3.36Å; T322-T359 PolarHBondContact O-OG1 2.96Å; Q324-T359 HydrophobicContact CB-CG2 4.15Å; F332-T359 HydrophobicContact CD1-CG2 4.32Å; F332-T359 HydrophobicContact CE1-CG2 3.89Å; V355-T359 PolarHBondContact O-N 2.96Å; V355-T359 PolarHBondContact O-OG1 3.34Å; L356-T359 PolarHBondContact O-N 3.31Å; T359-S361 VanDerWaalsContact C-N 3.26Å; T359-S361 PolarHBondContact O-N 2.83Å; T359-M362 PolarHBondContact O-N 3.17Å; T359-V363 WeakPolarHBondContact O-CG2 3.24Å; T359-V363 PolarHBondContact O-N 3.07Å; T359-P369 HydrophobicContact CG2-CB 3.97Å; T359-P369 HydrophobicContact CG2-CG 3.6Å
360	I	98.7	Very high	98.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-37	179.7	-62.8	168.7	0	0	0	110.7	M58 M62 I142 F332 L356 K358 M362 V363 M364	M58-I360 HydrophobicContact CE-CD1 3.97Å; M62-I360 HydrophobicContact CE-CB 4.09Å; M62-I360 HydrophobicContact CE-CD1 3.78Å; M62-I360 HydrophobicContact CE-CG2 4.17Å; M62-I360 HydrophobicContact SD-CB 4.33Å; M62-I360 HydrophobicContact SD-CD1 4.01Å; M62-I360 HydrophobicContact SD-CG2 3.76Å; I142-I360 HydrophobicContact CD1-CD1 3.62Å; I142-I360 HydrophobicContact CG1-CD1 4.03Å; F332-I360 HydrophobicContact CD1-CG1 3.87Å; F332-I360 HydrophobicContact CD2-CD1 4.13Å; F332-I360 HydrophobicContact CD2-CG1 3.9Å; F332-I360 HydrophobicContact CE1-CG1 3.78Å; F332-I360 HydrophobicContact CE2-CD1 4.46Å; F332-I360 HydrophobicContact CE2-CG1 3.82Å; F332-I360 HydrophobicContact CG-CD1 4.17Å; F332-I360 HydrophobicContact CG-CG1 3.94Å; F332-I360 HydrophobicContact CZ-CG1 3.76Å; L356-I360 HydrophobicContact CD1-CD1 3.78Å; L356-I360 HydrophobicContact CD1-CG1 3.79Å; L356-I360 HydrophobicContact CD2-CD1 4.46Å; L356-I360 HydrophobicContact CG-CD1 3.8Å; L356-I360 HydrophobicContact CG-CG1 4.27Å; L356-I360 WeakPolarHBondContact O-CG1 3.42Å; L356-I360 PolarHBondContact O-N 2.72Å; K358-I360 PolarHBondContact O-N 3.47Å; I360-M362 PolarHBondContact O-N 2.75Å; I360-V363 PolarHBondContact O-N 2.74Å; I360-M364 HydrophobicContact CG2-CE 3.63Å; I360-M364 HydrophobicContact CG2-CG 4.12Å; I360-M364 HydrophobicContact CG2-SD 3.79Å; I360-M364 VanDerWaalsContact O-CB 3.25Å; I360-M364 WeakPolarHBondContact O-CB 3.46Å; I360-M364 WeakPolarHBondContact O-CG 3.1Å; I360-M364 PolarHBondContact O-N 3.27Å
361	S	98.4	Very high	98.1	Very high	28 Å²	28	52.1 Å²	52.1	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-26.1	176.5	-57.1	0	0	0	0	114.3	K65 D357 K358 T359 K365	K65-S361 VanDerWaalsContact CE-OG 3.3Å; K65-S361 WeakPolarHBondContact CE-OG 3.37Å; K65-S361 PolarHBondContact NZ-OG 3.37Å; D357-S361 WeakPolarHBondContact O-CB 3.34Å; D357-S361 PolarHBondContact O-N 3.45Å; D357-S361 PolarHBondContact O-OG 3.09Å; K358-S361 WeakPolarHBondContact O-CA 3.49Å; K358-S361 WeakPolarHBondContact O-CB 3.05Å; K358-S361 PolarHBondContact O-N 2.94Å; K358-S361 VanDerWaalsContact O-N 3.08Å; T359-S361 VanDerWaalsContact C-N 3.26Å; T359-S361 PolarHBondContact O-N 2.83Å; S361-K365 WeakPolarHBondContact O-CG 3.38Å
362	M	98.5	Very high	98.1	Very high	40 Å²	40	57.6 Å²	57.6	20%	0.197	29%	0.291	C	S	.	.	H	α-helix	trans	-89.7	-41.9	178.5	-64.9	-172.2	78.1	0	0	110.4	K358 T359 I360 M364 K365 N366 Q367 L368 T370	K358-M362 WeakPolarHBondContact O-CG 3.4Å; K358-M362 PolarHBondContact O-N 3.17Å; T359-M362 PolarHBondContact O-N 3.17Å; I360-M362 PolarHBondContact O-N 2.75Å; M362-M364 VanDerWaalsContact C-N 3.31Å; M362-M364 PolarHBondContact O-N 3.14Å; M362-K365 CarbonylContact O-C 3.24Å; M362-K365 WeakPolarHBondContact O-CA 3.44Å; M362-K365 WeakPolarHBondContact O-CB 3.47Å; M362-K365 PolarHBondContact O-N 3.41Å; M362-N366 PolarHBondContact O-N 2.88Å; M362-Q367 CarbonylContact C-O 3.21Å; M362-Q367 VanDerWaalsContact C-O 3.24Å; M362-Q367 HydrophobicContact CB-CB 4.06Å; M362-Q367 WeakPolarHBondContact CB-O 3.39Å; M362-Q367 HydrophobicContact CE-CB 4.13Å; M362-Q367 PolarHBondContact O-N 2.9Å; M362-L368 WeakPolarHBondContact CE-O 3.49Å; M362-T370 HydrophobicContact CE-CG2 4.09Å
363	V	98.4	Very high	98.1	Very high	20 Å²	20	57.7 Å²	57.7	12%	0.121	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-39.3	172.4	178.1	0	0	0	0	111.7	Y140 F332 T359 I360 K365 N366 P369	Y140-V363 HydrophobicContact CE1-CG1 4.17Å; F332-V363 HydrophobicContact CE1-CG2 4.27Å; F332-V363 HydrophobicContact CZ-CB 4.17Å; F332-V363 HydrophobicContact CZ-CG1 4.12Å; F332-V363 HydrophobicContact CZ-CG2 4.16Å; T359-V363 WeakPolarHBondContact O-CG2 3.24Å; T359-V363 PolarHBondContact O-N 3.07Å; I360-V363 PolarHBondContact O-N 2.74Å; V363-K365 PolarHBondContact O-N 2.81Å; V363-K365 VanDerWaalsContact O-N 3.08Å; V363-N366 PolarHBondContact O-N 2.89Å; V363-P369 HydrophobicContact CG2-CG 4.21Å
364	M	98.1	Very high	98	Very high	49 Å²	49	60.8 Å²	60.8	24%	0.241	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.7	171.7	-78.2	174.7	168	0	0	114.5	V46 K65 V66 Y140 I360 M362	V46-M364 HydrophobicContact CG2-CE 3.93Å; K65-M364 HydrophobicContact CD-SD 4.48Å; V66-M364 HydrophobicContact CG1-CE 3.63Å; V66-M364 HydrophobicContact CG1-SD 4.34Å; Y140-M364 HydrophobicContact CD2-CE 3.59Å; Y140-M364 HydrophobicContact CD2-CG 4.39Å; Y140-M364 HydrophobicContact CE2-CE 3.64Å; Y140-M364 HydrophobicContact CE2-CG 3.63Å; Y140-M364 HydrophobicContact CG-CE 4.47Å; I360-M364 HydrophobicContact CG2-CE 3.63Å; I360-M364 HydrophobicContact CG2-CG 4.12Å; I360-M364 HydrophobicContact CG2-SD 3.79Å; I360-M364 VanDerWaalsContact O-CB 3.25Å; I360-M364 WeakPolarHBondContact O-CB 3.46Å; I360-M364 WeakPolarHBondContact O-CG 3.1Å; I360-M364 PolarHBondContact O-N 3.27Å; M362-M364 VanDerWaalsContact C-N 3.31Å; M362-M364 PolarHBondContact O-N 3.14Å
365	K	97.9	Very high	98	Very high	144 Å²	144	60.2 Å²	60.2	63%	0.626	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	7.9	176.7	-64.7	-179	176.1	-166.4	0	113	S361 M362 V363 Q367	S361-K365 WeakPolarHBondContact O-CG 3.38Å; M362-K365 CarbonylContact O-C 3.24Å; M362-K365 WeakPolarHBondContact O-CA 3.44Å; M362-K365 WeakPolarHBondContact O-CB 3.47Å; M362-K365 PolarHBondContact O-N 3.41Å; V363-K365 PolarHBondContact O-N 2.81Å; V363-K365 VanDerWaalsContact O-N 3.08Å; K365-Q367 HydrophobicContact CB-CB 4.49Å; K365-Q367 HydrophobicContact CB-CG 3.98Å; K365-Q367 PolarHBondContact O-N 2.66Å
366	N	97.6	Very high	98	Very high	159 Å²	159	60.5 Å²	60.5	85%	0.85	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	36	-170.3	-53.4	-34.3	0	0	0	113.1	M362 V363	M362-N366 PolarHBondContact O-N 2.88Å; V363-N366 PolarHBondContact O-N 2.89Å
367	Q	97.8	Very high	98	Very high	100 Å²	100	60.5 Å²	60.5	47%	0.467	30%	0.302	S	S	.	.			trans	-111.1	142	179	-66.1	177.9	-22.5	0	0	111	M362 K365	M362-Q367 CarbonylContact C-O 3.21Å; M362-Q367 VanDerWaalsContact C-O 3.24Å; M362-Q367 HydrophobicContact CB-CB 4.06Å; M362-Q367 WeakPolarHBondContact CB-O 3.39Å; M362-Q367 HydrophobicContact CE-CB 4.13Å; M362-Q367 PolarHBondContact O-N 2.9Å; K365-Q367 HydrophobicContact CB-CB 4.49Å; K365-Q367 HydrophobicContact CB-CG 3.98Å; K365-Q367 PolarHBondContact O-N 2.66Å
368	L	96	Very high	98	Very high	151 Å²	151	60.2 Å²	60.2	79%	0.791	30%	0.302	S	S	*	.			trans	-65.9	131.4	175.8	-66.2	175.2	0	0	0	111.2	M362 T370	M362-L368 WeakPolarHBondContact CE-O 3.49Å; L368-T370 PolarHBondContact O-N 3.17Å
369	P	96.8	Very high	98	Very high	28 Å²	28	54.9 Å²	54.9	18%	0.182	28%	0.279	C	S	.	.			trans	-61.8	124.5	176.3	-23.4	34	0	0	0	112.8	T322 T359 V363	T322-P369 HydrophobicContact CG2-CB 3.77Å; T322-P369 HydrophobicContact CG2-CG 4.32Å; T359-P369 HydrophobicContact CG2-CB 3.97Å; T359-P369 HydrophobicContact CG2-CG 3.6Å; V363-P369 HydrophobicContact CG2-CG 4.21Å
370	T	96.1	Very high	98	Very high	112 Å²	112	56.2 Å²	56.2	69%	0.687	29%	0.287	S	S	*	.			trans	-103.7	-18.8	179.5	53.9	0	0	0	0	114.4	M362 L368	M362-T370 HydrophobicContact CE-CG2 4.09Å; L368-T370 PolarHBondContact O-N 3.17Å
371	K	96.5	Very high	98	Very high	95 Å²	95	56.2 Å²	56.2	41%	0.413	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-86.9	116.9	176.6	-173.4	-176.7	175.2	-169	0	109.8	G354 V355 K358	G354-K371 PolarHBondContact O-NZ 2.83Å; V355-K371 WeakPolarHBondContact CG1-O 3.31Å; V355-K371 HydrophobicContact CG2-CD 4.37Å; K358-K371 HydrophobicContact CB-CB 4.38Å; K358-K371 HydrophobicContact CB-CD 4.43Å; K358-K371 HydrophobicContact CG-CD 4.16Å
372	K	98.5	Very high	98	Very high	127 Å²	127	54.9 Å²	54.9	55%	0.552	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-91.2	150.2	176.9	-60.6	173.4	164.2	-128.7	0	111.9	E321	E321-K372 HydrophobicContact CB-CB 3.99Å; E321-K372 HydrophobicContact CB-CG 4.02Å; E321-K372 HydrophobicContact CG-CB 4.37Å; E321-K372 HydrophobicContact CG-CG 4.38Å; E321-K372 CarbonylContact O-C 3.31Å; E321-K372 VanDerWaalsContact OE1-CD 3.3Å; E321-K372 WeakPolarHBondContact OE1-CD 3.38Å; E321-K372 WeakPolarHBondContact OE1-CE 3.36Å; E321-K372 IonicContact OE1-NZ 3.37Å; E321-K372 PolarHBondContact OE1-NZ 3.35Å; E321-K372 WeakPolarHBondContact OE2-CD 3.4Å; E321-K372 WeakPolarHBondContact OE2-CE 3.27Å; E321-K372 IonicContact OE2-NZ 2.67Å; E321-K372 PolarHBondContact OE2-NZ 2.99Å
373	Y	98.8	Very high	98	Very high	6 Å²	6	53 Å²	53	2%	0.024	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-88.7	130.9	166.6	178.7	-141.9	0	0	0	109.4	E321 L323 L340 T342 A348 A351 Q352 V355 G375 Y376 Y395	E321-Y373 WeakPolarHBondContact O-CB 3.32Å; E321-Y373 PolarHBondContact O-N 3.47Å; L323-Y373 HydrophobicContact CD1-CD1 3.9Å; L323-Y373 HydrophobicContact CD1-CG 4.21Å; L340-Y373 HydrophobicContact CD1-CE1 4.3Å; T342-Y373 HydrophobicContact CG2-CE1 4.18Å; A348-Y373 WeakPolarHBondContact CB-OH 3.21Å; A351-Y373 HydrophobicContact CB-CE2 4.02Å; Q352-Y373 HydrophobicContact CG-CD1 4.03Å; Q352-Y373 HydrophobicContact CG-CD2 4.47Å; Q352-Y373 HydrophobicContact CG-CE1 3.48Å; Q352-Y373 VanDerWaalsContact CG-CE1 3.48Å; Q352-Y373 HydrophobicContact CG-CE2 3.98Å; Q352-Y373 HydrophobicContact CG-CG 4.5Å; Q352-Y373 VanDerWaalsContact CG-CZ 3.45Å; Q352-Y373 PolarHBondContact NE2-OH 2.74Å; V355-Y373 HydrophobicContact CG2-CD2 4.45Å; Y373-G375 VanDerWaalsContact C-N 3.26Å; Y373-G375 VanDerWaalsContact CZ-C 3.46Å; Y373-G375 VanDerWaalsContact CZ-CA 3.46Å; Y373-G375 PolarHBondContact O-N 2.77Å; Y373-G375 PolarHBondContact OH-O 3.08Å; Y373-Y376 VanDerWaalsContact CE2-N 3.31Å; Y373-Y376 PolarHBondContact OH-O 3.32Å; Y373-Y395 HydrophobicContact CD1-CE2 4.16Å; Y373-Y395 AromaticContact CD1-CZ 3.88Å; Y373-Y395 VanDerWaalsContact CD1-OH 3.26Å; Y373-Y395 WeakPolarHBondContact CD1-OH 3.34Å; Y373-Y395 AromaticContact CE1-CZ 3.96Å; Y373-Y395 WeakPolarHBondContact CE1-OH 3.44Å
374	D	98.4	Very high	98	Very high	65 Å²	65	52.1 Å²	52.1	35%	0.348	26%	0.264	S	S	.	.			trans	-82.8	2.3	179.7	55.3	-6.1	0	0	0	113.3	Y376 D394 Y395 R442	D374-Y376 PolarHBondContact O-N 3.22Å; D374-Y376 WeakPolarHBondContact OD1-CB 3.45Å; D374-Y376 PolarHBondContact OD1-N 3.29Å; D374-Y376 VanDerWaalsContact OD1-N 3.07Å; D374-D394 WeakPolarHBondContact O-CB 3.36Å; D374-Y395 PolarHBondContact O-N 2.93Å; D374-Y395 VanDerWaalsContact O-N 3.12Å; D374-R442 IonicContact OD2-NH2 2.69Å
375	G	98.5	Very high	98	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.			trans	74.1	6.4	-171.4	0	0	0	0	0	113.8	T342 Y373 T377 Y395	T342-G375 WeakPolarHBondContact CB-O 3.39Å; T342-G375 PolarHBondContact OG1-O 3.13Å; Y373-G375 VanDerWaalsContact C-N 3.26Å; Y373-G375 VanDerWaalsContact CZ-C 3.46Å; Y373-G375 VanDerWaalsContact CZ-CA 3.46Å; Y373-G375 PolarHBondContact O-N 2.77Å; Y373-G375 PolarHBondContact OH-O 3.08Å; G375-T377 PolarHBondContact O-N 3.43Å; G375-Y395 VanDerWaalsContact CA-CD2 3.4Å; G375-Y395 VanDerWaalsContact CA-CE2 3.45Å; G375-Y395 VanDerWaalsContact CA-CG 3.46Å; G375-Y395 VanDerWaalsContact N-CD2 3.34Å
376	Y	98.8	Very high	98	Very high	11 Å²	11	49.8 Å²	49.8	4%	0.043	26%	0.256	C	S	.	.			trans	-50.2	130.6	-175.2	165.6	-87.6	0	0	0	111.9	A347 A348 A351 Y373 D374 S378 E392 F393 P438 R442	A347-Y376 HydrophobicContact CB-CE1 4.39Å; A348-Y376 WeakPolarHBondContact CA-O 3.35Å; A351-Y376 HydrophobicContact CB-CD1 3.59Å; A351-Y376 HydrophobicContact CB-CE1 4.36Å; A351-Y376 HydrophobicContact CB-CG 4.47Å; Y373-Y376 VanDerWaalsContact CE2-N 3.31Å; Y373-Y376 PolarHBondContact OH-O 3.32Å; D374-Y376 PolarHBondContact O-N 3.22Å; D374-Y376 WeakPolarHBondContact OD1-CB 3.45Å; D374-Y376 PolarHBondContact OD1-N 3.29Å; D374-Y376 VanDerWaalsContact OD1-N 3.07Å; Y376-S378 WeakPolarHBondContact OH-CB 3.5Å; Y376-E392 HydrophobicContact CE2-CB 4.14Å; Y376-E392 HydrophobicContact CE2-CG 4.04Å; Y376-E392 WeakPolarHBondContact CE2-OE1 3.48Å; Y376-E392 PolarHBondContact OH-OE1 3.26Å; Y376-F393 WeakPolarHBondContact CA-O 3.44Å; Y376-P438 HydrophobicContact CE1-CG 4.17Å; Y376-P438 HydrophobicContact CE2-CG 4.05Å; Y376-P438 WeakPolarHBondContact OH-CD 3.23Å; Y376-P438 VanDerWaalsContact OH-CG 3.28Å; Y376-P438 WeakPolarHBondContact OH-CG 3.2Å; Y376-R442 VanDerWaalsContact CD2-NH1 3.35Å
377	T	98.8	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.9	175.4	-167.4	0	0	0	0	110	T342 S343 T345 G375 F393	T342-T377 WeakPolarHBondContact OG1-CG2 3.33Å; S343-T377 PolarHBondContact O-OG1 3.41Å; T345-T377 PolarHBondContact OG1-OG1 3.05Å; G375-T377 PolarHBondContact O-N 3.43Å; T377-F393 HydrophobicContact CG2-CD1 4.25Å; T377-F393 HydrophobicContact CG2-CD2 3.59Å; T377-F393 HydrophobicContact CG2-CE1 3.98Å; T377-F393 HydrophobicContact CG2-CE2 3.3Å; T377-F393 HydrophobicContact CG2-CG 4.08Å; T377-F393 HydrophobicContact CG2-CZ 3.51Å; T377-F393 PolarHBondContact N-O 3.2Å; T377-F393 PolarHBondContact O-N 3.03Å; T377-F393 VanDerWaalsContact O-N 3.17Å
378	S	98.6	Very high	98.1	Very high	11 Å²	11	40.8 Å²	40.8	8%	0.077	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.5	176.2	-177.7	0	0	0	0	112.3	Y376 L390 A391	Y376-S378 WeakPolarHBondContact OH-CB 3.5Å; S378-L390 WeakPolarHBondContact OG-CD1 3.47Å; S378-A391 CarbonylContact C-O 3.58Å; S378-A391 VanDerWaalsContact CA-O 3.24Å; S378-A391 WeakPolarHBondContact CA-O 3.41Å; S378-A391 PolarHBondContact OG-O 3.3Å
379	C	98.3	Very high	98.2	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	94.5	172	-168.3	0	0	0	0	109	K207 F237 L381 A391	K207-C379 VanDerWaalsContact CE-SG 3.51Å; K207-C379 PolarHBondContact NZ-SG 3.37Å; F237-C379 HydrophobicContact CE2-CB 4.34Å; F237-C379 HydrophobicContact CZ-CB 4.01Å; C379-L381 PolarHBondContact O-N 2.88Å; C379-A391 HydrophobicContact CB-CB 4.34Å; C379-A391 PolarHBondContact N-O 3.25Å; C379-A391 WeakPolarHBondContact O-CB 3.34Å; C379-A391 PolarHBondContact O-N 3.48Å
380	P	98.3	Very high	98.3	Very high	30 Å²	30	32.5 Å²	32.5	20%	0.195	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	100.3	168.5	27.3	-33.4	0	0	0	108.4	K207 V382 V388 L390 K418	K207-P380 WeakPolarHBondContact CD-O 3.48Å; K207-P380 WeakPolarHBondContact CE-O 3.37Å; K207-P380 PolarHBondContact NZ-O 3.28Å; P380-V382 PolarHBondContact O-N 3.49Å; P380-V388 HydrophobicContact CB-CG1 3.85Å; P380-L390 HydrophobicContact CB-CD1 3.86Å; P380-K418 HydrophobicContact CB-CB 4.01Å; P380-K418 HydrophobicContact CB-CG 3.82Å; P380-K418 HydrophobicContact CG-CB 4.39Å; P380-K418 HydrophobicContact CG-CG 3.82Å
381	L	98.8	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	95.4	179.6	-68.9	150.3	0	0	0	107.7	Q206 F237 L246 C379 T383 V388 I389 A391	Q206-L381 HydrophobicContact CG-CD2 4.47Å; F237-L381 HydrophobicContact CD2-CD2 4.34Å; F237-L381 HydrophobicContact CE2-CD1 4.25Å; F237-L381 HydrophobicContact CE2-CD2 4.11Å; F237-L381 HydrophobicContact CZ-CD1 4.33Å; L246-L381 HydrophobicContact CD1-CD1 3.96Å; L246-L381 HydrophobicContact CD1-CD2 4.33Å; L246-L381 HydrophobicContact CD2-CD1 4.38Å; L246-L381 HydrophobicContact CD2-CD2 4.47Å; C379-L381 PolarHBondContact O-N 2.88Å; L381-T383 PolarHBondContact O-N 2.71Å; L381-V388 CarbonylContact O-C 3.52Å; L381-V388 VanDerWaalsContact O-CA 3.25Å; L381-V388 WeakPolarHBondContact O-CA 3.24Å; L381-I389 HydrophobicContact CB-CB 4.09Å; L381-I389 WeakPolarHBondContact CB-O 3.29Å; L381-I389 HydrophobicContact CD1-CB 4.43Å; L381-I389 HydrophobicContact CD1-CG2 4.05Å; L381-I389 PolarHBondContact N-O 3.01Å; L381-I389 PolarHBondContact O-N 3.3Å; L381-A391 HydrophobicContact CD1-CB 3.86Å
382	V	98.7	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	114.1	169.6	-170.9	0	0	0	0	108.4	L88 K207 L211 P380 G384 V388 Y415 K418	L88-V382 HydrophobicContact CD2-CG1 4.26Å; L88-V382 HydrophobicContact CD2-CG2 4.39Å; K207-V382 WeakPolarHBondContact CA-O 3.28Å; K207-V382 HydrophobicContact CB-CB 4.37Å; K207-V382 HydrophobicContact CD-CG2 4.44Å; K207-V382 HydrophobicContact CG-CB 4.33Å; L211-V382 HydrophobicContact CD1-CB 4.26Å; L211-V382 HydrophobicContact CD1-CG1 3.82Å; L211-V382 HydrophobicContact CD2-CG1 3.78Å; L211-V382 HydrophobicContact CG-CG1 3.88Å; P380-V382 PolarHBondContact O-N 3.49Å; V382-G384 VanDerWaalsContact CG1-O 3.3Å; V382-G384 WeakPolarHBondContact CG1-O 3.44Å; V382-V388 HydrophobicContact CB-CG2 4.27Å; V382-V388 HydrophobicContact CG2-CG2 3.83Å; V382-Y415 HydrophobicContact CG1-CD2 4.2Å; V382-Y415 HydrophobicContact CG1-CE2 4.02Å; V382-K418 HydrophobicContact CG2-CD 3.66Å; V382-K418 HydrophobicContact CG2-CG 4.47Å
383	T	98.7	Very high	98.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-1.4	179.8	53.6	0	0	0	0	111.8	Y210 L246 I249 R253 L381 K387 I389 E410	Y210-T383 HydrophobicContact CD2-CG2 4.06Å; Y210-T383 HydrophobicContact CE2-CG2 4.39Å; L246-T383 HydrophobicContact CD2-CG2 4.32Å; I249-T383 HydrophobicContact CD1-CG2 3.77Å; R253-T383 PolarHBondContact NH1-O 2.94Å; L381-T383 PolarHBondContact O-N 2.71Å; T383-K387 PolarHBondContact N-O 2.82Å; T383-K387 PolarHBondContact OG1-O 2.92Å; T383-I389 HydrophobicContact CG2-CD1 4.05Å; T383-I389 HydrophobicContact CG2-CG1 4.14Å; T383-E410 WeakPolarHBondContact CB-OE1 3.36Å; T383-E410 PolarHBondContact OG1-OE1 2.76Å
384	G	98.1	Very high	98.5	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.031	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	175	170.4	0	0	0	0	0	112.2	V382 N386 K387 Y415	V382-G384 VanDerWaalsContact CG1-O 3.3Å; V382-G384 WeakPolarHBondContact CG1-O 3.44Å; G384-N386 PolarHBondContact O-N 2.84Å; G384-K387 PolarHBondContact N-O 3.23Å; G384-K387 PolarHBondContact O-N 3.31Å; G384-K387 VanDerWaalsContact O-N 3.13Å; G384-Y415 WeakPolarHBondContact O-CE2 3.42Å
385	Y	98.4	Very high	98.5	Very high	59 Å²	59	18 Å²	18	23%	0.231	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-4.2	-177.4	-71.3	-82	0	0	0	115.8	A91 A93 L211 A214 Y415	A91-Y385 HydrophobicContact CB-CE1 4.16Å; A91-Y385 WeakPolarHBondContact O-CE1 3.35Å; A91-Y385 PolarHBondContact O-OH 3.05Å; A93-Y385 HydrophobicContact CB-CD1 4.07Å; A93-Y385 HydrophobicContact CB-CE1 4.1Å; L211-Y385 HydrophobicContact CD2-CD1 3.99Å; L211-Y385 HydrophobicContact CD2-CD2 4.18Å; L211-Y385 HydrophobicContact CD2-CE1 3.92Å; L211-Y385 HydrophobicContact CD2-CE2 4.11Å; L211-Y385 HydrophobicContact CD2-CG 4.09Å; L211-Y385 WeakPolarHBondContact O-CE2 3.45Å; L211-Y385 PolarHBondContact O-OH 3Å; L211-Y385 VanDerWaalsContact O-OH 3.06Å; A214-Y385 HydrophobicContact CB-CD2 4Å; A214-Y385 HydrophobicContact CB-CE2 4.1Å; Y385-Y415 VanDerWaalsContact O-CE1 3.28Å; Y385-Y415 WeakPolarHBondContact O-CE1 3.34Å; Y385-Y415 PolarHBondContact O-OH 3.18Å
386	N	97.8	Very high	98.4	Very high	84 Å²	84	23.5 Å²	23.5	45%	0.449	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144	15.8	175.3	65.2	-16.2	0	0	0	112.3	G384 V412	G384-N386 PolarHBondContact O-N 2.84Å; N386-V412 VanDerWaalsContact O-CA 3.27Å; N386-V412 WeakPolarHBondContact O-CA 3.45Å; N386-V412 WeakPolarHBondContact O-CG2 3.46Å
387	K	98.3	Very high	98.3	Very high	71 Å²	71	24.9 Å²	24.9	31%	0.309	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.1	-169.4	-82.8	171.7	151.8	-162.2	0	112	T383 G384 E410	T383-K387 PolarHBondContact N-O 2.82Å; T383-K387 PolarHBondContact OG1-O 2.92Å; G384-K387 PolarHBondContact N-O 3.23Å; G384-K387 PolarHBondContact O-N 3.31Å; G384-K387 VanDerWaalsContact O-N 3.13Å; K387-E410 HydrophobicContact CB-CB 4.16Å; K387-E410 HydrophobicContact CD-CB 4Å; K387-E410 HydrophobicContact CD-CG 4.48Å; K387-E410 WeakPolarHBondContact CD-OE2 3.41Å; K387-E410 WeakPolarHBondContact CE-OE2 3.42Å; K387-E410 HydrophobicContact CG-CB 3.98Å; K387-E410 IonicContact NZ-OE2 2.91Å; K387-E410 PolarHBondContact NZ-OE2 3.07Å
388	V	98.8	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135	171	162.5	0	0	0	0	110.3	P380 L381 V382 L390 R411 M414 Y415 K418	P380-V388 HydrophobicContact CB-CG1 3.85Å; L381-V388 CarbonylContact O-C 3.52Å; L381-V388 VanDerWaalsContact O-CA 3.25Å; L381-V388 WeakPolarHBondContact O-CA 3.24Å; V382-V388 HydrophobicContact CB-CG2 4.27Å; V382-V388 HydrophobicContact CG2-CG2 3.83Å; V388-L390 HydrophobicContact CG1-CB 4.39Å; V388-R411 PolarHBondContact N-O 3.12Å; V388-R411 VanDerWaalsContact N-O 3.12Å; V388-R411 PolarHBondContact O-N 2.84Å; V388-M414 HydrophobicContact CB-CB 3.86Å; V388-M414 HydrophobicContact CG1-CB 3.77Å; V388-Y415 HydrophobicContact CG2-CD2 4.09Å; V388-K418 HydrophobicContact CG2-CB 4.3Å
389	I	98.8	Very high	98.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.9	156.6	-66.4	179.5	0	0	0	106.8	Y242 A245 L246 I249 L381 T383 A391 S408 E410	Y242-I389 HydrophobicContact CD1-CG2 4.11Å; A245-I389 HydrophobicContact CB-CD1 4.13Å; L246-I389 HydrophobicContact CD2-CD1 4.31Å; I249-I389 HydrophobicContact CD1-CD1 3.72Å; L381-I389 HydrophobicContact CB-CB 4.09Å; L381-I389 WeakPolarHBondContact CB-O 3.29Å; L381-I389 HydrophobicContact CD1-CB 4.43Å; L381-I389 HydrophobicContact CD1-CG2 4.05Å; L381-I389 PolarHBondContact N-O 3.01Å; L381-I389 PolarHBondContact O-N 3.3Å; T383-I389 HydrophobicContact CG2-CD1 4.05Å; T383-I389 HydrophobicContact CG2-CG1 4.14Å; I389-A391 PolarHBondContact O-N 2.68Å; I389-S408 VanDerWaalsContact CD1-O 3.23Å; I389-S408 WeakPolarHBondContact CD1-O 3.24Å; I389-S408 VanDerWaalsContact CG1-O 3.25Å; I389-S408 WeakPolarHBondContact CG1-O 3.15Å; I389-E410 HydrophobicContact CD1-CG 4.33Å; I389-E410 HydrophobicContact CG1-CG 4.12Å
390	L	98.8	Very high	98.2	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	87.2	-177.9	-178.4	65.1	0	0	0	109.9	S378 P380 V388 E392 F403 Q407 M414 M417	S378-L390 WeakPolarHBondContact OG-CD1 3.47Å; P380-L390 HydrophobicContact CB-CD1 3.86Å; V388-L390 HydrophobicContact CG1-CB 4.39Å; L390-E392 HydrophobicContact CG-CG 4.31Å; L390-E392 PolarHBondContact O-N 3.22Å; L390-F403 HydrophobicContact CD2-CD2 4.13Å; L390-F403 HydrophobicContact CD2-CE2 3.99Å; L390-Q407 HydrophobicContact CB-CB 4.17Å; L390-Q407 PolarHBondContact N-O 3.28Å; L390-Q407 VanDerWaalsContact N-O 3.1Å; L390-Q407 VanDerWaalsContact O-CB 3.27Å; L390-Q407 WeakPolarHBondContact O-CB 3.46Å; L390-Q407 PolarHBondContact O-NE2 3Å; L390-M414 HydrophobicContact CB-CB 4.32Å; L390-M414 HydrophobicContact CB-CG 4.06Å; L390-M414 HydrophobicContact CB-SD 3.96Å; L390-M414 HydrophobicContact CD2-SD 3.49Å; L390-M414 WeakPolarHBondContact CD2-SD 3.38Å; L390-M414 HydrophobicContact CG-SD 4.35Å; L390-M417 HydrophobicContact CD1-CE 3.87Å; L390-M417 HydrophobicContact CD2-CE 3.63Å; L390-M417 HydrophobicContact CG-CE 4.41Å
391	A	98.8	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.1	173.1	0	0	0	0	0	110.7	F237 Y242 S378 C379 L381 I389 F393	F237-A391 HydrophobicContact CE1-CB 3.95Å; F237-A391 HydrophobicContact CZ-CB 3.98Å; Y242-A391 HydrophobicContact CD1-CB 4Å; Y242-A391 HydrophobicContact CD2-CB 3.45Å; Y242-A391 VanDerWaalsContact CD2-CB 3.45Å; Y242-A391 HydrophobicContact CE1-CB 4.17Å; Y242-A391 HydrophobicContact CE2-CB 3.67Å; Y242-A391 HydrophobicContact CG-CB 3.64Å; S378-A391 CarbonylContact C-O 3.58Å; S378-A391 VanDerWaalsContact CA-O 3.24Å; S378-A391 WeakPolarHBondContact CA-O 3.41Å; S378-A391 PolarHBondContact OG-O 3.3Å; C379-A391 HydrophobicContact CB-CB 4.34Å; C379-A391 PolarHBondContact N-O 3.25Å; C379-A391 WeakPolarHBondContact O-CB 3.34Å; C379-A391 PolarHBondContact O-N 3.48Å; L381-A391 HydrophobicContact CD1-CB 3.86Å; I389-A391 PolarHBondContact O-N 2.68Å; A391-F393 HydrophobicContact CB-CD1 4.46Å; A391-F393 HydrophobicContact CB-CE1 4.38Å
392	E	98.8	Very high	98.1	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.5	169.3	-74.5	178.3	100.3	0	0	108.9	Y242 Y376 L390 P399 L400 T402 Q407	Y242-E392 PolarHBondContact OH-N 3.23Å; Y242-E392 VanDerWaalsContact OH-N 3.11Å; Y242-E392 PolarHBondContact OH-O 2.83Å; Y376-E392 HydrophobicContact CE2-CB 4.14Å; Y376-E392 HydrophobicContact CE2-CG 4.04Å; Y376-E392 WeakPolarHBondContact CE2-OE1 3.48Å; Y376-E392 PolarHBondContact OH-OE1 3.26Å; L390-E392 HydrophobicContact CG-CG 4.31Å; L390-E392 PolarHBondContact O-N 3.22Å; E392-P399 WeakPolarHBondContact O-CA 3.26Å; E392-L400 PolarHBondContact O-N 2.77Å; E392-T402 WeakPolarHBondContact OE1-CB 3.4Å; E392-T402 PolarHBondContact OE1-OG1 2.81Å; E392-T402 WeakPolarHBondContact OE2-CB 3.3Å; E392-T402 PolarHBondContact OE2-N 2.98Å; E392-T402 PolarHBondContact OE2-OG1 2.6Å; E392-Q407 PolarHBondContact OE2-NE2 2.72Å; E392-Q407 PolarHBondContact OE2-OE1 3.41Å
393	F	98.7	Very high	98.1	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.057	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	169.7	-175.2	54.2	-85	0	0	0	112.8	F237 V239 Y242 S343 Y376 T377 A391 Q398	F237-F393 HydrophobicContact CE1-CD1 4.5Å; F237-F393 AromaticContact CE1-CE1 3.84Å; F237-F393 HydrophobicContact CE1-CE1 3.84Å; F237-F393 HydrophobicContact CE1-CZ 4.33Å; F237-F393 AromaticContact CZ-CE1 3.79Å; F237-F393 HydrophobicContact CZ-CE1 3.79Å; F237-F393 HydrophobicContact CZ-CZ 4.18Å; V239-F393 HydrophobicContact CG2-CB 3.99Å; V239-F393 HydrophobicContact CG2-CD1 3.88Å; V239-F393 HydrophobicContact CG2-CD2 3.74Å; V239-F393 HydrophobicContact CG2-CE1 4.23Å; V239-F393 HydrophobicContact CG2-CE2 4.08Å; V239-F393 HydrophobicContact CG2-CG 3.62Å; V239-F393 HydrophobicContact CG2-CZ 4.31Å; Y242-F393 HydrophobicContact CE2-CD1 4.32Å; S343-F393 WeakPolarHBondContact OG-CZ 3.48Å; Y376-F393 WeakPolarHBondContact CA-O 3.44Å; T377-F393 HydrophobicContact CG2-CD1 4.25Å; T377-F393 HydrophobicContact CG2-CD2 3.59Å; T377-F393 HydrophobicContact CG2-CE1 3.98Å; T377-F393 HydrophobicContact CG2-CE2 3.3Å; T377-F393 HydrophobicContact CG2-CG 4.08Å; T377-F393 HydrophobicContact CG2-CZ 3.51Å; T377-F393 PolarHBondContact N-O 3.2Å; T377-F393 PolarHBondContact O-N 3.03Å; T377-F393 VanDerWaalsContact O-N 3.17Å; A391-F393 HydrophobicContact CB-CD1 4.46Å; A391-F393 HydrophobicContact CB-CE1 4.38Å; F393-Q398 WeakPolarHBondContact CA-O 3.35Å; F393-Q398 WeakPolarHBondContact CB-O 3.31Å
394	D	98.2	Very high	97.9	Very high	25 Å²	25	39.8 Å²	39.8	13%	0.134	21%	0.205	C	C	.	.			trans	-111.6	-169.7	-172.9	77.5	-22.7	0	0	0	113.1	D374 N396 A397 Q398 L400	D374-D394 WeakPolarHBondContact O-CB 3.36Å; D394-N396 PolarHBondContact O-N 3.42Å; D394-N396 WeakPolarHBondContact OD1-CA 3.36Å; D394-N396 PolarHBondContact OD1-N 3.19Å; D394-N396 PolarHBondContact OD2-ND2 2.83Å; D394-A397 PolarHBondContact O-N 3.01Å; D394-A397 PolarHBondContact OD1-N 3.04Å; D394-Q398 PolarHBondContact N-O 2.86Å; D394-Q398 PolarHBondContact OD1-N 3.2Å; D394-L400 HydrophobicContact CB-CD2 4.05Å
395	Y	97.6	Very high	97.8	Very high	57 Å²	57	42.8 Å²	42.8	22%	0.224	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.9	172.8	-81.3	-44.3	0	0	0	114.3	A320 P341 T342 Y373 D374 G375 A397	A320-Y395 HydrophobicContact CB-CE2 4.34Å; A320-Y395 PolarHBondContact O-OH 2.83Å; P341-Y395 HydrophobicContact CG-CD1 3.89Å; P341-Y395 HydrophobicContact CG-CE1 3.65Å; P341-Y395 WeakPolarHBondContact O-CD1 3.16Å; T342-Y395 HydrophobicContact CG2-CD1 4.5Å; T342-Y395 HydrophobicContact CG2-CE1 3.87Å; Y373-Y395 HydrophobicContact CD1-CE2 4.16Å; Y373-Y395 AromaticContact CD1-CZ 3.88Å; Y373-Y395 VanDerWaalsContact CD1-OH 3.26Å; Y373-Y395 WeakPolarHBondContact CD1-OH 3.34Å; Y373-Y395 AromaticContact CE1-CZ 3.96Å; Y373-Y395 WeakPolarHBondContact CE1-OH 3.44Å; D374-Y395 PolarHBondContact O-N 2.93Å; D374-Y395 VanDerWaalsContact O-N 3.12Å; G375-Y395 VanDerWaalsContact CA-CD2 3.4Å; G375-Y395 VanDerWaalsContact CA-CE2 3.45Å; G375-Y395 VanDerWaalsContact CA-CG 3.46Å; G375-Y395 VanDerWaalsContact N-CD2 3.34Å; Y395-A397 PolarHBondContact O-N 3Å
396	N	96.9	Very high	97.8	Very high	116 Å²	116	42.4 Å²	42.4	62%	0.62	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	9.2	-179	-54	-69.5	0	0	0	112.7	D394 Q398	D394-N396 PolarHBondContact O-N 3.42Å; D394-N396 WeakPolarHBondContact OD1-CA 3.36Å; D394-N396 PolarHBondContact OD1-N 3.19Å; D394-N396 PolarHBondContact OD2-ND2 2.83Å; N396-Q398 HydrophobicContact CB-CG 3.94Å; N396-Q398 PolarHBondContact O-N 3.13Å; N396-Q398 PolarHBondContact O-NE2 3.4Å
397	A	95.5	Very high	97.9	Very high	40 Å²	40	38.4 Å²	38.4	33%	0.331	20%	0.2	S	C	.	.			trans	54.8	26.3	-172	0	0	0	0	0	113.6	V239 D394 Y395	V239-A397 WeakPolarHBondContact CG1-O 3.44Å; V239-A397 HydrophobicContact CG2-CB 4.11Å; V239-A397 WeakPolarHBondContact CG2-O 3.33Å; D394-A397 PolarHBondContact O-N 3.01Å; D394-A397 PolarHBondContact OD1-N 3.04Å; Y395-A397 PolarHBondContact O-N 3Å
398	Q	97.4	Very high	97.9	Very high	113 Å²	113	35.8 Å²	35.8	53%	0.528	19%	0.191	S	C	.	.			trans	-93.2	142.5	179.2	-60.7	-48.3	-54.9	0	0	111.5	F393 D394 N396 L400	F393-Q398 WeakPolarHBondContact CA-O 3.35Å; F393-Q398 WeakPolarHBondContact CB-O 3.31Å; D394-Q398 PolarHBondContact N-O 2.86Å; D394-Q398 PolarHBondContact OD1-N 3.2Å; N396-Q398 HydrophobicContact CB-CG 3.94Å; N396-Q398 PolarHBondContact O-N 3.13Å; N396-Q398 PolarHBondContact O-NE2 3.4Å; Q398-L400 PolarHBondContact O-N 2.84Å
399	P	98.3	Very high	97.8	Very high	49 Å²	49	42 Å²	42	32%	0.318	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-57	127.1	175	-25.2	35.2	0	0	0	112.3	V239 K241 Y242 E392	V239-P399 HydrophobicContact CG1-CG 4.16Å; K241-P399 HydrophobicContact CB-CG 3.73Å; K241-P399 HydrophobicContact CD-CB 4.04Å; K241-P399 HydrophobicContact CD-CG 3.79Å; K241-P399 HydrophobicContact CG-CG 4.35Å; Y242-P399 HydrophobicContact CE2-CB 4.45Å; E392-P399 WeakPolarHBondContact O-CA 3.26Å
400	L	98.1	Very high	97.8	Very high	52 Å²	52	44.1 Å²	44.1	27%	0.272	23%	0.228	S	C	.	.			trans	-131	51.1	-178	-160.2	65.8	0	0	0	111	E392 D394 Q398 R442	E392-L400 PolarHBondContact O-N 2.77Å; D394-L400 HydrophobicContact CB-CD2 4.05Å; Q398-L400 PolarHBondContact O-N 2.84Å; L400-R442 VanDerWaalsContact CD2-NH2 3.33Å; L400-R442 VanDerWaalsContact CG-CZ 3.49Å; L400-R442 WeakPolarHBondContact O-CD 3.4Å; L400-R442 PolarHBondContact O-NH1 2.9Å
401	E	98.4	Very high	97.8	Very high	28 Å²	28	47 Å²	47	13%	0.131	24%	0.238	C	C	.	.			trans	-59	135.2	-171.7	-65.1	-176.4	175.3	0	0	112.9	K241 Y242 Q407 R442	K241-E401 IonicContact NZ-OE1 2.66Å; K241-E401 PolarHBondContact NZ-OE1 2.7Å; K241-E401 IonicContact NZ-OE2 2.7Å; K241-E401 PolarHBondContact NZ-OE2 3.32Å; Y242-E401 VanDerWaalsContact CE1-OE1 3.24Å; Y242-E401 WeakPolarHBondContact CE1-OE1 3.42Å; Y242-E401 VanDerWaalsContact OH-CG 3.23Å; Y242-E401 WeakPolarHBondContact OH-CG 3.44Å; Y242-E401 PolarHBondContact OH-OE1 3.35Å; Y242-E401 VanDerWaalsContact OH-OE1 3.13Å; E401-Q407 HydrophobicContact CB-CG 3.92Å; E401-Q407 VanDerWaalsContact CD-CB 3.48Å; E401-Q407 HydrophobicContact CG-CB 4.01Å; E401-Q407 HydrophobicContact CG-CG 3.86Å; E401-Q407 PolarHBondContact OE2-N 3.34Å; E401-R442 WeakPolarHBondContact O-CD 3.3Å; E401-R442 WeakPolarHBondContact O-CG 3.05Å
402	T	97.9	Very high	97.8	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.025	26%	0.259	C	S	.	.	S	Bend	trans	-79.2	-37.1	-178.3	-76.5	0	0	0	0	112.7	E392 P438 F441 R442	E392-T402 WeakPolarHBondContact OE1-CB 3.4Å; E392-T402 PolarHBondContact OE1-OG1 2.81Å; E392-T402 WeakPolarHBondContact OE2-CB 3.3Å; E392-T402 PolarHBondContact OE2-N 2.98Å; E392-T402 PolarHBondContact OE2-OG1 2.6Å; T402-P438 HydrophobicContact CG2-CB 3.87Å; T402-P438 WeakPolarHBondContact OG1-CB 3.44Å; T402-P438 WeakPolarHBondContact OG1-CG 3.31Å; T402-F441 HydrophobicContact CG2-CB 4.29Å; T402-R442 HydrophobicContact CG2-CB 4.5Å
403	F	97.3	Very high	97.8	Very high	59 Å²	59	54.5 Å²	54.5	26%	0.259	29%	0.285	S	S	.	.	S	Bend	trans	-96.6	147.6	-176.5	-59	-70.2	0	0	0	111.4	L390 I405 Q407 M414 M417	L390-F403 HydrophobicContact CD2-CD2 4.13Å; L390-F403 HydrophobicContact CD2-CE2 3.99Å; F403-I405 HydrophobicContact CB-CD1 4.28Å; F403-I405 HydrophobicContact CB-CG1 3.88Å; F403-I405 PolarHBondContact O-N 3.31Å; F403-Q407 VanDerWaalsContact CD2-OE1 3.29Å; F403-M414 HydrophobicContact CD2-CE 3.76Å; F403-M414 HydrophobicContact CD2-SD 3.79Å; F403-M414 HydrophobicContact CE2-CE 3.76Å; F403-M414 HydrophobicContact CE2-SD 3.83Å; F403-M414 HydrophobicContact CG-CE 4.46Å; F403-M414 HydrophobicContact CZ-CE 4.44Å; F403-M417 HydrophobicContact CE2-SD 3.74Å; F403-M417 HydrophobicContact CZ-SD 3.89Å
404	P	95.8	Very high	97.7	Very high	54 Å²	54	54.3 Å²	54.3	35%	0.351	28%	0.284	S	S	.	.	S	Bend	trans	-80.7	45.2	-179.3	34.7	-36	0	0	0	111.5	M445 L449	P404-M445 HydrophobicContact CG-CB 4.49Å; P404-M445 HydrophobicContact CG-CE 4.1Å; P404-L449 HydrophobicContact CB-CD1 3.42Å; P404-L449 VanDerWaalsContact CB-CD1 3.42Å
405	I	96.2	Very high	97.8	Very high	65 Å²	65	54 Å²	54	33%	0.333	28%	0.281	S	S	.	.	S	Bend	trans	-142.2	141.2	180	64.3	-175.6	0	0	0	107.4	F403 Q407 M414	F403-I405 HydrophobicContact CB-CD1 4.28Å; F403-I405 HydrophobicContact CB-CG1 3.88Å; F403-I405 PolarHBondContact O-N 3.31Å; I405-Q407 VanDerWaalsContact O-CG 3.24Å; I405-Q407 WeakPolarHBondContact O-CG 3.41Å; I405-Q407 PolarHBondContact O-N 2.84Å; I405-M414 HydrophobicContact CD1-CE 4.48Å
406	D	97.8	Very high	97.8	Very high	51 Å²	51	55.6 Å²	55.6	27%	0.273	29%	0.291	S	S	.	.			trans	-58.2	109.1	178.5	175.4	20.1	0	0	0	111.9	K241 S408 K409 R411	K241-D406 WeakPolarHBondContact CE-OD1 3.49Å; K241-D406 IonicContact NZ-OD1 2.75Å; K241-D406 PolarHBondContact NZ-OD1 3.21Å; D406-S408 VanDerWaalsContact C-N 3.32Å; D406-S408 WeakPolarHBondContact OD1-CB 3.46Å; D406-S408 PolarHBondContact OD1-N 3.46Å; D406-S408 VanDerWaalsContact OD1-N 3.16Å; D406-S408 PolarHBondContact OD1-OG 3.3Å; D406-S408 PolarHBondContact OD2-OG 3.33Å; D406-S408 VanDerWaalsContact OD2-OG 3.06Å; D406-K409 WeakPolarHBondContact OD2-CE 3.33Å; D406-K409 WeakPolarHBondContact OD2-CG 3.38Å; D406-R411 VanDerWaalsContact O-CZ 3.23Å; D406-R411 PolarHBondContact O-NE 2.77Å; D406-R411 PolarHBondContact O-NH2 3.2Å
407	Q	98.6	Very high	97.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3	-174.7	-51.2	-173.3	167.6	0	0	113.9	L390 E392 E401 F403 I405 K409	L390-Q407 HydrophobicContact CB-CB 4.17Å; L390-Q407 PolarHBondContact N-O 3.28Å; L390-Q407 VanDerWaalsContact N-O 3.1Å; L390-Q407 VanDerWaalsContact O-CB 3.27Å; L390-Q407 WeakPolarHBondContact O-CB 3.46Å; L390-Q407 PolarHBondContact O-NE2 3Å; E392-Q407 PolarHBondContact OE2-NE2 2.72Å; E392-Q407 PolarHBondContact OE2-OE1 3.41Å; E401-Q407 HydrophobicContact CB-CG 3.92Å; E401-Q407 VanDerWaalsContact CD-CB 3.48Å; E401-Q407 HydrophobicContact CG-CB 4.01Å; E401-Q407 HydrophobicContact CG-CG 3.86Å; E401-Q407 PolarHBondContact OE2-N 3.34Å; F403-Q407 VanDerWaalsContact CD2-OE1 3.29Å; I405-Q407 VanDerWaalsContact O-CG 3.24Å; I405-Q407 WeakPolarHBondContact O-CG 3.41Å; I405-Q407 PolarHBondContact O-N 2.84Å; Q407-K409 PolarHBondContact O-N 2.98Å
408	S	98.4	Very high	97.9	Very high	16 Å²	16	49.8 Å²	49.8	11%	0.112	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24	171.9	71.8	0	0	0	0	112.9	A245 I389 D406	A245-S408 WeakPolarHBondContact CB-O 3.4Å; I389-S408 VanDerWaalsContact CD1-O 3.23Å; I389-S408 WeakPolarHBondContact CD1-O 3.24Å; I389-S408 VanDerWaalsContact CG1-O 3.25Å; I389-S408 WeakPolarHBondContact CG1-O 3.15Å; D406-S408 VanDerWaalsContact C-N 3.32Å; D406-S408 WeakPolarHBondContact OD1-CB 3.46Å; D406-S408 PolarHBondContact OD1-N 3.46Å; D406-S408 VanDerWaalsContact OD1-N 3.16Å; D406-S408 PolarHBondContact OD1-OG 3.3Å; D406-S408 PolarHBondContact OD2-OG 3.33Å; D406-S408 VanDerWaalsContact OD2-OG 3.06Å
409	K	98.6	Very high	97.9	Very high	132 Å²	132	44.5 Å²	44.5	57%	0.574	23%	0.229	S	C	*	.	S	Bend	trans	-81.2	144.3	-179.2	-61	-174.8	178.4	-177.7	0	111.7	D406 Q407 R411	D406-K409 WeakPolarHBondContact OD2-CE 3.33Å; D406-K409 WeakPolarHBondContact OD2-CG 3.38Å; Q407-K409 PolarHBondContact O-N 2.98Å; K409-R411 WeakPolarHBondContact O-CG 3.39Å; K409-R411 PolarHBondContact O-N 3.35Å
410	E	98.6	Very high	97.8	Very high	45 Å²	45	45 Å²	45	21%	0.21	23%	0.228	C	C	.	.			trans	-63.1	115.8	176.2	-61.8	-165.8	101.4	0	0	111.8	I249 R253 T383 K387 I389	I249-E410 HydrophobicContact CD1-CG 3.76Å; R253-E410 IonicContact CZ-OE1 3.51Å; R253-E410 VanDerWaalsContact NH2-CD 3.25Å; R253-E410 IonicContact NH2-OE1 3.46Å; R253-E410 PolarHBondContact NH2-OE1 3.1Å; R253-E410 IonicContact NH2-OE2 3.6Å; R253-E410 PolarHBondContact NH2-OE2 3.45Å; R253-E410 VanDerWaalsContact NH2-OE2 3.14Å; T383-E410 WeakPolarHBondContact CB-OE1 3.36Å; T383-E410 PolarHBondContact OG1-OE1 2.76Å; K387-E410 HydrophobicContact CB-CB 4.16Å; K387-E410 HydrophobicContact CD-CB 4Å; K387-E410 HydrophobicContact CD-CG 4.48Å; K387-E410 WeakPolarHBondContact CD-OE2 3.41Å; K387-E410 WeakPolarHBondContact CE-OE2 3.42Å; K387-E410 HydrophobicContact CG-CB 3.98Å; K387-E410 IonicContact NZ-OE2 2.91Å; K387-E410 PolarHBondContact NZ-OE2 3.07Å; I389-E410 HydrophobicContact CD1-CG 4.33Å; I389-E410 HydrophobicContact CG1-CG 4.12Å
411	R	98.6	Very high	97.8	Very high	63 Å²	63	47 Å²	47	24%	0.238	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-124.4	135.9	-174.2	-73.1	172.2	-171.7	-76.7	2.5	113.6	V388 D406 K409 M414 Y415	V388-R411 PolarHBondContact N-O 3.12Å; V388-R411 VanDerWaalsContact N-O 3.12Å; V388-R411 PolarHBondContact O-N 2.84Å; D406-R411 VanDerWaalsContact O-CZ 3.23Å; D406-R411 PolarHBondContact O-NE 2.77Å; D406-R411 PolarHBondContact O-NH2 3.2Å; K409-R411 WeakPolarHBondContact O-CG 3.39Å; K409-R411 PolarHBondContact O-N 3.35Å; R411-M414 HydrophobicContact CB-CB 3.99Å; R411-M414 HydrophobicContact CB-CG 3.64Å; R411-M414 HydrophobicContact CG-CG 4.45Å; R411-Y415 PolarHBondContact O-N 3.38Å; R411-Y415 VanDerWaalsContact O-N 3.17Å
412	V	98.3	Very high	97.8	Very high	73 Å²	73	48.1 Å²	48.1	44%	0.442	25%	0.245	S	C	.	.	H	α-helix	trans	-71	-38.8	174.9	-176	0	0	0	0	111.8	N386 M414 Y415 H416	N386-V412 VanDerWaalsContact O-CA 3.27Å; N386-V412 WeakPolarHBondContact O-CA 3.45Å; N386-V412 WeakPolarHBondContact O-CG2 3.46Å; V412-M414 VanDerWaalsContact C-N 3.33Å; V412-M414 PolarHBondContact O-N 3.32Å; V412-Y415 WeakPolarHBondContact O-CB 3.48Å; V412-Y415 PolarHBondContact O-N 3.36Å; V412-Y415 VanDerWaalsContact O-N 3.14Å; V412-H416 PolarHBondContact O-CD2 2.92Å; V412-H416 PolarHBondContact O-N 2.85Å
413	T	97.9	Very high	97.8	Very high	89 Å²	89	48.8 Å²	48.8	55%	0.546	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-43.3	174.4	50	0	0	0	0	111.8	Y415 H416 M417	T413-Y415 VanDerWaalsContact C-N 3.32Å; T413-Y415 PolarHBondContact O-N 3.32Å; T413-H416 PolarHBondContact O-N 3.2Å; T413-M417 WeakPolarHBondContact O-CB 3.28Å; T413-M417 PolarHBondContact O-N 2.97Å
414	M	98.3	Very high	97.8	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.049	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-30.4	176.9	-58.5	-59.8	103.5	0	0	112.1	V388 L390 F403 I405 R411 V412 K418	V388-M414 HydrophobicContact CB-CB 3.86Å; V388-M414 HydrophobicContact CG1-CB 3.77Å; L390-M414 HydrophobicContact CB-CB 4.32Å; L390-M414 HydrophobicContact CB-CG 4.06Å; L390-M414 HydrophobicContact CB-SD 3.96Å; L390-M414 HydrophobicContact CD2-SD 3.49Å; L390-M414 WeakPolarHBondContact CD2-SD 3.38Å; L390-M414 HydrophobicContact CG-SD 4.35Å; F403-M414 HydrophobicContact CD2-CE 3.76Å; F403-M414 HydrophobicContact CD2-SD 3.79Å; F403-M414 HydrophobicContact CE2-CE 3.76Å; F403-M414 HydrophobicContact CE2-SD 3.83Å; F403-M414 HydrophobicContact CG-CE 4.46Å; F403-M414 HydrophobicContact CZ-CE 4.44Å; I405-M414 HydrophobicContact CD1-CE 4.48Å; R411-M414 HydrophobicContact CB-CB 3.99Å; R411-M414 HydrophobicContact CB-CG 3.64Å; R411-M414 HydrophobicContact CG-CG 4.45Å; V412-M414 VanDerWaalsContact C-N 3.33Å; V412-M414 PolarHBondContact O-N 3.32Å; M414-K418 WeakPolarHBondContact O-CB 3.38Å; M414-K418 PolarHBondContact O-N 3.18Å
415	Y	98.5	Very high	97.9	Very high	19 Å²	19	50.6 Å²	50.6	8%	0.075	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-53.9	173	179.4	-89.3	0	0	0	111.3	L88 V382 G384 Y385 V388 R411 V412 T413 M417 K418 A419	L88-Y415 HydrophobicContact CD2-CE2 4.24Å; V382-Y415 HydrophobicContact CG1-CD2 4.2Å; V382-Y415 HydrophobicContact CG1-CE2 4.02Å; G384-Y415 WeakPolarHBondContact O-CE2 3.42Å; Y385-Y415 VanDerWaalsContact O-CE1 3.28Å; Y385-Y415 WeakPolarHBondContact O-CE1 3.34Å; Y385-Y415 PolarHBondContact O-OH 3.18Å; V388-Y415 HydrophobicContact CG2-CD2 4.09Å; R411-Y415 PolarHBondContact O-N 3.38Å; R411-Y415 VanDerWaalsContact O-N 3.17Å; V412-Y415 WeakPolarHBondContact O-CB 3.48Å; V412-Y415 PolarHBondContact O-N 3.36Å; V412-Y415 VanDerWaalsContact O-N 3.14Å; T413-Y415 VanDerWaalsContact C-N 3.32Å; T413-Y415 PolarHBondContact O-N 3.32Å; Y415-M417 VanDerWaalsContact C-N 3.29Å; Y415-M417 PolarHBondContact O-N 3.1Å; Y415-K418 CarbonylContact O-C 3.5Å; Y415-K418 PolarHBondContact O-N 2.65Å; Y415-A419 HydrophobicContact CD1-CB 4.19Å; Y415-A419 HydrophobicContact CE1-CB 3.81Å; Y415-A419 WeakPolarHBondContact O-CB 3.38Å; Y415-A419 PolarHBondContact O-N 3.32Å
416	H	98.1	Very high	98	Very high	90 Å²	90	47.8 Å²	47.8	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-62.6	-35.8	177.4	-73.8	-64.1	0	0	0	112.5	V412 T413 K418 A419 D420 I421	V412-H416 PolarHBondContact O-CD2 2.92Å; V412-H416 PolarHBondContact O-N 2.85Å; T413-H416 PolarHBondContact O-N 3.2Å; H416-K418 PolarHBondContact O-N 2.88Å; H416-A419 PolarHBondContact O-N 3.26Å; H416-D420 IonicContact CE1-OD2 2.86Å; H416-D420 IonicContact CG-OD2 2.71Å; H416-D420 IonicContact ND1-OD2 3.2Å; H416-D420 PolarHBondContact ND1-OD2 2.97Å; H416-D420 WeakPolarHBondContact O-CB 3.47Å; H416-D420 PolarHBondContact O-N 3.2Å; H416-I421 PolarHBondContact O-N 3.08Å
417	M	98	Very high	98.1	Very high	27 Å²	27	46.2 Å²	46.2	13%	0.133	23%	0.233	C	C	.	.	I	π-helix	trans	-56	-50.4	170.5	-167.6	-164.7	70.7	0	0	111.1	L390 F403 T413 Y415 I421 M422	L390-M417 HydrophobicContact CD1-CE 3.87Å; L390-M417 HydrophobicContact CD2-CE 3.63Å; L390-M417 HydrophobicContact CG-CE 4.41Å; F403-M417 HydrophobicContact CE2-SD 3.74Å; F403-M417 HydrophobicContact CZ-SD 3.89Å; T413-M417 WeakPolarHBondContact O-CB 3.28Å; T413-M417 PolarHBondContact O-N 2.97Å; Y415-M417 VanDerWaalsContact C-N 3.29Å; Y415-M417 PolarHBondContact O-N 3.1Å; M417-I421 PolarHBondContact O-N 3.45Å; M417-M422 HydrophobicContact CE-CE 4.39Å; M417-M422 HydrophobicContact CG-CE 3.87Å; M417-M422 HydrophobicContact CG-CG 4.38Å; M417-M422 WeakPolarHBondContact O-CB 3.32Å; M417-M422 WeakPolarHBondContact O-CG 3.3Å; M417-M422 PolarHBondContact O-N 2.71Å; M417-M422 HydrophobicContact SD-CE 4.01Å
418	K	97.8	Very high	98.1	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.03	25%	0.252	C	S	.	.	I	π-helix	trans	-70.6	-33.8	179.3	176.5	-91.3	163.5	-76.3	0	114.1	P84 L88 P380 V382 V388 M414 Y415 H416	P84-K418 PolarHBondContact O-NZ 2.91Å; L88-K418 HydrophobicContact CD1-CD 4.09Å; P380-K418 HydrophobicContact CB-CB 4.01Å; P380-K418 HydrophobicContact CB-CG 3.82Å; P380-K418 HydrophobicContact CG-CB 4.39Å; P380-K418 HydrophobicContact CG-CG 3.82Å; V382-K418 HydrophobicContact CG2-CD 3.66Å; V382-K418 HydrophobicContact CG2-CG 4.47Å; V388-K418 HydrophobicContact CG2-CB 4.3Å; M414-K418 WeakPolarHBondContact O-CB 3.38Å; M414-K418 PolarHBondContact O-N 3.18Å; Y415-K418 CarbonylContact O-C 3.5Å; Y415-K418 PolarHBondContact O-N 2.65Å; H416-K418 PolarHBondContact O-N 2.88Å
419	A	96.5	Very high	98.1	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	25%	0.254	C	S	.	.	I	π-helix	trans	-88.9	-31.8	-169.4	0	0	0	0	0	113	L88 K94 Y415 H416 P423	L88-A419 HydrophobicContact CD1-CB 3.88Å; K94-A419 VanDerWaalsContact CE-O 3.28Å; K94-A419 WeakPolarHBondContact CE-O 3.45Å; K94-A419 PolarHBondContact NZ-O 3.36Å; Y415-A419 HydrophobicContact CD1-CB 4.19Å; Y415-A419 HydrophobicContact CE1-CB 3.81Å; Y415-A419 WeakPolarHBondContact O-CB 3.38Å; Y415-A419 PolarHBondContact O-N 3.32Å; H416-A419 PolarHBondContact O-N 3.26Å; A419-P423 WeakPolarHBondContact O-CG 3.19Å
420	D	96.3	Very high	98.1	Very high	58 Å²	58	43.9 Å²	43.9	31%	0.31	23%	0.228	S	C	.	.	I	π-helix	trans	-127.8	-46	-166.2	-50.4	-52.8	0	0	0	112.1	K94 H416 L424	K94-D420 IonicContact NZ-OD1 2.64Å; K94-D420 PolarHBondContact NZ-OD1 3Å; H416-D420 IonicContact CE1-OD2 2.86Å; H416-D420 IonicContact CG-OD2 2.71Å; H416-D420 IonicContact ND1-OD2 3.2Å; H416-D420 PolarHBondContact ND1-OD2 2.97Å; H416-D420 WeakPolarHBondContact O-CB 3.47Å; H416-D420 PolarHBondContact O-N 3.2Å; D420-L424 WeakPolarHBondContact O-CG 3.25Å
421	I	97.8	Very high	98.1	Very high	96 Å²	96	42 Å²	42	49%	0.492	22%	0.22	S	C	.	.	I	π-helix	trans	-77.7	-48.3	-178.3	-53.2	-180	0	0	0	112.1	H416 M417 L424 L425	H416-I421 PolarHBondContact O-N 3.08Å; M417-I421 PolarHBondContact O-N 3.45Å; I421-L424 WeakPolarHBondContact O-CB 3.2Å; I421-L424 PolarHBondContact O-N 3.08Å; I421-L425 PolarHBondContact O-N 3.05Å
422	M	97.9	Very high	98.1	Very high	51 Å²	51	43.8 Å²	43.8	25%	0.251	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-37.6	-177.4	-74.2	-67.1	128	0	0	114.5	Y82 M417 L425 Y426	Y82-M422 WeakPolarHBondContact OH-CB 3.18Å; M417-M422 HydrophobicContact CE-CE 4.39Å; M417-M422 HydrophobicContact CG-CE 3.87Å; M417-M422 HydrophobicContact CG-CG 4.38Å; M417-M422 WeakPolarHBondContact O-CB 3.32Å; M417-M422 WeakPolarHBondContact O-CG 3.3Å; M417-M422 PolarHBondContact O-N 2.71Å; M417-M422 HydrophobicContact SD-CE 4.01Å; M422-L425 HydrophobicContact CE-CD2 3.57Å; M422-L425 PolarHBondContact O-N 3.03Å; M422-L425 HydrophobicContact SD-CD2 3.91Å; M422-Y426 VanDerWaalsContact O-CB 3.22Å; M422-Y426 WeakPolarHBondContact O-CB 3.44Å; M422-Y426 PolarHBondContact O-N 2.89Å
423	P	98.1	Very high	98.1	Very high	17 Å²	17	40.4 Å²	40.4	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-57.8	-43.9	168.8	-20.5	27.7	0	0	0	113.1	Y82 L85 A419 Y426 W427	Y82-P423 HydrophobicContact CD1-CB 4.2Å; Y82-P423 HydrophobicContact CD1-CG 4.39Å; Y82-P423 HydrophobicContact CE1-CB 4.01Å; Y82-P423 HydrophobicContact CE1-CG 3.81Å; L85-P423 HydrophobicContact CD1-CG 4.14Å; A419-P423 WeakPolarHBondContact O-CG 3.19Å; P423-Y426 PolarHBondContact O-N 2.76Å; P423-W427 PolarHBondContact O-N 2.86Å; P423-W427 VanDerWaalsContact O-N 3.15Å
424	L	97.9	Very high	98.1	Very high	111 Å²	111	43.8 Å²	43.8	58%	0.581	21%	0.212	S	C	*	.	H	α-helix	trans	-66.8	-44	179.7	-65.5	172.6	0	0	0	111.3	D420 I421 Y426 N428	D420-L424 WeakPolarHBondContact O-CG 3.25Å; I421-L424 WeakPolarHBondContact O-CB 3.2Å; I421-L424 PolarHBondContact O-N 3.08Å; L424-Y426 VanDerWaalsContact C-N 3.34Å; L424-N428 VanDerWaalsContact O-CB 3.25Å; L424-N428 WeakPolarHBondContact O-CB 3.21Å; L424-N428 PolarHBondContact O-N 3.04Å; L424-N428 PolarHBondContact O-ND2 2.83Å
425	L	98.3	Very high	98.1	Very high	40 Å²	40	45.5 Å²	45.5	21%	0.209	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-39.5	175.9	-171.9	70.3	0	0	0	111.9	I421 M422 A429 L430 W435	I421-L425 PolarHBondContact O-N 3.05Å; M422-L425 HydrophobicContact CE-CD2 3.57Å; M422-L425 PolarHBondContact O-N 3.03Å; M422-L425 HydrophobicContact SD-CD2 3.91Å; L425-A429 HydrophobicContact CD1-CB 3.79Å; L425-A429 HydrophobicContact CG-CB 4.44Å; L425-A429 WeakPolarHBondContact O-CA 3.5Å; L425-A429 WeakPolarHBondContact O-CB 3.34Å; L425-A429 PolarHBondContact O-N 3.45Å; L425-L430 PolarHBondContact O-N 3.19Å; L425-W435 HydrophobicContact CD1-CD2 4.36Å; L425-W435 HydrophobicContact CD1-CE3 4.09Å; L425-W435 HydrophobicContact CD2-CD2 3.85Å; L425-W435 HydrophobicContact CD2-CE3 4.11Å; L425-W435 HydrophobicContact CD2-CG 4.31Å; L425-W435 HydrophobicContact CD2-CH2 4.27Å; L425-W435 HydrophobicContact CD2-CZ2 4.01Å; L425-W435 HydrophobicContact CD2-CZ3 4.3Å; L425-W435 HydrophobicContact CG-CD2 4.28Å; L425-W435 HydrophobicContact CG-CE3 4.48Å; L425-W435 HydrophobicContact CG-CG 4.4Å
426	Y	98.8	Very high	98.1	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.027	23%	0.229	C	C	.	.	I	π-helix	trans	-59.4	-59.2	177	-179.3	-91.4	0	0	0	111.5	T53 H80 Y82 M422 P423 L424 N428 L430 L431	T53-Y426 HydrophobicContact CG2-CE2 3.56Å; T53-Y426 PolarHBondContact OG1-OH 2.69Å; T53-Y426 VanDerWaalsContact OG1-OH 3.05Å; H80-Y426 AromaticContact NE2-CE1 3.68Å; H80-Y426 AromaticContact NE2-CZ 3.61Å; H80-Y426 PolarHBondContact NE2-OH 3.29Å; Y82-Y426 AromaticContact CD2-CD1 3.54Å; Y82-Y426 HydrophobicContact CD2-CD1 3.54Å; Y82-Y426 AromaticContact CD2-CD2 3.31Å; Y82-Y426 HydrophobicContact CD2-CD2 3.31Å; Y82-Y426 AromaticContact CD2-CE1 3.82Å; Y82-Y426 HydrophobicContact CD2-CE1 3.82Å; Y82-Y426 AromaticContact CD2-CE2 3.57Å; Y82-Y426 HydrophobicContact CD2-CE2 3.57Å; Y82-Y426 AromaticContact CD2-CG 3.28Å; Y82-Y426 HydrophobicContact CD2-CG 3.28Å; Y82-Y426 AromaticContact CD2-CZ 3.83Å; Y82-Y426 HydrophobicContact CE2-CD1 4.34Å; Y82-Y426 AromaticContact CE2-CD2 3.5Å; Y82-Y426 HydrophobicContact CE2-CD2 3.5Å; Y82-Y426 VanDerWaalsContact CE2-CD2 3.5Å; Y82-Y426 HydrophobicContact CE2-CE2 4.08Å; Y82-Y426 AromaticContact CE2-CG 3.64Å; Y82-Y426 HydrophobicContact CE2-CG 3.64Å; Y82-Y426 AromaticContact CG-CD1 3.95Å; Y82-Y426 HydrophobicContact CG-CD1 3.95Å; Y82-Y426 HydrophobicContact CG-CD2 4.46Å; Y82-Y426 HydrophobicContact CG-CE1 4.23Å; Y82-Y426 HydrophobicContact CG-CG 4.09Å; M422-Y426 VanDerWaalsContact O-CB 3.22Å; M422-Y426 WeakPolarHBondContact O-CB 3.44Å; M422-Y426 PolarHBondContact O-N 2.89Å; P423-Y426 PolarHBondContact O-N 2.76Å; L424-Y426 VanDerWaalsContact C-N 3.34Å; Y426-N428 PolarHBondContact O-N 3.27Å; Y426-L430 HydrophobicContact CD2-CD2 3.88Å; Y426-L430 HydrophobicContact CE2-CD2 4.22Å; Y426-L430 PolarHBondContact O-N 2.79Å; Y426-L431 HydrophobicContact CD1-CD1 4.36Å; Y426-L431 HydrophobicContact CD1-CG 4.27Å; Y426-L431 HydrophobicContact CE1-CD1 3.82Å; Y426-L431 HydrophobicContact CE1-CD2 4.05Å; Y426-L431 HydrophobicContact CE1-CG 3.96Å; Y426-L431 HydrophobicContact CE2-CD2 4.39Å; Y426-L431 PolarHBondContact O-N 3.38Å
427	W	98.7	Very high	98	Very high	18 Å²	18	41.8 Å²	41.8	7%	0.068	21%	0.21	C	C	.	.	I	π-helix	trans	-67.6	-36.1	-176.7	-63.3	123.7	0	0	0	113.1	H80 S99 R101 V106 P423 L431	H80-W427 AromaticContact CD2-CH2 3.86Å; H80-W427 AromaticContact CD2-CZ3 3.54Å; S99-W427 WeakPolarHBondContact O-CZ2 3.47Å; R101-W427 HydrophobicContact CB-CH2 4.02Å; R101-W427 HydrophobicContact CB-CZ3 4.03Å; R101-W427 HydrophobicContact CG-CD2 4.38Å; R101-W427 HydrophobicContact CG-CE3 4.15Å; R101-W427 HydrophobicContact CG-CH2 3.74Å; R101-W427 HydrophobicContact CG-CZ2 3.97Å; R101-W427 HydrophobicContact CG-CZ3 3.83Å; V106-W427 HydrophobicContact CG1-CE3 4.01Å; V106-W427 HydrophobicContact CG1-CZ3 3.89Å; P423-W427 PolarHBondContact O-N 2.86Å; P423-W427 VanDerWaalsContact O-N 3.15Å; W427-L431 HydrophobicContact CE3-CD1 3.61Å; W427-L431 HydrophobicContact CZ3-CD1 3.79Å
428	N	98.4	Very high	98	Very high	73 Å²	73	41 Å²	41	39%	0.39	21%	0.207	S	C	.	.	I	π-helix	trans	-100.7	-20.1	-169.7	-63.8	-63.2	0	0	0	115.3	L424 Y426 K432	L424-N428 VanDerWaalsContact O-CB 3.25Å; L424-N428 WeakPolarHBondContact O-CB 3.21Å; L424-N428 PolarHBondContact O-N 3.04Å; L424-N428 PolarHBondContact O-ND2 2.83Å; Y426-N428 PolarHBondContact O-N 3.27Å; N428-K432 VanDerWaalsContact O-CD 3.23Å; N428-K432 WeakPolarHBondContact O-CD 3.35Å; N428-K432 WeakPolarHBondContact O-CE 3.49Å
429	A	98.5	Very high	98	Very high	20 Å²	20	42.3 Å²	42.3	17%	0.165	22%	0.22	C	C	.	.	I	π-helix	trans	-123.1	-46.4	179.3	0	0	0	0	0	113.3	L425 G433 Y434 W435	L425-A429 HydrophobicContact CD1-CB 3.79Å; L425-A429 HydrophobicContact CG-CB 4.44Å; L425-A429 WeakPolarHBondContact O-CA 3.5Å; L425-A429 WeakPolarHBondContact O-CB 3.34Å; L425-A429 PolarHBondContact O-N 3.45Å; A429-G433 PolarHBondContact O-N 2.96Å; A429-Y434 WeakPolarHBondContact O-CA 3.41Å; A429-Y434 PolarHBondContact O-N 3.33Å; A429-W435 HydrophobicContact CB-CB 4.15Å; A429-W435 PolarHBondContact O-N 3.21Å; A429-W435 VanDerWaalsContact O-N 3.16Å
430	L	98.7	Very high	97.9	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.245	C	C	.	.	I	π-helix	trans	-68	-55.7	-177.2	-178.1	56	0	0	0	112.1	T53 T57 A350 L425 Y426 K432 G433 W435	T53-L430 HydrophobicContact CG2-CD2 3.85Å; T57-L430 HydrophobicContact CG2-CD1 3.7Å; T57-L430 HydrophobicContact CG2-CG 4.5Å; T57-L430 WeakPolarHBondContact CG2-O 3.28Å; T57-L430 PolarHBondContact OG1-O 2.69Å; A350-L430 HydrophobicContact CB-CD1 3.8Å; A350-L430 HydrophobicContact CB-CD2 4.25Å; L425-L430 PolarHBondContact O-N 3.19Å; Y426-L430 HydrophobicContact CD2-CD2 3.88Å; Y426-L430 HydrophobicContact CE2-CD2 4.22Å; Y426-L430 PolarHBondContact O-N 2.79Å; L430-K432 PolarHBondContact O-N 3.46Å; L430-K432 VanDerWaalsContact O-N 3.16Å; L430-G433 WeakPolarHBondContact O-CA 3.45Å; L430-G433 PolarHBondContact O-N 2.95Å; L430-W435 HydrophobicContact CB-CB 3.98Å; L430-W435 HydrophobicContact CD1-CB 4.17Å
431	L	98.8	Very high	97.8	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.5	179.3	-62.2	-164.7	0	0	0	113.2	I56 A60 V106 Y426 W427 G433	I56-L431 HydrophobicContact CB-CD2 4.2Å; I56-L431 HydrophobicContact CG2-CB 3.83Å; I56-L431 HydrophobicContact CG2-CD1 4.32Å; I56-L431 HydrophobicContact CG2-CD2 4.06Å; I56-L431 HydrophobicContact CG2-CG 4.28Å; A60-L431 VanDerWaalsContact CB-O 3.29Å; A60-L431 WeakPolarHBondContact CB-O 3.43Å; V106-L431 HydrophobicContact CB-CD1 3.91Å; V106-L431 HydrophobicContact CG1-CD1 3.96Å; V106-L431 HydrophobicContact CG2-CD1 4.42Å; Y426-L431 HydrophobicContact CD1-CD1 4.36Å; Y426-L431 HydrophobicContact CD1-CG 4.27Å; Y426-L431 HydrophobicContact CE1-CD1 3.82Å; Y426-L431 HydrophobicContact CE1-CD2 4.05Å; Y426-L431 HydrophobicContact CE1-CG 3.96Å; Y426-L431 HydrophobicContact CE2-CD2 4.39Å; Y426-L431 PolarHBondContact O-N 3.38Å; W427-L431 HydrophobicContact CE3-CD1 3.61Å; W427-L431 HydrophobicContact CZ3-CD1 3.79Å; L431-G433 VanDerWaalsContact C-N 3.25Å; L431-G433 PolarHBondContact O-N 2.86Å
432	K	98.6	Very high	97.8	Very high	101 Å²	101	45.5 Å²	45.5	44%	0.439	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.9	171.9	-56.3	-169.6	-162.8	158.1	0	113.3	R64 N428 L430 Y434	R64-K432 PolarHBondContact NH1-O 3.29Å; N428-K432 VanDerWaalsContact O-CD 3.23Å; N428-K432 WeakPolarHBondContact O-CD 3.35Å; N428-K432 WeakPolarHBondContact O-CE 3.49Å; L430-K432 PolarHBondContact O-N 3.46Å; L430-K432 VanDerWaalsContact O-N 3.16Å; K432-Y434 VanDerWaalsContact C-N 3.34Å; K432-Y434 HydrophobicContact CB-CD2 3.54Å; K432-Y434 HydrophobicContact CB-CE2 3.66Å; K432-Y434 HydrophobicContact CD-CE2 4.5Å; K432-Y434 PolarHBondContact O-N 3.44Å
433	G	98.1	Very high	97.6	Very high	1 Å²	1	51 Å²	51	1%	0.01	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	21.4	177.1	0	0	0	0	0	114.8	R61 R64 A429 L430 L431	R61-G433 PolarHBondContact NH1-O 3.03Å; R61-G433 PolarHBondContact NH2-O 3.29Å; R64-G433 PolarHBondContact NH2-O 3.4Å; A429-G433 PolarHBondContact O-N 2.96Å; L430-G433 WeakPolarHBondContact O-CA 3.45Å; L430-G433 PolarHBondContact O-N 2.95Å; L431-G433 VanDerWaalsContact C-N 3.25Å; L431-G433 PolarHBondContact O-N 2.86Å
434	Y	98.4	Very high	97.4	Very high	160 Å²	160	55.3 Å²	55.3	63%	0.627	28%	0.279	S	S	*	.			trans	-99.8	-24	179	-61.2	-60.5	0	0	0	113.3	A429 K432	A429-Y434 WeakPolarHBondContact O-CA 3.41Å; A429-Y434 PolarHBondContact O-N 3.33Å; K432-Y434 VanDerWaalsContact C-N 3.34Å; K432-Y434 HydrophobicContact CB-CD2 3.54Å; K432-Y434 HydrophobicContact CB-CE2 3.66Å; K432-Y434 HydrophobicContact CD-CE2 4.5Å; K432-Y434 PolarHBondContact O-N 3.44Å
435	W	98.4	Very high	97.1	Very high	46 Å²	46	54.1 Å²	54.1	17%	0.174	27%	0.271	C	S	.	.			trans	-85.9	132.4	172.8	-173	-120.5	0	0	0	111.3	R61 A350 L425 A429 L430 P438 F441	R61-W435 PolarHBondContact NH2-O 3.14Å; A350-W435 VanDerWaalsContact CB-CD1 3.44Å; L425-W435 HydrophobicContact CD1-CD2 4.36Å; L425-W435 HydrophobicContact CD1-CE3 4.09Å; L425-W435 HydrophobicContact CD2-CD2 3.85Å; L425-W435 HydrophobicContact CD2-CE3 4.11Å; L425-W435 HydrophobicContact CD2-CG 4.31Å; L425-W435 HydrophobicContact CD2-CH2 4.27Å; L425-W435 HydrophobicContact CD2-CZ2 4.01Å; L425-W435 HydrophobicContact CD2-CZ3 4.3Å; L425-W435 HydrophobicContact CG-CD2 4.28Å; L425-W435 HydrophobicContact CG-CE3 4.48Å; L425-W435 HydrophobicContact CG-CG 4.4Å; A429-W435 HydrophobicContact CB-CB 4.15Å; A429-W435 PolarHBondContact O-N 3.21Å; A429-W435 VanDerWaalsContact O-N 3.16Å; L430-W435 HydrophobicContact CB-CB 3.98Å; L430-W435 HydrophobicContact CD1-CB 4.17Å; W435-P438 HydrophobicContact CH2-CB 4.05Å; W435-P438 HydrophobicContact CZ2-CB 3.96Å; W435-F441 HydrophobicContact CH2-CD2 4.02Å; W435-F441 HydrophobicContact CH2-CE2 4.01Å; W435-F441 HydrophobicContact CZ3-CD2 4.04Å; W435-F441 AromaticContact CZ3-CE2 3.55Å; W435-F441 HydrophobicContact CZ3-CE2 3.55Å; W435-F441 HydrophobicContact CZ3-CZ 4.3Å
436	G	97.3	Very high	96.8	Very high	28 Å²	28	55.7 Å²	55.7	29%	0.289	28%	0.277	S	S	.	.			trans	-130.4	27.2	-175	0	0	0	0	0	113.9	A350	A350-G436 CarbonylContact O-C 3.52Å; A350-G436 WeakPolarHBondContact O-CA 3.43Å
437	G	96.8	Very high	95.9	Very high	3 Å²	3	62 Å²	62	3%	0.031	31%	0.311	C	S	.	.			trans	79.4	164	-167.5	0	0	0	0	0	112.9	A439	G437-A439 VanDerWaalsContact C-N 3.33Å; G437-A439 PolarHBondContact O-N 3.43Å
438	P	97.8	Very high	94.4	Very high	11 Å²	11	65 Å²	65	7%	0.071	35%	0.347	C	S	.	.	S	Bend	trans	-84.6	2.6	-171.7	35	-36.7	0	0	0	114.6	Y376 T402 W435 P440 F441 R442	Y376-P438 HydrophobicContact CE1-CG 4.17Å; Y376-P438 HydrophobicContact CE2-CG 4.05Å; Y376-P438 WeakPolarHBondContact OH-CD 3.23Å; Y376-P438 VanDerWaalsContact OH-CG 3.28Å; Y376-P438 WeakPolarHBondContact OH-CG 3.2Å; T402-P438 HydrophobicContact CG2-CB 3.87Å; T402-P438 WeakPolarHBondContact OG1-CB 3.44Å; T402-P438 WeakPolarHBondContact OG1-CG 3.31Å; W435-P438 HydrophobicContact CH2-CB 4.05Å; W435-P438 HydrophobicContact CZ2-CB 3.96Å; P438-P440 VanDerWaalsContact C-N 3.29Å; P438-P440 VanDerWaalsContact O-N 3.07Å; P438-F441 CarbonylContact O-C 3.06Å; P438-F441 WeakPolarHBondContact O-CA 3.5Å; P438-F441 WeakPolarHBondContact O-CB 3.38Å; P438-F441 PolarHBondContact O-N 2.64Å; P438-R442 PolarHBondContact O-N 2.68Å
439	A	97.2	Very high	92.6	Very high	35 Å²	35	66.8 Å²	66.8	29%	0.289	36%	0.356	S	S	.	.	H	α-helix	trans	-49.8	-35.3	-176.5	0	0	0	0	0	115.6	G437 K443	G437-A439 VanDerWaalsContact C-N 3.33Å; G437-A439 PolarHBondContact O-N 3.43Å; A439-K443 WeakPolarHBondContact O-CG 3.46Å; A439-K443 PolarHBondContact O-N 3.04Å; A439-K443 VanDerWaalsContact O-N 3.08Å
440	P	95.4	Very high	90	Very high	86 Å²	86	79.1 Å²	79.1	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-65.1	-39	171.4	-21.7	34.7	0	0	0	113.4	P438 K443 L444	P438-P440 VanDerWaalsContact C-N 3.29Å; P438-P440 VanDerWaalsContact O-N 3.07Å; P440-K443 PolarHBondContact O-N 3.08Å; P440-L444 WeakPolarHBondContact O-CB 3.45Å; P440-L444 PolarHBondContact O-N 2.74Å
441	F	94.9	Very high	89.6	Confident	107 Å²	107	82.9 Å²	82.9	47%	0.469	43%	0.425	S	S	.	.	H	α-helix	trans	-69.1	-43.5	175.9	-66.1	-97	0	0	0	110.8	T402 W435 P438 K443 L444 M445	T402-F441 HydrophobicContact CG2-CB 4.29Å; W435-F441 HydrophobicContact CH2-CD2 4.02Å; W435-F441 HydrophobicContact CH2-CE2 4.01Å; W435-F441 HydrophobicContact CZ3-CD2 4.04Å; W435-F441 AromaticContact CZ3-CE2 3.55Å; W435-F441 HydrophobicContact CZ3-CE2 3.55Å; W435-F441 HydrophobicContact CZ3-CZ 4.3Å; P438-F441 CarbonylContact O-C 3.06Å; P438-F441 WeakPolarHBondContact O-CA 3.5Å; P438-F441 WeakPolarHBondContact O-CB 3.38Å; P438-F441 PolarHBondContact O-N 2.64Å; F441-K443 VanDerWaalsContact C-N 3.29Å; F441-K443 PolarHBondContact O-N 2.83Å; F441-L444 PolarHBondContact O-N 2.79Å; F441-M445 WeakPolarHBondContact O-CB 3.08Å; F441-M445 VanDerWaalsContact O-CG 3.24Å; F441-M445 WeakPolarHBondContact O-CG 3.46Å; F441-M445 PolarHBondContact O-N 3.02Å
442	R	96.4	Very high	89.1	Confident	30 Å²	30	86.9 Å²	86.9	11%	0.113	45%	0.446	C	S	.	.	H	α-helix	trans	-54.8	-45.5	173.6	-176	165.3	61.5	-131	0.4	111.3	D374 Y376 L400 E401 T402 P438 H446	D374-R442 IonicContact OD2-NH2 2.69Å; Y376-R442 VanDerWaalsContact CD2-NH1 3.35Å; L400-R442 VanDerWaalsContact CD2-NH2 3.33Å; L400-R442 VanDerWaalsContact CG-CZ 3.49Å; L400-R442 WeakPolarHBondContact O-CD 3.4Å; L400-R442 PolarHBondContact O-NH1 2.9Å; E401-R442 WeakPolarHBondContact O-CD 3.3Å; E401-R442 WeakPolarHBondContact O-CG 3.05Å; T402-R442 HydrophobicContact CG2-CB 4.5Å; P438-R442 PolarHBondContact O-N 2.68Å; R442-H446 PolarHBondContact O-N 3.22Å; R442-H446 PolarHBondContact O-ND1 3.08Å
443	K	94.3	Very high	88.5	Confident	166 Å²	166	86.1 Å²	86.1	72%	0.722	45%	0.446	S	S	*	.	H	α-helix	trans	-61.9	-52.1	173.8	-72.6	-171.2	177.1	-163.9	0	112.1	A439 P440 F441 M445 H446 L447	A439-K443 WeakPolarHBondContact O-CG 3.46Å; A439-K443 PolarHBondContact O-N 3.04Å; A439-K443 VanDerWaalsContact O-N 3.08Å; P440-K443 PolarHBondContact O-N 3.08Å; F441-K443 VanDerWaalsContact C-N 3.29Å; F441-K443 PolarHBondContact O-N 2.83Å; K443-M445 PolarHBondContact O-N 3.35Å; K443-H446 PolarHBondContact O-N 2.66Å; K443-L447 PolarHBondContact O-N 2.86Å
444	L	94.4	Very high	88	Confident	108 Å²	108	91.1 Å²	91.1	57%	0.565	47%	0.472	S	S	*	.	H	α-helix	trans	-56.9	-46.1	-179	176.9	61.1	0	0	0	112.7	P440 F441 H446 L447	P440-L444 WeakPolarHBondContact O-CB 3.45Å; P440-L444 PolarHBondContact O-N 2.74Å; F441-L444 PolarHBondContact O-N 2.79Å; L444-H446 PolarHBondContact O-N 2.76Å; L444-L447 HydrophobicContact CD1-CD1 4.23Å; L444-L447 WeakPolarHBondContact O-CB 3.48Å; L444-L447 PolarHBondContact O-N 3.18Å
445	M	91.6	Very high	87.3	Confident	85 Å²	85	86.8 Å²	86.8	42%	0.419	46%	0.462	S	S	.	.	H	α-helix	trans	-72.9	-11.7	-176.3	-66.1	-61.9	-58.4	0	0	114.3	P404 F441 K443	P404-M445 HydrophobicContact CG-CB 4.49Å; P404-M445 HydrophobicContact CG-CE 4.1Å; F441-M445 WeakPolarHBondContact O-CB 3.08Å; F441-M445 VanDerWaalsContact O-CG 3.24Å; F441-M445 WeakPolarHBondContact O-CG 3.46Å; F441-M445 PolarHBondContact O-N 3.02Å; K443-M445 PolarHBondContact O-N 3.35Å
446	H	90.6	Very high	86.6	Confident	73 Å²	73	89.5 Å²	89.5	34%	0.338	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	1.1	174.2	-66.5	82.5	0	0	0	112.7	R442 K443 L444 G448 L449	R442-H446 PolarHBondContact O-N 3.22Å; R442-H446 PolarHBondContact O-ND1 3.08Å; K443-H446 PolarHBondContact O-N 2.66Å; L444-H446 PolarHBondContact O-N 2.76Å; H446-G448 PolarHBondContact O-N 3.37Å; H446-G448 VanDerWaalsContact O-N 3.1Å; H446-L449 PolarHBondContact O-N 2.74Å
447	L	80.8	Confident	85.8	Confident	141 Å²	141	93.9 Å²	93.9	74%	0.738	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	109.2	169.3	-68.5	177.9	0	0	0	109.6	K443 L444	K443-L447 PolarHBondContact O-N 2.86Å; L444-L447 HydrophobicContact CD1-CD1 4.23Å; L444-L447 WeakPolarHBondContact O-CB 3.48Å; L444-L447 PolarHBondContact O-N 3.18Å
448	G	66.4	Low	85	Confident	79 Å²	79	100.9 Å²	100.9	81%	0.814	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.8	-11.1	-177.8	0	0	0	0	0	114.2	H446	H446-G448 PolarHBondContact O-N 3.37Å; H446-G448 VanDerWaalsContact O-N 3.1Å
449	L	60.8	Low	83.9	Confident	112 Å²	112	108.4 Å²	108.4	59%	0.586	57%	0.569	S	S	*	*			trans	-91.3	106.5	168.9	-61.6	174.1	0	0	0	108.5	P404 H446	P404-L449 HydrophobicContact CB-CD1 3.42Å; P404-L449 VanDerWaalsContact CB-CD1 3.42Å; H446-L449 PolarHBondContact O-N 2.74Å
450	K	44.2	Very low	82.7	Confident	279 Å²	279	115.1 Å²	115.1	100%	1.213	59%	0.594	S	S	*	*			trans	-102.2	0	169.6	-79.1	-171.9	172.5	-175.3	0	109.8

Retrieved 450 of 450 residues in 947.6 ms (Link to these results)

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