A0A096NM01_PAPAN 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 A0A096NM01, Species PAPAN (Papio anubis, Olive baboon), Gene SQOR, 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	36.2	Very low	36.1	Very low	246 Å²	246	128.8 Å²	128.8	100%	1.212	81%	0.807	S	S	*	*				0	152.3	0	-63.6	178	-179.8	0	0	108.1
2	V	40.8	Very low	35.9	Very low	125 Å²	125	138.5 Å²	138.5	76%	0.758	82%	0.817	S	S	*	*			trans	-140.3	134.4	-180	-174.9	0	0	0	0	108.9	L4	V2-L4 HydrophobicContact CG1-CD1 3.87Å
3	P	49	Very low	35.7	Very low	114 Å²	114	134.2 Å²	134.2	74%	0.74	81%	0.806	S	S	*	*				-137.4	164.8	128.1	39.8	-28.2	0	0	0	111.3
4	L	35	Very low	35.7	Very low	145 Å²	145	136.6 Å²	136.6	76%	0.759	81%	0.805	S	S	*	*			cis	81.6	128.1	20.6	-84.4	70.7	0	0	0	115.9	V2	V2-L4 HydrophobicContact CG1-CD1 3.87Å
5	V	33.9	Very low	35.5	Very low	131 Å²	131	136 Å²	136	79%	0.794	80%	0.796	S	S	*	*			cis	-120.4	-135.9	-10.9	-146.1	0	0	0	0	108.8	V7	V5-V7 HydrophobicContact CG1-CG2 4.35Å
6	A	31.7	Very low	35.1	Very low	85 Å²	85	139.8 Å²	139.8	70%	0.702	80%	0.8	S	S	*	*			cis	-148.5	135.1	-1.6	0	0	0	0	0	107.3
7	V	33.3	Very low	34.8	Very low	129 Å²	129	137.3 Å²	137.3	78%	0.782	80%	0.8	S	S	*	*				58.3	112.2	81.4	-175.7	0	0	0	0	116	V5	V5-V7 HydrophobicContact CG1-CG2 4.35Å
8	V	29.6	Very low	34.6	Very low	140 Å²	140	135.6 Å²	135.6	85%	0.848	80%	0.796	S	S	*	*			trans	-141.2	145.2	153	-178.7	0	0	0	0	109.9
9	S	31.1	Very low	34.4	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	80%	0.801	S	S	*	*			trans	-70	174.5	-178.6	52	0	0	0	0	114.7
10	G	30.5	Very low	34.4	Very low	69 Å²	69	137.6 Å²	137.6	71%	0.711	80%	0.798	S	S	*	*			cis	-179.8	-137.3	8.4	0	0	0	0	0	114
11	P	46.4	Very low	34.2	Very low	120 Å²	120	142.8 Å²	142.8	78%	0.779	80%	0.804	S	S	*	*				-133.9	-172.4	-99.4	41.1	-27.3	0	0	0	116.7
12	R	33.5	Very low	34.3	Very low	245 Å²	245	139.1 Å²	139.1	93%	0.925	79%	0.788	S	S	*	*			trans	85.9	154.2	174.9	-61.7	178.9	172.6	-176.4	-2.7	115.1
13	A	33.6	Very low	33.9	Very low	82 Å²	82	136.6 Å²	136.6	68%	0.678	79%	0.787	S	S	*	*			cis	179.1	159.6	-17.2	0	0	0	0	0	106.8
14	Q	35.3	Very low	33.2	Very low	169 Å²	169	137.6 Å²	137.6	79%	0.79	79%	0.792	S	S	*	*			cis	-164.2	153.8	-8.1	-111.8	178.5	-42.5	0	0	110.1
15	L	32.6	Very low	33.3	Very low	127 Å²	127	140 Å²	140	67%	0.665	80%	0.799	S	S	*	*			trans	53.9	125.5	150.4	-83.8	78.8	0	0	0	124.6
16	F	29.9	Very low	33.4	Very low	197 Å²	197	142.6 Å²	142.6	86%	0.864	80%	0.803	S	S	*	*			trans	70.2	157.4	133.2	-75.8	-134.9	0	0	0	118.6
17	A	30.2	Very low	33.8	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	81%	0.809	S	S	*	*			cis	-135.6	-179.4	10.5	0	0	0	0	0	113.9
18	C	30	Very low	34.2	Very low	107 Å²	107	140.2 Å²	140.2	72%	0.723	80%	0.803	S	S	*	*			trans	-92.6	150.3	-174.5	-177.8	0	0	0	0	113.8
19	L	30.9	Very low	34.5	Very low	173 Å²	173	139.4 Å²	139.4	91%	0.906	80%	0.8	S	S	*	*			trans	-152.9	135.4	153.1	-117.5	168.9	0	0	0	111
20	L	33.9	Very low	34.8	Very low	138 Å²	138	141.3 Å²	141.3	72%	0.723	80%	0.801	S	S	*	*			trans	-86	145.4	-177.5	-63.5	97.3	0	0	0	112.7
21	R	32	Very low	35.2	Very low	246 Å²	246	145.7 Å²	145.7	93%	0.928	80%	0.803	S	S	*	*			trans	-136.8	130.9	144.2	-76.3	-166.3	169.4	-171.8	-3	109.6
22	L	37.2	Very low	34.8	Very low	169 Å²	169	146.5 Å²	146.5	89%	0.885	80%	0.8	S	S	*	*			trans	-73.2	132.4	171.5	-71.3	83.1	0	0	0	108.9
23	G	32.4	Very low	35	Very low	72 Å²	72	143.2 Å²	143.2	74%	0.742	80%	0.795	S	S	*	*			trans	-121.2	116.5	168.7	0	0	0	0	0	109.2	Q25	G23-Q25 PolarHBondContact O-N 2.7Å
24	T	34.8	Very low	35.3	Very low	135 Å²	135	145.2 Å²	145.2	83%	0.828	80%	0.799	S	S	*	*			trans	-69.6	118.9	-179.2	47.9	0	0	0	0	110.9	Q26	T24-Q26 PolarHBondContact O-N 3.35Å
25	Q	36.7	Very low	35.4	Very low	195 Å²	195	140.7 Å²	140.7	91%	0.911	80%	0.797	S	S	*	*			trans	-67.9	113.5	166.2	-73.8	-177.9	-28.7	0	0	109.3	G23 A27	G23-Q25 PolarHBondContact O-N 2.7Å; Q25-A27 PolarHBondContact O-N 2.62Å
26	Q	36.4	Very low	35.6	Very low	187 Å²	187	138.6 Å²	138.6	87%	0.874	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.9	121.7	165.1	-74.2	-178.6	-45	0	0	108.8	T24 G28	T24-Q26 PolarHBondContact O-N 3.35Å; Q26-G28 PolarHBondContact O-N 2.81Å
27	A	39.7	Very low	36.1	Very low	100 Å²	100	134.5 Å²	134.5	83%	0.826	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.9	116.7	168.1	0	0	0	0	0	109	Q25	Q25-A27 PolarHBondContact O-N 2.62Å
28	G	41.5	Very low	36.8	Very low	64 Å²	64	137.9 Å²	137.9	66%	0.66	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.6	143.7	170.6	0	0	0	0	0	110.4	Q26 L30	Q26-G28 PolarHBondContact O-N 2.81Å; G28-L30 PolarHBondContact O-N 2.83Å
29	P	36.6	Very low	37.8	Very low	122 Å²	122	136.9 Å²	136.9	79%	0.792	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.4	124.1	-178.7	26	-33.7	0	0	0	110.2	Q31	P29-Q31 PolarHBondContact O-N 3.02Å
30	L	36.8	Very low	39.2	Very low	154 Å²	154	131.4 Å²	131.4	81%	0.806	77%	0.772	S	S	*	*			trans	-62.8	103.9	173.9	-169	79.9	0	0	0	108.5	G28 L32	G28-L30 PolarHBondContact O-N 2.83Å; L30-L32 HydrophobicContact CD2-CG 4.49Å; L30-L32 PolarHBondContact O-N 3.47Å
31	Q	38.6	Very low	41.2	Very low	160 Å²	160	130.7 Å²	130.7	75%	0.748	76%	0.76	S	S	*	*			trans	-69.4	87.4	172.9	-77.3	-168.6	-17.5	0	0	109.3	P29 H33	P29-Q31 PolarHBondContact O-N 3.02Å; Q31-H33 PolarHBondContact O-N 3.49Å
32	L	37.7	Very low	43.8	Very low	138 Å²	138	122.9 Å²	122.9	72%	0.723	74%	0.736	S	S	*	*			trans	-57.8	102.3	160.2	-76.5	165.5	0	0	0	107.4	L30 T34	L30-L32 HydrophobicContact CD2-CG 4.49Å; L30-L32 PolarHBondContact O-N 3.47Å; L32-T34 PolarHBondContact O-N 2.89Å
33	H	38.3	Very low	46.7	Very low	176 Å²	176	119.1 Å²	119.1	82%	0.815	71%	0.714	S	S	*	*			trans	-65.3	84.3	162.2	-72.4	-57.9	0	0	0	108	Q31 G35	Q31-H33 PolarHBondContact O-N 3.49Å; H33-G35 PolarHBondContact O-N 3.17Å
34	T	39.4	Very low	49.9	Very low	124 Å²	124	116 Å²	116	76%	0.761	68%	0.68	S	S	*	*			trans	-60.6	92.8	160.6	51.1	0	0	0	0	106.5	L32 A36	L32-T34 PolarHBondContact O-N 2.89Å; T34-A36 VanDerWaalsContact C-N 3.34Å; T34-A36 PolarHBondContact O-N 3.22Å
35	G	37.4	Very low	52.9	Low	73 Å²	73	111.5 Å²	111.5	75%	0.753	65%	0.649	S	S	*	*			trans	-57.1	102.6	171.4	0	0	0	0	0	107.3	H33 S37	H33-G35 PolarHBondContact O-N 3.17Å; G35-S37 PolarHBondContact O-N 3.49Å
36	A	37.5	Very low	55.9	Low	83 Å²	83	102.2 Å²	102.2	69%	0.686	61%	0.606	S	S	*	*			trans	-64.8	101.1	-179.5	0	0	0	0	0	107.4	T34 H38	T34-A36 VanDerWaalsContact C-N 3.34Å; T34-A36 PolarHBondContact O-N 3.22Å; A36-H38 PolarHBondContact O-N 3.46Å
37	S	40.2	Very low	58.9	Low	111 Å²	111	93.3 Å²	93.3	78%	0.776	56%	0.564	S	S	*	*			trans	-49.2	109.1	162.2	179.1	0	0	0	0	106.8	G35 A39	G35-S37 PolarHBondContact O-N 3.49Å; S37-A39 VanDerWaalsContact C-N 3.31Å; S37-A39 PolarHBondContact O-N 2.62Å
38	H	45.7	Very low	61.7	Low	168 Å²	168	88.6 Å²	88.6	78%	0.778	53%	0.525	S	S	*	.			trans	-63.8	103.3	164.2	-98.6	47	0	0	0	105.3	A36 A40	A36-H38 PolarHBondContact O-N 3.46Å; H38-A40 PolarHBondContact O-N 3.27Å; H38-A40 VanDerWaalsContact O-N 3.07Å
39	A	50.7	Low	64.4	Low	86 Å²	86	85.5 Å²	85.5	71%	0.711	49%	0.494	S	S	*	.			trans	-55.5	118.1	171.9	0	0	0	0	0	107.3	S37 R41	S37-A39 VanDerWaalsContact C-N 3.31Å; S37-A39 PolarHBondContact O-N 2.62Å; A39-R41 PolarHBondContact O-N 2.97Å; A39-R41 VanDerWaalsContact O-N 3.15Å
40	A	60.4	Low	67.4	Low	59 Å²	59	79.9 Å²	79.9	49%	0.488	46%	0.458	S	S	.	.			trans	-52.9	122.9	-173.2	0	0	0	0	0	109.8	H38 N42	H38-A40 PolarHBondContact O-N 3.27Å; H38-A40 VanDerWaalsContact O-N 3.07Å; A40-N42 PolarHBondContact O-N 3.48Å; A40-N42 PolarHBondContact O-OD1 3.1Å; A40-N42 VanDerWaalsContact O-OD1 3.11Å
41	R	75.8	Confident	70.3	Confident	123 Å²	123	72.6 Å²	72.6	46%	0.464	42%	0.42	S	S	.	.			trans	-80.9	87	-174.3	-161.3	-175.4	-168.6	-160.9	-2.6	108.4	A39 H43 Y44 E69 N70	A39-R41 PolarHBondContact O-N 2.97Å; A39-R41 VanDerWaalsContact O-N 3.15Å; R41-H43 PolarHBondContact O-N 3.35Å; R41-Y44 HydrophobicContact CB-CE1 4.31Å; R41-Y44 WeakPolarHBondContact O-CE2 3.38Å; R41-Y44 PolarHBondContact O-OH 3.32Å; R41-E69 PolarHBondContact NH1-O 2.79Å; R41-N70 PolarHBondContact NH1-OD1 2.93Å; R41-N70 PolarHBondContact NH2-OD1 2.7Å
42	N	86.8	Confident	73.2	Confident	82 Å²	82	66.2 Å²	66.2	44%	0.439	40%	0.397	S	S	.	.			trans	-69.8	18.4	-175.1	-62.9	-2.3	0	0	0	114.5	A40 S137	A40-N42 PolarHBondContact O-N 3.48Å; A40-N42 PolarHBondContact O-OD1 3.1Å; A40-N42 VanDerWaalsContact O-OD1 3.11Å; N42-S137 PolarHBondContact O-N 3.43Å; N42-S137 PolarHBondContact O-OG 2.91Å
43	H	97.9	Very high	76.1	Confident	89 Å²	89	60.6 Å²	60.6	41%	0.412	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132.3	174.9	-173.3	79.2	0	0	0	111.7	R41 S137	R41-H43 PolarHBondContact O-N 3.35Å; H43-S137 WeakPolarHBondContact CA-O 3.32Å; H43-S137 WeakPolarHBondContact CB-OG 2.95Å; H43-S137 PolarHBondContact ND1-OG 2.86Å
44	Y	98.6	Very high	79	Confident	8 Å²	8	52.5 Å²	52.5	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.2	171.6	-62.1	-85.9	0	0	0	111.4	R41 V46 L47 A72 E112 I114 I136 S137 Y138 R139	R41-Y44 HydrophobicContact CB-CE1 4.31Å; R41-Y44 WeakPolarHBondContact O-CE2 3.38Å; R41-Y44 PolarHBondContact O-OH 3.32Å; Y44-V46 VanDerWaalsContact C-N 3.32Å; Y44-L47 HydrophobicContact CD2-CD1 4.27Å; Y44-A72 HydrophobicContact CD1-CB 3.69Å; Y44-A72 HydrophobicContact CD2-CB 3.52Å; Y44-A72 HydrophobicContact CE1-CB 3.77Å; Y44-A72 HydrophobicContact CE2-CB 3.59Å; Y44-A72 HydrophobicContact CG-CB 3.58Å; Y44-E112 HydrophobicContact CE1-CB 4.01Å; Y44-E112 HydrophobicContact CE1-CG 4.42Å; Y44-E112 WeakPolarHBondContact OH-CG 3.44Å; Y44-I114 HydrophobicContact CE2-CD1 3.82Å; Y44-I136 HydrophobicContact CD2-CG2 3.94Å; Y44-I136 HydrophobicContact CE2-CG2 4.12Å; Y44-S137 PolarHBondContact N-O 2.86Å; Y44-Y138 VanDerWaalsContact O-CA 3.29Å; Y44-Y138 WeakPolarHBondContact O-CA 3.29Å; Y44-R139 PolarHBondContact O-N 3.46Å; Y44-R139 VanDerWaalsContact O-N 3.09Å
45	E	98.6	Very high	81.8	Confident	40 Å²	40	46.6 Å²	46.6	19%	0.187	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-39.2	173	-179.8	159.2	-144.4	0	0	110.9	V66 N70 R139 Y140	E45-V66 HydrophobicContact CG-CB 4.48Å; E45-V66 HydrophobicContact CG-CG1 4.03Å; E45-V66 WeakPolarHBondContact OE2-CB 3.33Å; E45-V66 WeakPolarHBondContact OE2-CG1 3.46Å; E45-N70 HydrophobicContact CB-CB 4.03Å; E45-N70 PolarHBondContact N-O 2.81Å; E45-N70 VanDerWaalsContact N-O 3.09Å; E45-R139 HydrophobicContact CG-CB 4.19Å; E45-R139 WeakPolarHBondContact O-CB 3.09Å; E45-R139 WeakPolarHBondContact OE1-CD 3.36Å; E45-R139 IonicContact OE1-CZ 3.87Å; E45-R139 IonicContact OE1-NE 2.71Å; E45-R139 IonicContact OE1-NH1 3.36Å; E45-R139 PolarHBondContact OE1-NH1 2.84Å; E45-Y140 HydrophobicContact CG-CD2 4.22Å; E45-Y140 HydrophobicContact CG-CE2 4.48Å; E45-Y140 PolarHBondContact O-N 3.18Å
46	V	98.9	Very high	84.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	110.4	173.3	-172.4	0	0	0	0	111.2	Y44 V48 M62 V66 N70 V71 A72 Y140 I142	Y44-V46 VanDerWaalsContact C-N 3.32Å; V46-V48 HydrophobicContact CG1-CG2 4.21Å; V46-M62 HydrophobicContact CB-CB 4.45Å; V46-M62 HydrophobicContact CG1-CB 4.24Å; V46-M62 HydrophobicContact CG1-CG 4Å; V46-M62 HydrophobicContact CG2-CB 4.38Å; V46-V66 HydrophobicContact CG2-CG1 4.38Å; V46-V66 HydrophobicContact CG2-CG2 4.12Å; V46-N70 PolarHBondContact N-O 3.23Å; V46-V71 HydrophobicContact CB-CG2 4.36Å; V46-V71 WeakPolarHBondContact O-CA 3.44Å; V46-A72 PolarHBondContact O-N 3.3Å; V46-A72 VanDerWaalsContact O-N 3.14Å; V46-Y140 WeakPolarHBondContact CA-O 3.49Å; V46-I142 HydrophobicContact CG1-CD1 3.68Å; V46-I142 HydrophobicContact CG1-CG1 4.03Å
47	L	98.9	Very high	87.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.2	171.9	-171.6	62.7	0	0	0	110.2	Y44 L49 A72 V74 I128 I136 Y138 Y140 L141 I142	Y44-L47 HydrophobicContact CD2-CD1 4.27Å; L47-L49 HydrophobicContact CD2-CD2 4.15Å; L47-L49 HydrophobicContact CG-CD2 4.03Å; L47-A72 HydrophobicContact CD1-CB 3.82Å; L47-V74 HydrophobicContact CD1-CG2 3.86Å; L47-I128 HydrophobicContact CD2-CD1 4.42Å; L47-I128 HydrophobicContact CD2-CG1 3.56Å; L47-I136 HydrophobicContact CD1-CG2 3.94Å; L47-I136 HydrophobicContact CD2-CB 4.31Å; L47-I136 HydrophobicContact CD2-CG2 3.8Å; L47-Y138 HydrophobicContact CB-CG 4.45Å; L47-Y138 HydrophobicContact CD2-CD1 4Å; L47-Y140 PolarHBondContact N-O 3.22Å; L47-L141 HydrophobicContact CB-CD1 3.94Å; L47-L141 HydrophobicContact CD2-CD1 4Å; L47-L141 HydrophobicContact CG-CD1 4.04Å; L47-L141 WeakPolarHBondContact O-CA 3.33Å; L47-I142 PolarHBondContact O-N 2.94Å
48	V	98.9	Very high	90.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.9	-178.2	-172.8	0	0	0	0	109.9	V46 G55 A59 V71 A72 V73 V74 I142	V46-V48 HydrophobicContact CG1-CG2 4.21Å; V48-G55 VanDerWaalsContact CG1-CA 3.45Å; V48-A59 HydrophobicContact CG2-CB 4.41Å; V48-V71 HydrophobicContact CG2-CG1 4.22Å; V48-A72 WeakPolarHBondContact CB-O 3.49Å; V48-A72 PolarHBondContact N-O 3.1Å; V48-V73 HydrophobicContact CB-CG2 4.26Å; V48-V73 CarbonylContact O-C 3.57Å; V48-V73 WeakPolarHBondContact O-CA 3.38Å; V48-V74 PolarHBondContact O-N 2.86Å; V48-I142 CarbonylContact C-O 3.57Å; V48-I142 WeakPolarHBondContact CA-O 3.28Å; V48-I142 HydrophobicContact CG1-CB 4.41Å; V48-I142 HydrophobicContact CG2-CB 4.33Å; V48-I142 HydrophobicContact CG2-CD1 4.43Å
49	L	98.9	Very high	93	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.2	-178.1	-47.8	-174.4	0	0	0	110.6	L47 V74 V118 L121 I128 L141 I142 I143 A144 L145	L47-L49 HydrophobicContact CD2-CD2 4.15Å; L47-L49 HydrophobicContact CG-CD2 4.03Å; L49-V74 HydrophobicContact CD2-CB 4.22Å; L49-V74 HydrophobicContact CD2-CG2 4.04Å; L49-V118 HydrophobicContact CB-CG2 4.27Å; L49-V118 HydrophobicContact CD1-CG1 4.43Å; L49-V118 HydrophobicContact CD1-CG2 4.19Å; L49-V118 HydrophobicContact CD2-CG2 3.85Å; L49-V118 HydrophobicContact CG-CG2 4.32Å; L49-L121 HydrophobicContact CD1-CD2 3.61Å; L49-L121 HydrophobicContact CD1-CG 4.07Å; L49-I128 HydrophobicContact CD1-CG2 4.23Å; L49-I128 HydrophobicContact CD2-CG1 4.24Å; L49-L141 HydrophobicContact CD1-CD1 3.98Å; L49-L141 HydrophobicContact CD1-CD2 4.23Å; L49-L141 HydrophobicContact CD1-CG 4.42Å; L49-L141 HydrophobicContact CD2-CD1 3.92Å; L49-L141 HydrophobicContact CG-CD1 3.77Å; L49-I142 PolarHBondContact N-O 2.88Å; L49-I143 HydrophobicContact CD1-CG1 4.18Å; L49-A144 CarbonylContact O-C 3.41Å; L49-A144 VanDerWaalsContact O-C 3.27Å; L49-A144 WeakPolarHBondContact O-CA 3.31Å; L49-A144 WeakPolarHBondContact O-CB 3.35Å; L49-A144 PolarHBondContact O-N 3.09Å; L49-L145 HydrophobicContact CB-CD1 4.39Å; L49-L145 HydrophobicContact CB-CD2 3.95Å; L49-L145 HydrophobicContact CB-CG 4Å; L49-L145 PolarHBondContact O-N 3.11Å
50	G	98.9	Very high	95.3	Very high	4 Å²	4	22 Å²	22	4%	0.041	12%	0.123	C	C	.	.			trans	91.7	116	-177.7	0	0	0	0	0	113	G52 G55 V74	G50-G52 PolarHBondContact O-N 2.81Å; G50-G52 VanDerWaalsContact O-N 3.16Å; G50-G55 WeakPolarHBondContact O-CA 3.45Å; G50-V74 WeakPolarHBondContact CA-O 3.49Å; G50-V74 PolarHBondContact N-O 3.25Å
51	G	98.7	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.			trans	-82.9	28.8	175.7	0	0	0	0	0	113.6	I56 E75 H80	G51-I56 WeakPolarHBondContact O-CG1 3.44Å; G51-E75 WeakPolarHBondContact CA-OE2 3.09Å; G51-E75 PolarHBondContact N-OE2 2.8Å; G51-H80 PolarHBondContact O-CE1 2.74Å; G51-H80 VanDerWaalsContact O-CE1 3.31Å; G51-H80 PolarHBondContact O-ND1 3.26Å
52	G	98.6	Very high	98.2	Very high	26 Å²	26	14.3 Å²	14.3	27%	0.268	8%	0.081	S	C	.	.	S	Bend	trans	-77	-169.3	172.2	0	0	0	0	0	113.4	G50 G54 G55 I56	G50-G52 PolarHBondContact O-N 2.81Å; G50-G52 VanDerWaalsContact O-N 3.16Å; G52-G54 PolarHBondContact O-N 3.23Å; G52-G54 VanDerWaalsContact O-N 3.15Å; G52-G55 PolarHBondContact O-N 3.1Å; G52-I56 PolarHBondContact O-N 3.3Å; G52-I56 VanDerWaalsContact O-N 3.11Å
53	S	98.9	Very high	98.8	Very high	20 Å²	20	13.3 Å²	13.3	14%	0.14	7%	0.073	C	C	.	.	H	α-helix	trans	-52.5	-38.2	-178.4	-40.2	0	0	0	0	113.6	T57 Y426	S53-T57 VanDerWaalsContact O-CB 3.28Å; S53-T57 WeakPolarHBondContact O-CB 3.26Å; S53-T57 PolarHBondContact O-OG1 2.89Å; S53-Y426 WeakPolarHBondContact CB-OH 3.38Å; S53-Y426 PolarHBondContact OG-OH 3.25Å
54	G	98.9	Very high	98.8	Very high	6 Å²	6	14.3 Å²	14.3	6%	0.062	7%	0.073	C	C	.	.	H	α-helix	trans	-73.3	-56.1	178.6	0	0	0	0	0	112	G52 I56 T57 M58	G52-G54 PolarHBondContact O-N 3.23Å; G52-G54 VanDerWaalsContact O-N 3.15Å; G54-I56 PolarHBondContact O-N 3.1Å; G54-T57 PolarHBondContact O-N 2.89Å; G54-M58 WeakPolarHBondContact O-CG 3.28Å; G54-M58 PolarHBondContact O-N 3.49Å
55	G	98.9	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-44.7	-172.9	0	0	0	0	0	113.7	V48 G50 G52 T57 M58 A59 A144	V48-G55 VanDerWaalsContact CG1-CA 3.45Å; G50-G55 WeakPolarHBondContact O-CA 3.45Å; G52-G55 PolarHBondContact O-N 3.1Å; G55-T57 PolarHBondContact O-N 2.69Å; G55-M58 PolarHBondContact O-N 3.07Å; G55-A59 WeakPolarHBondContact O-CB 3.34Å; G55-A59 PolarHBondContact O-N 2.83Å; G55-A144 VanDerWaalsContact N-CB 3.32Å
56	I	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.8	-42.9	177	-61.6	-64.1	0	0	0	111.2	G51 G52 G54 M58 A59 A60 M103 V106 I107 L431	G51-I56 WeakPolarHBondContact O-CG1 3.44Å; G52-I56 PolarHBondContact O-N 3.3Å; G52-I56 VanDerWaalsContact O-N 3.11Å; G54-I56 PolarHBondContact O-N 3.1Å; I56-M58 VanDerWaalsContact C-N 3.3Å; I56-M58 PolarHBondContact O-N 2.82Å; I56-A59 PolarHBondContact O-N 2.97Å; I56-A60 WeakPolarHBondContact O-CB 3.43Å; I56-A60 PolarHBondContact O-N 3.28Å; I56-M103 HydrophobicContact CD1-SD 4.27Å; I56-V106 WeakPolarHBondContact CG2-O 3.15Å; I56-I107 HydrophobicContact CD1-CD1 3.76Å; I56-I107 HydrophobicContact CD1-CG1 4.46Å; I56-L431 HydrophobicContact CB-CD2 4.14Å; I56-L431 HydrophobicContact CG2-CB 3.85Å; I56-L431 HydrophobicContact CG2-CD1 4.33Å; I56-L431 HydrophobicContact CG2-CD2 4.02Å; I56-L431 HydrophobicContact CG2-CG 4.28Å
57	T	98.9	Very high	98.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-41.6	175.2	-59.9	0	0	0	0	111.3	S53 G54 G55 R61 S353 M430	S53-T57 VanDerWaalsContact O-CB 3.28Å; S53-T57 WeakPolarHBondContact O-CB 3.26Å; S53-T57 PolarHBondContact O-OG1 2.89Å; G54-T57 PolarHBondContact O-N 2.89Å; G55-T57 PolarHBondContact O-N 2.69Å; T57-R61 VanDerWaalsContact O-CG 3.25Å; T57-R61 WeakPolarHBondContact O-CG 3.31Å; T57-R61 PolarHBondContact O-N 3.4Å; T57-S353 WeakPolarHBondContact CG2-OG 3.43Å; T57-M430 HydrophobicContact CG2-CG 4.43Å; T57-M430 WeakPolarHBondContact CG2-O 3.38Å; T57-M430 PolarHBondContact OG1-O 2.82Å
58	M	98.9	Very high	98.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-73.6	-42.7	178.7	-70.4	-52.6	-57.7	0	0	112.5	G54 G55 I56 A60 R61 M62 I142 I334 L356 I360	G54-M58 WeakPolarHBondContact O-CG 3.28Å; G54-M58 PolarHBondContact O-N 3.49Å; G55-M58 PolarHBondContact O-N 3.07Å; I56-M58 VanDerWaalsContact C-N 3.3Å; I56-M58 PolarHBondContact O-N 2.82Å; M58-A60 VanDerWaalsContact C-N 3.29Å; M58-A60 PolarHBondContact O-N 3.25Å; M58-R61 CarbonylContact O-C 3.59Å; M58-R61 WeakPolarHBondContact O-CA 3Å; M58-R61 WeakPolarHBondContact O-CB 3.32Å; M58-R61 PolarHBondContact O-N 3.48Å; M58-M62 HydrophobicContact CE-CE 3.8Å; M58-M62 WeakPolarHBondContact O-CB 3.37Å; M58-M62 VanDerWaalsContact O-CG 3.23Å; M58-M62 WeakPolarHBondContact O-CG 3.3Å; M58-M62 PolarHBondContact O-N 3.42Å; M58-I142 HydrophobicContact CB-CD1 4.09Å; M58-I142 HydrophobicContact CB-CG2 4.13Å; M58-I142 HydrophobicContact CE-CD1 3.99Å; M58-I142 HydrophobicContact CG-CG2 4.12Å; M58-I334 HydrophobicContact CG-CD1 3.81Å; M58-I334 HydrophobicContact CG-CG2 4.14Å; M58-I334 HydrophobicContact SD-CD1 3.89Å; M58-L356 HydrophobicContact CE-CB 4.09Å; M58-L356 HydrophobicContact CE-CD2 3.71Å; M58-L356 HydrophobicContact CE-CG 3.63Å; M58-L356 HydrophobicContact CG-CD2 4.38Å; M58-L356 HydrophobicContact SD-CB 4.38Å; M58-L356 HydrophobicContact SD-CD2 4.07Å; M58-L356 HydrophobicContact SD-CG 4.35Å; M58-I360 HydrophobicContact CE-CD1 4.06Å
59	A	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.1	-43.1	174	0	0	0	0	0	111.3	V48 G55 I56 R61 M62 K63 V71 V73 P108 V111	V48-A59 HydrophobicContact CG2-CB 4.41Å; G55-A59 WeakPolarHBondContact O-CB 3.34Å; G55-A59 PolarHBondContact O-N 2.83Å; I56-A59 PolarHBondContact O-N 2.97Å; A59-R61 VanDerWaalsContact C-N 3.29Å; A59-R61 PolarHBondContact O-N 2.9Å; A59-M62 PolarHBondContact O-N 3.47Å; A59-K63 VanDerWaalsContact O-CB 3.26Å; A59-K63 WeakPolarHBondContact O-CB 3.23Å; A59-K63 PolarHBondContact O-N 3.42Å; A59-V71 HydrophobicContact CB-CG1 4.21Å; A59-V73 HydrophobicContact CB-CG2 3.65Å; A59-P108 HydrophobicContact CB-CG 4.01Å; A59-V111 HydrophobicContact CB-CG1 4.44Å
60	A	98.9	Very high	98.7	Very high	6 Å²	6	24.6 Å²	24.6	5%	0.05	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-30.2	175.3	0	0	0	0	0	113.6	I56 M58 R64 P108 L431	I56-A60 WeakPolarHBondContact O-CB 3.43Å; I56-A60 PolarHBondContact O-N 3.28Å; M58-A60 VanDerWaalsContact C-N 3.29Å; M58-A60 PolarHBondContact O-N 3.25Å; A60-R64 PolarHBondContact O-NH1 3.35Å; A60-P108 HydrophobicContact CB-CB 4.4Å; A60-P108 HydrophobicContact CB-CG 3.88Å; A60-L431 VanDerWaalsContact CB-O 3.25Å; A60-L431 WeakPolarHBondContact CB-O 3.27Å
61	R	98.9	Very high	98.7	Very high	20 Å²	20	24.4 Å²	24.4	8%	0.075	13%	0.129	C	C	.	.	H	α-helix	trans	-76.1	-42.2	174.2	-73	170.6	171.9	-66.3	-2.8	112.2	T57 M58 A59 R64 S353 D357 G433 W435	T57-R61 VanDerWaalsContact O-CG 3.25Å; T57-R61 WeakPolarHBondContact O-CG 3.31Å; T57-R61 PolarHBondContact O-N 3.4Å; M58-R61 CarbonylContact O-C 3.59Å; M58-R61 WeakPolarHBondContact O-CA 3Å; M58-R61 WeakPolarHBondContact O-CB 3.32Å; M58-R61 PolarHBondContact O-N 3.48Å; A59-R61 VanDerWaalsContact C-N 3.29Å; A59-R61 PolarHBondContact O-N 2.9Å; R61-R64 PolarHBondContact O-N 2.9Å; R61-S353 PolarHBondContact NE-OG 3.5Å; R61-S353 PolarHBondContact NH2-OG 2.96Å; R61-D357 WeakPolarHBondContact CB-OD2 3.06Å; R61-D357 WeakPolarHBondContact CD-OD2 3.43Å; R61-D357 WeakPolarHBondContact CG-OD2 3.39Å; R61-D357 IonicContact CZ-OD2 3.93Å; R61-D357 IonicContact NH1-OD2 2.69Å; R61-D357 PolarHBondContact NH1-OD2 3.22Å; R61-G433 PolarHBondContact NH1-O 3.38Å; R61-G433 PolarHBondContact NH2-O 2.97Å; R61-W435 PolarHBondContact NH2-O 3.23Å
62	M	98.9	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-74.3	-36.2	-177.6	-64	-63.9	113.2	0	0	112	V46 M58 A59 R64 K65 V66 V71 I142 I360	V46-M62 HydrophobicContact CB-CB 4.45Å; V46-M62 HydrophobicContact CG1-CB 4.24Å; V46-M62 HydrophobicContact CG1-CG 4Å; V46-M62 HydrophobicContact CG2-CB 4.38Å; M58-M62 HydrophobicContact CE-CE 3.8Å; M58-M62 WeakPolarHBondContact O-CB 3.37Å; M58-M62 VanDerWaalsContact O-CG 3.23Å; M58-M62 WeakPolarHBondContact O-CG 3.3Å; M58-M62 PolarHBondContact O-N 3.42Å; A59-M62 PolarHBondContact O-N 3.47Å; M62-R64 PolarHBondContact O-N 3.39Å; M62-K65 HydrophobicContact CE-CD 3.7Å; M62-K65 WeakPolarHBondContact O-CA 3.46Å; M62-K65 WeakPolarHBondContact O-CB 3.44Å; M62-K65 PolarHBondContact O-N 3.1Å; M62-K65 HydrophobicContact SD-CD 4.04Å; M62-V66 WeakPolarHBondContact O-CG2 3.36Å; M62-V66 PolarHBondContact O-N 2.99Å; M62-V66 VanDerWaalsContact O-N 3.08Å; M62-V71 HydrophobicContact CB-CG2 4.15Å; M62-I142 HydrophobicContact CG-CD1 3.75Å; M62-I142 HydrophobicContact SD-CD1 4.26Å; M62-I360 HydrophobicContact CE-CB 4.33Å; M62-I360 HydrophobicContact CE-CD1 3.97Å; M62-I360 HydrophobicContact CE-CG2 4.43Å; M62-I360 HydrophobicContact SD-CB 4.33Å; M62-I360 HydrophobicContact SD-CD1 3.83Å; M62-I360 HydrophobicContact SD-CG2 3.84Å
63	K	98.8	Very high	98.7	Very high	61 Å²	61	23.2 Å²	23.2	27%	0.265	12%	0.116	S	C	.	.	H	α-helix	trans	-47.6	-36.7	169.8	165.2	171.7	171.6	171.4	0	113	A59 K65 G67 A68 P108 S109 V111	A59-K63 VanDerWaalsContact O-CB 3.26Å; A59-K63 WeakPolarHBondContact O-CB 3.23Å; A59-K63 PolarHBondContact O-N 3.42Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 2.83Å; K63-G67 VanDerWaalsContact CA-O 3.32Å; K63-G67 WeakPolarHBondContact CA-O 3.43Å; K63-G67 CarbonylContact O-C 3.59Å; K63-G67 WeakPolarHBondContact O-CA 3.43Å; K63-G67 PolarHBondContact O-N 3.11Å; K63-A68 HydrophobicContact CD-CB 3.79Å; K63-A68 HydrophobicContact CG-CB 3.86Å; K63-P108 HydrophobicContact CD-CB 4.03Å; K63-S109 PolarHBondContact NZ-O 2.48Å; K63-S109 PolarHBondContact NZ-OG 2.94Å; K63-V111 HydrophobicContact CB-CG2 4.1Å; K63-V111 HydrophobicContact CD-CG2 4.17Å
64	R	98.7	Very high	98.7	Very high	109 Å²	109	22.4 Å²	22.4	41%	0.411	11%	0.11	S	C	.	.	H	α-helix	trans	-83.7	2.9	179.8	-62.3	-172.7	-60.8	-109.1	0.9	114.3	A60 R61 M62 R432 G433	A60-R64 PolarHBondContact O-NH1 3.35Å; R61-R64 PolarHBondContact O-N 2.9Å; M62-R64 PolarHBondContact O-N 3.39Å; R64-R432 PolarHBondContact NH1-O 2.73Å; R64-G433 PolarHBondContact NH2-O 3.03Å
65	K	98.3	Very high	98.7	Very high	72 Å²	72	23.4 Å²	23.4	31%	0.313	11%	0.114	S	C	.	.	H	α-helix	trans	-114	-42.5	178.3	-59.8	-175.9	-169.3	-63.5	0	112.4	M62 K63 D357 S361	M62-K65 HydrophobicContact CE-CD 3.7Å; M62-K65 WeakPolarHBondContact O-CA 3.46Å; M62-K65 WeakPolarHBondContact O-CB 3.44Å; M62-K65 PolarHBondContact O-N 3.1Å; M62-K65 HydrophobicContact SD-CD 4.04Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 2.83Å; K65-D357 WeakPolarHBondContact CE-O 3.41Å; K65-D357 VanDerWaalsContact CE-OD1 3.28Å; K65-D357 WeakPolarHBondContact CE-OD1 3.42Å; K65-D357 PolarHBondContact NZ-O 3.19Å; K65-D357 IonicContact NZ-OD1 3.34Å; K65-D357 PolarHBondContact NZ-OD1 2.95Å; K65-S361 VanDerWaalsContact CE-OG 3.31Å; K65-S361 WeakPolarHBondContact CE-OG 3.37Å; K65-S361 PolarHBondContact NZ-OG 3.41Å
66	V	98.5	Very high	98.7	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-116.1	5.6	-171.3	-60.6	0	0	0	0	114.2	E45 V46 M62 N70 V71 M364	E45-V66 HydrophobicContact CG-CB 4.48Å; E45-V66 HydrophobicContact CG-CG1 4.03Å; E45-V66 WeakPolarHBondContact OE2-CB 3.33Å; E45-V66 WeakPolarHBondContact OE2-CG1 3.46Å; V46-V66 HydrophobicContact CG2-CG1 4.38Å; V46-V66 HydrophobicContact CG2-CG2 4.12Å; M62-V66 WeakPolarHBondContact O-CG2 3.36Å; M62-V66 PolarHBondContact O-N 2.99Å; M62-V66 VanDerWaalsContact O-N 3.08Å; V66-N70 HydrophobicContact CB-CB 4.4Å; V66-N70 HydrophobicContact CG2-CB 4.26Å; V66-N70 PolarHBondContact O-ND2 3.35Å; V66-V71 HydrophobicContact CG2-CG2 3.49Å; V66-V71 VanDerWaalsContact CG2-CG2 3.49Å; V66-M364 HydrophobicContact CG1-CE 3.44Å; V66-M364 VanDerWaalsContact CG1-CE 3.44Å; V66-M364 HydrophobicContact CG1-SD 4.42Å
67	G	98.5	Very high	98.7	Very high	24 Å²	24	28.6 Å²	28.6	25%	0.247	15%	0.149	C	C	.	.			trans	84.1	170.8	-164.4	0	0	0	0	0	111.6	K63	K63-G67 VanDerWaalsContact CA-O 3.32Å; K63-G67 WeakPolarHBondContact CA-O 3.43Å; K63-G67 CarbonylContact O-C 3.59Å; K63-G67 WeakPolarHBondContact O-CA 3.43Å; K63-G67 PolarHBondContact O-N 3.11Å
68	A	98.5	Very high	98.7	Very high	13 Å²	13	34.4 Å²	34.4	11%	0.107	18%	0.175	C	C	.	.	S	Bend	trans	-84.8	-42.5	-179	0	0	0	0	0	110.9	K63 N70 V71 G110 V111	K63-A68 HydrophobicContact CD-CB 3.79Å; K63-A68 HydrophobicContact CG-CB 3.86Å; A68-N70 PolarHBondContact O-N 2.98Å; A68-N70 VanDerWaalsContact O-N 3.17Å; A68-V71 PolarHBondContact O-N 3.27Å; A68-G110 CarbonylContact C-O 3.6Å; A68-G110 VanDerWaalsContact CB-O 3.31Å; A68-G110 WeakPolarHBondContact CB-O 3.37Å; A68-V111 HydrophobicContact CB-CG2 4.28Å
69	E	97.9	Very high	98.7	Very high	110 Å²	110	39.6 Å²	39.6	51%	0.514	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.1	-178.7	68	-66.5	159.5	0	0	114.6	R41 G110	R41-E69 PolarHBondContact NH1-O 2.79Å; E69-G110 PolarHBondContact N-O 2.86Å
70	N	98.6	Very high	98.7	Very high	33 Å²	33	39.8 Å²	39.8	18%	0.176	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	11.6	177.2	-53.6	-51.3	0	0	0	112.8	R41 E45 V46 V66 A68	R41-N70 PolarHBondContact NH1-OD1 2.93Å; R41-N70 PolarHBondContact NH2-OD1 2.7Å; E45-N70 HydrophobicContact CB-CB 4.03Å; E45-N70 PolarHBondContact N-O 2.81Å; E45-N70 VanDerWaalsContact N-O 3.09Å; V46-N70 PolarHBondContact N-O 3.23Å; V66-N70 HydrophobicContact CB-CB 4.4Å; V66-N70 HydrophobicContact CG2-CB 4.26Å; V66-N70 PolarHBondContact O-ND2 3.35Å; A68-N70 PolarHBondContact O-N 2.98Å; A68-N70 VanDerWaalsContact O-N 3.17Å
71	V	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.6	174.7	-172.2	0	0	0	0	110.3	V46 V48 A59 M62 V66 A68 V111 E112	V46-V71 HydrophobicContact CB-CG2 4.36Å; V46-V71 WeakPolarHBondContact O-CA 3.44Å; V48-V71 HydrophobicContact CG2-CG1 4.22Å; A59-V71 HydrophobicContact CB-CG1 4.21Å; M62-V71 HydrophobicContact CB-CG2 4.15Å; V66-V71 HydrophobicContact CG2-CG2 3.49Å; V66-V71 VanDerWaalsContact CG2-CG2 3.49Å; A68-V71 PolarHBondContact O-N 3.27Å; V71-V111 HydrophobicContact CB-CG1 4.03Å; V71-V111 HydrophobicContact CB-CG2 4.2Å; V71-V111 HydrophobicContact CG1-CG1 3.86Å; V71-V111 HydrophobicContact CG1-CG2 4.49Å; V71-V111 WeakPolarHBondContact O-CG1 3.34Å; V71-E112 PolarHBondContact O-N 2.79Å; V71-E112 VanDerWaalsContact O-N 3.14Å
72	A	98.8	Very high	98.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	149	171	0	0	0	0	0	112.2	Y44 V46 L47 V48 E112 I114	Y44-A72 HydrophobicContact CD1-CB 3.69Å; Y44-A72 HydrophobicContact CD2-CB 3.52Å; Y44-A72 HydrophobicContact CE1-CB 3.77Å; Y44-A72 HydrophobicContact CE2-CB 3.59Å; Y44-A72 HydrophobicContact CG-CB 3.58Å; V46-A72 PolarHBondContact O-N 3.3Å; V46-A72 VanDerWaalsContact O-N 3.14Å; L47-A72 HydrophobicContact CD1-CB 3.82Å; V48-A72 WeakPolarHBondContact CB-O 3.49Å; V48-A72 PolarHBondContact N-O 3.1Å; A72-E112 HydrophobicContact CB-CB 3.83Å; A72-I114 HydrophobicContact CB-CD1 3.92Å; A72-I114 HydrophobicContact CB-CG1 4.39Å
73	V	98.9	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.9	173.7	-176.5	0	0	0	0	109.6	V48 A59 E75 I107 V111 E112 I114	V48-V73 HydrophobicContact CB-CG2 4.26Å; V48-V73 CarbonylContact O-C 3.57Å; V48-V73 WeakPolarHBondContact O-CA 3.38Å; A59-V73 HydrophobicContact CB-CG2 3.65Å; V73-E75 HydrophobicContact CG1-CB 4.31Å; V73-I107 HydrophobicContact CB-CD1 3.98Å; V73-I107 HydrophobicContact CG1-CD1 4.22Å; V73-I107 HydrophobicContact CG2-CD1 4.23Å; V73-V111 HydrophobicContact CG2-CG1 3.96Å; V73-E112 PolarHBondContact N-O 2.84Å; V73-I114 PolarHBondContact O-N 3.43Å
74	V	98.8	Very high	98.6	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.1	173.8	-174.8	0	0	0	0	109.1	L47 V48 L49 G50 I114 A116 V118 T130 I136	L47-V74 HydrophobicContact CD1-CG2 3.86Å; V48-V74 PolarHBondContact O-N 2.86Å; L49-V74 HydrophobicContact CD2-CB 4.22Å; L49-V74 HydrophobicContact CD2-CG2 4.04Å; G50-V74 WeakPolarHBondContact CA-O 3.49Å; G50-V74 PolarHBondContact N-O 3.25Å; V74-I114 WeakPolarHBondContact CA-O 3.38Å; V74-I114 HydrophobicContact CG2-CB 4.2Å; V74-I114 HydrophobicContact CG2-CD1 4.37Å; V74-I114 HydrophobicContact CG2-CG2 4.41Å; V74-A116 VanDerWaalsContact CG1-O 3.3Å; V74-A116 WeakPolarHBondContact CG1-O 3.38Å; V74-V118 HydrophobicContact CB-CG2 4.24Å; V74-V118 HydrophobicContact CG1-CG2 3.72Å; V74-T130 HydrophobicContact CG1-CG2 3.65Å; V74-I136 HydrophobicContact CG2-CD1 4.48Å
75	E	98.8	Very high	98.6	Very high	28 Å²	28	38.4 Å²	38.4	13%	0.131	20%	0.198	C	C	.	.			trans	-158.7	117.4	-175.5	173.8	55.8	-115	0	0	112.4	G51 V73 S77 M103 W113 I114 K115 A116	G51-E75 WeakPolarHBondContact CA-OE2 3.09Å; G51-E75 PolarHBondContact N-OE2 2.8Å; V73-E75 HydrophobicContact CG1-CB 4.31Å; E75-S77 WeakPolarHBondContact OE1-CA 3.35Å; E75-S77 WeakPolarHBondContact OE1-CB 3.47Å; E75-S77 PolarHBondContact OE1-N 3.09Å; E75-M103 HydrophobicContact CG-CE 3.65Å; E75-M103 HydrophobicContact CG-CG 4.15Å; E75-M103 HydrophobicContact CG-SD 4.12Å; E75-W113 PolarHBondContact O-NE1 2.95Å; E75-I114 PolarHBondContact N-O 3.48Å; E75-K115 WeakPolarHBondContact O-CA 3.49Å; E75-A116 CarbonylContact C-O 3.59Å; E75-A116 PolarHBondContact N-O 2.94Å
76	P	98.6	Very high	98.7	Very high	63 Å²	63	35.7 Å²	35.7	41%	0.409	19%	0.186	S	C	.	.			trans	-77.2	-23.3	-179.1	31.4	-36.5	0	0	0	114	E78 A116 R117	P76-E78 PolarHBondContact O-N 3.27Å; P76-A116 VanDerWaalsContact CD-O 3.32Å; P76-A116 WeakPolarHBondContact CD-O 3.41Å; P76-R117 HydrophobicContact CB-CB 4.22Å; P76-R117 HydrophobicContact CG-CB 4.01Å; P76-R117 HydrophobicContact CG-CG 4.49Å
77	S	98.5	Very high	98.7	Very high	46 Å²	46	35.6 Å²	35.6	32%	0.322	19%	0.185	S	C	.	.			trans	-75.1	124.5	-175	-175.8	0	0	0	0	112.8	E75 R79 M103	E75-S77 WeakPolarHBondContact OE1-CA 3.35Å; E75-S77 WeakPolarHBondContact OE1-CB 3.47Å; E75-S77 PolarHBondContact OE1-N 3.09Å; S77-R79 PolarHBondContact O-N 3.23Å; S77-R79 PolarHBondContact OG-N 2.86Å; S77-R79 VanDerWaalsContact OG-N 3.11Å; S77-R79 PolarHBondContact OG-O 3.05Å; S77-M103 VanDerWaalsContact O-CB 3.28Å; S77-M103 WeakPolarHBondContact O-CB 3.41Å; S77-M103 WeakPolarHBondContact O-CE 3.45Å; S77-M103 WeakPolarHBondContact O-CG 3.49Å
78	E	98.6	Very high	98.7	Very high	121 Å²	121	34.4 Å²	34.4	57%	0.565	17%	0.173	S	C	*	.	S	Bend	trans	-67.2	-9.9	168.7	-63.8	-176.9	172.4	0	0	113.8	P76 P102 M103 K115	P76-E78 PolarHBondContact O-N 3.27Å; E78-P102 CarbonylContact O-C 3.56Å; E78-P102 WeakPolarHBondContact O-CA 3.45Å; E78-M103 PolarHBondContact O-N 2.86Å; E78-K115 IonicContact OE1-NZ 2.74Å; E78-K115 PolarHBondContact OE1-NZ 2.86Å
79	R	98.7	Very high	98.7	Very high	110 Å²	110	34 Å²	34	42%	0.415	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.1	-175.8	-64.2	-172.3	67	95.4	3.6	112.5	S77 F81 G100 R101	S77-R79 PolarHBondContact O-N 3.23Å; S77-R79 PolarHBondContact OG-N 2.86Å; S77-R79 VanDerWaalsContact OG-N 3.11Å; S77-R79 PolarHBondContact OG-O 3.05Å; R79-F81 HydrophobicContact CB-CD2 4.23Å; R79-F81 HydrophobicContact CB-CE2 3.52Å; R79-F81 HydrophobicContact CB-CZ 3.88Å; R79-G100 PolarHBondContact NH2-O 3.32Å; R79-R101 WeakPolarHBondContact CA-O 3.15Å
80	H	98.9	Very high	98.8	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.019	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.1	169.4	-170.6	105.5	0	0	0	109.9	G51 G100 R101 M103 V106 Y426 W427	G51-H80 PolarHBondContact O-CE1 2.74Å; G51-H80 VanDerWaalsContact O-CE1 3.31Å; G51-H80 PolarHBondContact O-ND1 3.26Å; H80-G100 CarbonylContact O-C 3.17Å; H80-G100 WeakPolarHBondContact O-CA 3.41Å; H80-R101 PolarHBondContact N-O 2.82Å; H80-R101 PolarHBondContact O-N 2.94Å; H80-M103 HydrophobicContact CB-CE 3.66Å; H80-M103 HydrophobicContact CB-SD 3.93Å; H80-V106 HydrophobicContact CB-CG2 3.63Å; H80-Y426 AromaticContact NE2-CE1 3.66Å; H80-Y426 AromaticContact NE2-CZ 3.58Å; H80-Y426 PolarHBondContact NE2-OH 3.17Å; H80-W427 AromaticContact CD2-CH2 3.81Å; H80-W427 AromaticContact CD2-CZ3 3.52Å
81	F	98.9	Very high	98.8	Very high	32 Å²	32	27.2 Å²	27.2	14%	0.14	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.6	-176.8	-69.5	-83.7	0	0	0	113.9	R79 Q83 W86 S99 V172	R79-F81 HydrophobicContact CB-CD2 4.23Å; R79-F81 HydrophobicContact CB-CE2 3.52Å; R79-F81 HydrophobicContact CB-CZ 3.88Å; F81-Q83 HydrophobicContact CB-CG 4.2Å; F81-Q83 PolarHBondContact O-N 3.1Å; F81-W86 HydrophobicContact CB-CH2 4.43Å; F81-W86 HydrophobicContact CB-CZ2 3.78Å; F81-W86 AromaticContact CD1-CZ2 3.77Å; F81-W86 HydrophobicContact CD1-CZ2 3.77Å; F81-W86 HydrophobicContact CD2-CZ2 4.28Å; F81-W86 HydrophobicContact CE1-CZ2 4.36Å; F81-W86 HydrophobicContact CG-CH2 4.48Å; F81-W86 AromaticContact CG-CZ2 3.7Å; F81-W86 HydrophobicContact CG-CZ2 3.7Å; F81-S99 CarbonylContact C-O 3.52Å; F81-S99 WeakPolarHBondContact CA-O 3.34Å; F81-V172 HydrophobicContact CE1-CG2 3.92Å; F81-V172 HydrophobicContact CE2-CG2 4.44Å; F81-V172 HydrophobicContact CZ-CB 4.4Å; F81-V172 HydrophobicContact CZ-CG2 3.7Å
82	Y	98.8	Very high	98.8	Very high	17 Å²	17	28.9 Å²	28.9	7%	0.067	15%	0.154	C	C	.	.			trans	-75.4	72.8	163.9	-179	-115.8	0	0	0	110.5	P84 I85 S99 M422 P423 Y426	Y82-P84 VanDerWaalsContact C-N 3.29Å; Y82-P84 HydrophobicContact CD2-CG 4.24Å; Y82-P84 HydrophobicContact CE1-CB 4.23Å; Y82-P84 HydrophobicContact CE2-CB 4.04Å; Y82-P84 HydrophobicContact CE2-CG 3.8Å; Y82-P84 WeakPolarHBondContact O-CD 3.11Å; Y82-P84 VanDerWaalsContact O-N 3.11Å; Y82-I85 HydrophobicContact CD1-CB 3.84Å; Y82-I85 HydrophobicContact CD1-CG2 4.33Å; Y82-I85 HydrophobicContact CE1-CB 4.06Å; Y82-I85 HydrophobicContact CE1-CD1 4.49Å; Y82-I85 WeakPolarHBondContact O-CG2 3.22Å; Y82-I85 PolarHBondContact O-N 3.32Å; Y82-I85 VanDerWaalsContact O-N 3.12Å; Y82-S99 PolarHBondContact N-O 3.26Å; Y82-M422 WeakPolarHBondContact OH-CB 3.49Å; Y82-P423 HydrophobicContact CD1-CB 4.25Å; Y82-P423 HydrophobicContact CD1-CG 4.34Å; Y82-P423 HydrophobicContact CE1-CB 4.1Å; Y82-P423 HydrophobicContact CE1-CG 3.79Å; Y82-Y426 AromaticContact CD2-CD1 3.4Å; Y82-Y426 HydrophobicContact CD2-CD1 3.4Å; Y82-Y426 VanDerWaalsContact CD2-CD1 3.4Å; Y82-Y426 AromaticContact CD2-CD2 3.47Å; Y82-Y426 HydrophobicContact CD2-CD2 3.47Å; Y82-Y426 VanDerWaalsContact CD2-CD2 3.47Å; Y82-Y426 AromaticContact CD2-CE1 3.73Å; Y82-Y426 HydrophobicContact CD2-CE1 3.73Å; Y82-Y426 AromaticContact CD2-CE2 3.78Å; Y82-Y426 HydrophobicContact CD2-CE2 3.78Å; Y82-Y426 AromaticContact CD2-CG 3.25Å; Y82-Y426 HydrophobicContact CD2-CG 3.25Å; Y82-Y426 AromaticContact CD2-CZ 3.89Å; Y82-Y426 HydrophobicContact CE2-CD1 4.26Å; Y82-Y426 AromaticContact CE2-CD2 3.7Å; Y82-Y426 HydrophobicContact CE2-CD2 3.7Å; Y82-Y426 HydrophobicContact CE2-CE2 4.29Å; Y82-Y426 AromaticContact CE2-CG 3.65Å; Y82-Y426 HydrophobicContact CE2-CG 3.65Å; Y82-Y426 AromaticContact CG-CD1 3.85Å; Y82-Y426 HydrophobicContact CG-CD1 3.85Å; Y82-Y426 HydrophobicContact CG-CE1 4.17Å; Y82-Y426 HydrophobicContact CG-CG 4.09Å
83	Q	98.8	Very high	98.7	Very high	67 Å²	67	30.6 Å²	30.6	31%	0.313	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-49.1	-33.1	-177.5	-65.7	168.4	64.1	0	0	115.4	F81 I85 W86	F81-Q83 HydrophobicContact CB-CG 4.2Å; F81-Q83 PolarHBondContact O-N 3.1Å; Q83-I85 PolarHBondContact O-N 2.99Å; Q83-W86 HydrophobicContact CB-CD2 4.37Å; Q83-W86 HydrophobicContact CB-CE3 4.15Å; Q83-W86 HydrophobicContact CB-CZ3 4.38Å; Q83-W86 HydrophobicContact CG-CD2 4.33Å; Q83-W86 HydrophobicContact CG-CE3 3.98Å; Q83-W86 HydrophobicContact CG-CH2 3.82Å; Q83-W86 HydrophobicContact CG-CZ2 4.17Å; Q83-W86 HydrophobicContact CG-CZ3 3.72Å; Q83-W86 VanDerWaalsContact O-CB 3.29Å; Q83-W86 WeakPolarHBondContact O-CB 3.49Å; Q83-W86 PolarHBondContact O-N 2.96Å
84	P	98.7	Very high	98.7	Very high	45 Å²	45	33.5 Å²	33.5	29%	0.292	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-62.6	-6	176.9	-24.8	35.4	0	0	0	116.3	Y82 A346 K418	Y82-P84 VanDerWaalsContact C-N 3.29Å; Y82-P84 HydrophobicContact CD2-CG 4.24Å; Y82-P84 HydrophobicContact CE1-CB 4.23Å; Y82-P84 HydrophobicContact CE2-CB 4.04Å; Y82-P84 HydrophobicContact CE2-CG 3.8Å; Y82-P84 WeakPolarHBondContact O-CD 3.11Å; Y82-P84 VanDerWaalsContact O-N 3.11Å; P84-A346 HydrophobicContact CG-CB 4.19Å; P84-K418 PolarHBondContact O-NZ 2.83Å
85	I	98.6	Very high	98.7	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-87.8	-19	170	-148.4	61.6	0	0	0	113.2	Y82 Q83 T87 L88 V89 K94 S99 P423	Y82-I85 HydrophobicContact CD1-CB 3.84Å; Y82-I85 HydrophobicContact CD1-CG2 4.33Å; Y82-I85 HydrophobicContact CE1-CB 4.06Å; Y82-I85 HydrophobicContact CE1-CD1 4.49Å; Y82-I85 WeakPolarHBondContact O-CG2 3.22Å; Y82-I85 PolarHBondContact O-N 3.32Å; Y82-I85 VanDerWaalsContact O-N 3.12Å; Q83-I85 PolarHBondContact O-N 2.99Å; I85-T87 PolarHBondContact O-N 3.22Å; I85-T87 VanDerWaalsContact O-N 3.15Å; I85-L88 HydrophobicContact CD1-CD1 4.04Å; I85-L88 WeakPolarHBondContact O-CA 3.39Å; I85-L88 PolarHBondContact O-N 3.43Å; I85-V89 HydrophobicContact CG2-CG2 4.29Å; I85-V89 PolarHBondContact O-N 3.02Å; I85-V89 VanDerWaalsContact O-N 3.14Å; I85-K94 HydrophobicContact CD1-CG 3.97Å; I85-K94 HydrophobicContact CG1-CB 4.1Å; I85-K94 HydrophobicContact CG1-CG 3.95Å; I85-S99 WeakPolarHBondContact CG2-OG 3.39Å; I85-P423 HydrophobicContact CD1-CG 4.04Å
86	W	98.9	Very high	98.7	Very high	15 Å²	15	39.2 Å²	39.2	6%	0.057	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-27.5	-178.2	-69.1	-9.9	0	0	0	113.6	F81 Q83 L88 V89 G90 S99 Y170 V172 V175	F81-W86 HydrophobicContact CB-CH2 4.43Å; F81-W86 HydrophobicContact CB-CZ2 3.78Å; F81-W86 AromaticContact CD1-CZ2 3.77Å; F81-W86 HydrophobicContact CD1-CZ2 3.77Å; F81-W86 HydrophobicContact CD2-CZ2 4.28Å; F81-W86 HydrophobicContact CE1-CZ2 4.36Å; F81-W86 HydrophobicContact CG-CH2 4.48Å; F81-W86 AromaticContact CG-CZ2 3.7Å; F81-W86 HydrophobicContact CG-CZ2 3.7Å; Q83-W86 HydrophobicContact CB-CD2 4.37Å; Q83-W86 HydrophobicContact CB-CE3 4.15Å; Q83-W86 HydrophobicContact CB-CZ3 4.38Å; Q83-W86 HydrophobicContact CG-CD2 4.33Å; Q83-W86 HydrophobicContact CG-CE3 3.98Å; Q83-W86 HydrophobicContact CG-CH2 3.82Å; Q83-W86 HydrophobicContact CG-CZ2 4.17Å; Q83-W86 HydrophobicContact CG-CZ3 3.72Å; Q83-W86 VanDerWaalsContact O-CB 3.29Å; Q83-W86 WeakPolarHBondContact O-CB 3.49Å; Q83-W86 PolarHBondContact O-N 2.96Å; W86-L88 VanDerWaalsContact C-N 3.26Å; W86-L88 PolarHBondContact O-N 2.91Å; W86-V89 PolarHBondContact O-N 3.19Å; W86-G90 PolarHBondContact O-N 3.02Å; W86-S99 PolarHBondContact NE1-OG 3.19Å; W86-Y170 WeakPolarHBondContact CZ3-O 3.37Å; W86-V172 HydrophobicContact CH2-CB 4.06Å; W86-V172 HydrophobicContact CZ2-CB 3.94Å; W86-V172 HydrophobicContact CZ2-CG2 4.45Å; W86-V175 HydrophobicContact CB-CG2 3.9Å; W86-V175 HydrophobicContact CG-CG2 4.35Å; W86-V175 WeakPolarHBondContact O-CG2 3.32Å
87	T	98.8	Very high	98.7	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-56.5	-36.5	168.4	-52.2	0	0	0	0	113.2	I85 K207 L211	I85-T87 PolarHBondContact O-N 3.22Å; I85-T87 VanDerWaalsContact O-N 3.15Å; T87-K207 HydrophobicContact CG2-CB 3.53Å; T87-K207 HydrophobicContact CG2-CD 4.08Å; T87-K207 HydrophobicContact CG2-CG 4.41Å; T87-L211 HydrophobicContact CG2-CD1 4Å
88	L	98.8	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-87.4	-24.9	177.1	-61.2	-173.9	0	0	0	112.3	I85 W86 A91 G92 A93 K94 L211 V382 Y415 K418 A419	I85-L88 HydrophobicContact CD1-CD1 4.04Å; I85-L88 WeakPolarHBondContact O-CA 3.39Å; I85-L88 PolarHBondContact O-N 3.43Å; W86-L88 VanDerWaalsContact C-N 3.26Å; W86-L88 PolarHBondContact O-N 2.91Å; L88-A91 CarbonylContact O-C 3.13Å; L88-A91 PolarHBondContact O-N 3.29Å; L88-G92 PolarHBondContact O-N 2.86Å; L88-A93 HydrophobicContact CB-CB 4.19Å; L88-A93 PolarHBondContact O-N 3.1Å; L88-K94 HydrophobicContact CB-CB 4.12Å; L88-K94 HydrophobicContact CB-CG 3.79Å; L88-K94 HydrophobicContact CD1-CG 4.01Å; L88-K94 PolarHBondContact O-N 2.79Å; L88-L211 HydrophobicContact CD2-CD1 4.07Å; L88-V382 HydrophobicContact CD2-CG1 4.17Å; L88-V382 HydrophobicContact CD2-CG2 4.32Å; L88-Y415 HydrophobicContact CD2-CE2 4.27Å; L88-K418 HydrophobicContact CD1-CD 4.17Å; L88-A419 HydrophobicContact CD1-CB 3.83Å
89	V	98.9	Very high	98.6	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-48.9	173	179.9	0	0	0	0	110.9	I85 W86 A91 G92 K94 L96 V175 E176	I85-V89 HydrophobicContact CG2-CG2 4.29Å; I85-V89 PolarHBondContact O-N 3.02Å; I85-V89 VanDerWaalsContact O-N 3.14Å; W86-V89 PolarHBondContact O-N 3.19Å; V89-A91 PolarHBondContact O-N 2.69Å; V89-G92 PolarHBondContact O-N 3.4Å; V89-K94 WeakPolarHBondContact CA-O 3.36Å; V89-K94 HydrophobicContact CG2-CB 4.27Å; V89-L96 HydrophobicContact CG1-CB 3.86Å; V89-L96 HydrophobicContact CG1-CD1 4.34Å; V89-V175 HydrophobicContact CB-CG2 3.82Å; V89-V175 HydrophobicContact CG1-CG1 4.37Å; V89-V175 HydrophobicContact CG1-CG2 3.87Å; V89-E176 HydrophobicContact CG1-CG 4.14Å
90	G	98.8	Very high	98.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-5.9	175.3	0	0	0	0	0	114.9	W86 N169 V175 W179 I208	W86-G90 PolarHBondContact O-N 3.02Å; G90-N169 WeakPolarHBondContact CA-OD1 3.46Å; G90-V175 WeakPolarHBondContact CA-O 3.46Å; G90-W179 WeakPolarHBondContact O-CA 3.48Å; G90-W179 PolarHBondContact O-N 3.36Å; G90-I208 WeakPolarHBondContact O-CD1 3.34Å
91	A	98.8	Very high	98.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	10.8	173.2	0	0	0	0	0	112.8	L88 V89 A93 I208 L211 Y385	L88-A91 CarbonylContact O-C 3.13Å; L88-A91 PolarHBondContact O-N 3.29Å; V89-A91 PolarHBondContact O-N 2.69Å; A91-A93 PolarHBondContact O-N 2.72Å; A91-A93 VanDerWaalsContact O-N 3.1Å; A91-I208 HydrophobicContact CB-CD1 3.98Å; A91-L211 HydrophobicContact CB-CB 3.89Å; A91-L211 HydrophobicContact CB-CD1 3.8Å; A91-L211 HydrophobicContact CB-CD2 4.37Å; A91-L211 HydrophobicContact CB-CG 4.25Å; A91-Y385 HydrophobicContact CB-CE1 4.12Å; A91-Y385 WeakPolarHBondContact O-CE1 3.27Å; A91-Y385 PolarHBondContact O-OH 2.85Å
92	G	98.6	Very high	98.6	Very high	35 Å²	35	37.3 Å²	37.3	36%	0.361	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	6.8	177.4	0	0	0	0	0	116	L88 V89 W179	L88-G92 PolarHBondContact O-N 2.86Å; V89-G92 PolarHBondContact O-N 3.4Å; G92-W179 VanDerWaalsContact CA-CE2 3.46Å
93	A	98.5	Very high	98.6	Very high	36 Å²	36	36.7 Å²	36.7	30%	0.298	21%	0.214	S	C	.	.	S	Bend	trans	-90.7	-12.2	-175.7	0	0	0	0	0	114	L88 A91 Y385	L88-A93 HydrophobicContact CB-CB 4.19Å; L88-A93 PolarHBondContact O-N 3.1Å; A91-A93 PolarHBondContact O-N 2.72Å; A91-A93 VanDerWaalsContact O-N 3.1Å; A93-Y385 HydrophobicContact CB-CD1 4.1Å; A93-Y385 HydrophobicContact CB-CE1 4.14Å
94	K	98.7	Very high	98.6	Very high	61 Å²	61	36.6 Å²	36.6	27%	0.265	23%	0.225	S	C	.	.	S	Bend	trans	-145.5	157.9	173.2	-65.6	-65.9	-177.9	-177.5	0	109.9	I85 L88 V89 A419 D420	I85-K94 HydrophobicContact CD1-CG 3.97Å; I85-K94 HydrophobicContact CG1-CB 4.1Å; I85-K94 HydrophobicContact CG1-CG 3.95Å; L88-K94 HydrophobicContact CB-CB 4.12Å; L88-K94 HydrophobicContact CB-CG 3.79Å; L88-K94 HydrophobicContact CD1-CG 4.01Å; L88-K94 PolarHBondContact O-N 2.79Å; V89-K94 WeakPolarHBondContact CA-O 3.36Å; V89-K94 HydrophobicContact CG2-CB 4.27Å; K94-A419 VanDerWaalsContact CE-O 3.27Å; K94-A419 WeakPolarHBondContact CE-O 3.37Å; K94-D420 IonicContact NZ-OD1 2.69Å; K94-D420 PolarHBondContact NZ-OD1 2.95Å
95	Q	98.5	Very high	98.6	Very high	131 Å²	131	37.9 Å²	37.9	61%	0.612	24%	0.236	S	C	*	.			trans	-88.1	143.9	179.2	-66.4	-64.2	-15	0	0	112.2	S97 S98	Q95-S97 VanDerWaalsContact C-N 3.3Å; Q95-S97 PolarHBondContact O-N 2.65Å; Q95-S98 PolarHBondContact O-N 2.86Å; Q95-S98 PolarHBondContact O-OG 3.45Å
96	L	98.6	Very high	98.6	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.099	24%	0.239	C	C	.	.	S	Bend	trans	-63.1	-37.7	178.2	-176.9	55.4	0	0	0	112.1	V89 S98 S99 V172 V175 E176	V89-L96 HydrophobicContact CG1-CB 3.86Å; V89-L96 HydrophobicContact CG1-CD1 4.34Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 2.83Å; L96-S99 WeakPolarHBondContact O-CB 3.3Å; L96-S99 PolarHBondContact O-N 3.09Å; L96-S99 PolarHBondContact O-OG 2.68Å; L96-V172 HydrophobicContact CD1-CG2 4.32Å; L96-V172 HydrophobicContact CD2-CG2 4.01Å; L96-V175 HydrophobicContact CD1-CG1 3.66Å; L96-V175 HydrophobicContact CD2-CG1 3.99Å; L96-V175 HydrophobicContact CG-CG1 4.41Å; L96-E176 HydrophobicContact CB-CG 4.09Å; L96-E176 WeakPolarHBondContact CB-OE1 3.29Å; L96-E176 VanDerWaalsContact CD2-CD 3.45Å; L96-E176 HydrophobicContact CD2-CG 3.93Å; L96-E176 WeakPolarHBondContact CD2-OE2 3.35Å
97	S	98.1	Very high	98.6	Very high	88 Å²	88	38.9 Å²	38.9	62%	0.615	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-53.6	-42.2	179.3	55.5	0	0	0	0	113.1	Q95 S99 G100	Q95-S97 VanDerWaalsContact C-N 3.3Å; Q95-S97 PolarHBondContact O-N 2.65Å; S97-S99 PolarHBondContact O-N 2.89Å; S97-G100 PolarHBondContact O-N 3.16Å
98	S	97.5	Very high	98.6	Very high	73 Å²	73	39.1 Å²	39.1	51%	0.51	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-73.2	-9.1	178.8	68.9	0	0	0	0	114.2	Q95 L96 G100	Q95-S98 PolarHBondContact O-N 2.86Å; Q95-S98 PolarHBondContact O-OG 3.45Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 2.83Å; S98-G100 VanDerWaalsContact C-N 3.3Å; S98-G100 PolarHBondContact O-N 2.91Å
99	S	98.3	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-73.2	-18.9	175.6	-43.8	0	0	0	0	113.4	F81 Y82 I85 W86 L96 S97 W427	F81-S99 CarbonylContact C-O 3.52Å; F81-S99 WeakPolarHBondContact CA-O 3.34Å; Y82-S99 PolarHBondContact N-O 3.26Å; I85-S99 WeakPolarHBondContact CG2-OG 3.39Å; W86-S99 PolarHBondContact NE1-OG 3.19Å; L96-S99 WeakPolarHBondContact O-CB 3.3Å; L96-S99 PolarHBondContact O-N 3.09Å; L96-S99 PolarHBondContact O-OG 2.68Å; S97-S99 PolarHBondContact O-N 2.89Å; S99-W427 WeakPolarHBondContact O-CZ2 3.44Å
100	G	98.5	Very high	98.5	Very high	10 Å²	10	46.2 Å²	46.2	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	150.8	-167.8	0	0	0	0	0	115.3	R79 H80 S97 S98	R79-G100 PolarHBondContact NH2-O 3.32Å; H80-G100 CarbonylContact O-C 3.17Å; H80-G100 WeakPolarHBondContact O-CA 3.41Å; S97-G100 PolarHBondContact O-N 3.16Å; S98-G100 VanDerWaalsContact C-N 3.3Å; S98-G100 PolarHBondContact O-N 2.91Å
101	R	98.8	Very high	98.5	Very high	89 Å²	89	46.7 Å²	46.7	34%	0.336	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.8	179.8	-63	-173.8	-179.7	-170.4	-0.9	110	R79 H80 V106 W427	R79-R101 WeakPolarHBondContact CA-O 3.15Å; H80-R101 PolarHBondContact N-O 2.82Å; H80-R101 PolarHBondContact O-N 2.94Å; R101-V106 HydrophobicContact CB-CG1 4.24Å; R101-W427 HydrophobicContact CB-CH2 4.2Å; R101-W427 HydrophobicContact CB-CZ3 4.13Å; R101-W427 HydrophobicContact CG-CD2 4.44Å; R101-W427 HydrophobicContact CG-CE3 4.17Å; R101-W427 HydrophobicContact CG-CH2 3.85Å; R101-W427 HydrophobicContact CG-CZ2 4.11Å; R101-W427 HydrophobicContact CG-CZ3 3.88Å
102	P	98.8	Very high	98.5	Very high	77 Å²	77	50.8 Å²	50.8	50%	0.5	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	139	168.1	-23.1	33.7	0	0	0	111	E78 A104 S105	E78-P102 CarbonylContact O-C 3.56Å; E78-P102 WeakPolarHBondContact O-CA 3.45Å; P102-A104 VanDerWaalsContact C-N 3.34Å; P102-A104 PolarHBondContact O-N 3.37Å; P102-S105 WeakPolarHBondContact O-CB 3.29Å; P102-S105 PolarHBondContact O-N 3.43Å; P102-S105 PolarHBondContact O-OG 2.71Å
103	M	98.8	Very high	98.5	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-57.9	-47.2	-177.8	-168.6	56.4	70.2	0	0	111.1	I56 E75 S77 E78 H80 S105 V106 I107 W113	I56-M103 HydrophobicContact CD1-SD 4.27Å; E75-M103 HydrophobicContact CG-CE 3.65Å; E75-M103 HydrophobicContact CG-CG 4.15Å; E75-M103 HydrophobicContact CG-SD 4.12Å; S77-M103 VanDerWaalsContact O-CB 3.28Å; S77-M103 WeakPolarHBondContact O-CB 3.41Å; S77-M103 WeakPolarHBondContact O-CE 3.45Å; S77-M103 WeakPolarHBondContact O-CG 3.49Å; E78-M103 PolarHBondContact O-N 2.86Å; H80-M103 HydrophobicContact CB-CE 3.66Å; H80-M103 HydrophobicContact CB-SD 3.93Å; M103-S105 PolarHBondContact O-N 3.42Å; M103-V106 VanDerWaalsContact O-CG2 3.24Å; M103-V106 WeakPolarHBondContact O-CG2 3.4Å; M103-V106 PolarHBondContact O-N 3.05Å; M103-V106 HydrophobicContact SD-CG2 4.1Å; M103-I107 HydrophobicContact CG-CD1 4.47Å; M103-I107 HydrophobicContact CG-CG1 4.34Å; M103-I107 WeakPolarHBondContact O-CG1 3.39Å; M103-I107 PolarHBondContact O-N 3.08Å; M103-W113 HydrophobicContact CB-CH2 3.88Å; M103-W113 HydrophobicContact CB-CZ2 3.69Å; M103-W113 HydrophobicContact CB-CZ3 4.43Å; M103-W113 HydrophobicContact CG-CD2 4.31Å; M103-W113 HydrophobicContact CG-CH2 4.43Å; M103-W113 HydrophobicContact CG-CZ2 3.8Å
104	A	98.6	Very high	98.5	Very high	66 Å²	66	51.4 Å²	51.4	55%	0.545	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-53.5	-26.7	174	0	0	0	0	0	114.8	P102 V106 W113	P102-A104 VanDerWaalsContact C-N 3.34Å; P102-A104 PolarHBondContact O-N 3.37Å; A104-V106 VanDerWaalsContact C-N 3.31Å; A104-V106 PolarHBondContact O-N 3.1Å; A104-W113 HydrophobicContact CB-CE3 4.09Å; A104-W113 HydrophobicContact CB-CZ3 3.9Å
105	S	98.6	Very high	98.5	Very high	72 Å²	72	53.9 Å²	53.9	50%	0.503	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-82.1	-4.9	177.3	76.6	0	0	0	0	114.6	P102 M103	P102-S105 WeakPolarHBondContact O-CB 3.29Å; P102-S105 PolarHBondContact O-N 3.43Å; P102-S105 PolarHBondContact O-OG 2.71Å; M103-S105 PolarHBondContact O-N 3.42Å
106	V	98.8	Very high	98.5	Very high	17 Å²	17	47.9 Å²	47.9	10%	0.103	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-12.7	177.3	-59.7	0	0	0	0	114	I56 H80 R101 M103 A104 W427 L431	I56-V106 WeakPolarHBondContact CG2-O 3.15Å; H80-V106 HydrophobicContact CB-CG2 3.63Å; R101-V106 HydrophobicContact CB-CG1 4.24Å; M103-V106 VanDerWaalsContact O-CG2 3.24Å; M103-V106 WeakPolarHBondContact O-CG2 3.4Å; M103-V106 PolarHBondContact O-N 3.05Å; M103-V106 HydrophobicContact SD-CG2 4.1Å; A104-V106 VanDerWaalsContact C-N 3.31Å; A104-V106 PolarHBondContact O-N 3.1Å; V106-W427 HydrophobicContact CG1-CE3 4.09Å; V106-W427 HydrophobicContact CG1-CZ3 3.95Å; V106-L431 HydrophobicContact CB-CD1 4.01Å; V106-L431 HydrophobicContact CG1-CD1 3.99Å
107	I	98.8	Very high	98.5	Very high	23 Å²	23	52.9 Å²	52.9	12%	0.118	31%	0.311	C	S	.	.	S	Bend	trans	-54	129.9	162.4	-66.6	-74.1	0	0	0	108.4	I56 V73 M103 S109 V111 W113	I56-I107 HydrophobicContact CD1-CD1 3.76Å; I56-I107 HydrophobicContact CD1-CG1 4.46Å; V73-I107 HydrophobicContact CB-CD1 3.98Å; V73-I107 HydrophobicContact CG1-CD1 4.22Å; V73-I107 HydrophobicContact CG2-CD1 4.23Å; M103-I107 HydrophobicContact CG-CD1 4.47Å; M103-I107 HydrophobicContact CG-CG1 4.34Å; M103-I107 WeakPolarHBondContact O-CG1 3.39Å; M103-I107 PolarHBondContact O-N 3.08Å; I107-S109 PolarHBondContact O-N 3.18Å; I107-V111 HydrophobicContact CG2-CB 4.27Å; I107-V111 WeakPolarHBondContact CG2-O 3.46Å; I107-W113 HydrophobicContact CD1-CB 3.85Å; I107-W113 HydrophobicContact CD1-CG 3.89Å; I107-W113 HydrophobicContact CG1-CB 3.94Å; I107-W113 HydrophobicContact CG1-CD2 4.41Å; I107-W113 HydrophobicContact CG1-CG 4.03Å; I107-W113 HydrophobicContact CG2-CB 4.44Å
108	P	98.8	Very high	98.5	Very high	16 Å²	16	49 Å²	49	10%	0.104	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-64.5	132.6	178.2	-16.6	29.5	0	0	0	110.1	A59 A60 K63 G110 V111	A59-P108 HydrophobicContact CB-CG 4.01Å; A60-P108 HydrophobicContact CB-CB 4.4Å; A60-P108 HydrophobicContact CB-CG 3.88Å; K63-P108 HydrophobicContact CD-CB 4.03Å; P108-G110 PolarHBondContact O-N 3.16Å; P108-V111 HydrophobicContact CB-CB 4.47Å; P108-V111 HydrophobicContact CB-CG2 3.86Å; P108-V111 HydrophobicContact CG-CG2 4.23Å; P108-V111 VanDerWaalsContact O-CB 3.24Å; P108-V111 WeakPolarHBondContact O-CB 3.33Å; P108-V111 WeakPolarHBondContact O-CG2 3.39Å; P108-V111 PolarHBondContact O-N 2.82Å
109	S	98.3	Very high	98.5	Very high	94 Å²	94	49 Å²	49	66%	0.657	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	129.5	-171.5	50.9	0	0	0	0	113.8	K63 I107 V111	K63-S109 PolarHBondContact NZ-O 2.48Å; K63-S109 PolarHBondContact NZ-OG 2.94Å; I107-S109 PolarHBondContact O-N 3.18Å; S109-V111 VanDerWaalsContact C-N 3.29Å; S109-V111 PolarHBondContact O-N 2.98Å
110	G	98.1	Very high	98.5	Very high	59 Å²	59	53.3 Å²	53.3	61%	0.608	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	4.4	-178.1	0	0	0	0	0	115.8	A68 E69 P108	A68-G110 CarbonylContact C-O 3.6Å; A68-G110 VanDerWaalsContact CB-O 3.31Å; A68-G110 WeakPolarHBondContact CB-O 3.37Å; E69-G110 PolarHBondContact N-O 2.86Å; P108-G110 PolarHBondContact O-N 3.16Å
111	V	98.7	Very high	98.6	Very high	10 Å²	10	53 Å²	53	6%	0.061	29%	0.293	C	S	.	.	S	Bend	trans	-85.3	137.7	164.3	173.8	0	0	0	0	108.3	A59 K63 A68 V71 V73 I107 P108 S109	A59-V111 HydrophobicContact CB-CG1 4.44Å; K63-V111 HydrophobicContact CB-CG2 4.1Å; K63-V111 HydrophobicContact CD-CG2 4.17Å; A68-V111 HydrophobicContact CB-CG2 4.28Å; V71-V111 HydrophobicContact CB-CG1 4.03Å; V71-V111 HydrophobicContact CB-CG2 4.2Å; V71-V111 HydrophobicContact CG1-CG1 3.86Å; V71-V111 HydrophobicContact CG1-CG2 4.49Å; V71-V111 WeakPolarHBondContact O-CG1 3.34Å; V73-V111 HydrophobicContact CG2-CG1 3.96Å; I107-V111 HydrophobicContact CG2-CB 4.27Å; I107-V111 WeakPolarHBondContact CG2-O 3.46Å; P108-V111 HydrophobicContact CB-CB 4.47Å; P108-V111 HydrophobicContact CB-CG2 3.86Å; P108-V111 HydrophobicContact CG-CG2 4.23Å; P108-V111 VanDerWaalsContact O-CB 3.24Å; P108-V111 WeakPolarHBondContact O-CB 3.33Å; P108-V111 WeakPolarHBondContact O-CG2 3.39Å; P108-V111 PolarHBondContact O-N 2.82Å; S109-V111 VanDerWaalsContact C-N 3.29Å; S109-V111 PolarHBondContact O-N 2.98Å
112	E	98.6	Very high	98.5	Very high	88 Å²	88	50.3 Å²	50.3	41%	0.411	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.7	178.6	-165.1	73.4	-110.2	0	0	111.1	Y44 V71 A72 V73 I114	Y44-E112 HydrophobicContact CE1-CB 4.01Å; Y44-E112 HydrophobicContact CE1-CG 4.42Å; Y44-E112 WeakPolarHBondContact OH-CG 3.44Å; V71-E112 PolarHBondContact O-N 2.79Å; V71-E112 VanDerWaalsContact O-N 3.14Å; A72-E112 HydrophobicContact CB-CB 3.83Å; V73-E112 PolarHBondContact N-O 2.84Å; E112-I114 HydrophobicContact CG-CG1 3.88Å
113	W	98.6	Very high	98.5	Very high	64 Å²	64	46.8 Å²	46.8	24%	0.242	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	98.8	168.7	177.2	26.6	0	0	0	110	E75 M103 A104 I107 K115	E75-W113 PolarHBondContact O-NE1 2.95Å; M103-W113 HydrophobicContact CB-CH2 3.88Å; M103-W113 HydrophobicContact CB-CZ2 3.69Å; M103-W113 HydrophobicContact CB-CZ3 4.43Å; M103-W113 HydrophobicContact CG-CD2 4.31Å; M103-W113 HydrophobicContact CG-CH2 4.43Å; M103-W113 HydrophobicContact CG-CZ2 3.8Å; A104-W113 HydrophobicContact CB-CE3 4.09Å; A104-W113 HydrophobicContact CB-CZ3 3.9Å; I107-W113 HydrophobicContact CD1-CB 3.85Å; I107-W113 HydrophobicContact CD1-CG 3.89Å; I107-W113 HydrophobicContact CG1-CB 3.94Å; I107-W113 HydrophobicContact CG1-CD2 4.41Å; I107-W113 HydrophobicContact CG1-CG 4.03Å; I107-W113 HydrophobicContact CG2-CB 4.44Å; W113-K115 HydrophobicContact CH2-CD 4.21Å; W113-K115 HydrophobicContact CH2-CG 4.21Å; W113-K115 HydrophobicContact CZ2-CB 4.17Å; W113-K115 HydrophobicContact CZ2-CD 4.19Å; W113-K115 HydrophobicContact CZ2-CG 3.68Å; W113-K115 PolarHBondContact O-N 3.26Å
114	I	98.4	Very high	98.5	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.097	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	99.3	175.8	-56.4	-179.2	0	0	0	107.1	Y44 A72 V73 V74 E75 E112 A116 I136	Y44-I114 HydrophobicContact CE2-CD1 3.82Å; A72-I114 HydrophobicContact CB-CD1 3.92Å; A72-I114 HydrophobicContact CB-CG1 4.39Å; V73-I114 PolarHBondContact O-N 3.43Å; V74-I114 WeakPolarHBondContact CA-O 3.38Å; V74-I114 HydrophobicContact CG2-CB 4.2Å; V74-I114 HydrophobicContact CG2-CD1 4.37Å; V74-I114 HydrophobicContact CG2-CG2 4.41Å; E75-I114 PolarHBondContact N-O 3.48Å; E112-I114 HydrophobicContact CG-CG1 3.88Å; I114-A116 HydrophobicContact CG2-CB 4.33Å; I114-A116 PolarHBondContact O-N 3.49Å; I114-I136 HydrophobicContact CD1-CD1 3.68Å; I114-I136 HydrophobicContact CD1-CG1 4.46Å; I114-I136 HydrophobicContact CG2-CD1 4.01Å
115	K	98.2	Very high	98.5	Very high	114 Å²	114	55.8 Å²	55.8	50%	0.496	29%	0.294	S	S	.	.			trans	-79.3	60.5	-176.4	-167.2	-162.4	174.1	-171.5	0	112	E75 E78 W113	E75-K115 WeakPolarHBondContact O-CA 3.49Å; E78-K115 IonicContact OE1-NZ 2.74Å; E78-K115 PolarHBondContact OE1-NZ 2.86Å; W113-K115 HydrophobicContact CH2-CD 4.21Å; W113-K115 HydrophobicContact CH2-CG 4.21Å; W113-K115 HydrophobicContact CZ2-CB 4.17Å; W113-K115 HydrophobicContact CZ2-CD 4.19Å; W113-K115 HydrophobicContact CZ2-CG 3.68Å; W113-K115 PolarHBondContact O-N 3.26Å
116	A	98.3	Very high	98.5	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.033	29%	0.285	C	S	.	.	S	Bend	trans	-137.5	168	176.5	0	0	0	0	0	110.3	V74 E75 P76 I114 T130	V74-A116 VanDerWaalsContact CG1-O 3.3Å; V74-A116 WeakPolarHBondContact CG1-O 3.38Å; E75-A116 CarbonylContact C-O 3.59Å; E75-A116 PolarHBondContact N-O 2.94Å; P76-A116 VanDerWaalsContact CD-O 3.32Å; P76-A116 WeakPolarHBondContact CD-O 3.41Å; I114-A116 HydrophobicContact CG2-CB 4.33Å; I114-A116 PolarHBondContact O-N 3.49Å; A116-T130 HydrophobicContact CB-CG2 3.96Å
117	R	98.6	Very high	98.5	Very high	125 Å²	125	54.6 Å²	54.6	47%	0.472	28%	0.282	S	S	.	.			trans	-103.7	137.8	174.7	-179.4	-174.8	55.8	100.1	4.8	109.2	P76 T130 D131	P76-R117 HydrophobicContact CB-CB 4.22Å; P76-R117 HydrophobicContact CG-CB 4.01Å; P76-R117 HydrophobicContact CG-CG 4.49Å; R117-T130 CarbonylContact O-C 3.57Å; R117-T130 WeakPolarHBondContact O-CA 3.06Å; R117-D131 WeakPolarHBondContact CB-OD1 3.4Å; R117-D131 WeakPolarHBondContact CB-OD2 3.38Å; R117-D131 IonicContact CZ-OD2 2.71Å; R117-D131 PolarHBondContact N-OD1 2.88Å; R117-D131 IonicContact NE-OD2 2.69Å; R117-D131 PolarHBondContact NE-OD2 3.17Å; R117-D131 IonicContact NH2-OD2 2.92Å; R117-D131 PolarHBondContact NH2-OD2 3.37Å; R117-D131 PolarHBondContact O-N 3.01Å
118	V	98.4	Very high	98.5	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.8	172.5	-172.1	0	0	0	0	109.8	L49 V74 E120 L121 I128 H129 V303	L49-V118 HydrophobicContact CB-CG2 4.27Å; L49-V118 HydrophobicContact CD1-CG1 4.43Å; L49-V118 HydrophobicContact CD1-CG2 4.19Å; L49-V118 HydrophobicContact CD2-CG2 3.85Å; L49-V118 HydrophobicContact CG-CG2 4.32Å; V74-V118 HydrophobicContact CB-CG2 4.24Å; V74-V118 HydrophobicContact CG1-CG2 3.72Å; V118-E120 WeakPolarHBondContact CG1-O 3.14Å; V118-L121 HydrophobicContact CG1-CD1 3.7Å; V118-L121 HydrophobicContact CG1-CG 4.12Å; V118-I128 HydrophobicContact CG1-CB 4.31Å; V118-H129 WeakPolarHBondContact CA-O 3.36Å; V118-V303 HydrophobicContact CG1-CG2 4.12Å
119	I	98.2	Very high	98.5	Very high	75 Å²	75	55.1 Å²	55.1	39%	0.385	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-25.3	176.7	60.8	171.9	0	0	0	113.9	H129 T130 D131 V303	I119-H129 HydrophobicContact CD1-CB 4.38Å; I119-H129 HydrophobicContact CG1-CB 3.9Å; I119-H129 WeakPolarHBondContact CG1-O 3.33Å; I119-H129 PolarHBondContact N-O 2.83Å; I119-T130 WeakPolarHBondContact CD1-O 3.14Å; I119-D131 HydrophobicContact CG2-CB 3.71Å; I119-V303 WeakPolarHBondContact O-CG2 3.09Å
120	E	98.5	Very high	98.5	Very high	90 Å²	90	50.6 Å²	50.6	42%	0.421	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.1	173	-160.9	-166.3	122	0	0	109.8	V118 N122 I128 H129	V118-E120 WeakPolarHBondContact CG1-O 3.14Å; E120-N122 PolarHBondContact OE1-ND2 3.28Å; E120-I128 WeakPolarHBondContact O-CA 3.4Å; E120-I128 WeakPolarHBondContact O-CB 3.47Å; E120-H129 HydrophobicContact CB-CB 4.06Å; E120-H129 PolarHBondContact N-O 3.44Å; E120-H129 PolarHBondContact O-N 3.14Å
121	L	98.8	Very high	98.5	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.4	165.6	-58.2	75.5	0	0	0	108.3	L49 V118 P123 I128 L141 I143 V303 L304 V309	L49-L121 HydrophobicContact CD1-CD2 3.61Å; L49-L121 HydrophobicContact CD1-CG 4.07Å; V118-L121 HydrophobicContact CG1-CD1 3.7Å; V118-L121 HydrophobicContact CG1-CG 4.12Å; L121-P123 VanDerWaalsContact C-CD 3.49Å; L121-P123 WeakPolarHBondContact O-CD 3.39Å; L121-I128 HydrophobicContact CB-CG2 4.12Å; L121-I128 HydrophobicContact CG-CG2 3.92Å; L121-L141 HydrophobicContact CD2-CD2 4.21Å; L121-I143 HydrophobicContact CD2-CD1 3.64Å; L121-I143 HydrophobicContact CD2-CG1 4.37Å; L121-V303 HydrophobicContact CD1-CG2 3.73Å; L121-L304 HydrophobicContact CD1-CD2 4.23Å; L121-L304 HydrophobicContact CD2-CD2 4.12Å; L121-V309 HydrophobicContact CD2-CG1 4.48Å; L121-V309 HydrophobicContact CD2-CG2 4.06Å
122	N	98.6	Very high	98.2	Very high	33 Å²	33	54.4 Å²	54.4	18%	0.176	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	78.5	179.4	-158.6	-63.1	0	0	0	109.4	E120 D124 K125 N126 C127	E120-N122 PolarHBondContact OE1-ND2 3.28Å; N122-D124 VanDerWaalsContact C-N 3.31Å; N122-D124 PolarHBondContact O-N 3.39Å; N122-K125 CarbonylContact O-C 3.55Å; N122-K125 PolarHBondContact O-N 2.95Å; N122-K125 WeakPolarHBondContact OD1-CB 3.48Å; N122-K125 WeakPolarHBondContact OD1-CG 3.38Å; N122-K125 PolarHBondContact OD1-N 3.21Å; N122-N126 PolarHBondContact O-N 3.34Å; N122-N126 VanDerWaalsContact O-N 3.12Å; N122-C127 CarbonylContact C-O 3.51Å; N122-C127 WeakPolarHBondContact CA-O 3.39Å; N122-C127 PolarHBondContact N-O 3.42Å; N122-C127 PolarHBondContact O-N 2.78Å; N122-C127 VanDerWaalsContact O-N 3.12Å
123	P	98.5	Very high	98	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.013	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-67.4	-29.1	-173.4	28.2	-36.1	0	0	0	113.3	L121 K125 N126 Y138 P308 V309 Y328 V331	L121-P123 VanDerWaalsContact C-CD 3.49Å; L121-P123 WeakPolarHBondContact O-CD 3.39Å; P123-K125 PolarHBondContact O-N 2.82Å; P123-N126 PolarHBondContact O-N 3.03Å; P123-Y138 WeakPolarHBondContact CA-OH 3.47Å; P123-P308 HydrophobicContact CG-CB 3.85Å; P123-P308 HydrophobicContact CG-CG 4.43Å; P123-V309 HydrophobicContact CB-CG1 4.04Å; P123-V309 HydrophobicContact CG-CG1 3.83Å; P123-Y328 HydrophobicContact CB-CD1 4.06Å; P123-Y328 HydrophobicContact CB-CD2 3.56Å; P123-Y328 HydrophobicContact CB-CE1 4.08Å; P123-Y328 HydrophobicContact CB-CE2 3.66Å; P123-Y328 HydrophobicContact CB-CG 3.82Å; P123-Y328 HydrophobicContact CG-CD1 4.5Å; P123-Y328 HydrophobicContact CG-CD2 3.69Å; P123-Y328 HydrophobicContact CG-CE1 4.08Å; P123-Y328 HydrophobicContact CG-CE2 3.23Å; P123-Y328 HydrophobicContact CG-CG 4.34Å; P123-Y328 VanDerWaalsContact CG-CZ 3.44Å; P123-V331 HydrophobicContact CB-CG2 4.4Å
124	D	98.5	Very high	97.9	Very high	107 Å²	107	57.4 Å²	57.4	57%	0.572	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63.1	-27.9	176.6	-47.6	-69.2	0	0	0	112	N122 Y328	N122-D124 VanDerWaalsContact C-N 3.31Å; N122-D124 PolarHBondContact O-N 3.39Å; D124-Y328 WeakPolarHBondContact OD1-CE1 3.47Å; D124-Y328 PolarHBondContact OD1-OH 3.29Å; D124-Y328 PolarHBondContact OD2-OH 3.49Å
125	K	98.4	Very high	97.8	Very high	151 Å²	151	61.1 Å²	61.1	66%	0.657	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-101.6	3.1	173.5	-64.6	178.8	-177.3	175.9	0	114.1	N122 P123 C127	N122-K125 CarbonylContact O-C 3.55Å; N122-K125 PolarHBondContact O-N 2.95Å; N122-K125 WeakPolarHBondContact OD1-CB 3.48Å; N122-K125 WeakPolarHBondContact OD1-CG 3.38Å; N122-K125 PolarHBondContact OD1-N 3.21Å; P123-K125 PolarHBondContact O-N 2.82Å; K125-C127 VanDerWaalsContact C-N 3.32Å; K125-C127 PolarHBondContact O-N 3.02Å
126	N	98.8	Very high	97.8	Very high	59 Å²	59	55.8 Å²	55.8	32%	0.316	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	42.5	-176.9	-55.2	-78	0	0	0	114	N122 P123 S137 Y138 N330	N122-N126 PolarHBondContact O-N 3.34Å; N122-N126 VanDerWaalsContact O-N 3.12Å; P123-N126 PolarHBondContact O-N 3.03Å; N126-S137 CarbonylContact O-C 3.56Å; N126-S137 WeakPolarHBondContact O-CA 3.3Å; N126-Y138 HydrophobicContact CB-CD2 4.21Å; N126-Y138 HydrophobicContact CB-CE2 3.93Å; N126-Y138 VanDerWaalsContact O-CD1 3.3Å; N126-Y138 WeakPolarHBondContact O-CD1 3.48Å; N126-Y138 WeakPolarHBondContact O-CE1 3.13Å; N126-Y138 PolarHBondContact O-N 2.92Å; N126-N330 PolarHBondContact OD1-ND2 3.22Å
127	C	98.6	Very high	97.9	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.034	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.8	177.9	64.4	0	0	0	0	113.5	N122 K125 Q135 I136	N122-C127 CarbonylContact C-O 3.51Å; N122-C127 WeakPolarHBondContact CA-O 3.39Å; N122-C127 PolarHBondContact N-O 3.42Å; N122-C127 PolarHBondContact O-N 2.78Å; N122-C127 VanDerWaalsContact O-N 3.12Å; K125-C127 VanDerWaalsContact C-N 3.32Å; K125-C127 PolarHBondContact O-N 3.02Å; C127-Q135 HydrophobicContact CB-CG 4.06Å; C127-I136 CarbonylContact C-O 3.59Å; C127-I136 VanDerWaalsContact CA-O 3.28Å; C127-I136 WeakPolarHBondContact CA-O 3.43Å; C127-I136 WeakPolarHBondContact CB-O 3.44Å
128	I	98.7	Very high	97.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	161.5	170.5	65.9	82	0	0	0	109.7	L47 L49 V118 E120 L121 T130 Q135 I136 Y138 L141	L47-I128 HydrophobicContact CD2-CD1 4.42Å; L47-I128 HydrophobicContact CD2-CG1 3.56Å; L49-I128 HydrophobicContact CD1-CG2 4.23Å; L49-I128 HydrophobicContact CD2-CG1 4.24Å; V118-I128 HydrophobicContact CG1-CB 4.31Å; E120-I128 WeakPolarHBondContact O-CA 3.4Å; E120-I128 WeakPolarHBondContact O-CB 3.47Å; L121-I128 HydrophobicContact CB-CG2 4.12Å; L121-I128 HydrophobicContact CG-CG2 3.92Å; I128-T130 HydrophobicContact CD1-CG2 3.75Å; I128-Q135 WeakPolarHBondContact O-CA 3.3Å; I128-I136 HydrophobicContact CD1-CB 4.08Å; I128-I136 HydrophobicContact CD1-CD1 3.97Å; I128-I136 HydrophobicContact CD1-CG1 4.47Å; I128-I136 HydrophobicContact CG1-CB 4.32Å; I128-I136 PolarHBondContact N-O 2.94Å; I128-I136 PolarHBondContact O-N 2.92Å; I128-Y138 HydrophobicContact CG2-CE1 4.06Å; I128-L141 HydrophobicContact CG2-CD1 4.4Å; I128-L141 HydrophobicContact CG2-CD2 4.4Å
129	H	98.3	Very high	97.9	Very high	50 Å²	50	57.4 Å²	57.4	23%	0.231	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.1	170.4	-70.1	-91.1	0	0	0	110.8	V118 I119 E120 E134 Q135	V118-H129 WeakPolarHBondContact CA-O 3.36Å; I119-H129 HydrophobicContact CD1-CB 4.38Å; I119-H129 HydrophobicContact CG1-CB 3.9Å; I119-H129 WeakPolarHBondContact CG1-O 3.33Å; I119-H129 PolarHBondContact N-O 2.83Å; E120-H129 HydrophobicContact CB-CB 4.06Å; E120-H129 PolarHBondContact N-O 3.44Å; E120-H129 PolarHBondContact O-N 3.14Å; H129-E134 WeakPolarHBondContact CA-O 3.27Å; H129-Q135 PolarHBondContact CE1-NE2 3.05Å; H129-Q135 PolarHBondContact NE2-NE2 2.76Å
130	T	98.4	Very high	97.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	161.9	178.9	36.3	0	0	0	0	112.7	V74 A116 R117 I119 I128 N132 D133 E134 I136	V74-T130 HydrophobicContact CG1-CG2 3.65Å; A116-T130 HydrophobicContact CB-CG2 3.96Å; R117-T130 CarbonylContact O-C 3.57Å; R117-T130 WeakPolarHBondContact O-CA 3.06Å; I119-T130 WeakPolarHBondContact CD1-O 3.14Å; I128-T130 HydrophobicContact CD1-CG2 3.75Å; T130-N132 WeakPolarHBondContact CB-OD1 3.48Å; T130-N132 PolarHBondContact O-N 3.1Å; T130-N132 PolarHBondContact OG1-OD1 2.83Å; T130-D133 PolarHBondContact O-N 2.74Å; T130-D133 VanDerWaalsContact O-N 3.13Å; T130-E134 PolarHBondContact N-O 2.62Å; T130-E134 VanDerWaalsContact N-O 3.15Å; T130-E134 PolarHBondContact OG1-O 3.2Å; T130-I136 HydrophobicContact CG2-CD1 4.25Å
131	D	97.5	Very high	97.9	Very high	77 Å²	77	50.3 Å²	50.3	41%	0.412	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	20.4	-178.6	61.7	-7.4	0	0	0	115.9	R117 I119	R117-D131 WeakPolarHBondContact CB-OD1 3.4Å; R117-D131 WeakPolarHBondContact CB-OD2 3.38Å; R117-D131 IonicContact CZ-OD2 2.71Å; R117-D131 PolarHBondContact N-OD1 2.88Å; R117-D131 IonicContact NE-OD2 2.69Å; R117-D131 PolarHBondContact NE-OD2 3.17Å; R117-D131 IonicContact NH2-OD2 2.92Å; R117-D131 PolarHBondContact NH2-OD2 3.37Å; R117-D131 PolarHBondContact O-N 3.01Å; I119-D131 HydrophobicContact CG2-CB 3.71Å
132	N	94.3	Very high	98	Very high	71 Å²	71	50.2 Å²	50.2	38%	0.38	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	21.2	165.9	65.2	-23.7	0	0	0	111.9	T130 E134	T130-N132 WeakPolarHBondContact CB-OD1 3.48Å; T130-N132 PolarHBondContact O-N 3.1Å; T130-N132 PolarHBondContact OG1-OD1 2.83Å; N132-E134 PolarHBondContact ND2-OE2 2.68Å; N132-E134 PolarHBondContact O-N 3.38Å; N132-E134 VanDerWaalsContact O-N 3.09Å
133	D	93.6	Very high	98	Very high	155 Å²	155	48.6 Å²	48.6	83%	0.829	24%	0.238	S	C	*	.	S	Bend	trans	61.4	9.6	-179.5	-58.6	-50.8	0	0	0	115.9	T130	T130-D133 PolarHBondContact O-N 2.74Å; T130-D133 VanDerWaalsContact O-N 3.13Å
134	E	95.5	Very high	98	Very high	61 Å²	61	48.9 Å²	48.9	29%	0.285	24%	0.241	S	C	.	.			trans	-75.6	144.4	173.9	-68.5	177.8	158.3	0	0	112.2	H129 T130 N132	H129-E134 WeakPolarHBondContact CA-O 3.27Å; T130-E134 PolarHBondContact N-O 2.62Å; T130-E134 VanDerWaalsContact N-O 3.15Å; T130-E134 PolarHBondContact OG1-O 3.2Å; N132-E134 PolarHBondContact ND2-OE2 2.68Å; N132-E134 PolarHBondContact O-N 3.38Å; N132-E134 VanDerWaalsContact O-N 3.09Å
135	Q	97.7	Very high	98	Very high	96 Å²	96	46 Å²	46	45%	0.449	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.3	166.2	-175.1	-179.6	69.9	0	0	108.9	C127 I128 H129	C127-Q135 HydrophobicContact CB-CG 4.06Å; I128-Q135 WeakPolarHBondContact O-CA 3.3Å; H129-Q135 PolarHBondContact CE1-NE2 3.05Å; H129-Q135 PolarHBondContact NE2-NE2 2.76Å
136	I	98.5	Very high	98	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.3	-176.2	-56.8	155	0	0	0	108.7	Y44 L47 V74 I114 C127 I128 T130	Y44-I136 HydrophobicContact CD2-CG2 3.94Å; Y44-I136 HydrophobicContact CE2-CG2 4.12Å; L47-I136 HydrophobicContact CD1-CG2 3.94Å; L47-I136 HydrophobicContact CD2-CB 4.31Å; L47-I136 HydrophobicContact CD2-CG2 3.8Å; V74-I136 HydrophobicContact CG2-CD1 4.48Å; I114-I136 HydrophobicContact CD1-CD1 3.68Å; I114-I136 HydrophobicContact CD1-CG1 4.46Å; I114-I136 HydrophobicContact CG2-CD1 4.01Å; C127-I136 CarbonylContact C-O 3.59Å; C127-I136 VanDerWaalsContact CA-O 3.28Å; C127-I136 WeakPolarHBondContact CA-O 3.43Å; C127-I136 WeakPolarHBondContact CB-O 3.44Å; I128-I136 HydrophobicContact CD1-CB 4.08Å; I128-I136 HydrophobicContact CD1-CD1 3.97Å; I128-I136 HydrophobicContact CD1-CG1 4.47Å; I128-I136 HydrophobicContact CG1-CB 4.32Å; I128-I136 PolarHBondContact N-O 2.94Å; I128-I136 PolarHBondContact O-N 2.92Å; T130-I136 HydrophobicContact CG2-CD1 4.25Å
137	S	98.8	Very high	98	Very high	37 Å²	37	37.6 Å²	37.6	26%	0.259	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	159.4	177.6	66.2	0	0	0	0	112.2	N42 H43 Y44 N126	N42-S137 PolarHBondContact O-N 3.43Å; N42-S137 PolarHBondContact O-OG 2.91Å; H43-S137 WeakPolarHBondContact CA-O 3.32Å; H43-S137 WeakPolarHBondContact CB-OG 2.95Å; H43-S137 PolarHBondContact ND1-OG 2.86Å; Y44-S137 PolarHBondContact N-O 2.86Å; N126-S137 CarbonylContact O-C 3.56Å; N126-S137 WeakPolarHBondContact O-CA 3.3Å
138	Y	98.8	Very high	98	Very high	6 Å²	6	40 Å²	40	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.4	-177.8	57	-100.3	0	0	0	113.3	Y44 L47 P123 N126 I128 L141 V331	Y44-Y138 VanDerWaalsContact O-CA 3.29Å; Y44-Y138 WeakPolarHBondContact O-CA 3.29Å; L47-Y138 HydrophobicContact CB-CG 4.45Å; L47-Y138 HydrophobicContact CD2-CD1 4Å; P123-Y138 WeakPolarHBondContact CA-OH 3.47Å; N126-Y138 HydrophobicContact CB-CD2 4.21Å; N126-Y138 HydrophobicContact CB-CE2 3.93Å; N126-Y138 VanDerWaalsContact O-CD1 3.3Å; N126-Y138 WeakPolarHBondContact O-CD1 3.48Å; N126-Y138 WeakPolarHBondContact O-CE1 3.13Å; N126-Y138 PolarHBondContact O-N 2.92Å; I128-Y138 HydrophobicContact CG2-CE1 4.06Å; Y138-L141 HydrophobicContact CD1-CB 4.24Å; Y138-L141 HydrophobicContact CD1-CD1 3.88Å; Y138-L141 HydrophobicContact CD1-CG 4.46Å; Y138-L141 HydrophobicContact CD2-CB 3.8Å; Y138-L141 HydrophobicContact CE1-CB 4.05Å; Y138-L141 HydrophobicContact CE1-CD1 3.93Å; Y138-L141 HydrophobicContact CE1-CD2 3.81Å; Y138-L141 HydrophobicContact CE1-CG 4.15Å; Y138-L141 HydrophobicContact CE2-CB 3.6Å; Y138-L141 HydrophobicContact CE2-CD2 4.49Å; Y138-L141 HydrophobicContact CG-CB 4.1Å; Y138-L141 HydrophobicContact CG-CD1 4.34Å; Y138-V331 HydrophobicContact CE2-CG2 4.39Å
139	R	98.8	Very high	98	Very high	126 Å²	126	41.9 Å²	41.9	48%	0.475	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-45	161.4	-170.2	-173.8	-178.4	177	6.4	110.9	Y44 E45 N330	Y44-R139 PolarHBondContact O-N 3.46Å; Y44-R139 VanDerWaalsContact O-N 3.09Å; E45-R139 HydrophobicContact CG-CB 4.19Å; E45-R139 WeakPolarHBondContact O-CB 3.09Å; E45-R139 WeakPolarHBondContact OE1-CD 3.36Å; E45-R139 IonicContact OE1-CZ 3.87Å; E45-R139 IonicContact OE1-NE 2.71Å; E45-R139 IonicContact OE1-NH1 3.36Å; E45-R139 PolarHBondContact OE1-NH1 2.84Å; R139-N330 WeakPolarHBondContact O-CB 3.42Å; R139-N330 PolarHBondContact O-ND2 2.89Å
140	Y	98.9	Very high	98.1	Very high	16 Å²	16	39.8 Å²	39.8	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.3	175.9	-56.7	-73.4	0	0	0	111.5	E45 V46 L47 N330 F332 I363 M364	E45-Y140 HydrophobicContact CG-CD2 4.22Å; E45-Y140 HydrophobicContact CG-CE2 4.48Å; E45-Y140 PolarHBondContact O-N 3.18Å; V46-Y140 WeakPolarHBondContact CA-O 3.49Å; L47-Y140 PolarHBondContact N-O 3.22Å; Y140-N330 WeakPolarHBondContact CA-O 3.49Å; Y140-N330 HydrophobicContact CD1-CB 3.72Å; Y140-N330 HydrophobicContact CE1-CB 4.15Å; Y140-F332 HydrophobicContact CD1-CE2 4.07Å; Y140-I363 HydrophobicContact CE1-CG2 4.2Å; Y140-M364 HydrophobicContact CD2-CG 4.42Å; Y140-M364 HydrophobicContact CE2-CG 3.71Å
141	L	98.9	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.6	-179.2	-173.2	68.8	0	0	0	111.7	L47 L49 L121 I128 Y138 I143 N330 V331 F332	L47-L141 HydrophobicContact CB-CD1 3.94Å; L47-L141 HydrophobicContact CD2-CD1 4Å; L47-L141 HydrophobicContact CG-CD1 4.04Å; L47-L141 WeakPolarHBondContact O-CA 3.33Å; L49-L141 HydrophobicContact CD1-CD1 3.98Å; L49-L141 HydrophobicContact CD1-CD2 4.23Å; L49-L141 HydrophobicContact CD1-CG 4.42Å; L49-L141 HydrophobicContact CD2-CD1 3.92Å; L49-L141 HydrophobicContact CG-CD1 3.77Å; L121-L141 HydrophobicContact CD2-CD2 4.21Å; I128-L141 HydrophobicContact CG2-CD1 4.4Å; I128-L141 HydrophobicContact CG2-CD2 4.4Å; Y138-L141 HydrophobicContact CD1-CB 4.24Å; Y138-L141 HydrophobicContact CD1-CD1 3.88Å; Y138-L141 HydrophobicContact CD1-CG 4.46Å; Y138-L141 HydrophobicContact CD2-CB 3.8Å; Y138-L141 HydrophobicContact CE1-CB 4.05Å; Y138-L141 HydrophobicContact CE1-CD1 3.93Å; Y138-L141 HydrophobicContact CE1-CD2 3.81Å; Y138-L141 HydrophobicContact CE1-CG 4.15Å; Y138-L141 HydrophobicContact CE2-CB 3.6Å; Y138-L141 HydrophobicContact CE2-CD2 4.49Å; Y138-L141 HydrophobicContact CG-CB 4.1Å; Y138-L141 HydrophobicContact CG-CD1 4.34Å; L141-I143 HydrophobicContact CD2-CD1 3.97Å; L141-I143 HydrophobicContact CD2-CG1 3.89Å; L141-I143 HydrophobicContact CG-CG1 4.03Å; L141-N330 PolarHBondContact N-O 2.99Å; L141-V331 HydrophobicContact CB-CG1 4.43Å; L141-V331 HydrophobicContact CB-CG2 4.2Å; L141-V331 HydrophobicContact CD2-CG1 4.19Å; L141-V331 HydrophobicContact CD2-CG2 4.37Å; L141-V331 CarbonylContact O-C 3.6Å; L141-F332 PolarHBondContact O-N 3.09Å
142	I	99	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.4	174	-54.8	178.6	0	0	0	109.4	V46 L47 V48 L49 M58 M62 I334 L356 I360	V46-I142 HydrophobicContact CG1-CD1 3.68Å; V46-I142 HydrophobicContact CG1-CG1 4.03Å; L47-I142 PolarHBondContact O-N 2.94Å; V48-I142 CarbonylContact C-O 3.57Å; V48-I142 WeakPolarHBondContact CA-O 3.28Å; V48-I142 HydrophobicContact CG1-CB 4.41Å; V48-I142 HydrophobicContact CG2-CB 4.33Å; V48-I142 HydrophobicContact CG2-CD1 4.43Å; L49-I142 PolarHBondContact N-O 2.88Å; M58-I142 HydrophobicContact CB-CD1 4.09Å; M58-I142 HydrophobicContact CB-CG2 4.13Å; M58-I142 HydrophobicContact CE-CD1 3.99Å; M58-I142 HydrophobicContact CG-CG2 4.12Å; M62-I142 HydrophobicContact CG-CD1 3.75Å; M62-I142 HydrophobicContact SD-CD1 4.26Å; I142-I334 HydrophobicContact CG2-CG2 4.11Å; I142-L356 HydrophobicContact CG2-CD2 4.28Å; I142-I360 HydrophobicContact CD1-CD1 3.62Å; I142-I360 HydrophobicContact CG1-CD1 4.05Å
143	I	98.9	Very high	98.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.3	-178.6	-49.8	-179.6	0	0	0	109.5	L49 L121 L141 L145 L304 V309 V316 V331 F332 G333 I334 C337	L49-I143 HydrophobicContact CD1-CG1 4.18Å; L121-I143 HydrophobicContact CD2-CD1 3.64Å; L121-I143 HydrophobicContact CD2-CG1 4.37Å; L141-I143 HydrophobicContact CD2-CD1 3.97Å; L141-I143 HydrophobicContact CD2-CG1 3.89Å; L141-I143 HydrophobicContact CG-CG1 4.03Å; I143-L145 HydrophobicContact CG2-CD1 4.03Å; I143-L145 HydrophobicContact CG2-CG 4.13Å; I143-L304 HydrophobicContact CG2-CD1 4.24Å; I143-L304 HydrophobicContact CG2-CD2 4.2Å; I143-V309 HydrophobicContact CD1-CB 4.18Å; I143-V309 HydrophobicContact CD1-CG1 4.27Å; I143-V309 HydrophobicContact CD1-CG2 3.72Å; I143-V316 HydrophobicContact CB-CG2 4.13Å; I143-V316 HydrophobicContact CD1-CG1 4.08Å; I143-V316 HydrophobicContact CD1-CG2 4.28Å; I143-V316 HydrophobicContact CG2-CG2 3.69Å; I143-V331 HydrophobicContact CD1-CG1 3.85Å; I143-V331 HydrophobicContact CG1-CG1 4.33Å; I143-F332 PolarHBondContact N-O 2.89Å; I143-G333 WeakPolarHBondContact O-CA 3.47Å; I143-I334 PolarHBondContact O-N 3.18Å; I143-C337 PolarHBondContact O-SG 2.83Å
144	A	98.9	Very high	98.6	Very high	8 Å²	8	37.9 Å²	37.9	7%	0.066	18%	0.181	C	C	.	.			trans	-134.3	25.2	-175.5	0	0	0	0	0	113	L49 G55 G146 I334	L49-A144 CarbonylContact O-C 3.41Å; L49-A144 VanDerWaalsContact O-C 3.27Å; L49-A144 WeakPolarHBondContact O-CA 3.31Å; L49-A144 WeakPolarHBondContact O-CB 3.35Å; L49-A144 PolarHBondContact O-N 3.09Å; G55-A144 VanDerWaalsContact N-CB 3.32Å; A144-G146 PolarHBondContact O-N 2.79Å; A144-I334 HydrophobicContact CB-CG2 3.65Å
145	L	98.9	Very high	98.7	Very high	46 Å²	46	41.4 Å²	41.4	24%	0.241	20%	0.195	C	C	.	.			trans	-63.7	-4.2	-171.8	-66.7	171.5	0	0	0	115.5	L49 I143 P301 V303 L304	L49-L145 HydrophobicContact CB-CD1 4.39Å; L49-L145 HydrophobicContact CB-CD2 3.95Å; L49-L145 HydrophobicContact CB-CG 4Å; L49-L145 PolarHBondContact O-N 3.11Å; I143-L145 HydrophobicContact CG2-CD1 4.03Å; I143-L145 HydrophobicContact CG2-CG 4.13Å; L145-P301 HydrophobicContact CB-CB 4.38Å; L145-P301 HydrophobicContact CB-CG 3.84Å; L145-V303 HydrophobicContact CD1-CG1 3.94Å; L145-L304 HydrophobicContact CB-CD1 4.43Å; L145-L304 HydrophobicContact CD1-CD1 4.08Å; L145-L304 HydrophobicContact CD1-CD2 4.15Å; L145-L304 HydrophobicContact CD1-CG 4.02Å
146	G	98.8	Very high	98.8	Very high	18 Å²	18	38.2 Å²	38.2	19%	0.186	19%	0.188	C	C	.	.			trans	73.2	-142.6	173.2	0	0	0	0	0	114.1	A144 P301 D336 C337	A144-G146 PolarHBondContact O-N 2.79Å; G146-P301 WeakPolarHBondContact O-CD 3.37Å; G146-D336 CarbonylContact O-C 3.12Å; G146-C337 WeakPolarHBondContact O-CA 3.05Å; G146-C337 WeakPolarHBondContact O-CB 3.37Å; G146-C337 PolarHBondContact O-N 3.35Å
147	I	98.8	Very high	98.8	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.082	19%	0.189	C	C	.	.			trans	-133.4	135.2	-177.3	-163.5	178.4	0	0	0	109.8	K200 M298 G299 W315 D336 K344	I147-K200 HydrophobicContact CG2-CB 3.94Å; I147-K200 HydrophobicContact CG2-CD 3.58Å; I147-K200 HydrophobicContact CG2-CG 3.8Å; I147-M298 HydrophobicContact CD1-CB 3.55Å; I147-M298 HydrophobicContact CD1-CG 4.47Å; I147-M298 HydrophobicContact CD1-SD 4.22Å; I147-M298 HydrophobicContact CG1-CB 3.91Å; I147-M298 HydrophobicContact CG2-SD 4.45Å; I147-G299 WeakPolarHBondContact CG1-O 3.28Å; I147-W315 HydrophobicContact CD1-CH2 3.8Å; I147-W315 HydrophobicContact CD1-CZ3 4.23Å; I147-W315 HydrophobicContact CG1-CH2 3.89Å; I147-W315 HydrophobicContact CG1-CZ3 3.99Å; I147-D336 HydrophobicContact CB-CB 3.84Å; I147-D336 HydrophobicContact CG2-CB 4.08Å; I147-K344 HydrophobicContact CD1-CD 4.22Å
148	Q	98.8	Very high	98.8	Very high	55 Å²	55	39.6 Å²	39.6	26%	0.257	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.2	179.5	-174.4	163.3	-26.1	0	0	110.7	H150 M298 G299 D302	Q148-H150 PolarHBondContact NE2-CE1 2.58Å; Q148-M298 WeakPolarHBondContact O-CA 3.14Å; Q148-M298 VanDerWaalsContact O-CB 3.28Å; Q148-M298 WeakPolarHBondContact O-CB 3.42Å; Q148-G299 PolarHBondContact N-O 3.45Å; Q148-G299 PolarHBondContact O-N 3.09Å; Q148-G299 VanDerWaalsContact O-N 3.14Å; Q148-D302 VanDerWaalsContact NE2-CG 3.34Å; Q148-D302 PolarHBondContact NE2-OD2 2.97Å; Q148-D302 VanDerWaalsContact OE1-CG 3.31Å; Q148-D302 PolarHBondContact OE1-OD2 3.35Å
149	L	98.8	Very high	98.8	Very high	39 Å²	39	45.2 Å²	45.2	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.8	175.7	-52.1	176.9	0	0	0	108.1	Y151 Y170 P296 M298	L149-Y151 HydrophobicContact CB-CD2 4.06Å; L149-Y151 HydrophobicContact CB-CE2 3.81Å; L149-Y151 HydrophobicContact CD1-CE2 3.84Å; L149-Y151 HydrophobicContact CG-CE2 4.46Å; L149-Y170 WeakPolarHBondContact CD1-O 3.15Å; L149-P296 HydrophobicContact CB-CG 4.22Å; L149-P296 HydrophobicContact CD2-CG 4.04Å; L149-M298 HydrophobicContact CD2-CE 4.16Å; L149-M298 HydrophobicContact CD2-CG 3.88Å; L149-M298 HydrophobicContact CD2-SD 3.72Å
150	H	98.6	Very high	98.8	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.032	20%	0.202	C	C	.	.			trans	-111.7	73.6	-178.3	-72.3	-63.5	0	0	0	109.5	Q148 E152 K153 P297 D302 K305	Q148-H150 PolarHBondContact NE2-CE1 2.58Å; H150-E152 VanDerWaalsContact C-N 3.32Å; H150-E152 VanDerWaalsContact C-OE2 3.28Å; H150-E152 VanDerWaalsContact CA-OE1 3.27Å; H150-E152 WeakPolarHBondContact CA-OE1 3.26Å; H150-E152 VanDerWaalsContact CA-OE2 3.29Å; H150-E152 WeakPolarHBondContact CA-OE2 3.26Å; H150-E152 VanDerWaalsContact CB-OE1 3.29Å; H150-E152 WeakPolarHBondContact CB-OE1 3.3Å; H150-E152 IonicContact CE1-OE1 3.28Å; H150-E152 IonicContact CG-OE1 2.7Å; H150-E152 IonicContact ND1-OE1 3.69Å; H150-E152 PolarHBondContact ND1-OE1 3.43Å; H150-K153 HydrophobicContact CB-CB 4.43Å; H150-K153 HydrophobicContact CB-CD 3.79Å; H150-K153 HydrophobicContact CB-CG 3.96Å; H150-P297 WeakPolarHBondContact CA-O 3.45Å; H150-P297 HydrophobicContact CB-CB 4.27Å; H150-P297 WeakPolarHBondContact CB-O 3.38Å; H150-P297 PolarHBondContact N-O 3.21Å; H150-P297 WeakPolarHBondContact O-CD 3.3Å; H150-D302 IonicContact CE1-OD1 3.85Å; H150-K305 PolarHBondContact CE1-NZ 3.06Å; H150-K305 VanDerWaalsContact CE1-NZ 3.28Å; H150-K305 PolarHBondContact NE2-NZ 3.43Å
151	Y	98.8	Very high	98.8	Very high	20 Å²	20	39.3 Å²	39.3	8%	0.078	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-68.7	-35.7	177.2	-73.6	-84.7	0	0	0	111.2	L149 K153 I154 F161 S168 S171 P296	L149-Y151 HydrophobicContact CB-CD2 4.06Å; L149-Y151 HydrophobicContact CB-CE2 3.81Å; L149-Y151 HydrophobicContact CD1-CE2 3.84Å; L149-Y151 HydrophobicContact CG-CE2 4.46Å; Y151-K153 PolarHBondContact O-N 2.84Å; Y151-K153 VanDerWaalsContact O-N 3.1Å; Y151-I154 PolarHBondContact O-N 3.41Å; Y151-F161 AromaticContact CD1-CE2 3.44Å; Y151-F161 HydrophobicContact CD1-CE2 3.44Å; Y151-F161 VanDerWaalsContact CD1-CE2 3.44Å; Y151-F161 AromaticContact CD1-CZ 3.65Å; Y151-F161 HydrophobicContact CD1-CZ 3.65Å; Y151-F161 AromaticContact CE1-CE2 3.72Å; Y151-F161 HydrophobicContact CE1-CE2 3.72Å; Y151-F161 AromaticContact CE1-CZ 3.6Å; Y151-F161 HydrophobicContact CE1-CZ 3.6Å; Y151-F161 HydrophobicContact CG-CE2 4.17Å; Y151-S168 PolarHBondContact OH-OG 3.45Å; Y151-S168 VanDerWaalsContact OH-OG 3.09Å; Y151-S171 WeakPolarHBondContact OH-CB 3.46Å; Y151-S171 PolarHBondContact OH-N 3.49Å; Y151-P296 HydrophobicContact CD1-CB 3.63Å; Y151-P296 HydrophobicContact CD1-CG 4.22Å; 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 3.71Å; Y151-P296 HydrophobicContact CE2-CB 4.13Å; Y151-P296 HydrophobicContact CE2-CG 3.95Å; Y151-P296 HydrophobicContact CG-CB 3.87Å
152	E	98.6	Very high	98.8	Very high	107 Å²	107	43.3 Å²	43.3	50%	0.5	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-63	-10.2	178.5	72.9	-64.6	155.7	0	0	114.6	H150 I154 L157	H150-E152 VanDerWaalsContact C-N 3.32Å; H150-E152 VanDerWaalsContact C-OE2 3.28Å; H150-E152 VanDerWaalsContact CA-OE1 3.27Å; H150-E152 WeakPolarHBondContact CA-OE1 3.26Å; H150-E152 VanDerWaalsContact CA-OE2 3.29Å; H150-E152 WeakPolarHBondContact CA-OE2 3.26Å; H150-E152 VanDerWaalsContact CB-OE1 3.29Å; H150-E152 WeakPolarHBondContact CB-OE1 3.3Å; H150-E152 IonicContact CE1-OE1 3.28Å; H150-E152 IonicContact CG-OE1 2.7Å; H150-E152 IonicContact ND1-OE1 3.69Å; H150-E152 PolarHBondContact ND1-OE1 3.43Å; E152-I154 VanDerWaalsContact C-N 3.31Å; E152-L157 WeakPolarHBondContact CA-O 3.45Å
153	K	98.6	Very high	98.8	Very high	134 Å²	134	46.8 Å²	46.8	58%	0.583	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-81.2	-8.8	169.8	-69.4	-172.5	-178.8	-166.6	0	113.7	H150 Y151 P297	H150-K153 HydrophobicContact CB-CB 4.43Å; H150-K153 HydrophobicContact CB-CD 3.79Å; H150-K153 HydrophobicContact CB-CG 3.96Å; Y151-K153 PolarHBondContact O-N 2.84Å; Y151-K153 VanDerWaalsContact O-N 3.1Å; K153-P297 HydrophobicContact CB-CB 4.34Å; K153-P297 HydrophobicContact CB-CG 4.16Å; K153-P297 HydrophobicContact CD-CB 4.43Å
154	I	98.9	Very high	98.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.277	C	S	.	.	S	Bend	trans	-102.6	115.7	167.5	-63.1	161.3	0	0	0	106.6	Y151 E152 G156 L157 L263 V266 V294 P297	Y151-I154 PolarHBondContact O-N 3.41Å; E152-I154 VanDerWaalsContact C-N 3.31Å; I154-G156 PolarHBondContact O-N 3.37Å; I154-L157 HydrophobicContact CB-CB 4.41Å; 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 3.76Å; I154-L157 HydrophobicContact CG2-CG 4.04Å; I154-L157 PolarHBondContact O-N 2.82Å; I154-L263 HydrophobicContact CD1-CD2 3.83Å; I154-L263 HydrophobicContact CD1-CG 4.3Å; I154-L263 HydrophobicContact CG2-CD2 4.17Å; I154-L263 HydrophobicContact CG2-CG 4.09Å; I154-V266 HydrophobicContact CG2-CG2 3.89Å; I154-V294 HydrophobicContact CD1-CG1 3.62Å; I154-P297 HydrophobicContact CD1-CG 4.43Å; I154-P297 HydrophobicContact CG1-CG 4.26Å
155	K	98.9	Very high	98.8	Very high	136 Å²	136	52.8 Å²	52.8	59%	0.591	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-58.2	128.4	-178.6	173.4	-179.2	157.7	-158.3	0	110.3	I264 E265 V266	K155-I264 PolarHBondContact N-O 2.99Å; K155-E265 HydrophobicContact CB-CB 4.03Å; K155-E265 HydrophobicContact CB-CG 4.11Å; K155-E265 HydrophobicContact CD-CB 4.45Å; K155-E265 HydrophobicContact CD-CG 4.02Å; K155-E265 WeakPolarHBondContact CD-OE2 3.28Å; K155-E265 VanDerWaalsContact CE-OE2 3.27Å; K155-E265 WeakPolarHBondContact CE-OE2 3.18Å; K155-E265 HydrophobicContact CG-CB 4.49Å; K155-E265 HydrophobicContact CG-CG 4.05Å; K155-E265 VanDerWaalsContact NZ-CD 3.26Å; K155-E265 IonicContact NZ-OE1 3.61Å; K155-E265 PolarHBondContact NZ-OE1 3.04Å; K155-E265 IonicContact NZ-OE2 2.62Å; K155-E265 PolarHBondContact NZ-OE2 2.9Å; K155-E265 CarbonylContact O-C 3.6Å; K155-E265 WeakPolarHBondContact O-CA 3.29Å; K155-V266 PolarHBondContact O-N 2.9Å
156	G	98.8	Very high	98.8	Very high	29 Å²	29	50.7 Å²	50.7	30%	0.299	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	6	-176.2	0	0	0	0	0	114.8	I154 G160	I154-G156 PolarHBondContact O-N 3.37Å; G156-G160 VanDerWaalsContact O-CA 3.29Å; G156-G160 WeakPolarHBondContact O-CA 3.4Å; G156-G160 PolarHBondContact O-N 2.85Å
157	L	98.9	Very high	98.8	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	147	165.4	-59.9	-178.5	0	0	0	109.5	E152 I154 F161 I166 V266 V294	E152-L157 WeakPolarHBondContact CA-O 3.45Å; I154-L157 HydrophobicContact CB-CB 4.41Å; 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 3.76Å; I154-L157 HydrophobicContact CG2-CG 4.04Å; I154-L157 PolarHBondContact O-N 2.82Å; L157-F161 HydrophobicContact CB-CE2 4.34Å; L157-F161 HydrophobicContact CD1-CE2 4.25Å; L157-F161 HydrophobicContact CD1-CZ 4.03Å; L157-F161 HydrophobicContact CD2-CD2 4.16Å; L157-F161 HydrophobicContact CD2-CE1 4.37Å; L157-F161 HydrophobicContact CD2-CE2 3.94Å; L157-F161 HydrophobicContact CD2-CG 4.45Å; L157-F161 HydrophobicContact CD2-CZ 4.05Å; L157-F161 HydrophobicContact CG-CE2 4.42Å; L157-I166 HydrophobicContact CD2-CD1 3.79Å; L157-V266 HydrophobicContact CD1-CG2 4.19Å; L157-V266 HydrophobicContact CD2-CB 4.28Å; L157-V266 HydrophobicContact CD2-CG1 4.29Å; L157-V266 HydrophobicContact CG-CB 4.27Å; L157-V266 HydrophobicContact CG-CG2 4.3Å; L157-V294 HydrophobicContact CD1-CB 4.37Å; L157-V294 HydrophobicContact CD1-CG1 3.83Å; L157-V294 HydrophobicContact CD1-CG2 4Å
158	P	98.7	Very high	98.8	Very high	63 Å²	63	49 Å²	49	41%	0.409	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	cis	-79.4	-4.8	7.5	32.9	-38.1	0	0	0	116.4	G160 F161	P158-G160 VanDerWaalsContact C-N 3.28Å; P158-G160 PolarHBondContact O-N 2.83Å; P158-F161 HydrophobicContact CB-CD2 4.14Å; P158-F161 WeakPolarHBondContact O-CB 2.65Å; P158-F161 VanDerWaalsContact O-CD2 3.3Å; P158-F161 WeakPolarHBondContact O-CD2 3.39Å; P158-F161 PolarHBondContact O-N 3.49Å
159	E	98.6	Very high	98.8	Very high	125 Å²	125	47 Å²	47	58%	0.584	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58.6	-40	-172	-60.4	64.1	-132.9	0	0	111.9	F161 A162	E159-F161 PolarHBondContact O-N 3.14Å; E159-F161 VanDerWaalsContact O-N 3.09Å; E159-A162 VanDerWaalsContact O-CB 3.27Å; E159-A162 WeakPolarHBondContact O-CB 3.24Å; E159-A162 PolarHBondContact O-N 2.97Å
160	G	98.7	Very high	98.8	Very high	4 Å²	4	45.7 Å²	45.7	4%	0.041	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-56.6	-25.7	178.4	0	0	0	0	0	114	G156 P158 A162 H163 I166 A268	G156-G160 VanDerWaalsContact O-CA 3.29Å; G156-G160 WeakPolarHBondContact O-CA 3.4Å; G156-G160 PolarHBondContact O-N 2.85Å; P158-G160 VanDerWaalsContact C-N 3.28Å; P158-G160 PolarHBondContact O-N 2.83Å; G160-A162 PolarHBondContact O-N 2.67Å; G160-A162 VanDerWaalsContact O-N 3.1Å; G160-H163 WeakPolarHBondContact O-CB 3.49Å; G160-H163 PolarHBondContact O-N 2.78Å; G160-H163 PolarHBondContact O-ND1 3.12Å; G160-I166 WeakPolarHBondContact O-CG2 3.48Å; G160-A268 VanDerWaalsContact CA-CB 3.5Å; G160-A268 WeakPolarHBondContact O-CB 3.38Å
161	F	98.8	Very high	98.8	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.057	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-66.8	-7.3	174.1	-63.3	-62.1	0	0	0	113.9	Y151 L157 P158 E159 H163 I166 T174 K177 V294	Y151-F161 AromaticContact CD1-CE2 3.44Å; Y151-F161 HydrophobicContact CD1-CE2 3.44Å; Y151-F161 VanDerWaalsContact CD1-CE2 3.44Å; Y151-F161 AromaticContact CD1-CZ 3.65Å; Y151-F161 HydrophobicContact CD1-CZ 3.65Å; Y151-F161 AromaticContact CE1-CE2 3.72Å; Y151-F161 HydrophobicContact CE1-CE2 3.72Å; Y151-F161 AromaticContact CE1-CZ 3.6Å; Y151-F161 HydrophobicContact CE1-CZ 3.6Å; Y151-F161 HydrophobicContact CG-CE2 4.17Å; L157-F161 HydrophobicContact CB-CE2 4.34Å; L157-F161 HydrophobicContact CD1-CE2 4.25Å; L157-F161 HydrophobicContact CD1-CZ 4.03Å; L157-F161 HydrophobicContact CD2-CD2 4.16Å; L157-F161 HydrophobicContact CD2-CE1 4.37Å; L157-F161 HydrophobicContact CD2-CE2 3.94Å; L157-F161 HydrophobicContact CD2-CG 4.45Å; L157-F161 HydrophobicContact CD2-CZ 4.05Å; L157-F161 HydrophobicContact CG-CE2 4.42Å; P158-F161 HydrophobicContact CB-CD2 4.14Å; P158-F161 WeakPolarHBondContact O-CB 2.65Å; P158-F161 VanDerWaalsContact O-CD2 3.3Å; P158-F161 WeakPolarHBondContact O-CD2 3.39Å; P158-F161 PolarHBondContact O-N 3.49Å; E159-F161 PolarHBondContact O-N 3.14Å; E159-F161 VanDerWaalsContact O-N 3.09Å; F161-H163 PolarHBondContact O-N 2.95Å; F161-I166 HydrophobicContact CD1-CD1 4.18Å; F161-I166 HydrophobicContact CD1-CG1 3.98Å; F161-I166 HydrophobicContact CD1-CG2 4.23Å; F161-I166 HydrophobicContact CE1-CD1 4.04Å; F161-I166 HydrophobicContact CE1-CG1 3.86Å; F161-T174 HydrophobicContact CB-CG2 4.17Å; F161-T174 HydrophobicContact CD1-CG2 3.82Å; F161-T174 HydrophobicContact CD2-CG2 3.75Å; F161-T174 HydrophobicContact CE1-CG2 4.11Å; F161-T174 HydrophobicContact CE2-CG2 4.05Å; F161-T174 HydrophobicContact CG-CG2 3.65Å; F161-T174 HydrophobicContact CZ-CG2 4.23Å; F161-K177 HydrophobicContact CB-CD 4.31Å; F161-K177 WeakPolarHBondContact O-CD 3.05Å; F161-K177 WeakPolarHBondContact O-CE 3.39Å; F161-K177 PolarHBondContact O-NZ 2.99Å; F161-V294 HydrophobicContact CZ-CB 4.39Å
162	A	98.6	Very high	98.8	Very high	84 Å²	84	48.2 Å²	48.2	69%	0.694	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-63	-31.7	166.4	0	0	0	0	0	112.3	E159 G160	E159-A162 VanDerWaalsContact O-CB 3.27Å; E159-A162 WeakPolarHBondContact O-CB 3.24Å; E159-A162 PolarHBondContact O-N 2.97Å; G160-A162 PolarHBondContact O-N 2.67Å; G160-A162 VanDerWaalsContact O-N 3.1Å
163	H	98.8	Very high	98.8	Very high	73 Å²	73	51.5 Å²	51.5	34%	0.338	28%	0.275	S	S	.	.	S	Bend	trans	-80.4	161.4	-175.4	-64.4	81.7	0	0	0	112.8	G160 F161 A268	G160-H163 WeakPolarHBondContact O-CB 3.49Å; G160-H163 PolarHBondContact O-N 2.78Å; G160-H163 PolarHBondContact O-ND1 3.12Å; F161-H163 PolarHBondContact O-N 2.95Å; H163-A268 HydrophobicContact CB-CB 3.82Å
164	P	98.8	Very high	98.8	Very high	85 Å²	85	45.5 Å²	45.5	55%	0.552	25%	0.25	S	C	*	.	S	Bend	trans	-71.2	-178.9	170.9	32.3	-37.7	0	0	0	112.1	I166	P164-I166 PolarHBondContact O-N 3.15Å
165	K	98.8	Very high	98.8	Very high	50 Å²	50	45.4 Å²	45.4	22%	0.217	25%	0.249	C	C	.	.	S	Bend	trans	63.1	-10	175.7	-58.4	-178.6	-178.7	-176.4	0	116.9	A181 Q271 Y289 E290 M291 L292	K165-A181 WeakPolarHBondContact O-CB 3.46Å; K165-Q271 HydrophobicContact CD-CG 4.1Å; K165-Y289 HydrophobicContact CB-CD2 4.32Å; K165-Y289 HydrophobicContact CB-CE2 4.06Å; K165-E290 WeakPolarHBondContact CB-O 3.4Å; K165-E290 WeakPolarHBondContact CD-O 3.49Å; K165-E290 WeakPolarHBondContact CE-OE2 3.41Å; K165-E290 WeakPolarHBondContact CG-O 3.36Å; K165-E290 IonicContact NZ-OE2 2.83Å; K165-E290 PolarHBondContact NZ-OE2 2.99Å; K165-M291 CarbonylContact O-C 3.58Å; K165-M291 WeakPolarHBondContact O-CA 3.46Å; K165-L292 PolarHBondContact O-N 2.95Å
166	I	98.9	Very high	98.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.8	179.8	-171.2	173.2	0	0	0	112.8	L157 G160 F161 P164 K177 V266 Y289 L292 V294	L157-I166 HydrophobicContact CD2-CD1 3.79Å; G160-I166 WeakPolarHBondContact O-CG2 3.48Å; F161-I166 HydrophobicContact CD1-CD1 4.18Å; F161-I166 HydrophobicContact CD1-CG1 3.98Å; F161-I166 HydrophobicContact CD1-CG2 4.23Å; F161-I166 HydrophobicContact CE1-CD1 4.04Å; F161-I166 HydrophobicContact CE1-CG1 3.86Å; P164-I166 PolarHBondContact O-N 3.15Å; I166-K177 WeakPolarHBondContact O-CB 3.08Å; I166-V266 HydrophobicContact CD1-CG1 3.73Å; I166-Y289 HydrophobicContact CB-CE2 4.46Å; I166-L292 CarbonylContact C-O 3.15Å; I166-L292 WeakPolarHBondContact CA-O 3.29Å; I166-L292 HydrophobicContact CD1-CD2 3.88Å; I166-L292 HydrophobicContact CG1-CB 4.27Å; I166-L292 HydrophobicContact CG1-CD2 4.2Å; I166-L292 HydrophobicContact CG1-CG 4.34Å; I166-V294 HydrophobicContact CD1-CG2 4.05Å; I166-V294 HydrophobicContact CG1-CG2 4.25Å
167	G	98.9	Very high	98.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	173.2	176.4	0	0	0	0	0	114	L292 H293 V294	G167-L292 PolarHBondContact N-O 3.28Å; G167-H293 WeakPolarHBondContact O-CA 3.09Å; G167-V294 PolarHBondContact O-N 3.49Å
168	S	98.9	Very high	98.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.			trans	-155.4	123.7	170.8	-176.9	0	0	0	0	111.6	Y151 Y170 T174 V175 T178 V294	Y151-S168 PolarHBondContact OH-OG 3.45Å; Y151-S168 VanDerWaalsContact OH-OG 3.09Å; S168-Y170 PolarHBondContact O-N 3.32Å; S168-Y170 VanDerWaalsContact O-N 3.16Å; S168-Y170 PolarHBondContact OG-N 3.11Å; S168-T174 PolarHBondContact N-O 3.16Å; S168-T174 CarbonylContact O-C 3.27Å; S168-T174 WeakPolarHBondContact O-CB 3.48Å; S168-T174 PolarHBondContact O-OG1 3.41Å; S168-V175 WeakPolarHBondContact O-CA 3.37Å; S168-V175 PolarHBondContact O-N 2.8Å; S168-V175 VanDerWaalsContact O-N 3.08Å; S168-T178 PolarHBondContact N-OG1 2.76Å; S168-T178 VanDerWaalsContact N-OG1 3.1Å; S168-V294 WeakPolarHBondContact CB-O 3.34Å; S168-V294 PolarHBondContact OG-O 2.98Å
169	N	98.9	Very high	98.8	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.059	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	4.4	178.7	-64.7	-9.3	0	0	0	114	G90 V175 T178 I208 H293	G90-N169 WeakPolarHBondContact CA-OD1 3.46Å; N169-V175 HydrophobicContact CB-CG2 4.38Å; N169-T178 WeakPolarHBondContact OD1-CB 3.33Å; N169-T178 WeakPolarHBondContact OD1-CG2 3.45Å; N169-T178 PolarHBondContact OD1-OG1 2.69Å; N169-I208 WeakPolarHBondContact ND2-CB 3.06Å; N169-I208 WeakPolarHBondContact ND2-CG1 3.47Å; N169-H293 WeakPolarHBondContact CA-NE2 3.42Å; N169-H293 WeakPolarHBondContact CB-NE2 3.34Å; N169-H293 PolarHBondContact N-NE2 2.95Å; N169-H293 PolarHBondContact ND2-NE2 3.35Å
170	Y	98.8	Very high	98.8	Very high	12 Å²	12	45 Å²	45	5%	0.047	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-13.2	-177.5	-79.3	-82.9	0	0	0	114.3	W86 L149 S168 K200 C201 P205 H293 T295 M298	W86-Y170 WeakPolarHBondContact CZ3-O 3.37Å; L149-Y170 WeakPolarHBondContact CD1-O 3.15Å; S168-Y170 PolarHBondContact O-N 3.32Å; S168-Y170 VanDerWaalsContact O-N 3.16Å; S168-Y170 PolarHBondContact OG-N 3.11Å; Y170-K200 HydrophobicContact CD1-CG 4.27Å; Y170-K200 HydrophobicContact CE1-CG 4Å; Y170-K200 WeakPolarHBondContact CE1-O 3.16Å; Y170-K200 PolarHBondContact OH-O 2.82Å; Y170-C201 PolarHBondContact OH-O 3.1Å; Y170-P205 HydrophobicContact CE2-CG 4.2Å; Y170-P205 WeakPolarHBondContact OH-CD 3.49Å; Y170-H293 AromaticContact CD2-CE1 3.8Å; Y170-H293 AromaticContact CE2-CE1 3.53Å; Y170-T295 HydrophobicContact CD2-CG2 4Å; Y170-T295 HydrophobicContact CE2-CG2 3.5Å; Y170-T295 VanDerWaalsContact CE2-CG2 3.5Å; Y170-M298 HydrophobicContact CD1-CE 3.47Å; Y170-M298 VanDerWaalsContact CD1-CE 3.47Å; Y170-M298 HydrophobicContact CD1-SD 4.45Å; Y170-M298 HydrophobicContact CD2-CE 4.35Å; Y170-M298 HydrophobicContact CE1-CE 3.43Å; Y170-M298 VanDerWaalsContact CE1-CE 3.43Å; Y170-M298 HydrophobicContact CE1-SD 4.46Å; Y170-M298 HydrophobicContact CE2-CE 4.33Å; Y170-M298 HydrophobicContact CG-CE 3.93Å
171	S	98.8	Very high	98.8	Very high	25 Å²	25	44.9 Å²	44.9	18%	0.175	23%	0.23	C	C	.	.	S	Bend	trans	-127.8	142.3	175.7	172	0	0	0	0	111.8	Y151 K173 T174 V175	Y151-S171 WeakPolarHBondContact OH-CB 3.46Å; Y151-S171 PolarHBondContact OH-N 3.49Å; S171-K173 PolarHBondContact O-N 2.99Å; S171-K173 PolarHBondContact OG-N 3.3Å; S171-T174 WeakPolarHBondContact CB-OG1 3.19Å; S171-T174 PolarHBondContact O-N 3.14Å; S171-T174 VanDerWaalsContact O-N 3.09Å; S171-T174 PolarHBondContact O-OG1 2.95Å; S171-V175 PolarHBondContact O-N 3.35Å
172	V	98.6	Very high	98.8	Very high	55 Å²	55	44.3 Å²	44.3	33%	0.333	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.9	174	66.5	0	0	0	0	112.3	F81 W86 L96 T174	F81-V172 HydrophobicContact CE1-CG2 3.92Å; F81-V172 HydrophobicContact CE2-CG2 4.44Å; F81-V172 HydrophobicContact CZ-CB 4.4Å; F81-V172 HydrophobicContact CZ-CG2 3.7Å; W86-V172 HydrophobicContact CH2-CB 4.06Å; W86-V172 HydrophobicContact CZ2-CB 3.94Å; W86-V172 HydrophobicContact CZ2-CG2 4.45Å; L96-V172 HydrophobicContact CD1-CG2 4.32Å; L96-V172 HydrophobicContact CD2-CG2 4.01Å; V172-T174 VanDerWaalsContact C-N 3.31Å; V172-T174 PolarHBondContact O-N 3.29Å
173	K	98.7	Very high	98.9	Very high	177 Å²	177	43.8 Å²	43.8	77%	0.77	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.4	179.9	-58.9	-172.5	179.6	-177.7	0	114	S171	S171-K173 PolarHBondContact O-N 2.99Å; S171-K173 PolarHBondContact OG-N 3.3Å
174	T	98.8	Very high	98.9	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.043	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-12	-166.7	54.2	0	0	0	0	114.6	F161 S168 S171 V172 K177 T178	F161-T174 HydrophobicContact CB-CG2 4.17Å; F161-T174 HydrophobicContact CD1-CG2 3.82Å; F161-T174 HydrophobicContact CD2-CG2 3.75Å; F161-T174 HydrophobicContact CE1-CG2 4.11Å; F161-T174 HydrophobicContact CE2-CG2 4.05Å; F161-T174 HydrophobicContact CG-CG2 3.65Å; F161-T174 HydrophobicContact CZ-CG2 4.23Å; S168-T174 PolarHBondContact N-O 3.16Å; S168-T174 CarbonylContact O-C 3.27Å; S168-T174 WeakPolarHBondContact O-CB 3.48Å; S168-T174 PolarHBondContact O-OG1 3.41Å; S171-T174 WeakPolarHBondContact CB-OG1 3.19Å; S171-T174 PolarHBondContact O-N 3.14Å; S171-T174 VanDerWaalsContact O-N 3.09Å; S171-T174 PolarHBondContact O-OG1 2.95Å; V172-T174 VanDerWaalsContact C-N 3.31Å; V172-T174 PolarHBondContact O-N 3.29Å; T174-K177 WeakPolarHBondContact O-CB 3.35Å; T174-K177 PolarHBondContact O-N 3.44Å; T174-T178 PolarHBondContact O-N 3.19Å; T174-T178 PolarHBondContact O-OG1 3.19Å
175	V	98.9	Very high	98.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-39.7	-178.4	57.8	0	0	0	0	112.6	W86 V89 G90 L96 S168 N169 S171 K177 T178	W86-V175 HydrophobicContact CB-CG2 3.9Å; W86-V175 HydrophobicContact CG-CG2 4.35Å; W86-V175 WeakPolarHBondContact O-CG2 3.32Å; V89-V175 HydrophobicContact CB-CG2 3.82Å; V89-V175 HydrophobicContact CG1-CG1 4.37Å; V89-V175 HydrophobicContact CG1-CG2 3.87Å; G90-V175 WeakPolarHBondContact CA-O 3.46Å; L96-V175 HydrophobicContact CD1-CG1 3.66Å; L96-V175 HydrophobicContact CD2-CG1 3.99Å; L96-V175 HydrophobicContact CG-CG1 4.41Å; S168-V175 WeakPolarHBondContact O-CA 3.37Å; S168-V175 PolarHBondContact O-N 2.8Å; S168-V175 VanDerWaalsContact O-N 3.08Å; N169-V175 HydrophobicContact CB-CG2 4.38Å; S171-V175 PolarHBondContact O-N 3.35Å; V175-K177 VanDerWaalsContact C-N 3.31Å; V175-K177 PolarHBondContact O-N 3.11Å; V175-T178 VanDerWaalsContact O-CB 3.29Å; V175-T178 WeakPolarHBondContact O-CB 3.38Å; V175-T178 PolarHBondContact O-N 2.88Å; V175-T178 PolarHBondContact O-OG1 3.11Å
176	E	98.9	Very high	98.8	Very high	98 Å²	98	44.4 Å²	44.4	46%	0.458	21%	0.206	S	C	.	.	H	α-helix	trans	-73.2	-25	175.9	-69.6	175	144.4	0	0	112.3	V89 L96 T178 W179 K180	V89-E176 HydrophobicContact CG1-CG 4.14Å; L96-E176 HydrophobicContact CB-CG 4.09Å; L96-E176 WeakPolarHBondContact CB-OE1 3.29Å; L96-E176 VanDerWaalsContact CD2-CD 3.45Å; L96-E176 HydrophobicContact CD2-CG 3.93Å; L96-E176 WeakPolarHBondContact CD2-OE2 3.35Å; E176-T178 VanDerWaalsContact C-N 3.31Å; E176-T178 PolarHBondContact O-N 2.55Å; E176-W179 PolarHBondContact O-N 3.09Å; E176-K180 PolarHBondContact O-N 3.35Å
177	K	98.9	Very high	98.8	Very high	77 Å²	77	49.5 Å²	49.5	34%	0.335	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-34	171.1	-64.1	178	169.6	-83.6	0	111.7	F161 I166 T174 V175 W179 K180 A181	F161-K177 HydrophobicContact CB-CD 4.31Å; F161-K177 WeakPolarHBondContact O-CD 3.05Å; F161-K177 WeakPolarHBondContact O-CE 3.39Å; F161-K177 PolarHBondContact O-NZ 2.99Å; I166-K177 WeakPolarHBondContact O-CB 3.08Å; T174-K177 WeakPolarHBondContact O-CB 3.35Å; T174-K177 PolarHBondContact O-N 3.44Å; V175-K177 VanDerWaalsContact C-N 3.31Å; V175-K177 PolarHBondContact O-N 3.11Å; K177-W179 VanDerWaalsContact C-N 3.33Å; K177-W179 PolarHBondContact O-N 3.46Å; K177-K180 PolarHBondContact O-N 3.19Å; K177-A181 WeakPolarHBondContact O-CB 3.31Å; K177-A181 PolarHBondContact O-N 2.92Å
178	T	98.9	Very high	98.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-45.5	171	-45.6	0	0	0	0	111.5	S168 N169 T174 V175 E176 A181 L182 I208 M291 H293	S168-T178 PolarHBondContact N-OG1 2.76Å; S168-T178 VanDerWaalsContact N-OG1 3.1Å; N169-T178 WeakPolarHBondContact OD1-CB 3.33Å; N169-T178 WeakPolarHBondContact OD1-CG2 3.45Å; N169-T178 PolarHBondContact OD1-OG1 2.69Å; T174-T178 PolarHBondContact O-N 3.19Å; T174-T178 PolarHBondContact O-OG1 3.19Å; V175-T178 VanDerWaalsContact O-CB 3.29Å; V175-T178 WeakPolarHBondContact O-CB 3.38Å; V175-T178 PolarHBondContact O-N 2.88Å; V175-T178 PolarHBondContact O-OG1 3.11Å; E176-T178 VanDerWaalsContact C-N 3.31Å; E176-T178 PolarHBondContact O-N 2.55Å; T178-A181 PolarHBondContact O-N 3.13Å; T178-L182 WeakPolarHBondContact O-CB 3.15Å; T178-L182 PolarHBondContact O-N 2.98Å; T178-I208 HydrophobicContact CG2-CD1 4.11Å; T178-I208 HydrophobicContact CG2-CG1 3.91Å; T178-M291 HydrophobicContact CG2-CE 3.88Å; T178-H293 HydrophobicContact CG2-CB 4.5Å
179	W	98.9	Very high	98.8	Very high	61 Å²	61	52.4 Å²	52.4	23%	0.231	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-45	179.3	172.7	-128.4	0	0	0	111.3	G90 G92 E176 K177 A181 L182 Q183 Y215	G90-W179 WeakPolarHBondContact O-CA 3.48Å; G90-W179 PolarHBondContact O-N 3.36Å; G92-W179 VanDerWaalsContact CA-CE2 3.46Å; E176-W179 PolarHBondContact O-N 3.09Å; K177-W179 VanDerWaalsContact C-N 3.33Å; K177-W179 PolarHBondContact O-N 3.46Å; W179-A181 VanDerWaalsContact C-N 3.35Å; W179-A181 PolarHBondContact O-N 3.09Å; W179-L182 HydrophobicContact CE3-CB 4.21Å; W179-L182 HydrophobicContact CE3-CD2 4.05Å; W179-L182 HydrophobicContact CE3-CG 4.31Å; W179-L182 HydrophobicContact CZ3-CD2 4.06Å; W179-L182 HydrophobicContact CZ3-CG 4.25Å; W179-L182 WeakPolarHBondContact O-CB 3.34Å; W179-L182 PolarHBondContact O-N 2.83Å; W179-L182 VanDerWaalsContact O-N 3.11Å; W179-Q183 HydrophobicContact CD2-CG 3.86Å; W179-Q183 HydrophobicContact CE3-CG 4.04Å; W179-Q183 HydrophobicContact CH2-CG 3.7Å; W179-Q183 VanDerWaalsContact CZ2-CD 3.49Å; W179-Q183 HydrophobicContact CZ2-CG 3.48Å; W179-Q183 VanDerWaalsContact CZ2-CG 3.48Å; W179-Q183 HydrophobicContact CZ3-CG 3.97Å; W179-Q183 WeakPolarHBondContact O-CG 3.29Å; W179-Q183 PolarHBondContact O-N 2.81Å; W179-Y215 HydrophobicContact CH2-CD2 4.24Å; W179-Y215 AromaticContact CH2-CE2 3.57Å; W179-Y215 HydrophobicContact CH2-CE2 3.57Å; W179-Y215 AromaticContact CH2-CZ 3.91Å; W179-Y215 HydrophobicContact CZ3-CD2 4.09Å; W179-Y215 AromaticContact CZ3-CE2 3.79Å; W179-Y215 HydrophobicContact CZ3-CE2 3.79Å
180	K	98.9	Very high	98.8	Very high	110 Å²	110	51.9 Å²	51.9	48%	0.478	25%	0.25	S	S	.	.	H	α-helix	trans	-59.5	-43.7	176.5	-176.1	52	171.5	149	0	112	E176 K177 L182 Q183 D184	E176-K180 PolarHBondContact O-N 3.35Å; K177-K180 PolarHBondContact O-N 3.19Å; K180-L182 PolarHBondContact O-N 3.48Å; K180-Q183 PolarHBondContact O-N 2.96Å; K180-D184 VanDerWaalsContact CD-OD2 3.31Å; K180-D184 WeakPolarHBondContact CD-OD2 3.47Å; K180-D184 WeakPolarHBondContact CE-OD2 3.41Å; K180-D184 IonicContact NZ-OD1 2.88Å; K180-D184 PolarHBondContact NZ-OD1 3.3Å; K180-D184 IonicContact NZ-OD2 2.7Å; K180-D184 PolarHBondContact NZ-OD2 3.34Å; K180-D184 WeakPolarHBondContact O-CB 3.27Å; K180-D184 VanDerWaalsContact O-CG 3.27Å; K180-D184 PolarHBondContact O-N 3.03Å
181	A	98.9	Very high	98.8	Very high	3 Å²	3	51.3 Å²	51.3	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-41.7	173.3	0	0	0	0	0	112.5	K165 K177 T178 W179 D184 F185 M291	K165-A181 WeakPolarHBondContact O-CB 3.46Å; K177-A181 WeakPolarHBondContact O-CB 3.31Å; K177-A181 PolarHBondContact O-N 2.92Å; T178-A181 PolarHBondContact O-N 3.13Å; W179-A181 VanDerWaalsContact C-N 3.35Å; W179-A181 PolarHBondContact O-N 3.09Å; A181-D184 PolarHBondContact O-N 2.76Å; A181-F185 WeakPolarHBondContact O-CB 3.43Å; A181-F185 PolarHBondContact O-N 2.65Å; A181-M291 HydrophobicContact CB-CG 4.16Å
182	L	98.9	Very high	98.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-37.1	177.8	-178.5	54.8	0	0	0	112.8	T178 W179 K180 S212 Y215 F216 M291	T178-L182 WeakPolarHBondContact O-CB 3.15Å; T178-L182 PolarHBondContact O-N 2.98Å; W179-L182 HydrophobicContact CE3-CB 4.21Å; W179-L182 HydrophobicContact CE3-CD2 4.05Å; W179-L182 HydrophobicContact CE3-CG 4.31Å; W179-L182 HydrophobicContact CZ3-CD2 4.06Å; W179-L182 HydrophobicContact CZ3-CG 4.25Å; W179-L182 WeakPolarHBondContact O-CB 3.34Å; W179-L182 PolarHBondContact O-N 2.83Å; W179-L182 VanDerWaalsContact O-N 3.11Å; K180-L182 PolarHBondContact O-N 3.48Å; L182-S212 WeakPolarHBondContact CD1-OG 3.22Å; L182-Y215 HydrophobicContact CD1-CD1 3.63Å; L182-Y215 HydrophobicContact CD1-CE1 4.4Å; L182-Y215 HydrophobicContact CD1-CG 4.23Å; L182-Y215 HydrophobicContact CD2-CD1 4.28Å; L182-Y215 HydrophobicContact CD2-CG 4.21Å; L182-Y215 HydrophobicContact CG-CD1 3.63Å; L182-Y215 HydrophobicContact CG-CE1 4.11Å; L182-Y215 HydrophobicContact CG-CG 4.06Å; L182-Y215 VanDerWaalsContact O-CE1 3.28Å; L182-Y215 WeakPolarHBondContact O-CE1 3.44Å; L182-F216 HydrophobicContact CD1-CD1 4.19Å; L182-F216 HydrophobicContact CD1-CE1 3.45Å; L182-F216 VanDerWaalsContact CD1-CE1 3.45Å; L182-F216 HydrophobicContact CD1-CE2 4.34Å; L182-F216 HydrophobicContact CD1-CZ 3.54Å; L182-M291 HydrophobicContact CB-CE 3.96Å; L182-M291 HydrophobicContact CB-SD 4.03Å; L182-M291 HydrophobicContact CD1-CE 4.45Å; L182-M291 HydrophobicContact CD1-SD 3.92Å
183	Q	98.9	Very high	98.9	Very high	74 Å²	74	47.6 Å²	47.6	35%	0.346	22%	0.224	S	C	.	.	H	α-helix	trans	-67.1	-48.7	173.2	-67.6	-177.3	-75.7	0	0	111.9	W179 K180 K221	W179-Q183 HydrophobicContact CD2-CG 3.86Å; W179-Q183 HydrophobicContact CE3-CG 4.04Å; W179-Q183 HydrophobicContact CH2-CG 3.7Å; W179-Q183 VanDerWaalsContact CZ2-CD 3.49Å; W179-Q183 HydrophobicContact CZ2-CG 3.48Å; W179-Q183 VanDerWaalsContact CZ2-CG 3.48Å; W179-Q183 HydrophobicContact CZ3-CG 3.97Å; W179-Q183 WeakPolarHBondContact O-CG 3.29Å; W179-Q183 PolarHBondContact O-N 2.81Å; K180-Q183 PolarHBondContact O-N 2.96Å; Q183-K221 PolarHBondContact O-NZ 2.77Å
184	D	98.9	Very high	98.9	Very high	66 Å²	66	39.7 Å²	39.7	35%	0.353	19%	0.19	S	C	.	.	H	α-helix	trans	-75.6	-23.3	-170.7	-70.8	-10.9	0	0	0	113.7	K180 A181 K186	K180-D184 VanDerWaalsContact CD-OD2 3.31Å; K180-D184 WeakPolarHBondContact CD-OD2 3.47Å; K180-D184 WeakPolarHBondContact CE-OD2 3.41Å; K180-D184 IonicContact NZ-OD1 2.88Å; K180-D184 PolarHBondContact NZ-OD1 3.3Å; K180-D184 IonicContact NZ-OD2 2.7Å; K180-D184 PolarHBondContact NZ-OD2 3.34Å; K180-D184 WeakPolarHBondContact O-CB 3.27Å; K180-D184 VanDerWaalsContact O-CG 3.27Å; K180-D184 PolarHBondContact O-N 3.03Å; A181-D184 PolarHBondContact O-N 2.76Å; D184-K186 WeakPolarHBondContact O-CG 3.43Å; D184-K186 PolarHBondContact O-N 2.93Å
185	F	98.9	Very high	98.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.			trans	-42.7	126.3	175.5	-179.8	-79.1	0	0	0	112.1	A181 G188 A190 F216 K221 A225 E290 M291	A181-F185 WeakPolarHBondContact O-CB 3.43Å; A181-F185 PolarHBondContact O-N 2.65Å; F185-G188 WeakPolarHBondContact CZ-O 3.46Å; F185-A190 HydrophobicContact CD2-CB 4.38Å; F185-A190 HydrophobicContact CE2-CB 3.85Å; F185-F216 HydrophobicContact CB-CE1 3.83Å; F185-F216 HydrophobicContact CB-CZ 4.32Å; F185-F216 AromaticContact CD1-CD1 3.99Å; F185-F216 HydrophobicContact CD1-CD1 3.99Å; F185-F216 AromaticContact CD1-CE1 3.44Å; F185-F216 HydrophobicContact CD1-CE1 3.44Å; F185-F216 VanDerWaalsContact CD1-CE1 3.44Å; F185-F216 AromaticContact CD1-CZ 3.94Å; F185-F216 HydrophobicContact CD1-CZ 3.94Å; F185-F216 HydrophobicContact CD2-CE1 4.09Å; F185-F216 AromaticContact CD2-CZ 3.84Å; F185-F216 HydrophobicContact CD2-CZ 3.84Å; F185-F216 HydrophobicContact CE1-CD1 4.42Å; F185-F216 HydrophobicContact CE1-CE1 4.07Å; F185-F216 HydrophobicContact CE1-CZ 4.28Å; F185-F216 HydrophobicContact CE2-CZ 4.15Å; F185-F216 HydrophobicContact CG-CD1 4.46Å; F185-F216 AromaticContact CG-CE1 3.49Å; F185-F216 HydrophobicContact CG-CE1 3.49Å; F185-F216 VanDerWaalsContact CG-CE1 3.49Å; F185-F216 AromaticContact CG-CZ 3.75Å; F185-F216 HydrophobicContact CG-CZ 3.75Å; F185-F216 HydrophobicContact CZ-CZ 4.39Å; F185-K221 HydrophobicContact CD1-CD 4.42Å; F185-K221 VanDerWaalsContact O-CD 3.32Å; F185-K221 WeakPolarHBondContact O-CD 3.34Å; F185-K221 WeakPolarHBondContact O-CE 3.41Å; F185-K221 PolarHBondContact O-NZ 3.23Å; F185-A225 HydrophobicContact CE1-CB 3.83Å; F185-A225 HydrophobicContact CZ-CB 3.76Å; F185-E290 HydrophobicContact CB-CG 4.37Å; F185-E290 HydrophobicContact CD1-CG 4.42Å; F185-E290 HydrophobicContact CD2-CB 3.78Å; F185-E290 HydrophobicContact CD2-CG 3.34Å; F185-E290 HydrophobicContact CE2-CB 3.56Å; F185-E290 HydrophobicContact CE2-CG 3.52Å; F185-E290 HydrophobicContact CG-CG 3.82Å; F185-E290 HydrophobicContact CZ-CB 4.3Å; F185-E290 HydrophobicContact CZ-CG 4.1Å; F185-M291 HydrophobicContact CD2-CB 3.77Å; F185-M291 HydrophobicContact CE2-CB 4.45Å
186	K	98.5	Very high	98.9	Very high	154 Å²	154	44.1 Å²	44.1	67%	0.67	21%	0.214	S	C	*	.			trans	-106.2	-59.4	175.9	-57.3	-178.8	-176.2	175.6	0	111.4	D184 E290	D184-K186 WeakPolarHBondContact O-CG 3.43Å; D184-K186 PolarHBondContact O-N 2.93Å; K186-E290 WeakPolarHBondContact CB-OE1 3.47Å; K186-E290 PolarHBondContact N-OE1 2.77Å
187	E	98.8	Very high	98.9	Very high	108 Å²	108	41.4 Å²	41.4	51%	0.505	20%	0.203	S	C	.	.	S	Bend	trans	-164.2	140.9	-169.2	-175.2	152.4	-146.6	0	0	111.2	K224 E290	E187-K224 CarbonylContact C-O 3.51Å; E187-K224 WeakPolarHBondContact CA-O 3.16Å; E187-K224 HydrophobicContact CB-CB 3.99Å; E187-K224 HydrophobicContact CB-CD 4.3Å; E187-K224 HydrophobicContact CB-CG 4.5Å; E187-K224 HydrophobicContact CG-CB 3.86Å; E187-K224 HydrophobicContact CG-CD 4.39Å; E187-K224 HydrophobicContact CG-CG 4.21Å; E187-K224 IonicContact OE1-NZ 2.62Å; E187-K224 PolarHBondContact OE1-NZ 3.44Å; E187-K224 IonicContact OE2-NZ 2.81Å; E187-K224 PolarHBondContact OE2-NZ 3.08Å; E187-E290 VanDerWaalsContact O-CB 3.31Å; E187-E290 WeakPolarHBondContact O-CB 3.4Å; E187-E290 VanDerWaalsContact O-CG 3.26Å; E187-E290 WeakPolarHBondContact O-CG 3.28Å
188	G	98.8	Very high	98.8	Very high	30 Å²	30	41.1 Å²	41.1	31%	0.309	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	123.1	-150.4	179.2	0	0	0	0	0	113.5	F185 K224 N226	F185-G188 WeakPolarHBondContact CZ-O 3.46Å; G188-K224 PolarHBondContact N-O 2.74Å; G188-N226 PolarHBondContact O-N 3.36Å
189	N	98.9	Very high	98.7	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.171	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.2	-175.8	-58.1	-42.5	0	0	0	111.8	I191 N226 I228 S288 E290 M291	N189-I191 HydrophobicContact CB-CD1 4.13Å; N189-I191 HydrophobicContact CB-CG1 3.89Å; N189-N226 CarbonylContact C-O 3.55Å; N189-N226 WeakPolarHBondContact CA-O 3.4Å; N189-N226 WeakPolarHBondContact OD1-CB 3.32Å; N189-N226 PolarHBondContact OD1-ND2 2.88Å; N189-I228 HydrophobicContact CB-CD1 4.32Å; N189-S288 WeakPolarHBondContact CB-O 3.4Å; N189-S288 PolarHBondContact ND2-O 2.77Å; N189-E290 PolarHBondContact O-N 3.47Å; N189-M291 PolarHBondContact O-N 3.41Å; N189-M291 VanDerWaalsContact O-N 3.1Å
190	A	98.9	Very high	98.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	103.2	165.1	0	0	0	0	0	108.5	F185 F192 F216 N226 I228 M291	F185-A190 HydrophobicContact CD2-CB 4.38Å; F185-A190 HydrophobicContact CE2-CB 3.85Å; A190-F192 HydrophobicContact CB-CE2 3.93Å; A190-F192 HydrophobicContact CB-CZ 4.41Å; A190-F192 WeakPolarHBondContact O-CD2 3.3Å; A190-F192 WeakPolarHBondContact O-CE2 3.21Å; A190-F216 HydrophobicContact CB-CE2 3.77Å; A190-F216 HydrophobicContact CB-CZ 4.02Å; A190-N226 PolarHBondContact N-O 3.28Å; A190-I228 PolarHBondContact O-N 2.71Å; A190-M291 CarbonylContact C-O 3.55Å; A190-M291 WeakPolarHBondContact CA-O 3.45Å; A190-M291 HydrophobicContact CB-CB 4.3Å
191	I	99	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.8	-170.9	-48.1	-176.1	0	0	0	110.5	N189 T193 I228 F275 I287 M291 L292 H293	N189-I191 HydrophobicContact CB-CD1 4.13Å; N189-I191 HydrophobicContact CB-CG1 3.89Å; I191-T193 HydrophobicContact CG2-CG2 4.46Å; I191-I228 CarbonylContact C-O 3.35Å; I191-I228 WeakPolarHBondContact CA-O 3.28Å; I191-I228 HydrophobicContact CG1-CB 4.47Å; I191-I228 HydrophobicContact CG1-CD1 4.44Å; I191-F275 HydrophobicContact CG2-CE2 4.34Å; I191-F275 HydrophobicContact CG2-CZ 3.78Å; I191-I287 HydrophobicContact CD1-CB 4.04Å; I191-I287 HydrophobicContact CD1-CG2 3.62Å; I191-M291 PolarHBondContact N-O 2.82Å; I191-L292 HydrophobicContact CB-CD1 3.91Å; I191-L292 HydrophobicContact CG2-CD1 4.05Å; I191-L292 CarbonylContact O-C 3.37Å; I191-L292 WeakPolarHBondContact O-CA 3.41Å; I191-H293 PolarHBondContact O-N 3.15Å
192	F	98.9	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.4	179	-58.7	-91.3	0	0	0	108.3	A190 I208 M209 S212 I227 I228 F229 N230 M291 H293	A190-F192 HydrophobicContact CB-CE2 3.93Å; A190-F192 HydrophobicContact CB-CZ 4.41Å; A190-F192 WeakPolarHBondContact O-CD2 3.3Å; A190-F192 WeakPolarHBondContact O-CE2 3.21Å; F192-I208 HydrophobicContact CD1-CG2 3.97Å; F192-I208 HydrophobicContact CE1-CG1 4.13Å; F192-I208 HydrophobicContact CE1-CG2 4.28Å; F192-M209 HydrophobicContact CB-CB 4.24Å; F192-M209 HydrophobicContact CD1-CB 3.96Å; F192-M209 HydrophobicContact CD2-CB 3.73Å; F192-M209 HydrophobicContact CD2-CG 3.7Å; F192-M209 HydrophobicContact CE1-CB 4.34Å; F192-M209 HydrophobicContact CE2-CB 4.13Å; F192-M209 HydrophobicContact CE2-CG 4.01Å; F192-M209 HydrophobicContact CG-CB 3.67Å; F192-M209 HydrophobicContact CG-CG 4.16Å; F192-M209 HydrophobicContact CZ-CB 4.44Å; F192-S212 WeakPolarHBondContact CZ-OG 3.4Å; F192-I227 HydrophobicContact CD2-CG2 4.35Å; F192-I227 HydrophobicContact CE2-CG2 4.05Å; F192-I228 PolarHBondContact N-O 3.1Å; F192-F229 HydrophobicContact CB-CD2 3.87Å; F192-F229 WeakPolarHBondContact O-CA 3.49Å; F192-F229 WeakPolarHBondContact O-CD2 3.49Å; F192-N230 PolarHBondContact O-N 3.44Å; F192-M291 HydrophobicContact CE1-CE 3.98Å; F192-M291 HydrophobicContact CZ-CE 4.07Å; F192-M291 HydrophobicContact CZ-SD 4.21Å; F192-H293 HydrophobicContact CD1-CB 3.57Å; F192-H293 HydrophobicContact CE1-CB 3.87Å; F192-H293 HydrophobicContact CG-CB 4.49Å
193	T	98.9	Very high	98.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.8	-172.7	76.4	0	0	0	0	114.6	I191 P205 N230 L263 F275 L292 H293 T295	I191-T193 HydrophobicContact CG2-CG2 4.46Å; T193-P205 WeakPolarHBondContact O-CB 3.38Å; T193-N230 VanDerWaalsContact CA-O 3.31Å; T193-N230 WeakPolarHBondContact CA-O 3.4Å; T193-L263 HydrophobicContact CG2-CB 4.17Å; T193-L263 HydrophobicContact CG2-CD2 4Å; T193-F275 HydrophobicContact CG2-CE1 3.68Å; T193-F275 HydrophobicContact CG2-CZ 3.87Å; T193-L292 HydrophobicContact CG2-CD1 3.95Å; T193-H293 PolarHBondContact N-O 3.44Å; T193-H293 VanDerWaalsContact N-O 3.14Å; T193-T295 WeakPolarHBondContact O-CB 3.44Å; T193-T295 PolarHBondContact O-OG1 3.07Å; T193-T295 PolarHBondContact OG1-N 2.93Å
194	F	98.9	Very high	98.1	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.044	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124	168.4	-170.8	-67.7	0	0	0	110	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 4.45Å; F194-V199 HydrophobicContact CZ-CG2 3.51Å; F194-A202 HydrophobicContact CE2-CB 3.99Å; F194-A202 WeakPolarHBondContact CE2-O 3.46Å; F194-A202 HydrophobicContact CZ-CB 4.26Å; F194-P205 HydrophobicContact CD2-CB 4.44Å; F194-P205 HydrophobicContact CD2-CG 3.88Å; F194-P205 HydrophobicContact CE2-CG 4.48Å; F194-F229 HydrophobicContact CB-CE2 4.02Å; F194-F229 HydrophobicContact CB-CZ 3.83Å; F194-F229 HydrophobicContact CD2-CZ 4.35Å; F194-N230 PolarHBondContact N-O 3.45Å; F194-T231 WeakPolarHBondContact CB-OG1 3.46Å; F194-S232 WeakPolarHBondContact O-CB 3.38Å; F194-S232 PolarHBondContact O-N 2.92Å; F194-S232 PolarHBondContact O-OG 2.96Å; F194-L233 HydrophobicContact CD1-CD1 4.27Å; F194-L233 HydrophobicContact CD1-CD2 4.45Å; F194-L233 HydrophobicContact CD1-CG 3.92Å; F194-L233 HydrophobicContact CE1-CD1 3.82Å; F194-L233 HydrophobicContact CE1-CD2 3.88Å; F194-L233 HydrophobicContact CE1-CG 3.7Å; F194-L233 HydrophobicContact CE2-CD1 4.07Å; F194-L233 HydrophobicContact CZ-CD1 3.71Å; F194-L233 HydrophobicContact CZ-CD2 4.43Å; F194-L233 HydrophobicContact CZ-CG 4.14Å
195	P	98.9	Very high	98.1	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.019	18%	0.177	C	C	.	.			trans	-80	162.3	-170.3	36.4	-41.2	0	0	0	113.2	T197 V199 N262 T295 P296 P297	P195-T197 PolarHBondContact O-N 2.89Å; P195-V199 HydrophobicContact CG-CG1 3.6Å; P195-N262 WeakPolarHBondContact CA-OD1 3.43Å; P195-T295 VanDerWaalsContact CD-CG2 3.48Å; P195-T295 HydrophobicContact CG-CG2 4.1Å; P195-P296 WeakPolarHBondContact CG-O 3.16Å; P195-P297 HydrophobicContact CB-CB 4.34Å; P195-P297 HydrophobicContact CB-CG 4.02Å
196	N	98.6	Very high	98.1	Very high	98 Å²	98	31.7 Å²	31.7	52%	0.524	18%	0.178	S	C	.	.	S	Bend	trans	-79.6	50.4	174.9	-162.6	15.1	0	0	0	112.7	S232 N262 L278	N196-S232 PolarHBondContact N-OG 3.07Å; N196-N262 HydrophobicContact CB-CB 4.36Å; N196-N262 PolarHBondContact N-OD1 3.27Å; N196-L278 HydrophobicContact CB-CD1 4.21Å
197	T	98.5	Very high	98.1	Very high	40 Å²	40	24.7 Å²	24.7	25%	0.245	15%	0.147	C	C	.	.	S	Bend	trans	-144.3	163.6	179.1	69.3	0	0	0	0	111.7	P195 P297 M298	P195-T197 PolarHBondContact O-N 2.89Å; T197-P297 HydrophobicContact CG2-CB 3.86Å; T197-M298 WeakPolarHBondContact CB-O 3.48Å; T197-M298 PolarHBondContact OG1-N 2.83Å; T197-M298 PolarHBondContact OG1-O 2.98Å
198	P	97.8	Very high	98.1	Very high	71 Å²	71	19.5 Å²	19.5	46%	0.461	12%	0.123	S	C	.	.			trans	-53.7	148.2	157.4	-24.4	36.2	0	0	0	111	M298 W315	P198-M298 WeakPolarHBondContact O-CB 3.47Å; P198-W315 HydrophobicContact CB-CH2 4.32Å; P198-W315 HydrophobicContact CB-CZ2 3.92Å; P198-W315 HydrophobicContact CG-CZ2 3.98Å
199	V	97.7	Very high	98.1	Very high	13 Å²	13	18.1 Å²	18.1	8%	0.079	11%	0.108	C	C	.	.			trans	-142.4	154.7	179.4	-63.1	0	0	0	0	111.6	F194 P195 A202 T295 M298	F194-V199 HydrophobicContact CE1-CG2 4.38Å; F194-V199 HydrophobicContact CE2-CG2 3.8Å; F194-V199 HydrophobicContact CZ-CG1 4.45Å; F194-V199 HydrophobicContact CZ-CG2 3.51Å; P195-V199 HydrophobicContact CG-CG1 3.6Å; V199-A202 HydrophobicContact CG2-CB 3.95Å; V199-T295 HydrophobicContact CG1-CG2 4.38Å; V199-M298 HydrophobicContact CB-CE 3.81Å; V199-M298 HydrophobicContact CB-SD 3.82Å; V199-M298 HydrophobicContact CG1-CE 3.74Å; V199-M298 HydrophobicContact CG1-CG 4.19Å; V199-M298 HydrophobicContact CG1-SD 4.01Å
200	K	97.2	Very high	98.1	Very high	27 Å²	27	16.6 Å²	16.6	12%	0.117	10%	0.1	C	C	.	.	S	Bend	trans	-75.6	137	164.1	57.9	-177	163.5	-167.6	0	110.9	I147 Y170 M298 D336 K344	I147-K200 HydrophobicContact CG2-CB 3.94Å; I147-K200 HydrophobicContact CG2-CD 3.58Å; I147-K200 HydrophobicContact CG2-CG 3.8Å; Y170-K200 HydrophobicContact CD1-CG 4.27Å; Y170-K200 HydrophobicContact CE1-CG 4Å; Y170-K200 WeakPolarHBondContact CE1-O 3.16Å; Y170-K200 PolarHBondContact OH-O 2.82Å; K200-M298 HydrophobicContact CG-SD 4Å; K200-D336 WeakPolarHBondContact CB-OD2 3.13Å; K200-K344 WeakPolarHBondContact CA-O 3.23Å
201	C	95.3	Very high	98.1	Very high	33 Å²	33	16.6 Å²	16.6	22%	0.223	10%	0.1	C	C	.	.	S	Bend	trans	47.1	70.2	-179.4	-164.6	0	0	0	0	113.5	Y170 G203 A204 K207 K344	Y170-C201 PolarHBondContact OH-O 3.1Å; C201-G203 PolarHBondContact O-N 2.96Å; C201-A204 HydrophobicContact CB-CB 4.29Å; C201-A204 WeakPolarHBondContact O-CB 3.14Å; C201-A204 PolarHBondContact O-N 3.39Å; C201-K207 PolarHBondContact SG-NZ 3.14Å; C201-K207 VanDerWaalsContact SG-NZ 3.37Å; C201-K344 PolarHBondContact N-O 3.2Å
202	A	95	Very high	98.1	Very high	30 Å²	30	16.6 Å²	16.6	25%	0.248	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-22.4	-175.7	0	0	0	0	0	115.9	F194 V199 P205	F194-A202 HydrophobicContact CE2-CB 3.99Å; F194-A202 WeakPolarHBondContact CE2-O 3.46Å; F194-A202 HydrophobicContact CZ-CB 4.26Å; V199-A202 HydrophobicContact CG2-CB 3.95Å; A202-P205 VanDerWaalsContact O-CD 3.27Å; A202-P205 WeakPolarHBondContact O-CD 3.41Å
203	G	96.4	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.9	172.5	0	0	0	0	0	115	C201 Q206 K207	C201-G203 PolarHBondContact O-N 2.96Å; G203-Q206 WeakPolarHBondContact O-CG 3.27Å; G203-Q206 PolarHBondContact O-N 3.2Å; G203-K207 VanDerWaalsContact C-CE 3.41Å; G203-K207 WeakPolarHBondContact O-CE 3.47Å; G203-K207 VanDerWaalsContact O-CG 3.25Å; G203-K207 WeakPolarHBondContact O-CG 3.5Å; G203-K207 PolarHBondContact O-N 2.73Å; G203-K207 VanDerWaalsContact O-N 3.1Å
204	A	97.6	Very high	98.1	Very high	10 Å²	10	17.2 Å²	17.2	8%	0.083	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-29.8	-174.2	0	0	0	0	0	116.3	C201 K207 I208	C201-A204 HydrophobicContact CB-CB 4.29Å; C201-A204 WeakPolarHBondContact O-CB 3.14Å; C201-A204 PolarHBondContact O-N 3.39Å; A204-K207 PolarHBondContact O-N 2.81Å; A204-I208 PolarHBondContact O-N 2.66Å
205	P	98.7	Very high	98.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.2	-42.8	176.1	-24.7	38.3	0	0	0	112.9	Y170 T193 F194 A202 I208 F229 T295	Y170-P205 HydrophobicContact CE2-CG 4.2Å; Y170-P205 WeakPolarHBondContact OH-CD 3.49Å; T193-P205 WeakPolarHBondContact O-CB 3.38Å; F194-P205 HydrophobicContact CD2-CB 4.44Å; F194-P205 HydrophobicContact CD2-CG 3.88Å; F194-P205 HydrophobicContact CE2-CG 4.48Å; A202-P205 VanDerWaalsContact O-CD 3.27Å; A202-P205 WeakPolarHBondContact O-CD 3.41Å; P205-I208 WeakPolarHBondContact O-CG2 3.12Å; P205-F229 HydrophobicContact CB-CE2 3.85Å; P205-F229 HydrophobicContact CB-CZ 4.22Å; P205-T295 VanDerWaalsContact CB-OG1 3.3Å; P205-T295 WeakPolarHBondContact CB-OG1 3.44Å; P205-T295 HydrophobicContact CG-CG2 3.95Å; P205-T295 WeakPolarHBondContact CG-OG1 3.35Å
206	Q	98.6	Very high	98.1	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-76	-28.7	176.3	57.2	179.5	-87.1	0	0	113	G203 I208 M209 Y210 F229 I236	G203-Q206 WeakPolarHBondContact O-CG 3.27Å; G203-Q206 PolarHBondContact O-N 3.2Å; Q206-I208 VanDerWaalsContact C-N 3.28Å; Q206-I208 PolarHBondContact O-N 2.88Å; Q206-M209 HydrophobicContact CB-CE 4.38Å; Q206-M209 WeakPolarHBondContact O-CB 3.31Å; Q206-M209 PolarHBondContact O-N 3.06Å; Q206-M209 VanDerWaalsContact O-N 3.11Å; Q206-Y210 HydrophobicContact CB-CE2 3.86Å; Q206-Y210 HydrophobicContact CG-CE2 4.02Å; Q206-Y210 WeakPolarHBondContact O-CD2 3.42Å; Q206-Y210 PolarHBondContact O-N 3.21Å; Q206-Y210 PolarHBondContact OE1-OH 3.05Å; Q206-F229 HydrophobicContact CB-CE1 4.31Å; Q206-F229 HydrophobicContact CB-CZ 4.31Å; Q206-I236 PolarHBondContact NE2-O 3.24Å
207	K	98.9	Very high	98.1	Very high	7 Å²	7	20 Å²	20	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-57	-41.6	174.6	-72.6	172.5	-142.8	-169	0	112.6	T87 C201 G203 A204 Y210 L211 C379 P380 V382	T87-K207 HydrophobicContact CG2-CB 3.53Å; T87-K207 HydrophobicContact CG2-CD 4.08Å; T87-K207 HydrophobicContact CG2-CG 4.41Å; C201-K207 PolarHBondContact SG-NZ 3.14Å; C201-K207 VanDerWaalsContact SG-NZ 3.37Å; G203-K207 VanDerWaalsContact C-CE 3.41Å; G203-K207 WeakPolarHBondContact O-CE 3.47Å; G203-K207 VanDerWaalsContact O-CG 3.25Å; G203-K207 WeakPolarHBondContact O-CG 3.5Å; G203-K207 PolarHBondContact O-N 2.73Å; G203-K207 VanDerWaalsContact O-N 3.1Å; A204-K207 PolarHBondContact O-N 2.81Å; K207-Y210 PolarHBondContact O-N 3.15Å; K207-L211 WeakPolarHBondContact O-CD1 3.4Å; K207-L211 WeakPolarHBondContact O-CG 3.21Å; K207-L211 PolarHBondContact O-N 3.31Å; K207-L211 VanDerWaalsContact O-N 3.1Å; K207-C379 VanDerWaalsContact CE-SG 3.55Å; K207-C379 PolarHBondContact NZ-SG 2.94Å; K207-P380 WeakPolarHBondContact CD-O 3.34Å; K207-P380 WeakPolarHBondContact CE-O 3.46Å; K207-P380 PolarHBondContact NZ-O 3.09Å; K207-V382 WeakPolarHBondContact CA-O 3.36Å; K207-V382 HydrophobicContact CB-CB 4.36Å; K207-V382 HydrophobicContact CD-CB 4.49Å; K207-V382 HydrophobicContact CD-CG2 4.42Å; K207-V382 HydrophobicContact CG-CB 4.3Å
208	I	98.9	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-72.9	-33.4	177.4	-178	64.5	0	0	0	111.6	G90 A91 N169 T178 F192 A204 P205 Q206 Y210 L211 S212	G90-I208 WeakPolarHBondContact O-CD1 3.34Å; A91-I208 HydrophobicContact CB-CD1 3.98Å; N169-I208 WeakPolarHBondContact ND2-CB 3.06Å; N169-I208 WeakPolarHBondContact ND2-CG1 3.47Å; T178-I208 HydrophobicContact CG2-CD1 4.11Å; T178-I208 HydrophobicContact CG2-CG1 3.91Å; F192-I208 HydrophobicContact CD1-CG2 3.97Å; F192-I208 HydrophobicContact CE1-CG1 4.13Å; F192-I208 HydrophobicContact CE1-CG2 4.28Å; A204-I208 PolarHBondContact O-N 2.66Å; P205-I208 WeakPolarHBondContact O-CG2 3.12Å; Q206-I208 VanDerWaalsContact C-N 3.28Å; Q206-I208 PolarHBondContact O-N 2.88Å; I208-Y210 PolarHBondContact O-N 2.79Å; I208-L211 HydrophobicContact CD1-CB 4.43Å; I208-L211 PolarHBondContact O-N 2.89Å; I208-S212 WeakPolarHBondContact O-CB 3.48Å; I208-S212 PolarHBondContact O-N 2.86Å; I208-S212 PolarHBondContact O-OG 2.71Å
209	M	98.9	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56	-51.1	168.6	-179.3	-173	60.7	0	0	111.8	F192 Q206 L211 S212 E213 I227 F229 L255	F192-M209 HydrophobicContact CB-CB 4.24Å; F192-M209 HydrophobicContact CD1-CB 3.96Å; F192-M209 HydrophobicContact CD2-CB 3.73Å; F192-M209 HydrophobicContact CD2-CG 3.7Å; F192-M209 HydrophobicContact CE1-CB 4.34Å; F192-M209 HydrophobicContact CE2-CB 4.13Å; F192-M209 HydrophobicContact CE2-CG 4.01Å; F192-M209 HydrophobicContact CG-CB 3.67Å; F192-M209 HydrophobicContact CG-CG 4.16Å; F192-M209 HydrophobicContact CZ-CB 4.44Å; Q206-M209 HydrophobicContact CB-CE 4.38Å; Q206-M209 WeakPolarHBondContact O-CB 3.31Å; Q206-M209 PolarHBondContact O-N 3.06Å; Q206-M209 VanDerWaalsContact O-N 3.11Å; M209-L211 VanDerWaalsContact C-N 3.3Å; M209-L211 PolarHBondContact O-N 2.79Å; M209-S212 PolarHBondContact O-N 3.32Å; M209-S212 VanDerWaalsContact O-N 3.17Å; M209-E213 WeakPolarHBondContact O-CB 3.2Å; M209-E213 PolarHBondContact O-N 3.31Å; M209-I227 HydrophobicContact CG-CG2 3.56Å; M209-I227 HydrophobicContact SD-CG2 4Å; M209-F229 HydrophobicContact CE-CB 4.35Å; M209-F229 HydrophobicContact SD-CB 3.71Å; M209-F229 HydrophobicContact SD-CG 4.5Å; M209-L255 HydrophobicContact CE-CD1 3.92Å; M209-L255 HydrophobicContact SD-CD1 4.26Å
210	Y	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-33.1	-179.8	-54.9	-52.6	0	0	0	112.8	Q206 K207 I208 A214 L246 I249 I250 L255 T383	Q206-Y210 HydrophobicContact CB-CE2 3.86Å; Q206-Y210 HydrophobicContact CG-CE2 4.02Å; Q206-Y210 WeakPolarHBondContact O-CD2 3.42Å; Q206-Y210 PolarHBondContact O-N 3.21Å; Q206-Y210 PolarHBondContact OE1-OH 3.05Å; K207-Y210 PolarHBondContact O-N 3.15Å; I208-Y210 PolarHBondContact O-N 2.79Å; Y210-A214 WeakPolarHBondContact O-CB 3.45Å; Y210-A214 PolarHBondContact O-N 3.16Å; Y210-A214 VanDerWaalsContact O-N 3.1Å; Y210-L246 HydrophobicContact CE2-CD2 3.71Å; Y210-I249 HydrophobicContact CD1-CG2 3.76Å; Y210-I249 HydrophobicContact CE1-CG2 3.64Å; Y210-I250 HydrophobicContact CE1-CG1 4.4Å; Y210-L255 HydrophobicContact CD1-CD1 3.96Å; Y210-L255 HydrophobicContact CE1-CD1 3.98Å; Y210-T383 HydrophobicContact CD2-CG2 4.32Å
211	L	98.9	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.8	-35.2	173.2	-75.5	162.9	0	0	0	112.7	T87 L88 A91 K207 I208 M209 Y215 V382 Y385	T87-L211 HydrophobicContact CG2-CD1 4Å; L88-L211 HydrophobicContact CD2-CD1 4.07Å; A91-L211 HydrophobicContact CB-CB 3.89Å; A91-L211 HydrophobicContact CB-CD1 3.8Å; A91-L211 HydrophobicContact CB-CD2 4.37Å; A91-L211 HydrophobicContact CB-CG 4.25Å; K207-L211 WeakPolarHBondContact O-CD1 3.4Å; K207-L211 WeakPolarHBondContact O-CG 3.21Å; K207-L211 PolarHBondContact O-N 3.31Å; K207-L211 VanDerWaalsContact O-N 3.1Å; I208-L211 HydrophobicContact CD1-CB 4.43Å; I208-L211 PolarHBondContact O-N 2.89Å; M209-L211 VanDerWaalsContact C-N 3.3Å; M209-L211 PolarHBondContact O-N 2.79Å; L211-Y215 WeakPolarHBondContact O-CB 3.27Å; L211-Y215 PolarHBondContact O-N 3.41Å; L211-V382 HydrophobicContact CD1-CB 4.28Å; L211-V382 HydrophobicContact CD1-CG1 3.82Å; L211-V382 HydrophobicContact CD2-CG1 3.77Å; L211-V382 HydrophobicContact CG-CG1 3.89Å; L211-Y385 HydrophobicContact CD2-CD1 3.98Å; L211-Y385 HydrophobicContact CD2-CD2 4.17Å; L211-Y385 HydrophobicContact CD2-CE1 3.94Å; L211-Y385 HydrophobicContact CD2-CE2 4.12Å; L211-Y385 HydrophobicContact CD2-CG 4.08Å; L211-Y385 WeakPolarHBondContact O-CE2 3.42Å; L211-Y385 PolarHBondContact O-OH 2.81Å; L211-Y385 VanDerWaalsContact O-OH 3.09Å
212	S	98.9	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.1	-45.2	174.3	-66.3	0	0	0	0	111.5	L182 F192 I208 M209 A214 Y215 F216	L182-S212 WeakPolarHBondContact CD1-OG 3.22Å; F192-S212 WeakPolarHBondContact CZ-OG 3.4Å; I208-S212 WeakPolarHBondContact O-CB 3.48Å; I208-S212 PolarHBondContact O-N 2.86Å; I208-S212 PolarHBondContact O-OG 2.71Å; M209-S212 PolarHBondContact O-N 3.32Å; M209-S212 VanDerWaalsContact O-N 3.17Å; S212-A214 PolarHBondContact O-N 3.23Å; S212-Y215 WeakPolarHBondContact O-CB 3.45Å; S212-Y215 PolarHBondContact O-N 2.75Å; S212-Y215 VanDerWaalsContact O-N 3.1Å; S212-F216 WeakPolarHBondContact O-CD2 3.48Å; S212-F216 VanDerWaalsContact O-CG 3.22Å; S212-F216 WeakPolarHBondContact O-CG 3.21Å; S212-F216 PolarHBondContact O-N 2.78Å
213	E	98.9	Very high	98.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-51.9	-53.3	171.6	-171.4	-63	126.5	0	0	111.3	M209 Y215 F216 R217 R222 I227 R253 L255	M209-E213 WeakPolarHBondContact O-CB 3.2Å; M209-E213 PolarHBondContact O-N 3.31Å; E213-Y215 VanDerWaalsContact C-N 3.26Å; E213-Y215 PolarHBondContact O-N 2.97Å; E213-F216 PolarHBondContact O-N 2.99Å; E213-R217 VanDerWaalsContact CD-NE 3.29Å; E213-R217 PolarHBondContact O-N 2.79Å; E213-R217 VanDerWaalsContact OE1-CD 3.3Å; E213-R217 WeakPolarHBondContact OE1-CD 3.06Å; E213-R217 WeakPolarHBondContact OE1-CG 3.33Å; E213-R217 IonicContact OE1-CZ 2.72Å; E213-R217 IonicContact OE1-NE 3.38Å; E213-R217 PolarHBondContact OE1-NE 2.96Å; E213-R217 IonicContact OE1-NH2 3.36Å; E213-R217 IonicContact OE2-CZ 3.1Å; E213-R217 VanDerWaalsContact OE2-CZ 3.28Å; E213-R217 IonicContact OE2-NE 2.65Å; E213-R217 PolarHBondContact OE2-NE 2.83Å; E213-R217 IonicContact OE2-NH2 3.4Å; E213-R217 PolarHBondContact OE2-NH2 3.1Å; E213-R222 WeakPolarHBondContact OE1-CD 3.44Å; E213-R222 IonicContact OE1-NE 3.7Å; E213-R222 PolarHBondContact OE1-NE 3.17Å; E213-I227 HydrophobicContact CB-CD1 3.82Å; E213-I227 HydrophobicContact CG-CD1 3.81Å; E213-R253 HydrophobicContact CG-CB 4.2Å; E213-R253 WeakPolarHBondContact OE2-CD 3.3Å; E213-R253 IonicContact OE2-NH1 2.66Å; E213-L255 HydrophobicContact CB-CD2 4.43Å; E213-L255 HydrophobicContact CG-CD2 3.72Å
214	A	98.9	Very high	98.7	Very high	15 Å²	15	38 Å²	38	12%	0.124	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-30.4	179.2	0	0	0	0	0	112.7	Y210 S212 K218 Y385	Y210-A214 WeakPolarHBondContact O-CB 3.45Å; Y210-A214 PolarHBondContact O-N 3.16Å; Y210-A214 VanDerWaalsContact O-N 3.1Å; S212-A214 PolarHBondContact O-N 3.23Å; A214-K218 WeakPolarHBondContact O-CB 3.25Å; A214-K218 PolarHBondContact O-N 3.43Å; A214-Y385 HydrophobicContact CB-CD2 3.92Å; A214-Y385 HydrophobicContact CB-CE2 4.03Å
215	Y	98.9	Very high	98.8	Very high	37 Å²	37	37.9 Å²	37.9	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-69.6	-47.4	173.9	-175.9	-102.9	0	0	0	111.2	W179 L182 L211 S212 E213 R217 K218 T219	W179-Y215 HydrophobicContact CH2-CD2 4.24Å; W179-Y215 AromaticContact CH2-CE2 3.57Å; W179-Y215 HydrophobicContact CH2-CE2 3.57Å; W179-Y215 AromaticContact CH2-CZ 3.91Å; W179-Y215 HydrophobicContact CZ3-CD2 4.09Å; W179-Y215 AromaticContact CZ3-CE2 3.79Å; W179-Y215 HydrophobicContact CZ3-CE2 3.79Å; L182-Y215 HydrophobicContact CD1-CD1 3.63Å; L182-Y215 HydrophobicContact CD1-CE1 4.4Å; L182-Y215 HydrophobicContact CD1-CG 4.23Å; L182-Y215 HydrophobicContact CD2-CD1 4.28Å; L182-Y215 HydrophobicContact CD2-CG 4.21Å; L182-Y215 HydrophobicContact CG-CD1 3.63Å; L182-Y215 HydrophobicContact CG-CE1 4.11Å; L182-Y215 HydrophobicContact CG-CG 4.06Å; L182-Y215 VanDerWaalsContact O-CE1 3.28Å; L182-Y215 WeakPolarHBondContact O-CE1 3.44Å; L211-Y215 WeakPolarHBondContact O-CB 3.27Å; L211-Y215 PolarHBondContact O-N 3.41Å; S212-Y215 WeakPolarHBondContact O-CB 3.45Å; S212-Y215 PolarHBondContact O-N 2.75Å; S212-Y215 VanDerWaalsContact O-N 3.1Å; E213-Y215 VanDerWaalsContact C-N 3.26Å; E213-Y215 PolarHBondContact O-N 2.97Å; Y215-R217 VanDerWaalsContact C-N 3.27Å; Y215-R217 PolarHBondContact O-N 2.9Å; Y215-K218 CarbonylContact O-C 3.51Å; Y215-K218 WeakPolarHBondContact O-CA 3.47Å; Y215-K218 WeakPolarHBondContact O-CB 3.45Å; Y215-K218 PolarHBondContact O-N 3.3Å; Y215-T219 HydrophobicContact CD1-CG2 4.27Å; Y215-T219 HydrophobicContact CD2-CG2 4.19Å; Y215-T219 HydrophobicContact CE1-CG2 3.87Å; Y215-T219 HydrophobicContact CE2-CG2 3.76Å; Y215-T219 HydrophobicContact CG-CG2 4.43Å; Y215-T219 PolarHBondContact O-N 3.42Å; Y215-T219 PolarHBondContact O-OG1 3.19Å; Y215-T219 VanDerWaalsContact O-OG1 3.1Å
216	F	98.9	Very high	98.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-35.7	177.4	-58.3	-42.3	0	0	0	112	L182 F185 A190 S212 E213 G220 K221 R222 A225 I227 M291	L182-F216 HydrophobicContact CD1-CD1 4.19Å; L182-F216 HydrophobicContact CD1-CE1 3.45Å; L182-F216 VanDerWaalsContact CD1-CE1 3.45Å; L182-F216 HydrophobicContact CD1-CE2 4.34Å; L182-F216 HydrophobicContact CD1-CZ 3.54Å; F185-F216 HydrophobicContact CB-CE1 3.83Å; F185-F216 HydrophobicContact CB-CZ 4.32Å; F185-F216 AromaticContact CD1-CD1 3.99Å; F185-F216 HydrophobicContact CD1-CD1 3.99Å; F185-F216 AromaticContact CD1-CE1 3.44Å; F185-F216 HydrophobicContact CD1-CE1 3.44Å; F185-F216 VanDerWaalsContact CD1-CE1 3.44Å; F185-F216 AromaticContact CD1-CZ 3.94Å; F185-F216 HydrophobicContact CD1-CZ 3.94Å; F185-F216 HydrophobicContact CD2-CE1 4.09Å; F185-F216 AromaticContact CD2-CZ 3.84Å; F185-F216 HydrophobicContact CD2-CZ 3.84Å; F185-F216 HydrophobicContact CE1-CD1 4.42Å; F185-F216 HydrophobicContact CE1-CE1 4.07Å; F185-F216 HydrophobicContact CE1-CZ 4.28Å; F185-F216 HydrophobicContact CE2-CZ 4.15Å; F185-F216 HydrophobicContact CG-CD1 4.46Å; F185-F216 AromaticContact CG-CE1 3.49Å; F185-F216 HydrophobicContact CG-CE1 3.49Å; F185-F216 VanDerWaalsContact CG-CE1 3.49Å; F185-F216 AromaticContact CG-CZ 3.75Å; F185-F216 HydrophobicContact CG-CZ 3.75Å; F185-F216 HydrophobicContact CZ-CZ 4.39Å; A190-F216 HydrophobicContact CB-CE2 3.77Å; A190-F216 HydrophobicContact CB-CZ 4.02Å; S212-F216 WeakPolarHBondContact O-CD2 3.48Å; S212-F216 VanDerWaalsContact O-CG 3.22Å; S212-F216 WeakPolarHBondContact O-CG 3.21Å; S212-F216 PolarHBondContact O-N 2.78Å; E213-F216 PolarHBondContact O-N 2.99Å; F216-G220 CarbonylContact O-C 3.39Å; F216-G220 PolarHBondContact O-N 3.37Å; F216-K221 HydrophobicContact CB-CB 4.33Å; F216-K221 HydrophobicContact CD1-CB 4.27Å; F216-K221 CarbonylContact O-C 3.6Å; F216-K221 PolarHBondContact O-N 3.01Å; F216-R222 HydrophobicContact CB-CB 4.18Å; F216-R222 PolarHBondContact O-N 3.24Å; F216-A225 HydrophobicContact CB-CB 4.4Å; F216-A225 HydrophobicContact CD2-CB 3.68Å; F216-A225 HydrophobicContact CE2-CB 4.07Å; F216-A225 HydrophobicContact CG-CB 4.06Å; F216-I227 HydrophobicContact CD2-CD1 3.95Å; F216-I227 HydrophobicContact CD2-CG1 4.43Å; F216-I227 HydrophobicContact CE2-CD1 4.39Å; F216-I227 HydrophobicContact CE2-CG1 4.49Å; F216-M291 HydrophobicContact CZ-SD 4.29Å
217	R	98.8	Very high	98.8	Very high	132 Å²	132	41.1 Å²	41.1	50%	0.498	22%	0.218	S	C	.	.	H	α-helix	trans	-64	-50.5	169.1	-79.5	-168.5	-72	146.4	-2.8	111.6	E213 Y215 T219 G220 R222	E213-R217 VanDerWaalsContact CD-NE 3.29Å; E213-R217 PolarHBondContact O-N 2.79Å; E213-R217 VanDerWaalsContact OE1-CD 3.3Å; E213-R217 WeakPolarHBondContact OE1-CD 3.06Å; E213-R217 WeakPolarHBondContact OE1-CG 3.33Å; E213-R217 IonicContact OE1-CZ 2.72Å; E213-R217 IonicContact OE1-NE 3.38Å; E213-R217 PolarHBondContact OE1-NE 2.96Å; E213-R217 IonicContact OE1-NH2 3.36Å; E213-R217 IonicContact OE2-CZ 3.1Å; E213-R217 VanDerWaalsContact OE2-CZ 3.28Å; E213-R217 IonicContact OE2-NE 2.65Å; E213-R217 PolarHBondContact OE2-NE 2.83Å; E213-R217 IonicContact OE2-NH2 3.4Å; E213-R217 PolarHBondContact OE2-NH2 3.1Å; Y215-R217 VanDerWaalsContact C-N 3.27Å; Y215-R217 PolarHBondContact O-N 2.9Å; R217-T219 PolarHBondContact O-N 3.44Å; R217-G220 PolarHBondContact O-N 3.27Å; R217-R222 HydrophobicContact CB-CB 4.47Å; R217-R222 HydrophobicContact CG-CB 3.72Å; R217-R222 HydrophobicContact CG-CG 3.68Å
218	K	98.6	Very high	98.8	Very high	173 Å²	173	41.3 Å²	41.3	75%	0.752	22%	0.219	S	C	*	.	H	α-helix	trans	-58.6	-30.9	179.5	-176.3	179	176.7	-175.9	0	113.5	A214 Y215	A214-K218 WeakPolarHBondContact O-CB 3.25Å; A214-K218 PolarHBondContact O-N 3.43Å; Y215-K218 CarbonylContact O-C 3.51Å; Y215-K218 WeakPolarHBondContact O-CA 3.47Å; Y215-K218 WeakPolarHBondContact O-CB 3.45Å; Y215-K218 PolarHBondContact O-N 3.3Å
219	T	98.7	Very high	98.8	Very high	55 Å²	55	41.4 Å²	41.4	34%	0.337	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	11.8	-178.7	64.7	0	0	0	0	114.2	Y215 R217 K221	Y215-T219 HydrophobicContact CD1-CG2 4.27Å; Y215-T219 HydrophobicContact CD2-CG2 4.19Å; Y215-T219 HydrophobicContact CE1-CG2 3.87Å; Y215-T219 HydrophobicContact CE2-CG2 3.76Å; Y215-T219 HydrophobicContact CG-CG2 4.43Å; Y215-T219 PolarHBondContact O-N 3.42Å; Y215-T219 PolarHBondContact O-OG1 3.19Å; Y215-T219 VanDerWaalsContact O-OG1 3.1Å; R217-T219 PolarHBondContact O-N 3.44Å; T219-K221 PolarHBondContact O-N 3.47Å
220	G	98.6	Very high	98.8	Very high	63 Å²	63	41.4 Å²	41.4	65%	0.649	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	10	179.4	0	0	0	0	0	115.6	F216 R217	F216-G220 CarbonylContact O-C 3.39Å; F216-G220 PolarHBondContact O-N 3.37Å; R217-G220 PolarHBondContact O-N 3.27Å
221	K	98.4	Very high	98.8	Very high	49 Å²	49	41.5 Å²	41.5	21%	0.213	22%	0.22	C	C	.	.			trans	-91.6	-7.3	-178.3	-61.3	-177.4	-176.1	179.8	0	113.8	Q183 F185 F216 T219 S223 K224 A225	Q183-K221 PolarHBondContact O-NZ 2.77Å; F185-K221 HydrophobicContact CD1-CD 4.42Å; F185-K221 VanDerWaalsContact O-CD 3.32Å; F185-K221 WeakPolarHBondContact O-CD 3.34Å; F185-K221 WeakPolarHBondContact O-CE 3.41Å; F185-K221 PolarHBondContact O-NZ 3.23Å; F216-K221 HydrophobicContact CB-CB 4.33Å; F216-K221 HydrophobicContact CD1-CB 4.27Å; F216-K221 CarbonylContact O-C 3.6Å; F216-K221 PolarHBondContact O-N 3.01Å; T219-K221 PolarHBondContact O-N 3.47Å; K221-S223 VanDerWaalsContact C-N 3.28Å; K221-S223 PolarHBondContact O-N 2.95Å; K221-K224 WeakPolarHBondContact O-CA 3.46Å; K221-K224 WeakPolarHBondContact O-CB 3.23Å; K221-K224 PolarHBondContact O-N 2.81Å; K221-A225 PolarHBondContact O-N 2.91Å
222	R	98.8	Very high	98.8	Very high	48 Å²	48	41.7 Å²	41.7	18%	0.181	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-58.1	-34.6	-171.5	179.7	62.7	-171.5	91.8	-10.2	114.2	E213 F216 R217 K224 A225 R253 N254	E213-R222 WeakPolarHBondContact OE1-CD 3.44Å; E213-R222 IonicContact OE1-NE 3.7Å; E213-R222 PolarHBondContact OE1-NE 3.17Å; F216-R222 HydrophobicContact CB-CB 4.18Å; F216-R222 PolarHBondContact O-N 3.24Å; R217-R222 HydrophobicContact CB-CB 4.47Å; R217-R222 HydrophobicContact CG-CB 3.72Å; R217-R222 HydrophobicContact CG-CG 3.68Å; R222-K224 PolarHBondContact O-N 3.34Å; R222-A225 PolarHBondContact NH1-O 3.41Å; R222-A225 PolarHBondContact O-N 2.98Å; R222-R253 PolarHBondContact NH2-O 2.91Å; R222-N254 PolarHBondContact NH2-O 3.26Å
223	S	98.6	Very high	98.8	Very high	114 Å²	114	45.2 Å²	45.2	80%	0.797	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-67.9	-22.8	175.7	47.1	0	0	0	0	113.6	K221	K221-S223 VanDerWaalsContact C-N 3.28Å; K221-S223 PolarHBondContact O-N 2.95Å
224	K	98.8	Very high	98.7	Very high	91 Å²	91	47.8 Å²	47.8	40%	0.396	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-93.6	-0.2	176.2	-64.6	-175.8	164.8	-73	0	113.2	E187 G188 K221 R222	E187-K224 CarbonylContact C-O 3.51Å; E187-K224 WeakPolarHBondContact CA-O 3.16Å; E187-K224 HydrophobicContact CB-CB 3.99Å; E187-K224 HydrophobicContact CB-CD 4.3Å; E187-K224 HydrophobicContact CB-CG 4.5Å; E187-K224 HydrophobicContact CG-CB 3.86Å; E187-K224 HydrophobicContact CG-CD 4.39Å; E187-K224 HydrophobicContact CG-CG 4.21Å; E187-K224 IonicContact OE1-NZ 2.62Å; E187-K224 PolarHBondContact OE1-NZ 3.44Å; E187-K224 IonicContact OE2-NZ 2.81Å; E187-K224 PolarHBondContact OE2-NZ 3.08Å; G188-K224 PolarHBondContact N-O 2.74Å; K221-K224 WeakPolarHBondContact O-CA 3.46Å; K221-K224 WeakPolarHBondContact O-CB 3.23Å; K221-K224 PolarHBondContact O-N 2.81Å; R222-K224 PolarHBondContact O-N 3.34Å
225	A	98.9	Very high	98.7	Very high	6 Å²	6	49.3 Å²	49.3	5%	0.05	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.9	-174.3	0	0	0	0	0	111.9	F185 F216 K221 R222 I227	F185-A225 HydrophobicContact CE1-CB 3.83Å; F185-A225 HydrophobicContact CZ-CB 3.76Å; F216-A225 HydrophobicContact CB-CB 4.4Å; F216-A225 HydrophobicContact CD2-CB 3.68Å; F216-A225 HydrophobicContact CE2-CB 4.07Å; F216-A225 HydrophobicContact CG-CB 4.06Å; K221-A225 PolarHBondContact O-N 2.91Å; R222-A225 PolarHBondContact NH1-O 3.41Å; R222-A225 PolarHBondContact O-N 2.98Å; A225-I227 HydrophobicContact CB-CD1 4.48Å; A225-I227 HydrophobicContact CB-CG1 4.17Å
226	N	98.9	Very high	98.6	Very high	73 Å²	73	48 Å²	48	39%	0.39	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.4	162.8	-175.7	23.7	0	0	0	108.4	G188 N189 A190	G188-N226 PolarHBondContact O-N 3.36Å; N189-N226 CarbonylContact C-O 3.55Å; N189-N226 WeakPolarHBondContact CA-O 3.4Å; N189-N226 WeakPolarHBondContact OD1-CB 3.32Å; N189-N226 PolarHBondContact OD1-ND2 2.88Å; A190-N226 PolarHBondContact N-O 3.28Å
227	I	98.9	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.6	-168.5	-55.2	175.1	0	0	0	109.2	F192 M209 E213 F216 A225 L255 T256	F192-I227 HydrophobicContact CD2-CG2 4.35Å; F192-I227 HydrophobicContact CE2-CG2 4.05Å; M209-I227 HydrophobicContact CG-CG2 3.56Å; M209-I227 HydrophobicContact SD-CG2 4Å; E213-I227 HydrophobicContact CB-CD1 3.82Å; E213-I227 HydrophobicContact CG-CD1 3.81Å; F216-I227 HydrophobicContact CD2-CD1 3.95Å; F216-I227 HydrophobicContact CD2-CG1 4.43Å; F216-I227 HydrophobicContact CE2-CD1 4.39Å; F216-I227 HydrophobicContact CE2-CG1 4.49Å; A225-I227 HydrophobicContact CB-CD1 4.48Å; A225-I227 HydrophobicContact CB-CG1 4.17Å; I227-L255 HydrophobicContact CB-CD2 3.81Å; I227-L255 HydrophobicContact CD1-CD2 3.87Å; I227-L255 HydrophobicContact CG1-CD2 4.41Å; I227-L255 HydrophobicContact CG2-CD2 3.86Å; I227-T256 PolarHBondContact O-N 2.89Å
228	I	98.9	Very high	98.4	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.051	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.3	-169.4	-53.7	173.2	0	0	0	110.1	N189 A190 I191 F192 N230 T256 N258	N189-I228 HydrophobicContact CB-CD1 4.32Å; A190-I228 PolarHBondContact O-N 2.71Å; I191-I228 CarbonylContact C-O 3.35Å; I191-I228 WeakPolarHBondContact CA-O 3.28Å; I191-I228 HydrophobicContact CG1-CB 4.47Å; I191-I228 HydrophobicContact CG1-CD1 4.44Å; F192-I228 PolarHBondContact N-O 3.1Å; I228-N230 WeakPolarHBondContact CG2-OD1 3.42Å; I228-T256 CarbonylContact C-O 3.53Å; I228-T256 WeakPolarHBondContact CA-O 3.42Å; I228-N258 WeakPolarHBondContact CG2-ND2 3.17Å
229	F	98.9	Very high	98.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	104	165.9	-174.2	-134.1	0	0	0	109.8	F192 F194 P205 Q206 M209 T231 I236 T256 V257 N258	F192-F229 HydrophobicContact CB-CD2 3.87Å; F192-F229 WeakPolarHBondContact O-CA 3.49Å; F192-F229 WeakPolarHBondContact O-CD2 3.49Å; F194-F229 HydrophobicContact CB-CE2 4.02Å; F194-F229 HydrophobicContact CB-CZ 3.83Å; F194-F229 HydrophobicContact CD2-CZ 4.35Å; P205-F229 HydrophobicContact CB-CE2 3.85Å; P205-F229 HydrophobicContact CB-CZ 4.22Å; Q206-F229 HydrophobicContact CB-CE1 4.31Å; Q206-F229 HydrophobicContact CB-CZ 4.31Å; M209-F229 HydrophobicContact CE-CB 4.35Å; M209-F229 HydrophobicContact SD-CB 3.71Å; M209-F229 HydrophobicContact SD-CG 4.5Å; F229-T231 HydrophobicContact CD1-CG2 4.02Å; F229-T231 HydrophobicContact CE1-CG2 3.92Å; F229-I236 HydrophobicContact CD1-CD1 3.91Å; F229-I236 HydrophobicContact CE1-CD1 3.83Å; F229-T256 PolarHBondContact N-O 2.83Å; F229-V257 HydrophobicContact CB-CG1 4.48Å; F229-V257 HydrophobicContact CB-CG2 4.24Å; F229-V257 HydrophobicContact CD1-CG1 3.95Å; F229-V257 HydrophobicContact CD1-CG2 4.48Å; F229-V257 WeakPolarHBondContact O-CA 3.36Å; F229-N258 PolarHBondContact O-N 2.88Å
230	N	98.9	Very high	98.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.6	172.6	-77.5	-0.5	0	0	0	108.1	F192 T193 F194 I228 N258 Q261 F275	F192-N230 PolarHBondContact O-N 3.44Å; T193-N230 VanDerWaalsContact CA-O 3.31Å; T193-N230 WeakPolarHBondContact CA-O 3.4Å; F194-N230 PolarHBondContact N-O 3.45Å; I228-N230 WeakPolarHBondContact CG2-OD1 3.42Å; N230-N258 WeakPolarHBondContact OD1-CB 3.28Å; N230-N258 PolarHBondContact OD1-ND2 3.03Å; N230-Q261 CarbonylContact C-O 3.57Å; N230-Q261 HydrophobicContact CB-CB 3.88Å; N230-F275 HydrophobicContact CB-CD1 3.64Å; N230-F275 HydrophobicContact CB-CE1 3.38Å; N230-F275 HydrophobicContact CB-CG 4.45Å; N230-F275 HydrophobicContact CB-CZ 4.01Å; N230-F275 VanDerWaalsContact ND2-CD1 3.29Å; N230-F275 WeakPolarHBondContact ND2-CD1 3.44Å; N230-F275 VanDerWaalsContact ND2-CD2 3.26Å; N230-F275 WeakPolarHBondContact ND2-CD2 3.24Å; N230-F275 VanDerWaalsContact ND2-CE1 3.3Å; N230-F275 WeakPolarHBondContact ND2-CE1 3.43Å; N230-F275 VanDerWaalsContact ND2-CE2 3.26Å; N230-F275 WeakPolarHBondContact ND2-CE2 3.32Å; N230-F275 VanDerWaalsContact ND2-CG 3.28Å; N230-F275 WeakPolarHBondContact ND2-CG 3.31Å; N230-F275 VanDerWaalsContact ND2-CZ 3.3Å; N230-F275 WeakPolarHBondContact ND2-CZ 3.33Å
231	T	98.9	Very high	98.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.7	-173.7	174.6	0	0	0	0	111.7	F194 F229 L233 V257 N258 Y259 K260 Q261	F194-T231 WeakPolarHBondContact CB-OG1 3.46Å; F229-T231 HydrophobicContact CD1-CG2 4.02Å; F229-T231 HydrophobicContact CE1-CG2 3.92Å; T231-L233 PolarHBondContact O-N 3.33Å; T231-L233 PolarHBondContact OG1-N 2.9Å; T231-V257 HydrophobicContact CG2-CG1 4Å; T231-N258 PolarHBondContact N-O 2.87Å; T231-Y259 HydrophobicContact CG2-CD1 3.63Å; T231-Y259 HydrophobicContact CG2-CE1 4.05Å; T231-Y259 CarbonylContact O-C 3.45Å; T231-K260 WeakPolarHBondContact O-CA 3.11Å; T231-K260 PolarHBondContact O-N 2.83Å; T231-Q261 CarbonylContact C-O 3.55Å; T231-Q261 PolarHBondContact N-O 2.92Å; T231-Q261 PolarHBondContact O-N 2.87Å
232	S	98.8	Very high	98.4	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.035	24%	0.24	C	C	.	.	S	Bend	trans	-67.7	-15.9	175.6	-57.7	0	0	0	0	113.5	F194 N196 K260 Q261 N262	F194-S232 WeakPolarHBondContact O-CB 3.38Å; F194-S232 PolarHBondContact O-N 2.92Å; F194-S232 PolarHBondContact O-OG 2.96Å; N196-S232 PolarHBondContact N-OG 3.07Å; S232-K260 WeakPolarHBondContact O-CD 3.37Å; S232-Q261 PolarHBondContact N-O 3.02Å; S232-N262 WeakPolarHBondContact OG-CA 3.48Å; S232-N262 VanDerWaalsContact OG-CB 3.23Å; S232-N262 WeakPolarHBondContact OG-CB 3.09Å; S232-N262 PolarHBondContact OG-OD1 2.95Å
233	L	98.1	Very high	98.4	Very high	74 Å²	74	38.6 Å²	38.6	39%	0.387	24%	0.238	S	C	.	.	S	Bend	trans	-79.7	161.6	179	-56.2	-176.7	0	0	0	112	F194 T231 Y259 K260	F194-L233 HydrophobicContact CD1-CD1 4.27Å; F194-L233 HydrophobicContact CD1-CD2 4.45Å; F194-L233 HydrophobicContact CD1-CG 3.92Å; F194-L233 HydrophobicContact CE1-CD1 3.82Å; F194-L233 HydrophobicContact CE1-CD2 3.88Å; F194-L233 HydrophobicContact CE1-CG 3.7Å; F194-L233 HydrophobicContact CE2-CD1 4.07Å; F194-L233 HydrophobicContact CZ-CD1 3.71Å; F194-L233 HydrophobicContact CZ-CD2 4.43Å; F194-L233 HydrophobicContact CZ-CG 4.14Å; T231-L233 PolarHBondContact O-N 3.33Å; T231-L233 PolarHBondContact OG1-N 2.9Å; L233-Y259 WeakPolarHBondContact O-CB 3.46Å; L233-Y259 WeakPolarHBondContact O-CD1 3.49Å; L233-K260 PolarHBondContact O-N 3.31Å; L233-K260 VanDerWaalsContact O-N 3.16Å
234	G	97.9	Very high	98.4	Very high	54 Å²	54	36.5 Å²	36.5	56%	0.557	22%	0.218	S	C	*	.	S	Bend	trans	-91.4	4.5	171.3	0	0	0	0	0	115.1
235	A	97.7	Very high	98.4	Very high	47 Å²	47	32.4 Å²	32.4	39%	0.388	20%	0.201	S	C	.	.	S	Bend	trans	-153.8	153.2	-178.8	0	0	0	0	0	111.3	F237	A235-F237 PolarHBondContact O-N 2.95Å
236	I	97.9	Very high	98.4	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.046	20%	0.199	C	C	.	.	S	Bend	trans	-68.7	-31.7	-179.6	-171.5	62.5	0	0	0	112.9	Q206 F229 A243 L246 I250 Y259	Q206-I236 PolarHBondContact NE2-O 3.24Å; F229-I236 HydrophobicContact CD1-CD1 3.91Å; F229-I236 HydrophobicContact CE1-CD1 3.83Å; I236-A243 HydrophobicContact CG2-CB 4.02Å; I236-L246 HydrophobicContact CG1-CB 4.09Å; I236-L246 HydrophobicContact CG1-CD1 4.38Å; I236-L246 HydrophobicContact CG2-CB 4.16Å; I236-I250 HydrophobicContact CB-CD1 4.31Å; I236-I250 HydrophobicContact CD1-CD1 3.82Å; I236-I250 HydrophobicContact CG1-CD1 3.7Å; I236-Y259 PolarHBondContact N-OH 2.85Å
237	F	98.2	Very high	98.4	Very high	21 Å²	21	31.9 Å²	31.9	9%	0.092	20%	0.195	C	C	.	.			trans	-154.8	150.5	178.7	-157.5	-104.6	0	0	0	111.1	A235 V239 Y242 A243 L246 C379 L381 A391 F393	A235-F237 PolarHBondContact O-N 2.95Å; F237-V239 VanDerWaalsContact C-N 3.31Å; F237-V239 HydrophobicContact CD1-CB 4.04Å; F237-V239 HydrophobicContact CE1-CB 4.1Å; F237-V239 HydrophobicContact CE1-CG2 4.2Å; F237-V239 PolarHBondContact O-N 2.92Å; F237-Y242 HydrophobicContact CD1-CD2 4.36Å; F237-Y242 HydrophobicContact CE1-CD2 4.01Å; F237-A243 HydrophobicContact CB-CB 4.03Å; F237-L246 HydrophobicContact CB-CD1 3.73Å; F237-L246 HydrophobicContact CD2-CD1 4.24Å; F237-L246 HydrophobicContact CG-CD1 4.06Å; F237-C379 HydrophobicContact CE2-CB 4.39Å; F237-C379 HydrophobicContact CZ-CB 4.07Å; F237-L381 HydrophobicContact CD2-CD2 4.33Å; F237-L381 HydrophobicContact CE2-CD1 4.25Å; F237-L381 HydrophobicContact CE2-CD2 4.1Å; F237-L381 HydrophobicContact CZ-CD1 4.36Å; F237-A391 HydrophobicContact CE1-CB 3.96Å; F237-A391 HydrophobicContact CZ-CB 3.96Å; F237-F393 AromaticContact CE1-CE1 3.85Å; F237-F393 HydrophobicContact CE1-CE1 3.85Å; F237-F393 HydrophobicContact CE1-CZ 4.34Å; F237-F393 AromaticContact CZ-CE1 3.81Å; F237-F393 HydrophobicContact CZ-CE1 3.81Å; F237-F393 HydrophobicContact CZ-CZ 4.2Å
238	G	95.7	Very high	98.3	Very high	68 Å²	68	35.2 Å²	35.2	70%	0.701	21%	0.211	S	C	*	.	S	Bend	trans	-80.9	0.5	-173	0	0	0	0	0	116.3
239	V	98.1	Very high	98.3	Very high	3 Å²	3	35 Å²	35	2%	0.018	21%	0.209	C	C	.	.	S	Bend	trans	-128.7	117.9	-177.6	174	0	0	0	0	108.1	F237 K241 Y242 A243 F393 A397 P399	F237-V239 VanDerWaalsContact C-N 3.31Å; F237-V239 HydrophobicContact CD1-CB 4.04Å; F237-V239 HydrophobicContact CE1-CB 4.1Å; F237-V239 HydrophobicContact CE1-CG2 4.2Å; F237-V239 PolarHBondContact O-N 2.92Å; V239-K241 PolarHBondContact O-N 3.5Å; V239-Y242 HydrophobicContact CB-CD2 3.8Å; V239-Y242 HydrophobicContact CB-CE2 4.32Å; V239-Y242 HydrophobicContact CG1-CD2 3.51Å; V239-Y242 HydrophobicContact CG1-CE2 3.68Å; V239-Y242 PolarHBondContact O-N 3.29Å; V239-Y242 VanDerWaalsContact O-N 3.13Å; V239-A243 PolarHBondContact O-N 3.37Å; V239-F393 HydrophobicContact CG2-CB 3.93Å; V239-F393 HydrophobicContact CG2-CD1 3.81Å; V239-F393 HydrophobicContact CG2-CD2 3.74Å; V239-F393 HydrophobicContact CG2-CE1 4.19Å; V239-F393 HydrophobicContact CG2-CE2 4.1Å; V239-F393 HydrophobicContact CG2-CG 3.58Å; V239-F393 HydrophobicContact CG2-CZ 4.31Å; V239-A397 WeakPolarHBondContact CG1-O 3.18Å; V239-A397 HydrophobicContact CG2-CB 3.97Å; V239-P399 HydrophobicContact CG1-CG 4.07Å
240	K	98.1	Very high	98.3	Very high	148 Å²	148	35.2 Å²	35.2	64%	0.643	21%	0.211	S	C	*	.	H	α-helix	trans	-53.8	-48.3	-167.3	-161.4	-161.9	-178.2	-56.2	0	113.2	Y242 A243 D244	K240-Y242 PolarHBondContact O-N 3.03Å; K240-Y242 VanDerWaalsContact O-N 3.11Å; K240-A243 PolarHBondContact O-N 3.15Å; K240-D244 IonicContact NZ-OD1 2.67Å; K240-D244 PolarHBondContact NZ-OD1 2.85Å; K240-D244 IonicContact NZ-OD2 3.52Å; K240-D244 PolarHBondContact NZ-OD2 3.17Å; K240-D244 PolarHBondContact O-N 2.93Å
241	K	98.6	Very high	98.3	Very high	68 Å²	68	43.3 Å²	43.3	30%	0.296	24%	0.241	S	C	.	.	H	α-helix	trans	-51	-40	-178.7	-166.4	-169.4	-178.1	-162.6	0	113.2	V239 P399 E401 D406	V239-K241 PolarHBondContact O-N 3.5Å; K241-P399 HydrophobicContact CB-CG 3.85Å; K241-P399 HydrophobicContact CD-CB 4.12Å; K241-P399 HydrophobicContact CD-CG 3.94Å; K241-P399 HydrophobicContact CG-CG 4.49Å; K241-E401 IonicContact NZ-OE1 2.67Å; K241-E401 PolarHBondContact NZ-OE1 2.99Å; K241-E401 IonicContact NZ-OE2 3.79Å; K241-E401 PolarHBondContact NZ-OE2 3.49Å; K241-D406 WeakPolarHBondContact CE-OD1 3.32Å; K241-D406 IonicContact NZ-OD1 3.56Å; K241-D406 PolarHBondContact NZ-OD1 3.38Å
242	Y	98.7	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-89.8	-31.3	179.7	-47.3	-61.5	0	0	0	112	F237 V239 K240 D244 A245 L246 I389 A391 E392 F393 P399 E401	F237-Y242 HydrophobicContact CD1-CD2 4.36Å; F237-Y242 HydrophobicContact CE1-CD2 4.01Å; V239-Y242 HydrophobicContact CB-CD2 3.8Å; V239-Y242 HydrophobicContact CB-CE2 4.32Å; V239-Y242 HydrophobicContact CG1-CD2 3.51Å; V239-Y242 HydrophobicContact CG1-CE2 3.68Å; V239-Y242 PolarHBondContact O-N 3.29Å; V239-Y242 VanDerWaalsContact O-N 3.13Å; K240-Y242 PolarHBondContact O-N 3.03Å; K240-Y242 VanDerWaalsContact O-N 3.11Å; Y242-D244 VanDerWaalsContact C-N 3.35Å; Y242-A245 PolarHBondContact O-N 3.15Å; Y242-L246 WeakPolarHBondContact O-CB 3.38Å; Y242-L246 WeakPolarHBondContact O-CD1 3.23Å; Y242-L246 WeakPolarHBondContact O-CG 3.43Å; Y242-L246 PolarHBondContact O-N 3.04Å; Y242-I389 HydrophobicContact CD1-CG2 4Å; Y242-A391 HydrophobicContact CD1-CB 4.08Å; Y242-A391 HydrophobicContact CD2-CB 3.45Å; Y242-A391 VanDerWaalsContact CD2-CB 3.45Å; Y242-A391 HydrophobicContact CE1-CB 4.24Å; Y242-A391 HydrophobicContact CE2-CB 3.65Å; Y242-A391 HydrophobicContact CG-CB 3.68Å; Y242-E392 PolarHBondContact OH-N 2.75Å; Y242-E392 PolarHBondContact OH-O 2.74Å; Y242-F393 HydrophobicContact CE2-CD1 4.43Å; Y242-P399 HydrophobicContact CE2-CB 4.47Å; Y242-E401 VanDerWaalsContact CE1-OE1 3.23Å; Y242-E401 WeakPolarHBondContact CE1-OE1 3.36Å; Y242-E401 VanDerWaalsContact OH-CG 3.22Å; Y242-E401 WeakPolarHBondContact OH-CG 3.31Å; Y242-E401 PolarHBondContact OH-OE1 3.11Å
243	A	98.6	Very high	98.3	Very high	15 Å²	15	51.1 Å²	51.1	12%	0.124	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-43.5	172.7	0	0	0	0	0	111.9	I236 F237 V239 K240 L246 Q247	I236-A243 HydrophobicContact CG2-CB 4.02Å; F237-A243 HydrophobicContact CB-CB 4.03Å; V239-A243 PolarHBondContact O-N 3.37Å; K240-A243 PolarHBondContact O-N 3.15Å; A243-L246 PolarHBondContact O-N 3.41Å; A243-Q247 WeakPolarHBondContact O-CB 3.38Å; A243-Q247 PolarHBondContact O-N 3.48Å
244	D	98.6	Very high	98.3	Very high	71 Å²	71	53.8 Å²	53.8	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-57.9	-51	176.8	-64.6	-27	0	0	0	110.9	K240 Y242 L246 Q247 E248	K240-D244 IonicContact NZ-OD1 2.67Å; K240-D244 PolarHBondContact NZ-OD1 2.85Å; K240-D244 IonicContact NZ-OD2 3.52Å; K240-D244 PolarHBondContact NZ-OD2 3.17Å; K240-D244 PolarHBondContact O-N 2.93Å; Y242-D244 VanDerWaalsContact C-N 3.35Å; D244-L246 VanDerWaalsContact C-N 3.35Å; D244-L246 PolarHBondContact O-N 3.03Å; D244-Q247 CarbonylContact O-C 3.46Å; D244-Q247 WeakPolarHBondContact O-CA 3.43Å; D244-Q247 WeakPolarHBondContact O-CB 3.23Å; D244-Q247 PolarHBondContact O-N 2.61Å; D244-E248 PolarHBondContact O-N 2.95Å
245	A	98.8	Very high	98.4	Very high	5 Å²	5	51.8 Å²	51.8	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-33.1	179.1	0	0	0	0	0	113.5	Y242 Q247 E248 I249 I389 S408	Y242-A245 PolarHBondContact O-N 3.15Å; A245-Q247 VanDerWaalsContact C-N 3.34Å; A245-E248 WeakPolarHBondContact O-CB 3.38Å; A245-E248 PolarHBondContact O-N 2.97Å; A245-I249 PolarHBondContact O-N 3.15Å; A245-I389 HydrophobicContact CB-CD1 4.04Å; A245-S408 WeakPolarHBondContact CB-O 3.32Å
246	L	98.8	Very high	98.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70	-32.9	171.7	-67.4	163.4	0	0	0	111.5	Y210 I236 F237 Y242 A243 D244 I249 I250 L381 T383 I389	Y210-L246 HydrophobicContact CE2-CD2 3.71Å; I236-L246 HydrophobicContact CG1-CB 4.09Å; I236-L246 HydrophobicContact CG1-CD1 4.38Å; I236-L246 HydrophobicContact CG2-CB 4.16Å; F237-L246 HydrophobicContact CB-CD1 3.73Å; F237-L246 HydrophobicContact CD2-CD1 4.24Å; F237-L246 HydrophobicContact CG-CD1 4.06Å; Y242-L246 WeakPolarHBondContact O-CB 3.38Å; Y242-L246 WeakPolarHBondContact O-CD1 3.23Å; Y242-L246 WeakPolarHBondContact O-CG 3.43Å; Y242-L246 PolarHBondContact O-N 3.04Å; A243-L246 PolarHBondContact O-N 3.41Å; D244-L246 VanDerWaalsContact C-N 3.35Å; D244-L246 PolarHBondContact O-N 3.03Å; L246-I249 PolarHBondContact O-N 3.11Å; L246-I250 WeakPolarHBondContact O-CD1 3.34Å; L246-I250 VanDerWaalsContact O-CG1 3.28Å; L246-I250 WeakPolarHBondContact O-CG1 3.43Å; L246-I250 PolarHBondContact O-N 2.98Å; L246-L381 HydrophobicContact CD1-CD1 3.96Å; L246-L381 HydrophobicContact CD1-CD2 4.36Å; L246-L381 HydrophobicContact CD2-CD1 4.39Å; L246-T383 HydrophobicContact CD2-CG2 4.42Å; L246-I389 HydrophobicContact CD2-CD1 4.42Å
247	Q	98.6	Very high	98.5	Very high	67 Å²	67	52.9 Å²	52.9	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-76.7	-22.5	176	-162.4	64.6	30	0	0	113	A243 D244 A245 R251	A243-Q247 WeakPolarHBondContact O-CB 3.38Å; A243-Q247 PolarHBondContact O-N 3.48Å; D244-Q247 CarbonylContact O-C 3.46Å; D244-Q247 WeakPolarHBondContact O-CA 3.43Å; D244-Q247 WeakPolarHBondContact O-CB 3.23Å; D244-Q247 PolarHBondContact O-N 2.61Å; A245-Q247 VanDerWaalsContact C-N 3.34Å; Q247-R251 WeakPolarHBondContact O-CG 3.45Å; Q247-R251 PolarHBondContact O-N 3.27Å; Q247-R251 PolarHBondContact O-NE 3.38Å
248	E	98.6	Very high	98.5	Very high	70 Å²	70	54.4 Å²	54.4	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-58	161	-67	175.5	161.8	0	0	109.5	D244 A245 I250 R251 E252 K409	D244-E248 PolarHBondContact O-N 2.95Å; A245-E248 WeakPolarHBondContact O-CB 3.38Å; A245-E248 PolarHBondContact O-N 2.97Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-I250 PolarHBondContact O-N 2.81Å; E248-R251 PolarHBondContact O-N 2.9Å; E248-R251 VanDerWaalsContact O-N 3.08Å; E248-E252 WeakPolarHBondContact O-CG 3.49Å; E248-E252 PolarHBondContact O-N 3.25Å; E248-K409 IonicContact OE1-NZ 3.71Å; E248-K409 IonicContact OE2-NZ 2.76Å; E248-K409 PolarHBondContact OE2-NZ 3.03Å
249	I	98.8	Very high	98.6	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-55.2	-41.3	179.6	-73.7	163.1	0	0	0	113.4	Y210 A245 L246 R253 T383 I389 E410	Y210-I249 HydrophobicContact CD1-CG2 3.76Å; Y210-I249 HydrophobicContact CE1-CG2 3.64Å; A245-I249 PolarHBondContact O-N 3.15Å; L246-I249 PolarHBondContact O-N 3.11Å; I249-R253 WeakPolarHBondContact O-CB 3.46Å; I249-R253 VanDerWaalsContact O-CG 3.31Å; I249-R253 WeakPolarHBondContact O-CG 3.45Å; I249-R253 PolarHBondContact O-N 3.39Å; I249-R253 VanDerWaalsContact O-N 3.11Å; I249-T383 HydrophobicContact CD1-CG2 3.62Å; I249-I389 HydrophobicContact CD1-CD1 3.67Å; I249-E410 HydrophobicContact CD1-CG 3.9Å
250	I	98.8	Very high	98.7	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.036	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-42.8	178.2	-77.8	160.1	0	0	0	111.6	Y210 I236 L246 E248 N254 L255 V257	Y210-I250 HydrophobicContact CE1-CG1 4.4Å; I236-I250 HydrophobicContact CB-CD1 4.31Å; I236-I250 HydrophobicContact CD1-CD1 3.82Å; I236-I250 HydrophobicContact CG1-CD1 3.7Å; L246-I250 WeakPolarHBondContact O-CD1 3.34Å; L246-I250 VanDerWaalsContact O-CG1 3.28Å; L246-I250 WeakPolarHBondContact O-CG1 3.43Å; L246-I250 PolarHBondContact O-N 2.98Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-I250 PolarHBondContact O-N 2.81Å; I250-N254 PolarHBondContact O-N 3.07Å; I250-L255 HydrophobicContact CG2-CB 4.38Å; I250-L255 WeakPolarHBondContact CG2-O 3.43Å; I250-L255 PolarHBondContact O-N 3.29Å; I250-V257 HydrophobicContact CD1-CG2 3.75Å; I250-V257 HydrophobicContact CG1-CG2 4.11Å; I250-V257 HydrophobicContact CG2-CG2 4.11Å
251	R	98.6	Very high	98.7	Very high	171 Å²	171	51.4 Å²	51.4	65%	0.645	24%	0.244	S	C	*	.	H	α-helix	trans	-71.4	-52	178.6	-70.8	178.7	-67.6	155.9	1.3	111.4	Q247 E248 R253 N254	Q247-R251 WeakPolarHBondContact O-CG 3.45Å; Q247-R251 PolarHBondContact O-N 3.27Å; Q247-R251 PolarHBondContact O-NE 3.38Å; E248-R251 PolarHBondContact O-N 2.9Å; E248-R251 VanDerWaalsContact O-N 3.08Å; R251-R253 PolarHBondContact O-N 2.93Å; R251-N254 PolarHBondContact O-N 3.12Å; R251-N254 VanDerWaalsContact O-N 3.14Å
252	E	98.5	Very high	98.7	Very high	142 Å²	142	48.9 Å²	48.9	66%	0.664	23%	0.234	S	C	*	.	H	α-helix	trans	-55.6	-36	-178.9	-72.8	176.9	179.9	0	0	113.2	E248	E248-E252 WeakPolarHBondContact O-CG 3.49Å; E248-E252 PolarHBondContact O-N 3.25Å
253	R	98.6	Very high	98.7	Very high	29 Å²	29	49.2 Å²	49.2	11%	0.109	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	9.9	-174.5	-53.1	-176.9	-167.5	-174.9	10.1	113.1	E213 R222 I249 R251 L255 T383 E410	E213-R253 HydrophobicContact CG-CB 4.2Å; E213-R253 WeakPolarHBondContact OE2-CD 3.3Å; E213-R253 IonicContact OE2-NH1 2.66Å; R222-R253 PolarHBondContact NH2-O 2.91Å; I249-R253 WeakPolarHBondContact O-CB 3.46Å; I249-R253 VanDerWaalsContact O-CG 3.31Å; I249-R253 WeakPolarHBondContact O-CG 3.45Å; I249-R253 PolarHBondContact O-N 3.39Å; I249-R253 VanDerWaalsContact O-N 3.11Å; R251-R253 PolarHBondContact O-N 2.93Å; R253-L255 HydrophobicContact CB-CD1 4.29Å; R253-L255 HydrophobicContact CB-CD2 4.36Å; R253-L255 HydrophobicContact CB-CG 4.08Å; R253-L255 WeakPolarHBondContact O-CD2 3.49Å; R253-T383 PolarHBondContact NH1-O 3.2Å; R253-E410 IonicContact CZ-OE2 2.62Å; R253-E410 IonicContact NH2-OE1 2.71Å; R253-E410 PolarHBondContact NH2-OE1 3.25Å; R253-E410 IonicContact NH2-OE2 2.68Å; R253-E410 PolarHBondContact NH2-OE2 2.84Å
254	N	98.6	Very high	98.7	Very high	130 Å²	130	51 Å²	51	70%	0.695	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	63.5	178.6	-166	21.1	0	0	0	113	R222 I250 R251	R222-N254 PolarHBondContact NH2-O 3.26Å; I250-N254 PolarHBondContact O-N 3.07Å; R251-N254 PolarHBondContact O-N 3.12Å; R251-N254 VanDerWaalsContact O-N 3.14Å
255	L	98.9	Very high	98.8	Very high	11 Å²	11	49 Å²	49	6%	0.058	23%	0.231	C	C	.	.			trans	-108	133.5	-177.9	-51.9	-178.3	0	0	0	110.7	M209 Y210 E213 I227 I250 R253	M209-L255 HydrophobicContact CE-CD1 3.92Å; M209-L255 HydrophobicContact SD-CD1 4.26Å; Y210-L255 HydrophobicContact CD1-CD1 3.96Å; Y210-L255 HydrophobicContact CE1-CD1 3.98Å; E213-L255 HydrophobicContact CB-CD2 4.43Å; E213-L255 HydrophobicContact CG-CD2 3.72Å; I227-L255 HydrophobicContact CB-CD2 3.81Å; I227-L255 HydrophobicContact CD1-CD2 3.87Å; I227-L255 HydrophobicContact CG1-CD2 4.41Å; I227-L255 HydrophobicContact CG2-CD2 3.86Å; I250-L255 HydrophobicContact CG2-CB 4.38Å; I250-L255 WeakPolarHBondContact CG2-O 3.43Å; I250-L255 PolarHBondContact O-N 3.29Å; R253-L255 HydrophobicContact CB-CD1 4.29Å; R253-L255 HydrophobicContact CB-CD2 4.36Å; R253-L255 HydrophobicContact CB-CG 4.08Å; R253-L255 WeakPolarHBondContact O-CD2 3.49Å
256	T	98.9	Very high	98.8	Very high	55 Å²	55	49 Å²	49	34%	0.337	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.8	174.5	-56.1	0	0	0	0	109.5	I227 I228 F229	I227-T256 PolarHBondContact O-N 2.89Å; I228-T256 CarbonylContact C-O 3.53Å; I228-T256 WeakPolarHBondContact CA-O 3.42Å; F229-T256 PolarHBondContact N-O 2.83Å
257	V	98.9	Very high	98.8	Very high	24 Å²	24	52.5 Å²	52.5	15%	0.145	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.4	169.8	-177.8	0	0	0	0	108.5	F229 T231 I250 Y259	F229-V257 HydrophobicContact CB-CG1 4.48Å; F229-V257 HydrophobicContact CB-CG2 4.24Å; F229-V257 HydrophobicContact CD1-CG1 3.95Å; F229-V257 HydrophobicContact CD1-CG2 4.48Å; F229-V257 WeakPolarHBondContact O-CA 3.36Å; T231-V257 HydrophobicContact CG2-CG1 4Å; I250-V257 HydrophobicContact CD1-CG2 3.75Å; I250-V257 HydrophobicContact CG1-CG2 4.11Å; I250-V257 HydrophobicContact CG2-CG2 4.11Å; V257-Y259 HydrophobicContact CG1-CD1 4.09Å; V257-Y259 HydrophobicContact CG1-CE1 3.6Å; V257-Y259 HydrophobicContact CG1-CE2 4.14Å
258	N	98.9	Very high	98.8	Very high	53 Å²	53	49.6 Å²	49.6	28%	0.283	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106	174.1	-56.1	-44.6	0	0	0	108	I228 F229 N230 T231 Q261	I228-N258 WeakPolarHBondContact CG2-ND2 3.17Å; F229-N258 PolarHBondContact O-N 2.88Å; N230-N258 WeakPolarHBondContact OD1-CB 3.28Å; N230-N258 PolarHBondContact OD1-ND2 3.03Å; T231-N258 PolarHBondContact N-O 2.87Å; N258-Q261 HydrophobicContact CB-CB 4.38Å; N258-Q261 HydrophobicContact CB-CG 3.79Å
259	Y	98.8	Very high	98.8	Very high	75 Å²	75	50.5 Å²	50.5	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	158	172.1	-62.6	-64.3	0	0	0	111	T231 L233 I236 V257 Q261	T231-Y259 HydrophobicContact CG2-CD1 3.63Å; T231-Y259 HydrophobicContact CG2-CE1 4.05Å; T231-Y259 CarbonylContact O-C 3.45Å; L233-Y259 WeakPolarHBondContact O-CB 3.46Å; L233-Y259 WeakPolarHBondContact O-CD1 3.49Å; I236-Y259 PolarHBondContact N-OH 2.85Å; V257-Y259 HydrophobicContact CG1-CD1 4.09Å; V257-Y259 HydrophobicContact CG1-CE1 3.6Å; V257-Y259 HydrophobicContact CG1-CE2 4.14Å; Y259-Q261 PolarHBondContact O-N 3.04Å
260	K	98.8	Very high	98.8	Very high	66 Å²	66	56.4 Å²	56.4	29%	0.287	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	32.4	178.8	-58.5	-62.3	-154	83.1	0	114.3	T231 S232 L233 L278 D279	T231-K260 WeakPolarHBondContact O-CA 3.11Å; T231-K260 PolarHBondContact O-N 2.83Å; S232-K260 WeakPolarHBondContact O-CD 3.37Å; L233-K260 PolarHBondContact O-N 3.31Å; L233-K260 VanDerWaalsContact O-N 3.16Å; K260-L278 HydrophobicContact CB-CB 4.17Å; K260-L278 HydrophobicContact CD-CB 4.47Å; K260-L278 PolarHBondContact O-N 3.35Å; K260-D279 WeakPolarHBondContact CG-OD1 2.92Å; K260-D279 WeakPolarHBondContact CG-OD2 3.42Å; K260-D279 IonicContact NZ-OD1 2.88Å; K260-D279 PolarHBondContact NZ-OD1 2.97Å
261	Q	98.9	Very high	98.8	Very high	15 Å²	15	58.8 Å²	58.8	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111.3	176.2	-71.5	-67.3	-51.9	0	0	110.6	N230 T231 S232 N258 Y259 E276	N230-Q261 CarbonylContact C-O 3.57Å; N230-Q261 HydrophobicContact CB-CB 3.88Å; T231-Q261 CarbonylContact C-O 3.55Å; T231-Q261 PolarHBondContact N-O 2.92Å; T231-Q261 PolarHBondContact O-N 2.87Å; S232-Q261 PolarHBondContact N-O 3.02Å; N258-Q261 HydrophobicContact CB-CB 4.38Å; N258-Q261 HydrophobicContact CB-CG 3.79Å; Y259-Q261 PolarHBondContact O-N 3.04Å; Q261-E276 WeakPolarHBondContact CA-O 3.4Å
262	N	98.9	Very high	98.8	Very high	16 Å²	16	53.1 Å²	53.1	9%	0.086	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.2	178.2	-177.3	42.3	0	0	0	111.3	P195 N196 S232 F275 E276 L278	P195-N262 WeakPolarHBondContact CA-OD1 3.43Å; N196-N262 HydrophobicContact CB-CB 4.36Å; N196-N262 PolarHBondContact N-OD1 3.27Å; S232-N262 WeakPolarHBondContact OG-CA 3.48Å; S232-N262 VanDerWaalsContact OG-CB 3.23Å; S232-N262 WeakPolarHBondContact OG-CB 3.09Å; S232-N262 PolarHBondContact OG-OD1 2.95Å; N262-F275 CarbonylContact O-C 3.56Å; N262-F275 WeakPolarHBondContact O-CA 3.47Å; N262-F275 WeakPolarHBondContact O-CB 3.46Å; N262-E276 HydrophobicContact CB-CG 3.78Å; N262-E276 WeakPolarHBondContact CB-OE1 3.34Å; N262-E276 PolarHBondContact N-O 3.02Å; N262-E276 VanDerWaalsContact N-O 3.15Å; N262-E276 PolarHBondContact ND2-OE1 3.27Å; N262-E276 PolarHBondContact O-N 2.67Å; N262-L278 HydrophobicContact CB-CD1 4.17Å; N262-L278 HydrophobicContact CB-CD2 4.1Å; N262-L278 HydrophobicContact CB-CG 4.22Å
263	L	98.9	Very high	98.8	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126	176.4	177.7	69.3	0	0	0	109.8	I154 T193 V266 A273 F275 V294	I154-L263 HydrophobicContact CD1-CD2 3.83Å; I154-L263 HydrophobicContact CD1-CG 4.3Å; I154-L263 HydrophobicContact CG2-CD2 4.17Å; I154-L263 HydrophobicContact CG2-CG 4.09Å; T193-L263 HydrophobicContact CG2-CB 4.17Å; T193-L263 HydrophobicContact CG2-CD2 4Å; L263-V266 HydrophobicContact CD1-CG2 4.01Å; L263-V266 HydrophobicContact CD2-CG2 3.95Å; L263-V266 HydrophobicContact CG-CG2 4.33Å; L263-A273 HydrophobicContact CD1-CB 3.9Å; L263-F275 HydrophobicContact CB-CD1 4.08Å; L263-F275 HydrophobicContact CB-CE1 3.78Å; L263-F275 HydrophobicContact CD1-CD1 4.33Å; L263-F275 HydrophobicContact CD1-CE1 3.87Å; L263-F275 HydrophobicContact CD1-CE2 4.27Å; L263-F275 HydrophobicContact CD1-CZ 3.82Å; L263-F275 HydrophobicContact CG-CE1 4.4Å; L263-V294 HydrophobicContact CD2-CB 4.48Å; L263-V294 HydrophobicContact CD2-CG1 3.97Å; L263-V294 HydrophobicContact CD2-CG2 3.92Å
264	I	98.9	Very high	98.8	Very high	52 Å²	52	45.3 Å²	45.3	27%	0.267	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-28.9	-177.3	56.8	163.2	0	0	0	114.5	K155 V274 E276 T284	K155-I264 PolarHBondContact N-O 2.99Å; I264-V274 HydrophobicContact CD1-CG1 4.25Å; I264-V274 HydrophobicContact CG1-CB 4.3Å; I264-V274 HydrophobicContact CG1-CG1 4.24Å; I264-V274 WeakPolarHBondContact CG1-O 3.38Å; I264-V274 PolarHBondContact N-O 3.23Å; I264-E276 HydrophobicContact CD1-CB 4.25Å; I264-E276 HydrophobicContact CG2-CB 4.2Å; I264-E276 VanDerWaalsContact CG2-CD 3.5Å; I264-E276 HydrophobicContact CG2-CG 3.75Å; I264-E276 WeakPolarHBondContact CG2-OE1 3.43Å; I264-T284 HydrophobicContact CD1-CG2 4.04Å
265	E	98.9	Very high	98.8	Very high	30 Å²	30	39.1 Å²	39.1	14%	0.14	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.7	179.3	173.7	-180	152	0	0	111	K155 R267 V274	K155-E265 HydrophobicContact CB-CB 4.03Å; K155-E265 HydrophobicContact CB-CG 4.11Å; K155-E265 HydrophobicContact CD-CB 4.45Å; K155-E265 HydrophobicContact CD-CG 4.02Å; K155-E265 WeakPolarHBondContact CD-OE2 3.28Å; K155-E265 VanDerWaalsContact CE-OE2 3.27Å; K155-E265 WeakPolarHBondContact CE-OE2 3.18Å; K155-E265 HydrophobicContact CG-CB 4.49Å; K155-E265 HydrophobicContact CG-CG 4.05Å; K155-E265 VanDerWaalsContact NZ-CD 3.26Å; K155-E265 IonicContact NZ-OE1 3.61Å; K155-E265 PolarHBondContact NZ-OE1 3.04Å; K155-E265 IonicContact NZ-OE2 2.62Å; K155-E265 PolarHBondContact NZ-OE2 2.9Å; K155-E265 CarbonylContact O-C 3.6Å; K155-E265 WeakPolarHBondContact O-CA 3.29Å; E265-R267 HydrophobicContact CG-CG 4.42Å; E265-R267 IonicContact OE1-CZ 2.64Å; E265-R267 IonicContact OE1-NE 2.75Å; E265-R267 PolarHBondContact OE1-NE 3.41Å; E265-R267 IonicContact OE1-NH2 3.75Å; E265-R267 PolarHBondContact OE1-NH2 3.14Å; E265-R267 VanDerWaalsContact OE1-NH2 3.1Å; E265-V274 HydrophobicContact CB-CB 3.93Å; E265-V274 HydrophobicContact CB-CG2 3.84Å; E265-V274 HydrophobicContact CG-CG2 4.03Å; E265-V274 PolarHBondContact N-O 2.79Å; E265-V274 PolarHBondContact O-N 3.16Å
266	V	98.9	Very high	98.8	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.1	173.8	173.8	0	0	0	0	109.3	I154 K155 L157 I166 L263 A268 Y289 L292	I154-V266 HydrophobicContact CG2-CG2 3.89Å; K155-V266 PolarHBondContact O-N 2.9Å; L157-V266 HydrophobicContact CD1-CG2 4.19Å; L157-V266 HydrophobicContact CD2-CB 4.28Å; L157-V266 HydrophobicContact CD2-CG1 4.29Å; L157-V266 HydrophobicContact CG-CB 4.27Å; L157-V266 HydrophobicContact CG-CG2 4.3Å; I166-V266 HydrophobicContact CD1-CG1 3.73Å; L263-V266 HydrophobicContact CD1-CG2 4.01Å; L263-V266 HydrophobicContact CD2-CG2 3.95Å; L263-V266 HydrophobicContact CG-CG2 4.33Å; V266-A268 HydrophobicContact CG1-CB 4.07Å; V266-Y289 HydrophobicContact CG1-CE1 4.49Å; V266-L292 HydrophobicContact CG1-CD2 4.21Å; V266-L292 HydrophobicContact CG2-CD2 3.87Å
267	R	98.9	Very high	98.8	Very high	74 Å²	74	40 Å²	40	28%	0.279	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	80.7	173.7	-59	159.1	-175.4	163.5	9	107.7	E265 D269 K270 Q271 E272	E265-R267 HydrophobicContact CG-CG 4.42Å; E265-R267 IonicContact OE1-CZ 2.64Å; E265-R267 IonicContact OE1-NE 2.75Å; E265-R267 PolarHBondContact OE1-NE 3.41Å; E265-R267 IonicContact OE1-NH2 3.75Å; E265-R267 PolarHBondContact OE1-NH2 3.14Å; E265-R267 VanDerWaalsContact OE1-NH2 3.1Å; R267-D269 PolarHBondContact O-N 3.04Å; R267-K270 HydrophobicContact CB-CB 4.29Å; R267-K270 CarbonylContact O-C 3.58Å; R267-K270 PolarHBondContact O-N 3.48Å; R267-Q271 WeakPolarHBondContact O-CA 3.32Å; R267-Q271 PolarHBondContact O-N 3.11Å; R267-E272 HydrophobicContact CB-CB 4.19Å; R267-E272 WeakPolarHBondContact CD-OE2 3.11Å; R267-E272 IonicContact CZ-OE2 2.61Å; R267-E272 PolarHBondContact N-O 3.45Å; R267-E272 IonicContact NE-OE2 3.91Å; R267-E272 IonicContact NH1-OE2 3Å; R267-E272 PolarHBondContact NH1-OE2 3.46Å; R267-E272 PolarHBondContact O-N 2.98Å; R267-E272 VanDerWaalsContact O-N 3.1Å
268	A	98.8	Very high	98.8	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.4	-167.6	0	0	0	0	0	113.9	G160 H163 V266	G160-A268 VanDerWaalsContact CA-CB 3.5Å; G160-A268 WeakPolarHBondContact O-CB 3.38Å; H163-A268 HydrophobicContact CB-CB 3.82Å; V266-A268 HydrophobicContact CG1-CB 4.07Å
269	D	98.3	Very high	98.8	Very high	89 Å²	89	43.1 Å²	43.1	48%	0.476	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-53.2	167.1	60.6	-36.8	0	0	0	111.1	R267 Q271	R267-D269 PolarHBondContact O-N 3.04Å; D269-Q271 VanDerWaalsContact C-N 3.3Å; D269-Q271 PolarHBondContact O-N 3.17Å; D269-Q271 PolarHBondContact O-NE2 3.21Å
270	K	98.7	Very high	98.7	Very high	129 Å²	129	44.7 Å²	44.7	56%	0.561	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.6	-179.8	-64.8	170.6	-169.3	-178.1	0	113.4	R267 E272	R267-K270 HydrophobicContact CB-CB 4.29Å; R267-K270 CarbonylContact O-C 3.58Å; R267-K270 PolarHBondContact O-N 3.48Å; K270-E272 VanDerWaalsContact C-N 3.32Å; K270-E272 HydrophobicContact CB-CG 3.91Å
271	Q	98.8	Very high	98.6	Very high	57 Å²	57	47.6 Å²	47.6	27%	0.266	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	43.4	-171.6	-54.2	125.2	77.4	0	0	111.7	K165 R267 D269 S288 Y289	K165-Q271 HydrophobicContact CD-CG 4.1Å; R267-Q271 WeakPolarHBondContact O-CA 3.32Å; R267-Q271 PolarHBondContact O-N 3.11Å; D269-Q271 VanDerWaalsContact C-N 3.3Å; D269-Q271 PolarHBondContact O-N 3.17Å; D269-Q271 PolarHBondContact O-NE2 3.21Å; Q271-S288 CarbonylContact O-C 3.6Å; Q271-S288 VanDerWaalsContact O-CA 3.3Å; Q271-S288 WeakPolarHBondContact O-CA 3.5Å; Q271-Y289 VanDerWaalsContact C-CE1 3.42Å; Q271-Y289 HydrophobicContact CB-CD2 4.27Å; Q271-Y289 HydrophobicContact CB-CE1 4.5Å; Q271-Y289 HydrophobicContact CB-CE2 4.04Å; Q271-Y289 HydrophobicContact CG-CE2 4.44Å; Q271-Y289 VanDerWaalsContact O-CD1 3.23Å; Q271-Y289 WeakPolarHBondContact O-CD1 3.17Å; Q271-Y289 PolarHBondContact O-N 2.76Å
272	E	98.9	Very high	98.4	Very high	52 Å²	52	50.5 Å²	50.5	24%	0.243	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.7	173.7	-60.3	172.1	176.4	0	0	110.9	R267 K270 V286	R267-E272 HydrophobicContact CB-CB 4.19Å; R267-E272 WeakPolarHBondContact CD-OE2 3.11Å; R267-E272 IonicContact CZ-OE2 2.61Å; R267-E272 PolarHBondContact N-O 3.45Å; R267-E272 IonicContact NE-OE2 3.91Å; R267-E272 IonicContact NH1-OE2 3Å; R267-E272 PolarHBondContact NH1-OE2 3.46Å; R267-E272 PolarHBondContact O-N 2.98Å; R267-E272 VanDerWaalsContact O-N 3.1Å; K270-E272 VanDerWaalsContact C-N 3.32Å; K270-E272 HydrophobicContact CB-CG 3.91Å; E272-V286 HydrophobicContact CB-CG1 3.84Å; E272-V286 HydrophobicContact CG-CG1 4.06Å
273	A	98.9	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.1	170.2	0	0	0	0	0	109.8	L263 F275 I287 Y289 L292	L263-A273 HydrophobicContact CD1-CB 3.9Å; A273-F275 HydrophobicContact CB-CD2 4.46Å; A273-F275 HydrophobicContact CB-CE2 3.6Å; A273-F275 HydrophobicContact CB-CZ 4.07Å; A273-I287 PolarHBondContact N-O 3.3Å; A273-I287 PolarHBondContact O-N 3.15Å; A273-Y289 HydrophobicContact CB-CD1 4Å; A273-Y289 HydrophobicContact CB-CE1 4.24Å; A273-L292 HydrophobicContact CB-CD2 4.17Å
274	V	98.9	Very high	98.4	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.1	-179.6	-165.8	0	0	0	0	109.7	I264 E265 Q285 V286	I264-V274 HydrophobicContact CD1-CG1 4.25Å; I264-V274 HydrophobicContact CG1-CB 4.3Å; I264-V274 HydrophobicContact CG1-CG1 4.24Å; I264-V274 WeakPolarHBondContact CG1-O 3.38Å; I264-V274 PolarHBondContact N-O 3.23Å; E265-V274 HydrophobicContact CB-CB 3.93Å; E265-V274 HydrophobicContact CB-CG2 3.84Å; E265-V274 HydrophobicContact CG-CG2 4.03Å; E265-V274 PolarHBondContact N-O 2.79Å; E265-V274 PolarHBondContact O-N 3.16Å; V274-Q285 WeakPolarHBondContact CA-O 3.48Å; V274-V286 HydrophobicContact CG1-CG2 4.29Å; V274-V286 HydrophobicContact CG2-CG2 4.22Å
275	F	98.9	Very high	98.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.8	179.3	-61.9	-93.5	0	0	0	111.2	I191 T193 N230 N262 L263 A273 T284 Q285 I287	I191-F275 HydrophobicContact CG2-CE2 4.34Å; I191-F275 HydrophobicContact CG2-CZ 3.78Å; T193-F275 HydrophobicContact CG2-CE1 3.68Å; T193-F275 HydrophobicContact CG2-CZ 3.87Å; N230-F275 HydrophobicContact CB-CD1 3.64Å; N230-F275 HydrophobicContact CB-CE1 3.38Å; N230-F275 HydrophobicContact CB-CG 4.45Å; N230-F275 HydrophobicContact CB-CZ 4.01Å; N230-F275 VanDerWaalsContact ND2-CD1 3.29Å; N230-F275 WeakPolarHBondContact ND2-CD1 3.44Å; N230-F275 VanDerWaalsContact ND2-CD2 3.26Å; N230-F275 WeakPolarHBondContact ND2-CD2 3.24Å; N230-F275 VanDerWaalsContact ND2-CE1 3.3Å; N230-F275 WeakPolarHBondContact ND2-CE1 3.43Å; N230-F275 VanDerWaalsContact ND2-CE2 3.26Å; N230-F275 WeakPolarHBondContact ND2-CE2 3.32Å; N230-F275 VanDerWaalsContact ND2-CG 3.28Å; N230-F275 WeakPolarHBondContact ND2-CG 3.31Å; N230-F275 VanDerWaalsContact ND2-CZ 3.3Å; N230-F275 WeakPolarHBondContact ND2-CZ 3.33Å; N262-F275 CarbonylContact O-C 3.56Å; N262-F275 WeakPolarHBondContact O-CA 3.47Å; N262-F275 WeakPolarHBondContact O-CB 3.46Å; L263-F275 HydrophobicContact CB-CD1 4.08Å; L263-F275 HydrophobicContact CB-CE1 3.78Å; L263-F275 HydrophobicContact CD1-CD1 4.33Å; L263-F275 HydrophobicContact CD1-CE1 3.87Å; L263-F275 HydrophobicContact CD1-CE2 4.27Å; L263-F275 HydrophobicContact CD1-CZ 3.82Å; L263-F275 HydrophobicContact CG-CE1 4.4Å; A273-F275 HydrophobicContact CB-CD2 4.46Å; A273-F275 HydrophobicContact CB-CE2 3.6Å; A273-F275 HydrophobicContact CB-CZ 4.07Å; F275-T284 CarbonylContact O-C 3.59Å; F275-T284 WeakPolarHBondContact O-CA 3.44Å; F275-T284 WeakPolarHBondContact O-CB 3.25Å; F275-Q285 HydrophobicContact CB-CG 3.97Å; F275-Q285 PolarHBondContact N-O 2.84Å; F275-Q285 PolarHBondContact O-N 3.5Å; F275-I287 HydrophobicContact CD2-CD1 4.22Å; F275-I287 HydrophobicContact CD2-CG1 4.46Å; F275-I287 HydrophobicContact CE2-CD1 4.37Å
276	E	98.8	Very high	98.4	Very high	62 Å²	62	60.7 Å²	60.7	29%	0.29	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	146.7	167.7	65.4	-177.1	160.4	0	0	111	Q261 N262 I264 L278 T284	Q261-E276 WeakPolarHBondContact CA-O 3.4Å; N262-E276 HydrophobicContact CB-CG 3.78Å; N262-E276 WeakPolarHBondContact CB-OE1 3.34Å; N262-E276 PolarHBondContact N-O 3.02Å; N262-E276 VanDerWaalsContact N-O 3.15Å; N262-E276 PolarHBondContact ND2-OE1 3.27Å; N262-E276 PolarHBondContact O-N 2.67Å; I264-E276 HydrophobicContact CD1-CB 4.25Å; I264-E276 HydrophobicContact CG2-CB 4.2Å; I264-E276 VanDerWaalsContact CG2-CD 3.5Å; I264-E276 HydrophobicContact CG2-CG 3.75Å; I264-E276 WeakPolarHBondContact CG2-OE1 3.43Å; E276-L278 HydrophobicContact CG-CD2 3.92Å; E276-T284 HydrophobicContact CB-CG2 4.35Å
277	N	98.6	Very high	98.4	Very high	22 Å²	22	61.5 Å²	61.5	12%	0.118	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	108.5	171.3	-169	-17.1	0	0	0	110.5	D279 K280 E283	N277-D279 PolarHBondContact O-N 2.97Å; N277-D279 PolarHBondContact OD1-N 3.29Å; N277-D279 VanDerWaalsContact OD1-N 3.12Å; N277-K280 HydrophobicContact CB-CB 4.22Å; N277-K280 CarbonylContact O-C 3.32Å; N277-K280 PolarHBondContact O-N 3.42Å; N277-K280 VanDerWaalsContact O-O 3.08Å; N277-E283 HydrophobicContact CB-CB 4.07Å; N277-E283 HydrophobicContact CB-CG 4.32Å; N277-E283 PolarHBondContact N-O 3.28Å; N277-E283 PolarHBondContact ND2-OE1 2.99Å
278	L	98.3	Very high	98.4	Very high	42 Å²	42	61.6 Å²	61.6	22%	0.22	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.9	-177.6	-59.5	179.5	0	0	0	113.6	N196 K260 N262 E276	N196-L278 HydrophobicContact CB-CD1 4.21Å; K260-L278 HydrophobicContact CB-CB 4.17Å; K260-L278 HydrophobicContact CD-CB 4.47Å; K260-L278 PolarHBondContact O-N 3.35Å; N262-L278 HydrophobicContact CB-CD1 4.17Å; N262-L278 HydrophobicContact CB-CD2 4.1Å; N262-L278 HydrophobicContact CB-CG 4.22Å; E276-L278 HydrophobicContact CG-CD2 3.92Å
279	D	98.1	Very high	98.4	Very high	102 Å²	102	61.8 Å²	61.8	55%	0.545	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.1	172.7	-72	-9.4	0	0	0	112.5	K260 N277	K260-D279 WeakPolarHBondContact CG-OD1 2.92Å; K260-D279 WeakPolarHBondContact CG-OD2 3.42Å; K260-D279 IonicContact NZ-OD1 2.88Å; K260-D279 PolarHBondContact NZ-OD1 2.97Å; N277-D279 PolarHBondContact O-N 2.97Å; N277-D279 PolarHBondContact OD1-N 3.29Å; N277-D279 VanDerWaalsContact OD1-N 3.12Å
280	K	98	Very high	98.4	Very high	107 Å²	107	58.6 Å²	58.6	47%	0.465	33%	0.326	S	S	.	.	S	Bend	trans	-141	78.5	177.2	-61.7	-179.4	-166.4	161.2	0	110.8	N277 G282 E283	N277-K280 HydrophobicContact CB-CB 4.22Å; N277-K280 CarbonylContact O-C 3.32Å; N277-K280 PolarHBondContact O-N 3.42Å; N277-K280 VanDerWaalsContact O-O 3.08Å; K280-G282 PolarHBondContact O-N 3.4Å; K280-E283 HydrophobicContact CB-CB 3.98Å; K280-E283 HydrophobicContact CD-CB 4.42Å; K280-E283 VanDerWaalsContact CD-CD 3.44Å; K280-E283 WeakPolarHBondContact CD-OE1 3.42Å; K280-E283 WeakPolarHBondContact CD-OE2 3.4Å; K280-E283 IonicContact NZ-OE1 3.54Å; K280-E283 PolarHBondContact NZ-OE1 3.23Å; K280-E283 IonicContact NZ-OE2 3.96Å; K280-E283 PolarHBondContact NZ-OE2 3.14Å; K280-E283 WeakPolarHBondContact O-CB 3.46Å; K280-E283 PolarHBondContact O-N 2.65Å
281	P	95.9	Very high	98.4	Very high	127 Å²	127	52.4 Å²	52.4	83%	0.825	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	127.3	-177.7	-28.7	36.3	0	0	0	112.9
282	G	96.1	Very high	98.4	Very high	76 Å²	76	49.8 Å²	49.8	78%	0.784	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-19.6	-175.8	0	0	0	0	0	115.2	K280 T284	K280-G282 PolarHBondContact O-N 3.4Å; G282-T284 PolarHBondContact O-N 2.99Å
283	E	98.4	Very high	98.4	Very high	90 Å²	90	47.3 Å²	47.3	42%	0.421	28%	0.276	S	S	.	.			trans	-74	123	169.2	-176.4	177.6	99.3	0	0	109.6	N277 K280	N277-E283 HydrophobicContact CB-CB 4.07Å; N277-E283 HydrophobicContact CB-CG 4.32Å; N277-E283 PolarHBondContact N-O 3.28Å; N277-E283 PolarHBondContact ND2-OE1 2.99Å; K280-E283 HydrophobicContact CB-CB 3.98Å; K280-E283 HydrophobicContact CD-CB 4.42Å; K280-E283 VanDerWaalsContact CD-CD 3.44Å; K280-E283 WeakPolarHBondContact CD-OE1 3.42Å; K280-E283 WeakPolarHBondContact CD-OE2 3.4Å; K280-E283 IonicContact NZ-OE1 3.54Å; K280-E283 PolarHBondContact NZ-OE1 3.23Å; K280-E283 IonicContact NZ-OE2 3.96Å; K280-E283 PolarHBondContact NZ-OE2 3.14Å; K280-E283 WeakPolarHBondContact O-CB 3.46Å; K280-E283 PolarHBondContact O-N 2.65Å
284	T	98.6	Very high	98.4	Very high	81 Å²	81	47.3 Å²	47.3	50%	0.497	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.2	176	60.5	0	0	0	0	111.1	I264 F275 E276 G282	I264-T284 HydrophobicContact CD1-CG2 4.04Å; F275-T284 CarbonylContact O-C 3.59Å; F275-T284 WeakPolarHBondContact O-CA 3.44Å; F275-T284 WeakPolarHBondContact O-CB 3.25Å; E276-T284 HydrophobicContact CB-CG2 4.35Å; G282-T284 PolarHBondContact O-N 2.99Å
285	Q	98.6	Very high	98.4	Very high	71 Å²	71	47 Å²	47	33%	0.332	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.5	173.6	59.9	173.3	-14.7	0	0	111	V274 F275 I287	V274-Q285 WeakPolarHBondContact CA-O 3.48Å; F275-Q285 HydrophobicContact CB-CG 3.97Å; F275-Q285 PolarHBondContact N-O 2.84Å; F275-Q285 PolarHBondContact O-N 3.5Å; Q285-I287 HydrophobicContact CG-CD1 4.37Å; Q285-I287 HydrophobicContact CG-CG1 4.36Å
286	V	98.9	Very high	98.4	Very high	76 Å²	76	47 Å²	47	46%	0.461	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.4	172.3	-173.7	0	0	0	0	107.9	E272 V274	E272-V286 HydrophobicContact CB-CG1 3.84Å; E272-V286 HydrophobicContact CG-CG1 4.06Å; V274-V286 HydrophobicContact CG1-CG2 4.29Å; V274-V286 HydrophobicContact CG2-CG2 4.22Å
287	I	98.8	Very high	98.5	Very high	23 Å²	23	44.6 Å²	44.6	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.4	179.3	-49.5	179	0	0	0	109	I191 A273 F275 Q285	I191-I287 HydrophobicContact CD1-CB 4.04Å; I191-I287 HydrophobicContact CD1-CG2 3.62Å; A273-I287 PolarHBondContact N-O 3.3Å; A273-I287 PolarHBondContact O-N 3.15Å; F275-I287 HydrophobicContact CD2-CD1 4.22Å; F275-I287 HydrophobicContact CD2-CG1 4.46Å; F275-I287 HydrophobicContact CE2-CD1 4.37Å; Q285-I287 HydrophobicContact CG-CD1 4.37Å; Q285-I287 HydrophobicContact CG-CG1 4.36Å
288	S	98.8	Very high	98.5	Very high	76 Å²	76	43.9 Å²	43.9	53%	0.531	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	146	171.3	55.8	0	0	0	0	111.5	N189 Q271	N189-S288 WeakPolarHBondContact CB-O 3.4Å; N189-S288 PolarHBondContact ND2-O 2.77Å; Q271-S288 CarbonylContact O-C 3.6Å; Q271-S288 VanDerWaalsContact O-CA 3.3Å; Q271-S288 WeakPolarHBondContact O-CA 3.5Å
289	Y	98.9	Very high	98.5	Very high	8 Å²	8	42.2 Å²	42.2	3%	0.031	25%	0.253	C	S	.	.			trans	-130.3	143.4	-177.4	65	-101.6	0	0	0	113.8	K165 I166 V266 Q271 A273 L292	K165-Y289 HydrophobicContact CB-CD2 4.32Å; K165-Y289 HydrophobicContact CB-CE2 4.06Å; I166-Y289 HydrophobicContact CB-CE2 4.46Å; V266-Y289 HydrophobicContact CG1-CE1 4.49Å; Q271-Y289 VanDerWaalsContact C-CE1 3.42Å; Q271-Y289 HydrophobicContact CB-CD2 4.27Å; Q271-Y289 HydrophobicContact CB-CE1 4.5Å; Q271-Y289 HydrophobicContact CB-CE2 4.04Å; Q271-Y289 HydrophobicContact CG-CE2 4.44Å; Q271-Y289 VanDerWaalsContact O-CD1 3.23Å; Q271-Y289 WeakPolarHBondContact O-CD1 3.17Å; Q271-Y289 PolarHBondContact O-N 2.76Å; A273-Y289 HydrophobicContact CB-CD1 4Å; A273-Y289 HydrophobicContact CB-CE1 4.24Å; Y289-L292 HydrophobicContact CD1-CB 3.97Å; Y289-L292 HydrophobicContact CD1-CD2 4.06Å; Y289-L292 HydrophobicContact CD2-CB 3.6Å; Y289-L292 HydrophobicContact CE1-CB 4.05Å; Y289-L292 HydrophobicContact CE1-CD2 3.64Å; Y289-L292 HydrophobicContact CE1-CG 4.45Å; Y289-L292 HydrophobicContact CE2-CB 3.7Å; Y289-L292 HydrophobicContact CG-CB 3.75Å
290	E	98.9	Very high	98.5	Very high	22 Å²	22	37.7 Å²	37.7	10%	0.103	23%	0.229	C	C	.	.	S	Bend	trans	-94.5	-24.4	166.1	179.7	69.4	176	0	0	110.9	K165 F185 K186 E187 N189	K165-E290 WeakPolarHBondContact CB-O 3.4Å; K165-E290 WeakPolarHBondContact CD-O 3.49Å; K165-E290 WeakPolarHBondContact CE-OE2 3.41Å; K165-E290 WeakPolarHBondContact CG-O 3.36Å; K165-E290 IonicContact NZ-OE2 2.83Å; K165-E290 PolarHBondContact NZ-OE2 2.99Å; F185-E290 HydrophobicContact CB-CG 4.37Å; F185-E290 HydrophobicContact CD1-CG 4.42Å; F185-E290 HydrophobicContact CD2-CB 3.78Å; F185-E290 HydrophobicContact CD2-CG 3.34Å; F185-E290 HydrophobicContact CE2-CB 3.56Å; F185-E290 HydrophobicContact CE2-CG 3.52Å; F185-E290 HydrophobicContact CG-CG 3.82Å; F185-E290 HydrophobicContact CZ-CB 4.3Å; F185-E290 HydrophobicContact CZ-CG 4.1Å; K186-E290 WeakPolarHBondContact CB-OE1 3.47Å; K186-E290 PolarHBondContact N-OE1 2.77Å; E187-E290 VanDerWaalsContact O-CB 3.31Å; E187-E290 WeakPolarHBondContact O-CB 3.4Å; E187-E290 VanDerWaalsContact O-CG 3.26Å; E187-E290 WeakPolarHBondContact O-CG 3.28Å; N189-E290 PolarHBondContact O-N 3.47Å
291	M	98.9	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	136.1	166.2	172.3	-178.6	-179.9	0	0	110.1	K165 T178 A181 L182 F185 N189 A190 I191 F192 F216	K165-M291 CarbonylContact O-C 3.58Å; K165-M291 WeakPolarHBondContact O-CA 3.46Å; T178-M291 HydrophobicContact CG2-CE 3.88Å; A181-M291 HydrophobicContact CB-CG 4.16Å; L182-M291 HydrophobicContact CB-CE 3.96Å; L182-M291 HydrophobicContact CB-SD 4.03Å; L182-M291 HydrophobicContact CD1-CE 4.45Å; L182-M291 HydrophobicContact CD1-SD 3.92Å; F185-M291 HydrophobicContact CD2-CB 3.77Å; F185-M291 HydrophobicContact CE2-CB 4.45Å; N189-M291 PolarHBondContact O-N 3.41Å; N189-M291 VanDerWaalsContact O-N 3.1Å; A190-M291 CarbonylContact C-O 3.55Å; A190-M291 WeakPolarHBondContact CA-O 3.45Å; A190-M291 HydrophobicContact CB-CB 4.3Å; I191-M291 PolarHBondContact N-O 2.82Å; F192-M291 HydrophobicContact CE1-CE 3.98Å; F192-M291 HydrophobicContact CZ-CE 4.07Å; F192-M291 HydrophobicContact CZ-SD 4.21Å; F216-M291 HydrophobicContact CZ-SD 4.29Å
292	L	99	Very high	98.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.9	170.9	178.6	65	0	0	0	110.8	K165 I166 G167 I191 T193 V266 A273 Y289 V294	K165-L292 PolarHBondContact O-N 2.95Å; I166-L292 CarbonylContact C-O 3.15Å; I166-L292 WeakPolarHBondContact CA-O 3.29Å; I166-L292 HydrophobicContact CD1-CD2 3.88Å; I166-L292 HydrophobicContact CG1-CB 4.27Å; I166-L292 HydrophobicContact CG1-CD2 4.2Å; I166-L292 HydrophobicContact CG1-CG 4.34Å; G167-L292 PolarHBondContact N-O 3.28Å; I191-L292 HydrophobicContact CB-CD1 3.91Å; I191-L292 HydrophobicContact CG2-CD1 4.05Å; I191-L292 CarbonylContact O-C 3.37Å; I191-L292 WeakPolarHBondContact O-CA 3.41Å; T193-L292 HydrophobicContact CG2-CD1 3.95Å; V266-L292 HydrophobicContact CG1-CD2 4.21Å; V266-L292 HydrophobicContact CG2-CD2 3.87Å; A273-L292 HydrophobicContact CB-CD2 4.17Å; Y289-L292 HydrophobicContact CD1-CB 3.97Å; Y289-L292 HydrophobicContact CD1-CD2 4.06Å; Y289-L292 HydrophobicContact CD2-CB 3.6Å; Y289-L292 HydrophobicContact CE1-CB 4.05Å; Y289-L292 HydrophobicContact CE1-CD2 3.64Å; Y289-L292 HydrophobicContact CE1-CG 4.45Å; Y289-L292 HydrophobicContact CE2-CB 3.7Å; Y289-L292 HydrophobicContact CG-CB 3.75Å; L292-V294 HydrophobicContact CD1-CG2 4.49Å; L292-V294 HydrophobicContact CD2-CG2 3.83Å; L292-V294 HydrophobicContact CG-CG2 3.84Å
293	H	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.3	164.2	172.1	-85.5	0	0	0	109.8	G167 N169 Y170 T178 I191 F192 T193 T295	G167-H293 WeakPolarHBondContact O-CA 3.09Å; N169-H293 WeakPolarHBondContact CA-NE2 3.42Å; N169-H293 WeakPolarHBondContact CB-NE2 3.34Å; N169-H293 PolarHBondContact N-NE2 2.95Å; N169-H293 PolarHBondContact ND2-NE2 3.35Å; Y170-H293 AromaticContact CD2-CE1 3.8Å; Y170-H293 AromaticContact CE2-CE1 3.53Å; T178-H293 HydrophobicContact CG2-CB 4.5Å; I191-H293 PolarHBondContact O-N 3.15Å; F192-H293 HydrophobicContact CD1-CB 3.57Å; F192-H293 HydrophobicContact CE1-CB 3.87Å; F192-H293 HydrophobicContact CG-CB 4.49Å; T193-H293 PolarHBondContact N-O 3.44Å; T193-H293 VanDerWaalsContact N-O 3.14Å; H293-T295 PolarHBondContact CE1-OG1 2.84Å
294	V	98.9	Very high	98.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-91.5	127.1	178.5	179	0	0	0	0	110.2	I154 L157 F161 I166 G167 S168 L263 L292	I154-V294 HydrophobicContact CD1-CG1 3.62Å; L157-V294 HydrophobicContact CD1-CB 4.37Å; L157-V294 HydrophobicContact CD1-CG1 3.83Å; L157-V294 HydrophobicContact CD1-CG2 4Å; F161-V294 HydrophobicContact CZ-CB 4.39Å; I166-V294 HydrophobicContact CD1-CG2 4.05Å; I166-V294 HydrophobicContact CG1-CG2 4.25Å; G167-V294 PolarHBondContact O-N 3.49Å; S168-V294 WeakPolarHBondContact CB-O 3.34Å; S168-V294 PolarHBondContact OG-O 2.98Å; L263-V294 HydrophobicContact CD2-CB 4.48Å; L263-V294 HydrophobicContact CD2-CG1 3.97Å; L263-V294 HydrophobicContact CD2-CG2 3.92Å; L292-V294 HydrophobicContact CD1-CG2 4.49Å; L292-V294 HydrophobicContact CD2-CG2 3.83Å; L292-V294 HydrophobicContact CG-CG2 3.84Å
295	T	98.9	Very high	98.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-93.7	116.2	156.6	-57.7	0	0	0	0	108.2	Y170 T193 P195 V199 P205 H293 M298	Y170-T295 HydrophobicContact CD2-CG2 4Å; Y170-T295 HydrophobicContact CE2-CG2 3.5Å; Y170-T295 VanDerWaalsContact CE2-CG2 3.5Å; T193-T295 WeakPolarHBondContact O-CB 3.44Å; T193-T295 PolarHBondContact O-OG1 3.07Å; T193-T295 PolarHBondContact OG1-N 2.93Å; P195-T295 VanDerWaalsContact CD-CG2 3.48Å; P195-T295 HydrophobicContact CG-CG2 4.1Å; V199-T295 HydrophobicContact CG1-CG2 4.38Å; P205-T295 VanDerWaalsContact CB-OG1 3.3Å; P205-T295 WeakPolarHBondContact CB-OG1 3.44Å; P205-T295 HydrophobicContact CG-CG2 3.95Å; P205-T295 WeakPolarHBondContact CG-OG1 3.35Å; H293-T295 PolarHBondContact CE1-OG1 2.84Å; T295-M298 HydrophobicContact CG2-CE 3.75Å
296	P	98.9	Very high	98.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-68.6	147.9	-179.9	29.8	-36.1	0	0	0	110.7	L149 Y151 P195 M298	L149-P296 HydrophobicContact CB-CG 4.22Å; L149-P296 HydrophobicContact CD2-CG 4.04Å; Y151-P296 HydrophobicContact CD1-CB 3.63Å; Y151-P296 HydrophobicContact CD1-CG 4.22Å; 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 3.71Å; Y151-P296 HydrophobicContact CE2-CB 4.13Å; Y151-P296 HydrophobicContact CE2-CG 3.95Å; Y151-P296 HydrophobicContact CG-CB 3.87Å; P195-P296 WeakPolarHBondContact CG-O 3.16Å; P296-M298 HydrophobicContact CG-CE 4.11Å; P296-M298 WeakPolarHBondContact O-CE 3.25Å; P296-M298 VanDerWaalsContact O-CG 3.27Å; P296-M298 WeakPolarHBondContact O-CG 3.45Å
297	P	98.9	Very high	98.4	Very high	12 Å²	12	24.5 Å²	24.5	8%	0.078	14%	0.142	C	C	.	.			trans	-45.5	144.9	155.1	-27.7	35.6	0	0	0	111	H150 K153 I154 P195 T197	H150-P297 WeakPolarHBondContact CA-O 3.45Å; H150-P297 HydrophobicContact CB-CB 4.27Å; H150-P297 WeakPolarHBondContact CB-O 3.38Å; H150-P297 PolarHBondContact N-O 3.21Å; H150-P297 WeakPolarHBondContact O-CD 3.3Å; K153-P297 HydrophobicContact CB-CB 4.34Å; K153-P297 HydrophobicContact CB-CG 4.16Å; K153-P297 HydrophobicContact CD-CB 4.43Å; I154-P297 HydrophobicContact CD1-CG 4.43Å; I154-P297 HydrophobicContact CG1-CG 4.26Å; P195-P297 HydrophobicContact CB-CB 4.34Å; P195-P297 HydrophobicContact CB-CG 4.02Å; T197-P297 HydrophobicContact CG2-CB 3.86Å
298	M	98.9	Very high	98.4	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.5	-179.6	-46.8	-178.3	-158.8	0	0	110.7	I147 Q148 L149 Y170 T197 P198 V199 K200 T295 P296	I147-M298 HydrophobicContact CD1-CB 3.55Å; I147-M298 HydrophobicContact CD1-CG 4.47Å; I147-M298 HydrophobicContact CD1-SD 4.22Å; I147-M298 HydrophobicContact CG1-CB 3.91Å; I147-M298 HydrophobicContact CG2-SD 4.45Å; Q148-M298 WeakPolarHBondContact O-CA 3.14Å; Q148-M298 VanDerWaalsContact O-CB 3.28Å; Q148-M298 WeakPolarHBondContact O-CB 3.42Å; L149-M298 HydrophobicContact CD2-CE 4.16Å; L149-M298 HydrophobicContact CD2-CG 3.88Å; L149-M298 HydrophobicContact CD2-SD 3.72Å; Y170-M298 HydrophobicContact CD1-CE 3.47Å; Y170-M298 VanDerWaalsContact CD1-CE 3.47Å; Y170-M298 HydrophobicContact CD1-SD 4.45Å; Y170-M298 HydrophobicContact CD2-CE 4.35Å; Y170-M298 HydrophobicContact CE1-CE 3.43Å; Y170-M298 VanDerWaalsContact CE1-CE 3.43Å; Y170-M298 HydrophobicContact CE1-SD 4.46Å; Y170-M298 HydrophobicContact CE2-CE 4.33Å; Y170-M298 HydrophobicContact CG-CE 3.93Å; T197-M298 WeakPolarHBondContact CB-O 3.48Å; T197-M298 PolarHBondContact OG1-N 2.83Å; T197-M298 PolarHBondContact OG1-O 2.98Å; P198-M298 WeakPolarHBondContact O-CB 3.47Å; V199-M298 HydrophobicContact CB-CE 3.81Å; V199-M298 HydrophobicContact CB-SD 3.82Å; V199-M298 HydrophobicContact CG1-CE 3.74Å; V199-M298 HydrophobicContact CG1-CG 4.19Å; V199-M298 HydrophobicContact CG1-SD 4.01Å; K200-M298 HydrophobicContact CG-SD 4Å; T295-M298 HydrophobicContact CG2-CE 3.75Å; P296-M298 HydrophobicContact CG-CE 4.11Å; P296-M298 WeakPolarHBondContact O-CE 3.25Å; P296-M298 VanDerWaalsContact O-CG 3.27Å; P296-M298 WeakPolarHBondContact O-CG 3.45Å
299	G	98.5	Very high	98.4	Very high	7 Å²	7	22.2 Å²	22.2	7%	0.072	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	-177	179.5	0	0	0	0	0	112.2	I147 Q148	I147-G299 WeakPolarHBondContact CG1-O 3.28Å; Q148-G299 PolarHBondContact N-O 3.45Å; Q148-G299 PolarHBondContact O-N 3.09Å; Q148-G299 VanDerWaalsContact O-N 3.14Å
300	P	98.6	Very high	98.4	Very high	8 Å²	8	22.4 Å²	22.4	5%	0.052	13%	0.131	C	C	.	.	S	Bend	trans	-57.2	148.3	171.5	-12.4	22.6	0	0	0	110.7	D302 K305 A313 G314 W315	P300-D302 PolarHBondContact O-N 2.91Å; P300-K305 HydrophobicContact CB-CG 4.18Å; P300-K305 HydrophobicContact CG-CG 4.39Å; P300-K305 WeakPolarHBondContact O-CE 3.48Å; P300-K305 PolarHBondContact O-NZ 3.48Å; P300-A313 VanDerWaalsContact CG-O 3.3Å; P300-A313 WeakPolarHBondContact CG-O 3.46Å; P300-G314 WeakPolarHBondContact CB-O 3.13Å; P300-G314 VanDerWaalsContact CG-C 3.43Å; P300-G314 WeakPolarHBondContact CG-O 3.37Å; P300-W315 HydrophobicContact CB-CD2 4.4Å; P300-W315 HydrophobicContact CB-CE3 4.13Å; P300-W315 HydrophobicContact CB-CZ3 4.37Å; P300-W315 HydrophobicContact CG-CD2 3.74Å; P300-W315 HydrophobicContact CG-CE3 3.92Å; P300-W315 HydrophobicContact CG-CG 4.17Å; P300-W315 HydrophobicContact CG-CH2 4.3Å; P300-W315 HydrophobicContact CG-CZ2 4.13Å; P300-W315 HydrophobicContact CG-CZ3 4.2Å
301	P	98.8	Very high	98.3	Very high	13 Å²	13	23.4 Å²	23.4	8%	0.084	14%	0.137	C	C	.	.			trans	-47.5	135.6	162.9	-28	35.2	0	0	0	111.8	L145 G146 V303 L304	L145-P301 HydrophobicContact CB-CB 4.38Å; L145-P301 HydrophobicContact CB-CG 3.84Å; G146-P301 WeakPolarHBondContact O-CD 3.37Å; P301-V303 VanDerWaalsContact C-N 3.25Å; P301-V303 HydrophobicContact CB-CG1 4.28Å; P301-V303 PolarHBondContact O-N 3.37Å; P301-V303 VanDerWaalsContact O-N 3.17Å; P301-L304 HydrophobicContact CB-CD1 4.44Å; P301-L304 HydrophobicContact CG-CD1 4.26Å; P301-L304 WeakPolarHBondContact O-CB 3.24Å; P301-L304 PolarHBondContact O-N 2.89Å
302	D	98.3	Very high	98.3	Very high	85 Å²	85	29 Å²	29	46%	0.455	18%	0.183	S	C	.	.	H	α-helix	trans	-53.6	-41	-173.5	-69.5	-33.8	0	0	0	113.3	Q148 H150 P300 L304 K305	Q148-D302 VanDerWaalsContact NE2-CG 3.34Å; Q148-D302 PolarHBondContact NE2-OD2 2.97Å; Q148-D302 VanDerWaalsContact OE1-CG 3.31Å; Q148-D302 PolarHBondContact OE1-OD2 3.35Å; H150-D302 IonicContact CE1-OD1 3.85Å; P300-D302 PolarHBondContact O-N 2.91Å; D302-L304 PolarHBondContact O-N 3.06Å; D302-L304 VanDerWaalsContact O-N 3.11Å; D302-K305 WeakPolarHBondContact O-CB 3.49Å; D302-K305 PolarHBondContact O-N 3.31Å; D302-K305 IonicContact OD1-NZ 3.05Å; D302-K305 PolarHBondContact OD1-NZ 2.93Å
303	V	98.4	Very high	98.2	Very high	28 Å²	28	32 Å²	32	17%	0.17	21%	0.208	C	C	.	.	H	α-helix	trans	-59.1	-20.6	176.8	64.9	0	0	0	0	114.3	V118 I119 L121 L145 P301 S307	V118-V303 HydrophobicContact CG1-CG2 4.12Å; I119-V303 WeakPolarHBondContact O-CG2 3.09Å; L121-V303 HydrophobicContact CD1-CG2 3.73Å; L145-V303 HydrophobicContact CD1-CG1 3.94Å; P301-V303 VanDerWaalsContact C-N 3.25Å; P301-V303 HydrophobicContact CB-CG1 4.28Å; P301-V303 PolarHBondContact O-N 3.37Å; P301-V303 VanDerWaalsContact O-N 3.17Å; V303-S307 WeakPolarHBondContact O-CB 3.47Å
304	L	98.7	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-90.4	-26.6	175.1	-66.2	177.1	0	0	0	112.9	L121 I143 L145 P301 D302 T306 S307 V309 A310 V316 C337	L121-L304 HydrophobicContact CD1-CD2 4.23Å; L121-L304 HydrophobicContact CD2-CD2 4.12Å; I143-L304 HydrophobicContact CG2-CD1 4.24Å; I143-L304 HydrophobicContact CG2-CD2 4.2Å; L145-L304 HydrophobicContact CB-CD1 4.43Å; L145-L304 HydrophobicContact CD1-CD1 4.08Å; L145-L304 HydrophobicContact CD1-CD2 4.15Å; L145-L304 HydrophobicContact CD1-CG 4.02Å; P301-L304 HydrophobicContact CB-CD1 4.44Å; P301-L304 HydrophobicContact CG-CD1 4.26Å; P301-L304 WeakPolarHBondContact O-CB 3.24Å; P301-L304 PolarHBondContact O-N 2.89Å; D302-L304 PolarHBondContact O-N 3.06Å; D302-L304 VanDerWaalsContact O-N 3.11Å; L304-T306 PolarHBondContact O-N 3.45Å; L304-S307 PolarHBondContact O-N 3.11Å; L304-V309 HydrophobicContact CD2-CG2 3.82Å; L304-A310 WeakPolarHBondContact O-CB 3.45Å; L304-V316 HydrophobicContact CD1-CG2 3.69Å; L304-V316 HydrophobicContact CD2-CG2 4.22Å; L304-C337 HydrophobicContact CD1-CB 3.89Å
305	K	95.9	Very high	98.2	Very high	76 Å²	76	33.4 Å²	33.4	33%	0.33	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-29.3	-170.6	-70.9	177.7	177.8	147.2	0	114.4	H150 P300 D302	H150-K305 PolarHBondContact CE1-NZ 3.06Å; H150-K305 VanDerWaalsContact CE1-NZ 3.28Å; H150-K305 PolarHBondContact NE2-NZ 3.43Å; P300-K305 HydrophobicContact CB-CG 4.18Å; P300-K305 HydrophobicContact CG-CG 4.39Å; P300-K305 WeakPolarHBondContact O-CE 3.48Å; P300-K305 PolarHBondContact O-NZ 3.48Å; D302-K305 WeakPolarHBondContact O-CB 3.49Å; D302-K305 PolarHBondContact O-N 3.31Å; D302-K305 IonicContact OD1-NZ 3.05Å; D302-K305 PolarHBondContact OD1-NZ 2.93Å
306	T	93.9	Very high	98.2	Very high	135 Å²	135	33.4 Å²	33.4	83%	0.828	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.1	7.9	178.6	54	0	0	0	0	113	L304	L304-T306 PolarHBondContact O-N 3.45Å
307	S	98.2	Very high	98.2	Very high	13 Å²	13	34.3 Å²	34.3	9%	0.091	22%	0.219	C	C	.	.	S	Bend	trans	-81.5	144.7	-176.2	-178.8	0	0	0	0	111.9	V303 L304 V309 A310	V303-S307 WeakPolarHBondContact O-CB 3.47Å; L304-S307 PolarHBondContact O-N 3.11Å; S307-V309 PolarHBondContact O-N 2.94Å; S307-A310 WeakPolarHBondContact O-CB 3.45Å; S307-A310 PolarHBondContact O-N 2.95Å
308	P	98.5	Very high	98.2	Very high	52 Å²	52	33.8 Å²	33.8	34%	0.338	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.8	176.3	-25.7	34.5	0	0	0	115	P123 A310 R327 Y328	P123-P308 HydrophobicContact CG-CB 3.85Å; P123-P308 HydrophobicContact CG-CG 4.43Å; P308-A310 VanDerWaalsContact C-N 3.28Å; P308-A310 PolarHBondContact O-N 2.79Å; P308-R327 VanDerWaalsContact O-CZ 3.31Å; P308-R327 PolarHBondContact O-NH1 2.81Å; P308-R327 PolarHBondContact O-NH2 3Å; P308-Y328 HydrophobicContact CB-CE2 4.23Å
309	V	98.8	Very high	98.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.1	176.5	-51.1	0	0	0	0	114.6	L121 P123 I143 L304 S307 V316 D317 H325 Y328 V331	L121-V309 HydrophobicContact CD2-CG1 4.48Å; L121-V309 HydrophobicContact CD2-CG2 4.06Å; P123-V309 HydrophobicContact CB-CG1 4.04Å; P123-V309 HydrophobicContact CG-CG1 3.83Å; I143-V309 HydrophobicContact CD1-CB 4.18Å; I143-V309 HydrophobicContact CD1-CG1 4.27Å; I143-V309 HydrophobicContact CD1-CG2 3.72Å; L304-V309 HydrophobicContact CD2-CG2 3.82Å; S307-V309 PolarHBondContact O-N 2.94Å; V309-V316 WeakPolarHBondContact O-CA 3.07Å; V309-D317 PolarHBondContact O-N 3.14Å; V309-H325 WeakPolarHBondContact CA-NE2 3.28Å; V309-H325 PolarHBondContact O-CD2 3.15Å; V309-H325 PolarHBondContact O-NE2 3.21Å; V309-Y328 HydrophobicContact CG1-CD2 4.22Å; V309-Y328 HydrophobicContact CG1-CE2 4.44Å; V309-V331 HydrophobicContact CG1-CG1 4.36Å
310	A	98.6	Very high	98.2	Very high	12 Å²	12	40.7 Å²	40.7	10%	0.099	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-96.1	156.4	-175.4	0	0	0	0	0	113.5	L304 S307 P308 W315 R327	L304-A310 WeakPolarHBondContact O-CB 3.45Å; S307-A310 WeakPolarHBondContact O-CB 3.45Å; S307-A310 PolarHBondContact O-N 2.95Å; P308-A310 VanDerWaalsContact C-N 3.28Å; P308-A310 PolarHBondContact O-N 2.79Å; A310-W315 CarbonylContact C-O 3.53Å; A310-W315 VanDerWaalsContact CA-O 3.23Å; A310-W315 WeakPolarHBondContact CA-O 3.37Å; A310-R327 PolarHBondContact O-NH2 2.92Å
311	D	98.6	Very high	98.2	Very high	43 Å²	43	42.8 Å²	42.8	23%	0.23	26%	0.255	C	S	.	.			trans	-82.7	178.4	164.4	70.7	13.9	0	0	0	111.9	A313 G314 W315 D317 N339	D311-A313 PolarHBondContact O-N 2.91Å; D311-A313 WeakPolarHBondContact OD1-CA 3.38Å; D311-A313 PolarHBondContact OD1-N 3.07Å; D311-G314 PolarHBondContact O-N 2.95Å; D311-G314 PolarHBondContact OD1-N 3.03Å; D311-G314 VanDerWaalsContact OD1-N 3.12Å; D311-W315 PolarHBondContact N-O 3.22Å; D311-W315 PolarHBondContact OD1-N 2.89Å; D311-D317 HydrophobicContact CB-CB 4.09Å; D311-N339 WeakPolarHBondContact OD2-CB 3.4Å; D311-N339 PolarHBondContact OD2-ND2 2.95Å
312	A	97.9	Very high	98.2	Very high	118 Å²	118	43 Å²	43	98%	0.975	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-8.7	-179.3	0	0	0	0	0	114.9
313	A	97.7	Very high	98.2	Very high	64 Å²	64	39 Å²	39	53%	0.529	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	7.2	173.6	0	0	0	0	0	112.9	P300 D311	P300-A313 VanDerWaalsContact CG-O 3.3Å; P300-A313 WeakPolarHBondContact CG-O 3.46Å; D311-A313 PolarHBondContact O-N 2.91Å; D311-A313 WeakPolarHBondContact OD1-CA 3.38Å; D311-A313 PolarHBondContact OD1-N 3.07Å
314	G	98.4	Very high	98.3	Very high	4 Å²	4	39.1 Å²	39.1	4%	0.041	23%	0.233	C	C	.	.	S	Bend	trans	85.5	5.2	174.8	0	0	0	0	0	115.4	P300 D311	P300-G314 WeakPolarHBondContact CB-O 3.13Å; P300-G314 VanDerWaalsContact CG-C 3.43Å; P300-G314 WeakPolarHBondContact CG-O 3.37Å; D311-G314 PolarHBondContact O-N 2.95Å; D311-G314 PolarHBondContact OD1-N 3.03Å; D311-G314 VanDerWaalsContact OD1-N 3.12Å
315	W	98.9	Very high	98.3	Very high	25 Å²	25	39.3 Å²	39.3	10%	0.095	23%	0.234	C	C	.	.	S	Bend	trans	-89.9	150.6	179.4	-54.1	99.7	0	0	0	111.1	I147 P198 P300 A310 D311 D317 D336 C337 N339 K344	I147-W315 HydrophobicContact CD1-CH2 3.8Å; I147-W315 HydrophobicContact CD1-CZ3 4.23Å; I147-W315 HydrophobicContact CG1-CH2 3.89Å; I147-W315 HydrophobicContact CG1-CZ3 3.99Å; P198-W315 HydrophobicContact CB-CH2 4.32Å; P198-W315 HydrophobicContact CB-CZ2 3.92Å; P198-W315 HydrophobicContact CG-CZ2 3.98Å; P300-W315 HydrophobicContact CB-CD2 4.4Å; P300-W315 HydrophobicContact CB-CE3 4.13Å; P300-W315 HydrophobicContact CB-CZ3 4.37Å; P300-W315 HydrophobicContact CG-CD2 3.74Å; P300-W315 HydrophobicContact CG-CE3 3.92Å; P300-W315 HydrophobicContact CG-CG 4.17Å; P300-W315 HydrophobicContact CG-CH2 4.3Å; P300-W315 HydrophobicContact CG-CZ2 4.13Å; P300-W315 HydrophobicContact CG-CZ3 4.2Å; A310-W315 CarbonylContact C-O 3.53Å; A310-W315 VanDerWaalsContact CA-O 3.23Å; A310-W315 WeakPolarHBondContact CA-O 3.37Å; D311-W315 PolarHBondContact N-O 3.22Å; D311-W315 PolarHBondContact OD1-N 2.89Å; W315-D317 PolarHBondContact O-N 2.85Å; W315-D336 WeakPolarHBondContact CZ3-O 3.25Å; W315-C337 WeakPolarHBondContact CA-O 3.39Å; W315-N339 HydrophobicContact CB-CB 3.87Å; W315-K344 VanDerWaalsContact CE3-NZ 3.25Å; W315-K344 HydrophobicContact CZ3-CD 4.46Å; W315-K344 VanDerWaalsContact CZ3-NZ 3.32Å
316	V	98.9	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-60	123.2	177.7	-171.5	0	0	0	0	110.3	I143 L304 V309 V318 C337 N339	I143-V316 HydrophobicContact CB-CG2 4.13Å; I143-V316 HydrophobicContact CD1-CG1 4.08Å; I143-V316 HydrophobicContact CD1-CG2 4.28Å; I143-V316 HydrophobicContact CG2-CG2 3.69Å; L304-V316 HydrophobicContact CD1-CG2 3.69Å; L304-V316 HydrophobicContact CD2-CG2 4.22Å; V309-V316 WeakPolarHBondContact O-CA 3.07Å; V316-V318 HydrophobicContact CG1-CG1 4.12Å; V316-V318 PolarHBondContact O-N 3.35Å; V316-V318 VanDerWaalsContact O-N 3.13Å; V316-C337 HydrophobicContact CG2-CB 4.32Å; V316-C337 PolarHBondContact N-O 2.81Å; V316-N339 PolarHBondContact O-N 2.81Å; V316-N339 VanDerWaalsContact O-N 3.13Å; V316-N339 PolarHBondContact O-OD1 2.75Å
317	D	98.9	Very high	98.6	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.102	23%	0.226	C	C	.	.			trans	-86.2	83.5	-168.1	-176.3	36.7	0	0	0	113	V309 D311 W315 H325 K326 R327 N339	V309-D317 PolarHBondContact O-N 3.14Å; D311-D317 HydrophobicContact CB-CB 4.09Å; W315-D317 PolarHBondContact O-N 2.85Å; D317-H325 WeakPolarHBondContact O-CA 3.26Å; D317-H325 PolarHBondContact O-CD2 3.42Å; D317-K326 PolarHBondContact O-N 2.85Å; D317-K326 WeakPolarHBondContact OD1-CE 3.3Å; D317-K326 IonicContact OD1-NZ 3.61Å; D317-K326 PolarHBondContact OD1-NZ 2.97Å; D317-R327 IonicContact OD2-CZ 2.98Å; D317-R327 IonicContact OD2-NE 3.86Å; D317-R327 IonicContact OD2-NH2 2.83Å; D317-N339 PolarHBondContact OD1-ND2 2.87Å
318	V	98.9	Very high	98.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-102	151.1	-175.2	-66.6	0	0	0	0	112.6	V316 Q324 K326 T338 N339 L340	V316-V318 HydrophobicContact CG1-CG1 4.12Å; V316-V318 PolarHBondContact O-N 3.35Å; V316-V318 VanDerWaalsContact O-N 3.13Å; V318-Q324 CarbonylContact C-O 3.51Å; V318-Q324 WeakPolarHBondContact CA-O 3.32Å; V318-K326 WeakPolarHBondContact O-CE 3.48Å; V318-K326 PolarHBondContact O-NZ 3.49Å; V318-T338 HydrophobicContact CG2-CG2 4.19Å; V318-N339 PolarHBondContact N-OD1 2.95Å; V318-N339 VanDerWaalsContact N-OD1 3.09Å; V318-N339 PolarHBondContact O-OD1 2.84Å; V318-L340 HydrophobicContact CG2-CD2 3.51Å; V318-L340 HydrophobicContact CG2-CG 3.78Å
319	D	98.9	Very high	98.7	Very high	48 Å²	48	43.5 Å²	43.5	26%	0.257	24%	0.239	S	C	.	.			trans	-61.8	135.6	160.3	168.4	-107.3	0	0	0	110.4	E321 T322 L323 Q324	D319-E321 VanDerWaalsContact C-N 3.26Å; D319-E321 PolarHBondContact O-N 3Å; D319-E321 PolarHBondContact OD1-N 2.76Å; D319-T322 WeakPolarHBondContact CB-OG1 3.46Å; D319-T322 WeakPolarHBondContact OD1-CB 3.41Å; D319-T322 WeakPolarHBondContact OD1-CG2 3.32Å; D319-T322 PolarHBondContact OD1-N 3.03Å; D319-T322 PolarHBondContact OD1-OG1 2.72Å; D319-L323 PolarHBondContact O-N 3.13Å; D319-L323 VanDerWaalsContact O-N 3.08Å; D319-Q324 PolarHBondContact N-O 3.04Å
320	K	98.8	Very high	98.7	Very high	110 Å²	110	44.8 Å²	44.8	48%	0.478	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-24	-171.6	72.9	-172.8	-179.2	179.2	0	113.3	Y395	K320-Y395 HydrophobicContact CB-CE2 4.35Å; K320-Y395 WeakPolarHBondContact O-CE2 3.39Å; K320-Y395 PolarHBondContact O-OH 3.48Å
321	E	98.8	Very high	98.7	Very high	52 Å²	52	44.2 Å²	44.2	24%	0.243	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-32.7	-173.6	-58.5	-173.3	149	0	0	112.4	D319 I355 K372 Y373	D319-E321 VanDerWaalsContact C-N 3.26Å; D319-E321 PolarHBondContact O-N 3Å; D319-E321 PolarHBondContact OD1-N 2.76Å; E321-I355 WeakPolarHBondContact O-CG2 3.44Å; E321-K372 HydrophobicContact CB-CB 4Å; E321-K372 HydrophobicContact CB-CG 4.05Å; E321-K372 HydrophobicContact CG-CB 4.43Å; E321-K372 HydrophobicContact CG-CD 4.49Å; E321-K372 HydrophobicContact CG-CG 4.45Å; E321-K372 CarbonylContact O-C 3.44Å; E321-K372 WeakPolarHBondContact O-CA 3.45Å; E321-K372 IonicContact OE1-NZ 2.69Å; E321-K372 PolarHBondContact OE1-NZ 2.74Å; E321-K372 VanDerWaalsContact OE2-CD 3.31Å; E321-K372 WeakPolarHBondContact OE2-CD 3.16Å; E321-K372 WeakPolarHBondContact OE2-CE 3.48Å; E321-K372 IonicContact OE2-NZ 2.93Å; E321-K372 PolarHBondContact OE2-NZ 2.64Å; E321-Y373 WeakPolarHBondContact O-CB 3.29Å; E321-Y373 PolarHBondContact O-N 2.98Å
322	T	98.8	Very high	98.7	Very high	17 Å²	17	42.1 Å²	42.1	10%	0.104	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-20.2	-169.8	62.9	0	0	0	0	114.1	D319 Q324 T359 P369	D319-T322 WeakPolarHBondContact CB-OG1 3.46Å; D319-T322 WeakPolarHBondContact OD1-CB 3.41Å; D319-T322 WeakPolarHBondContact OD1-CG2 3.32Å; D319-T322 PolarHBondContact OD1-N 3.03Å; D319-T322 PolarHBondContact OD1-OG1 2.72Å; T322-Q324 PolarHBondContact O-N 3.34Å; T322-T359 WeakPolarHBondContact O-CB 3.39Å; T322-T359 VanDerWaalsContact O-CG2 3.26Å; T322-T359 WeakPolarHBondContact O-CG2 3.22Å; T322-T359 PolarHBondContact O-OG1 2.81Å; T322-P369 HydrophobicContact CG2-CB 3.72Å; T322-P369 HydrophobicContact CG2-CG 4.35Å
323	L	98.9	Very high	98.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.			trans	67.4	12.5	-176.1	-72.5	70.3	0	0	0	115.2	D319 F332 G333 L340 Q352 I355 L356 Y373	D319-L323 PolarHBondContact O-N 3.13Å; D319-L323 VanDerWaalsContact O-N 3.08Å; L323-F332 WeakPolarHBondContact O-CA 3.49Å; L323-G333 PolarHBondContact O-N 3.19Å; L323-G333 VanDerWaalsContact O-N 3.13Å; L323-L340 HydrophobicContact CD1-CD1 4.31Å; L323-L340 HydrophobicContact CD1-CD2 4.21Å; L323-L340 HydrophobicContact CD2-CD1 3.91Å; L323-L340 HydrophobicContact CG-CD1 3.88Å; L323-L340 HydrophobicContact CG-CD2 4.16Å; L323-Q352 HydrophobicContact CD2-CB 3.56Å; L323-Q352 HydrophobicContact CD2-CG 3.8Å; L323-I355 HydrophobicContact CD1-CG2 4.37Å; L323-L356 HydrophobicContact CB-CB 4.38Å; L323-L356 HydrophobicContact CB-CD1 4.07Å; L323-L356 HydrophobicContact CD2-CB 4.35Å; L323-Y373 HydrophobicContact CD1-CD1 3.94Å; L323-Y373 HydrophobicContact CD1-CG 4.26Å
324	Q	98.9	Very high	98.8	Very high	32 Å²	32	33.5 Å²	33.5	15%	0.15	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-78.5	142.5	169	-169.7	173.4	13.3	0	0	110.2	V318 D319 T322 P329 F332 T359 I363	V318-Q324 CarbonylContact C-O 3.51Å; V318-Q324 WeakPolarHBondContact CA-O 3.32Å; D319-Q324 PolarHBondContact N-O 3.04Å; T322-Q324 PolarHBondContact O-N 3.34Å; Q324-P329 PolarHBondContact NE2-O 3.37Å; Q324-F332 HydrophobicContact CB-CD1 3.99Å; Q324-F332 HydrophobicContact CB-CE1 3.89Å; Q324-F332 HydrophobicContact CG-CD1 4.17Å; Q324-F332 HydrophobicContact CG-CE1 3.74Å; Q324-F332 HydrophobicContact CG-CZ 4.45Å; Q324-T359 HydrophobicContact CB-CG2 4.29Å; Q324-I363 VanDerWaalsContact NE2-CD1 3.32Å
325	H	98.9	Very high	98.9	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-71	132.9	178	-178.2	-101.2	0	0	0	111	V309 D317 R327 Y328 V331	V309-H325 WeakPolarHBondContact CA-NE2 3.28Å; V309-H325 PolarHBondContact O-CD2 3.15Å; V309-H325 PolarHBondContact O-NE2 3.21Å; D317-H325 WeakPolarHBondContact O-CA 3.26Å; D317-H325 PolarHBondContact O-CD2 3.42Å; H325-R327 PolarHBondContact ND1-N 3.46Å; H325-R327 PolarHBondContact NE2-NH2 2.8Å; H325-R327 PolarHBondContact O-N 3.34Å; H325-R327 VanDerWaalsContact O-N 3.11Å; H325-Y328 AromaticContact CE1-CD2 3.2Å; H325-Y328 WeakPolarHBondContact CE1-CD2 3.46Å; H325-Y328 AromaticContact CE1-CE2 3.74Å; H325-Y328 WeakPolarHBondContact ND1-CB 3.45Å; H325-Y328 AromaticContact ND1-CD2 3.2Å; H325-Y328 WeakPolarHBondContact ND1-CD2 3.46Å; H325-Y328 AromaticContact ND1-CG 3.66Å; H325-Y328 PolarHBondContact ND1-N 3.08Å; H325-Y328 VanDerWaalsContact ND1-N 3.14Å; H325-Y328 PolarHBondContact O-N 2.8Å; H325-V331 HydrophobicContact CB-CB 3.83Å; H325-V331 HydrophobicContact CB-CG1 3.97Å; H325-V331 VanDerWaalsContact CB-O 3.28Å; H325-V331 WeakPolarHBondContact CB-O 3.45Å; H325-V331 PolarHBondContact N-O 2.83Å
326	K	98.8	Very high	98.9	Very high	122 Å²	122	33.7 Å²	33.7	53%	0.53	16%	0.162	S	C	.	.	S	Bend	trans	-62.3	-25.5	-169.3	-65.6	-177.3	-170.4	133.8	0	114.7	D317 V318	D317-K326 PolarHBondContact O-N 2.85Å; D317-K326 WeakPolarHBondContact OD1-CE 3.3Å; D317-K326 IonicContact OD1-NZ 3.61Å; D317-K326 PolarHBondContact OD1-NZ 2.97Å; V318-K326 WeakPolarHBondContact O-CE 3.48Å; V318-K326 PolarHBondContact O-NZ 3.49Å
327	R	98.7	Very high	98.9	Very high	118 Å²	118	33.7 Å²	33.7	45%	0.445	16%	0.162	S	C	.	.	S	Bend	trans	-113.5	-14.1	-175	-64	164.6	-78.6	145.3	0.1	114.3	P308 A310 D317 H325	P308-R327 VanDerWaalsContact O-CZ 3.31Å; P308-R327 PolarHBondContact O-NH1 2.81Å; P308-R327 PolarHBondContact O-NH2 3Å; A310-R327 PolarHBondContact O-NH2 2.92Å; D317-R327 IonicContact OD2-CZ 2.98Å; D317-R327 IonicContact OD2-NE 3.86Å; D317-R327 IonicContact OD2-NH2 2.83Å; H325-R327 PolarHBondContact ND1-N 3.46Å; H325-R327 PolarHBondContact NE2-NH2 2.8Å; H325-R327 PolarHBondContact O-N 3.34Å; H325-R327 VanDerWaalsContact O-N 3.11Å
328	Y	98.9	Very high	98.9	Very high	35 Å²	35	32.9 Å²	32.9	14%	0.137	16%	0.158	C	C	.	.			trans	-132.4	97.3	-174.1	-61.1	-57.2	0	0	0	109	P123 D124 P308 V309 H325 N330 V331	P123-Y328 HydrophobicContact CB-CD1 4.06Å; P123-Y328 HydrophobicContact CB-CD2 3.56Å; P123-Y328 HydrophobicContact CB-CE1 4.08Å; P123-Y328 HydrophobicContact CB-CE2 3.66Å; P123-Y328 HydrophobicContact CB-CG 3.82Å; P123-Y328 HydrophobicContact CG-CD1 4.5Å; P123-Y328 HydrophobicContact CG-CD2 3.69Å; P123-Y328 HydrophobicContact CG-CE1 4.08Å; P123-Y328 HydrophobicContact CG-CE2 3.23Å; P123-Y328 HydrophobicContact CG-CG 4.34Å; P123-Y328 VanDerWaalsContact CG-CZ 3.44Å; D124-Y328 WeakPolarHBondContact OD1-CE1 3.47Å; D124-Y328 PolarHBondContact OD1-OH 3.29Å; D124-Y328 PolarHBondContact OD2-OH 3.49Å; P308-Y328 HydrophobicContact CB-CE2 4.23Å; V309-Y328 HydrophobicContact CG1-CD2 4.22Å; V309-Y328 HydrophobicContact CG1-CE2 4.44Å; H325-Y328 AromaticContact CE1-CD2 3.2Å; H325-Y328 WeakPolarHBondContact CE1-CD2 3.46Å; H325-Y328 AromaticContact CE1-CE2 3.74Å; H325-Y328 WeakPolarHBondContact ND1-CB 3.45Å; H325-Y328 AromaticContact ND1-CD2 3.2Å; H325-Y328 WeakPolarHBondContact ND1-CD2 3.46Å; H325-Y328 AromaticContact ND1-CG 3.66Å; H325-Y328 PolarHBondContact ND1-N 3.08Å; H325-Y328 VanDerWaalsContact ND1-N 3.14Å; H325-Y328 PolarHBondContact O-N 2.8Å; Y328-N330 PolarHBondContact O-N 3.01Å; Y328-N330 VanDerWaalsContact O-N 3.07Å; Y328-V331 HydrophobicContact CG-CG2 4.46Å; Y328-V331 PolarHBondContact O-N 2.91Å
329	P	98.6	Very high	98.8	Very high	89 Å²	89	34.6 Å²	34.6	58%	0.578	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-12.3	-164	26.3	-35.1	0	0	0	114.6	Q324	Q324-P329 PolarHBondContact NE2-O 3.37Å
330	N	98.9	Very high	98.8	Very high	26 Å²	26	32.7 Å²	32.7	14%	0.139	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	0.2	174.2	66.6	-31.1	0	0	0	114	N126 R139 Y140 L141 Y328 F332	N126-N330 PolarHBondContact OD1-ND2 3.22Å; R139-N330 WeakPolarHBondContact O-CB 3.42Å; R139-N330 PolarHBondContact O-ND2 2.89Å; Y140-N330 WeakPolarHBondContact CA-O 3.49Å; Y140-N330 HydrophobicContact CD1-CB 3.72Å; Y140-N330 HydrophobicContact CE1-CB 4.15Å; L141-N330 PolarHBondContact N-O 2.99Å; Y328-N330 PolarHBondContact O-N 3.01Å; Y328-N330 VanDerWaalsContact O-N 3.07Å; N330-F332 WeakPolarHBondContact O-CD2 3.5Å; N330-F332 WeakPolarHBondContact O-CE2 3.39Å
331	V	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141	174.8	-179.3	0	0	0	0	109.5	P123 Y138 L141 I143 V309 H325 Y328	P123-V331 HydrophobicContact CB-CG2 4.4Å; Y138-V331 HydrophobicContact CE2-CG2 4.39Å; L141-V331 HydrophobicContact CB-CG1 4.43Å; L141-V331 HydrophobicContact CB-CG2 4.2Å; L141-V331 HydrophobicContact CD2-CG1 4.19Å; L141-V331 HydrophobicContact CD2-CG2 4.37Å; L141-V331 CarbonylContact O-C 3.6Å; I143-V331 HydrophobicContact CD1-CG1 3.85Å; I143-V331 HydrophobicContact CG1-CG1 4.33Å; V309-V331 HydrophobicContact CG1-CG1 4.36Å; H325-V331 HydrophobicContact CB-CB 3.83Å; H325-V331 HydrophobicContact CB-CG1 3.97Å; H325-V331 VanDerWaalsContact CB-O 3.28Å; H325-V331 WeakPolarHBondContact CB-O 3.45Å; H325-V331 PolarHBondContact N-O 2.83Å; Y328-V331 HydrophobicContact CG-CG2 4.46Å; Y328-V331 PolarHBondContact O-N 2.91Å
332	F	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.8	-178.8	-55.1	-88.9	0	0	0	110.5	Y140 L141 I143 L323 Q324 N330 L356 T359 I360 I363	Y140-F332 HydrophobicContact CD1-CE2 4.07Å; L141-F332 PolarHBondContact O-N 3.09Å; I143-F332 PolarHBondContact N-O 2.89Å; L323-F332 WeakPolarHBondContact O-CA 3.49Å; Q324-F332 HydrophobicContact CB-CD1 3.99Å; Q324-F332 HydrophobicContact CB-CE1 3.89Å; Q324-F332 HydrophobicContact CG-CD1 4.17Å; Q324-F332 HydrophobicContact CG-CE1 3.74Å; Q324-F332 HydrophobicContact CG-CZ 4.45Å; N330-F332 WeakPolarHBondContact O-CD2 3.5Å; N330-F332 WeakPolarHBondContact O-CE2 3.39Å; F332-L356 HydrophobicContact CB-CD1 3.65Å; F332-L356 HydrophobicContact CB-CD2 4.25Å; F332-L356 HydrophobicContact CD1-CD1 3.41Å; F332-L356 VanDerWaalsContact CD1-CD1 3.41Å; F332-L356 HydrophobicContact CE1-CD1 4.33Å; F332-L356 HydrophobicContact CG-CD1 3.73Å; F332-T359 HydrophobicContact CD1-CG2 4.36Å; F332-T359 HydrophobicContact CE1-CG2 3.9Å; F332-I360 HydrophobicContact CD1-CG1 3.97Å; F332-I360 HydrophobicContact CD2-CD1 4.14Å; F332-I360 HydrophobicContact CD2-CG1 3.94Å; F332-I360 HydrophobicContact CE1-CG1 3.86Å; F332-I360 HydrophobicContact CE2-CD1 4.44Å; F332-I360 HydrophobicContact CE2-CG1 3.83Å; F332-I360 HydrophobicContact CG-CD1 4.24Å; F332-I360 HydrophobicContact CG-CG1 4.03Å; F332-I360 HydrophobicContact CZ-CG1 3.8Å; F332-I363 HydrophobicContact CE1-CG1 4.38Å; F332-I363 HydrophobicContact CZ-CB 4.28Å; F332-I363 HydrophobicContact CZ-CG1 4.29Å; F332-I363 HydrophobicContact CZ-CG2 4.17Å
333	G	98.9	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.5	178.1	0	0	0	0	0	112.5	I143 L323	I143-G333 WeakPolarHBondContact O-CA 3.47Å; L323-G333 PolarHBondContact O-N 3.19Å; L323-G333 VanDerWaalsContact O-N 3.13Å
334	I	98.9	Very high	98.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.169	C	C	.	.			trans	-142.3	139.7	176.1	-173	167.8	0	0	0	112.8	M58 I142 I143 A144 C337 T338 V349 Q352 L356	M58-I334 HydrophobicContact CG-CD1 3.81Å; M58-I334 HydrophobicContact CG-CG2 4.14Å; M58-I334 HydrophobicContact SD-CD1 3.89Å; I142-I334 HydrophobicContact CG2-CG2 4.11Å; I143-I334 PolarHBondContact O-N 3.18Å; A144-I334 HydrophobicContact CB-CG2 3.65Å; I334-C337 PolarHBondContact O-SG 3.06Å; I334-T338 VanDerWaalsContact N-CG2 3.32Å; I334-V349 HydrophobicContact CD1-CG1 4.25Å; I334-V349 HydrophobicContact CG1-CG1 4.36Å; I334-Q352 HydrophobicContact CD1-CB 4.09Å; I334-Q352 HydrophobicContact CG1-CB 3.98Å; I334-L356 HydrophobicContact CB-CD2 4.07Å; I334-L356 HydrophobicContact CD1-CD2 4.45Å
335	G	98.8	Very high	98.7	Very high	5 Å²	5	31.5 Å²	31.5	5%	0.052	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	73.9	-152.8	174.1	0	0	0	0	0	114.6	C337 T338	G335-C337 PolarHBondContact O-N 2.75Å; G335-T338 PolarHBondContact O-N 3.36Å; G335-T338 PolarHBondContact O-OG1 2.83Å
336	D	98.9	Very high	98.7	Very high	27 Å²	27	32.5 Å²	32.5	14%	0.144	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-63.1	-17.8	-160.3	-49.8	-11.2	0	0	0	114.6	G146 I147 K200 W315 K344	G146-D336 CarbonylContact O-C 3.12Å; I147-D336 HydrophobicContact CB-CB 3.84Å; I147-D336 HydrophobicContact CG2-CB 4.08Å; K200-D336 WeakPolarHBondContact CB-OD2 3.13Å; W315-D336 WeakPolarHBondContact CZ3-O 3.25Å; D336-K344 HydrophobicContact CB-CB 4.1Å; D336-K344 HydrophobicContact CB-CD 4.25Å; D336-K344 HydrophobicContact CB-CG 4.38Å; D336-K344 WeakPolarHBondContact O-CD 3.37Å; D336-K344 PolarHBondContact O-NZ 3.5Å
337	C	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-79.7	-11.5	177	56.1	0	0	0	0	114.5	I143 G146 L304 W315 V316 I334 G335	I143-C337 PolarHBondContact O-SG 2.83Å; G146-C337 WeakPolarHBondContact O-CA 3.05Å; G146-C337 WeakPolarHBondContact O-CB 3.37Å; G146-C337 PolarHBondContact O-N 3.35Å; L304-C337 HydrophobicContact CD1-CB 3.89Å; W315-C337 WeakPolarHBondContact CA-O 3.39Å; V316-C337 HydrophobicContact CG2-CB 4.32Å; V316-C337 PolarHBondContact N-O 2.81Å; I334-C337 PolarHBondContact O-SG 3.06Å; G335-C337 PolarHBondContact O-N 2.75Å
338	T	98.9	Very high	98.7	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-87.3	161.1	-176.5	62.7	0	0	0	0	113.6	V318 I334 G335 L340 K344	V318-T338 HydrophobicContact CG2-CG2 4.19Å; I334-T338 VanDerWaalsContact N-CG2 3.32Å; G335-T338 PolarHBondContact O-N 3.36Å; G335-T338 PolarHBondContact O-OG1 2.83Å; T338-L340 VanDerWaalsContact C-N 3.28Å; T338-L340 HydrophobicContact CG2-CD1 4.38Å; T338-L340 PolarHBondContact O-N 3.35Å; T338-L340 WeakPolarHBondContact OG1-CD1 3.47Å; T338-L340 VanDerWaalsContact OG1-CG 3.3Å; T338-L340 WeakPolarHBondContact OG1-CG 3.44Å; T338-K344 PolarHBondContact O-NZ 3.42Å
339	N	98.8	Very high	98.7	Very high	37 Å²	37	21 Å²	21	20%	0.198	13%	0.133	C	C	.	.			trans	-86.1	16	169.5	66.9	-1.1	0	0	0	115.1	D311 W315 V316 D317 V318 P341	D311-N339 WeakPolarHBondContact OD2-CB 3.4Å; D311-N339 PolarHBondContact OD2-ND2 2.95Å; W315-N339 HydrophobicContact CB-CB 3.87Å; V316-N339 PolarHBondContact O-N 2.81Å; V316-N339 VanDerWaalsContact O-N 3.13Å; V316-N339 PolarHBondContact O-OD1 2.75Å; D317-N339 PolarHBondContact OD1-ND2 2.87Å; V318-N339 PolarHBondContact N-OD1 2.95Å; V318-N339 VanDerWaalsContact N-OD1 3.09Å; V318-N339 PolarHBondContact O-OD1 2.84Å; N339-P341 WeakPolarHBondContact O-CD 3.25Å; N339-P341 VanDerWaalsContact O-N 3.16Å
340	L	98.8	Very high	98.7	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.042	11%	0.105	C	C	.	.			trans	-56.3	118.5	174.8	-61.5	172.4	0	0	0	110	V318 L323 T338 T342 Q352 Y373 Y395	V318-L340 HydrophobicContact CG2-CD2 3.51Å; V318-L340 HydrophobicContact CG2-CG 3.78Å; L323-L340 HydrophobicContact CD1-CD1 4.31Å; L323-L340 HydrophobicContact CD1-CD2 4.21Å; L323-L340 HydrophobicContact CD2-CD1 3.91Å; L323-L340 HydrophobicContact CG-CD1 3.88Å; L323-L340 HydrophobicContact CG-CD2 4.16Å; T338-L340 VanDerWaalsContact C-N 3.28Å; T338-L340 HydrophobicContact CG2-CD1 4.38Å; T338-L340 PolarHBondContact O-N 3.35Å; T338-L340 WeakPolarHBondContact OG1-CD1 3.47Å; T338-L340 VanDerWaalsContact OG1-CG 3.3Å; T338-L340 WeakPolarHBondContact OG1-CG 3.44Å; L340-T342 PolarHBondContact O-N 2.82Å; L340-Q352 HydrophobicContact CD1-CG 4.13Å; L340-Y373 HydrophobicContact CD1-CE1 4.24Å; L340-Y395 WeakPolarHBondContact CD2-OH 3.46Å
341	P	98.2	Very high	98.7	Very high	90 Å²	90	16 Å²	16	58%	0.584	10%	0.103	S	C	*	.	S	Bend	trans	-80.2	59.3	-169.1	32.2	-36.9	0	0	0	112.9	N339 Y395	N339-P341 WeakPolarHBondContact O-CD 3.25Å; N339-P341 VanDerWaalsContact O-N 3.16Å; P341-Y395 HydrophobicContact CG-CD1 3.94Å; P341-Y395 HydrophobicContact CG-CE1 3.66Å; P341-Y395 WeakPolarHBondContact O-CD1 3.38Å
342	T	98.3	Very high	98.7	Very high	24 Å²	24	16.2 Å²	16.2	15%	0.147	10%	0.104	C	C	.	.	S	Bend	trans	-141.9	170.2	177.8	-177	0	0	0	0	110.3	L340 K344 Y373 G375 T377 Y395	L340-T342 PolarHBondContact O-N 2.82Å; T342-K344 PolarHBondContact O-N 3.39Å; T342-K344 VanDerWaalsContact O-N 3.13Å; T342-Y373 HydrophobicContact CG2-CE1 4.21Å; T342-G375 WeakPolarHBondContact CB-O 3.5Å; T342-G375 PolarHBondContact OG1-O 3.01Å; T342-T377 WeakPolarHBondContact OG1-CG2 3.37Å; T342-Y395 HydrophobicContact CG2-CE1 3.97Å
343	S	97.3	Very high	98.7	Very high	34 Å²	34	16.2 Å²	16.2	24%	0.238	10%	0.104	C	C	.	.			trans	-64.8	117.3	179.1	-74.2	0	0	0	0	111.3	T345 T377 F393	S343-T345 PolarHBondContact O-N 2.8Å; S343-T377 PolarHBondContact O-OG1 2.83Å; S343-F393 WeakPolarHBondContact OG-CZ 3.5Å
344	K	98.7	Very high	98.7	Very high	30 Å²	30	16.7 Å²	16.7	13%	0.13	11%	0.109	C	C	.	.			trans	-59.5	98	174.5	-64.6	175.1	-172.6	-80.1	0	110.2	I147 K200 C201 W315 D336 T338 T342	I147-K344 HydrophobicContact CD1-CD 4.22Å; K200-K344 WeakPolarHBondContact CA-O 3.23Å; C201-K344 PolarHBondContact N-O 3.2Å; W315-K344 VanDerWaalsContact CE3-NZ 3.25Å; W315-K344 HydrophobicContact CZ3-CD 4.46Å; W315-K344 VanDerWaalsContact CZ3-NZ 3.32Å; D336-K344 HydrophobicContact CB-CB 4.1Å; D336-K344 HydrophobicContact CB-CD 4.25Å; D336-K344 HydrophobicContact CB-CG 4.38Å; D336-K344 WeakPolarHBondContact O-CD 3.37Å; D336-K344 PolarHBondContact O-NZ 3.5Å; T338-K344 PolarHBondContact O-NZ 3.42Å; T342-K344 PolarHBondContact O-N 3.39Å; T342-K344 VanDerWaalsContact O-N 3.13Å
345	T	98.7	Very high	98.6	Very high	9 Å²	9	17.1 Å²	17.1	6%	0.055	11%	0.111	C	C	.	.			trans	-144.8	156.8	-176.4	74.1	0	0	0	0	112.5	S343 A347 A348 V349 T377	S343-T345 PolarHBondContact O-N 2.8Å; T345-A347 PolarHBondContact O-N 3.3Å; T345-A347 PolarHBondContact OG1-N 2.76Å; T345-A348 WeakPolarHBondContact O-CB 3.5Å; T345-A348 PolarHBondContact O-N 2.75Å; T345-A348 VanDerWaalsContact O-N 3.14Å; T345-A348 PolarHBondContact OG1-N 3.43Å; T345-V349 WeakPolarHBondContact O-CG2 3.25Å; T345-V349 PolarHBondContact O-N 3.03Å; T345-T377 PolarHBondContact OG1-OG1 3.09Å
346	A	98.4	Very high	98.6	Very high	24 Å²	24	16.9 Å²	16.9	20%	0.198	11%	0.109	C	C	.	.	H	α-helix	trans	-62	-24.2	172.4	0	0	0	0	0	113.6	P84 A350 M430	P84-A346 HydrophobicContact CG-CB 4.19Å; A346-A350 PolarHBondContact O-N 3.24Å; A346-M430 WeakPolarHBondContact O-CE 3.47Å
347	A	98.6	Very high	98.6	Very high	27 Å²	27	16.6 Å²	16.6	22%	0.223	11%	0.107	C	C	.	.	H	α-helix	trans	-74	-38.6	174.2	0	0	0	0	0	111.9	T345 A350 A351 Y376	T345-A347 PolarHBondContact O-N 3.3Å; T345-A347 PolarHBondContact OG1-N 2.76Å; A347-A350 WeakPolarHBondContact O-CB 3.39Å; A347-A350 PolarHBondContact O-N 3.04Å; A347-A351 PolarHBondContact O-N 3.11Å; A347-Y376 HydrophobicContact CB-CE1 4.35Å
348	A	98.8	Very high	98.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-49.6	169.2	0	0	0	0	0	110.6	T345 A350 A351 Q352 Y376	T345-A348 WeakPolarHBondContact O-CB 3.5Å; T345-A348 PolarHBondContact O-N 2.75Å; T345-A348 VanDerWaalsContact O-N 3.14Å; T345-A348 PolarHBondContact OG1-N 3.43Å; A348-A350 PolarHBondContact O-N 3.35Å; A348-A351 PolarHBondContact O-N 2.95Å; A348-A351 VanDerWaalsContact O-N 3.09Å; A348-Q352 VanDerWaalsContact O-CB 3.25Å; A348-Q352 WeakPolarHBondContact O-CB 3.17Å; A348-Q352 WeakPolarHBondContact O-CG 3.24Å; A348-Q352 PolarHBondContact O-N 3.06Å; A348-Y376 WeakPolarHBondContact CA-O 3.36Å
349	V	98.9	Very high	98.6	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-52.3	-40.9	175	174.5	0	0	0	0	112.3	I334 T345 S353 M430	I334-V349 HydrophobicContact CD1-CG1 4.25Å; I334-V349 HydrophobicContact CG1-CG1 4.36Å; T345-V349 WeakPolarHBondContact O-CG2 3.25Å; T345-V349 PolarHBondContact O-N 3.03Å; V349-S353 WeakPolarHBondContact O-CB 3.43Å; V349-S353 PolarHBondContact O-N 3.21Å; V349-M430 HydrophobicContact CB-CE 4Å; V349-M430 HydrophobicContact CG1-CE 3.6Å
350	A	98.8	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.9	-50.3	177.1	0	0	0	0	0	112.5	A346 A347 A348 S353 G354 M430 W435 G436	A346-A350 PolarHBondContact O-N 3.24Å; A347-A350 WeakPolarHBondContact O-CB 3.39Å; A347-A350 PolarHBondContact O-N 3.04Å; A348-A350 PolarHBondContact O-N 3.35Å; A350-S353 PolarHBondContact O-N 3.31Å; A350-S353 PolarHBondContact O-OG 2.64Å; A350-G354 PolarHBondContact O-N 2.97Å; A350-M430 HydrophobicContact CB-CE 4.04Å; A350-M430 HydrophobicContact CB-SD 4.05Å; A350-W435 HydrophobicContact CB-CG 4.41Å; A350-G436 CarbonylContact O-C 3.5Å; A350-G436 WeakPolarHBondContact O-CA 3.41Å
351	A	98.8	Very high	98.6	Very high	11 Å²	11	23 Å²	23	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-47	178.2	0	0	0	0	0	112.1	A347 A348 S353 G354 I355 Y373 Y376 G436	A347-A351 PolarHBondContact O-N 3.11Å; A348-A351 PolarHBondContact O-N 2.95Å; A348-A351 VanDerWaalsContact O-N 3.09Å; A351-S353 VanDerWaalsContact C-N 3.27Å; A351-S353 PolarHBondContact O-N 2.92Å; A351-G354 CarbonylContact O-C 3.5Å; A351-G354 WeakPolarHBondContact O-CA 3.22Å; A351-G354 PolarHBondContact O-N 3.26Å; A351-I355 PolarHBondContact O-N 3.36Å; A351-Y373 HydrophobicContact CB-CE2 4.11Å; A351-Y376 HydrophobicContact CB-CD1 3.58Å; A351-Y376 HydrophobicContact CB-CE1 4.36Å; A351-Y376 HydrophobicContact CB-CG 4.42Å; A351-G436 WeakPolarHBondContact CA-O 3.46Å
352	Q	98.9	Very high	98.6	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.023	11%	0.112	C	C	.	.	H	α-helix	trans	-51.5	-44.7	173.5	-73.1	170.4	11.4	0	0	111.8	L323 I334 L340 A348 G354 I355 L356 Y373	L323-Q352 HydrophobicContact CD2-CB 3.56Å; L323-Q352 HydrophobicContact CD2-CG 3.8Å; I334-Q352 HydrophobicContact CD1-CB 4.09Å; I334-Q352 HydrophobicContact CG1-CB 3.98Å; L340-Q352 HydrophobicContact CD1-CG 4.13Å; A348-Q352 VanDerWaalsContact O-CB 3.25Å; A348-Q352 WeakPolarHBondContact O-CB 3.17Å; A348-Q352 WeakPolarHBondContact O-CG 3.24Å; A348-Q352 PolarHBondContact O-N 3.06Å; Q352-G354 PolarHBondContact O-N 2.86Å; Q352-I355 WeakPolarHBondContact O-CB 3.33Å; Q352-I355 PolarHBondContact O-N 3.13Å; Q352-L356 WeakPolarHBondContact O-CB 3.34Å; Q352-L356 PolarHBondContact O-N 2.83Å; Q352-Y373 HydrophobicContact CG-CD1 4.11Å; Q352-Y373 HydrophobicContact CG-CE1 3.53Å; Q352-Y373 HydrophobicContact CG-CE2 3.99Å; Q352-Y373 VanDerWaalsContact CG-CZ 3.46Å; Q352-Y373 PolarHBondContact NE2-OH 3.25Å; Q352-Y373 VanDerWaalsContact NE2-OH 3.15Å
353	S	98.9	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61	-33.7	177.8	81.9	0	0	0	0	112.7	T57 R61 V349 A350 A351 I355 D357	T57-S353 WeakPolarHBondContact CG2-OG 3.43Å; R61-S353 PolarHBondContact NE-OG 3.5Å; R61-S353 PolarHBondContact NH2-OG 2.96Å; V349-S353 WeakPolarHBondContact O-CB 3.43Å; V349-S353 PolarHBondContact O-N 3.21Å; A350-S353 PolarHBondContact O-N 3.31Å; A350-S353 PolarHBondContact O-OG 2.64Å; A351-S353 VanDerWaalsContact C-N 3.27Å; A351-S353 PolarHBondContact O-N 2.92Å; S353-I355 VanDerWaalsContact C-N 3.31Å; S353-D357 WeakPolarHBondContact O-CB 3.43Å; S353-D357 PolarHBondContact O-N 2.89Å; S353-D357 VanDerWaalsContact O-N 3.07Å
354	G	98.4	Very high	98.7	Very high	10 Å²	10	21.2 Å²	21.2	10%	0.103	11%	0.113	C	C	.	.	H	α-helix	trans	-80.4	-5.4	175.9	0	0	0	0	0	114.9	A350 A351 Q352 K371	A350-G354 PolarHBondContact O-N 2.97Å; A351-G354 CarbonylContact O-C 3.5Å; A351-G354 WeakPolarHBondContact O-CA 3.22Å; A351-G354 PolarHBondContact O-N 3.26Å; Q352-G354 PolarHBondContact O-N 2.86Å; G354-K371 PolarHBondContact O-NZ 2.73Å
355	I	98.8	Very high	98.6	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.051	14%	0.136	C	C	.	.	H	α-helix	trans	-93.6	-57	165.9	-58.3	-57.5	0	0	0	109	E321 L323 A351 Q352 S353 D357 R358 T359 K371 K372 Y373	E321-I355 WeakPolarHBondContact O-CG2 3.44Å; L323-I355 HydrophobicContact CD1-CG2 4.37Å; A351-I355 PolarHBondContact O-N 3.36Å; Q352-I355 WeakPolarHBondContact O-CB 3.33Å; Q352-I355 PolarHBondContact O-N 3.13Å; S353-I355 VanDerWaalsContact C-N 3.31Å; I355-D357 VanDerWaalsContact C-N 3.28Å; I355-D357 PolarHBondContact O-N 2.87Å; I355-R358 WeakPolarHBondContact O-CA 3.23Å; I355-R358 WeakPolarHBondContact O-CB 3.41Å; I355-R358 PolarHBondContact O-N 2.99Å; I355-T359 PolarHBondContact O-N 2.97Å; I355-T359 PolarHBondContact O-OG1 2.79Å; I355-K371 HydrophobicContact CD1-CD 3.76Å; I355-K371 VanDerWaalsContact CD1-CE 3.47Å; I355-K371 HydrophobicContact CD1-CG 4Å; I355-K372 WeakPolarHBondContact CD1-O 3.43Å; I355-Y373 HydrophobicContact CG1-CD2 4.23Å; I355-Y373 HydrophobicContact CG1-CG 4.37Å
356	L	98.8	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-34.7	-174.6	-178.4	57.4	0	0	0	113.2	M58 I142 L323 F332 I334 Q352 R358 T359 I360	M58-L356 HydrophobicContact CE-CB 4.09Å; M58-L356 HydrophobicContact CE-CD2 3.71Å; M58-L356 HydrophobicContact CE-CG 3.63Å; M58-L356 HydrophobicContact CG-CD2 4.38Å; M58-L356 HydrophobicContact SD-CB 4.38Å; M58-L356 HydrophobicContact SD-CD2 4.07Å; M58-L356 HydrophobicContact SD-CG 4.35Å; I142-L356 HydrophobicContact CG2-CD2 4.28Å; L323-L356 HydrophobicContact CB-CB 4.38Å; L323-L356 HydrophobicContact CB-CD1 4.07Å; L323-L356 HydrophobicContact CD2-CB 4.35Å; F332-L356 HydrophobicContact CB-CD1 3.65Å; F332-L356 HydrophobicContact CB-CD2 4.25Å; F332-L356 HydrophobicContact CD1-CD1 3.41Å; F332-L356 VanDerWaalsContact CD1-CD1 3.41Å; F332-L356 HydrophobicContact CE1-CD1 4.33Å; F332-L356 HydrophobicContact CG-CD1 3.73Å; I334-L356 HydrophobicContact CB-CD2 4.07Å; I334-L356 HydrophobicContact CD1-CD2 4.45Å; Q352-L356 WeakPolarHBondContact O-CB 3.34Å; Q352-L356 PolarHBondContact O-N 2.83Å; L356-R358 PolarHBondContact O-N 2.66Å; L356-T359 PolarHBondContact O-N 2.99Å; L356-I360 HydrophobicContact CD1-CD1 3.81Å; L356-I360 HydrophobicContact CD1-CG1 3.81Å; L356-I360 HydrophobicContact CG-CD1 3.84Å; L356-I360 HydrophobicContact CG-CG1 4.3Å; L356-I360 WeakPolarHBondContact O-CG1 3.2Å; L356-I360 PolarHBondContact O-N 2.92Å
357	D	98.8	Very high	98.6	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-50.9	-43.3	168.6	-173.4	-52.5	0	0	0	112.4	R61 K65 S353 I355 S361	R61-D357 WeakPolarHBondContact CB-OD2 3.06Å; R61-D357 WeakPolarHBondContact CD-OD2 3.43Å; R61-D357 WeakPolarHBondContact CG-OD2 3.39Å; R61-D357 IonicContact CZ-OD2 3.93Å; R61-D357 IonicContact NH1-OD2 2.69Å; R61-D357 PolarHBondContact NH1-OD2 3.22Å; K65-D357 WeakPolarHBondContact CE-O 3.41Å; K65-D357 VanDerWaalsContact CE-OD1 3.28Å; K65-D357 WeakPolarHBondContact CE-OD1 3.42Å; K65-D357 PolarHBondContact NZ-O 3.19Å; K65-D357 IonicContact NZ-OD1 3.34Å; K65-D357 PolarHBondContact NZ-OD1 2.95Å; S353-D357 WeakPolarHBondContact O-CB 3.43Å; S353-D357 PolarHBondContact O-N 2.89Å; S353-D357 VanDerWaalsContact O-N 3.07Å; I355-D357 VanDerWaalsContact C-N 3.28Å; I355-D357 PolarHBondContact O-N 2.87Å; D357-S361 WeakPolarHBondContact O-CB 3.32Å; D357-S361 PolarHBondContact O-N 2.85Å; D357-S361 PolarHBondContact O-OG 3.12Å
358	R	98.6	Very high	98.5	Very high	152 Å²	152	41.5 Å²	41.5	57%	0.574	21%	0.21	S	C	*	.	H	α-helix	trans	-81.4	-37.1	179.7	-59.4	-67.2	-72.2	-160	-4.5	111.8	I355 L356 S361 L362 K371	I355-R358 WeakPolarHBondContact O-CA 3.23Å; I355-R358 WeakPolarHBondContact O-CB 3.41Å; I355-R358 PolarHBondContact O-N 2.99Å; L356-R358 PolarHBondContact O-N 2.66Å; R358-S361 WeakPolarHBondContact O-CB 3.4Å; R358-S361 PolarHBondContact O-N 2.91Å; R358-L362 WeakPolarHBondContact O-CG 3.05Å; R358-L362 PolarHBondContact O-N 2.71Å; R358-L362 VanDerWaalsContact O-N 3.16Å; R358-K371 HydrophobicContact CG-CD 4.22Å
359	T	98.9	Very high	98.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-55.5	-57.8	172.6	-51.6	0	0	0	0	110.6	T322 Q324 F332 I355 L356 S361 L362 I363 P369	T322-T359 WeakPolarHBondContact O-CB 3.39Å; T322-T359 VanDerWaalsContact O-CG2 3.26Å; T322-T359 WeakPolarHBondContact O-CG2 3.22Å; T322-T359 PolarHBondContact O-OG1 2.81Å; Q324-T359 HydrophobicContact CB-CG2 4.29Å; F332-T359 HydrophobicContact CD1-CG2 4.36Å; F332-T359 HydrophobicContact CE1-CG2 3.9Å; I355-T359 PolarHBondContact O-N 2.97Å; I355-T359 PolarHBondContact O-OG1 2.79Å; L356-T359 PolarHBondContact O-N 2.99Å; T359-S361 VanDerWaalsContact C-N 3.27Å; T359-S361 PolarHBondContact O-N 3.41Å; T359-L362 PolarHBondContact O-N 2.71Å; T359-I363 HydrophobicContact CG2-CG1 4.39Å; T359-I363 WeakPolarHBondContact O-CG1 3.34Å; T359-I363 PolarHBondContact O-N 2.85Å; T359-P369 HydrophobicContact CG2-CB 4.03Å; T359-P369 HydrophobicContact CG2-CG 3.68Å
360	I	98.7	Very high	98.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-40.7	-180	-62.5	169.6	0	0	0	110.3	M58 M62 I142 F332 L356 L362 I363 M364	M58-I360 HydrophobicContact CE-CD1 4.06Å; M62-I360 HydrophobicContact CE-CB 4.33Å; M62-I360 HydrophobicContact CE-CD1 3.97Å; M62-I360 HydrophobicContact CE-CG2 4.43Å; M62-I360 HydrophobicContact SD-CB 4.33Å; M62-I360 HydrophobicContact SD-CD1 3.83Å; M62-I360 HydrophobicContact SD-CG2 3.84Å; I142-I360 HydrophobicContact CD1-CD1 3.62Å; I142-I360 HydrophobicContact CG1-CD1 4.05Å; F332-I360 HydrophobicContact CD1-CG1 3.97Å; F332-I360 HydrophobicContact CD2-CD1 4.14Å; F332-I360 HydrophobicContact CD2-CG1 3.94Å; F332-I360 HydrophobicContact CE1-CG1 3.86Å; F332-I360 HydrophobicContact CE2-CD1 4.44Å; F332-I360 HydrophobicContact CE2-CG1 3.83Å; F332-I360 HydrophobicContact CG-CD1 4.24Å; F332-I360 HydrophobicContact CG-CG1 4.03Å; F332-I360 HydrophobicContact CZ-CG1 3.8Å; L356-I360 HydrophobicContact CD1-CD1 3.81Å; L356-I360 HydrophobicContact CD1-CG1 3.81Å; L356-I360 HydrophobicContact CG-CD1 3.84Å; L356-I360 HydrophobicContact CG-CG1 4.3Å; L356-I360 WeakPolarHBondContact O-CG1 3.2Å; L356-I360 PolarHBondContact O-N 2.92Å; I360-L362 PolarHBondContact O-N 2.69Å; I360-L362 VanDerWaalsContact O-N 3.17Å; I360-I363 PolarHBondContact O-N 3.41Å; I360-M364 HydrophobicContact CG2-CG 4.02Å; I360-M364 HydrophobicContact CG2-SD 3.85Å; I360-M364 WeakPolarHBondContact O-CB 3.5Å; I360-M364 VanDerWaalsContact O-CG 3.22Å; I360-M364 WeakPolarHBondContact O-CG 3.21Å; I360-M364 PolarHBondContact O-N 3.12Å
361	S	98.4	Very high	98.3	Very high	27 Å²	27	53 Å²	53	19%	0.189	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-24.9	177.2	-59.2	0	0	0	0	115	K65 D357 R358 T359 K365	K65-S361 VanDerWaalsContact CE-OG 3.31Å; K65-S361 WeakPolarHBondContact CE-OG 3.37Å; K65-S361 PolarHBondContact NZ-OG 3.41Å; D357-S361 WeakPolarHBondContact O-CB 3.32Å; D357-S361 PolarHBondContact O-N 2.85Å; D357-S361 PolarHBondContact O-OG 3.12Å; R358-S361 WeakPolarHBondContact O-CB 3.4Å; R358-S361 PolarHBondContact O-N 2.91Å; T359-S361 VanDerWaalsContact C-N 3.27Å; T359-S361 PolarHBondContact O-N 3.41Å; S361-K365 WeakPolarHBondContact O-CG 3.49Å
362	L	98.5	Very high	98.3	Very high	33 Å²	33	58.4 Å²	58.4	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-92.7	-41.3	178	-67.7	168.2	0	0	0	110.4	R358 T359 I360 M364 K365 N366 Q367	R358-L362 WeakPolarHBondContact O-CG 3.05Å; R358-L362 PolarHBondContact O-N 2.71Å; R358-L362 VanDerWaalsContact O-N 3.16Å; T359-L362 PolarHBondContact O-N 2.71Å; I360-L362 PolarHBondContact O-N 2.69Å; I360-L362 VanDerWaalsContact O-N 3.17Å; L362-M364 VanDerWaalsContact C-N 3.33Å; L362-M364 PolarHBondContact O-N 3.23Å; L362-K365 CarbonylContact O-C 3.44Å; L362-K365 WeakPolarHBondContact O-CA 3.41Å; L362-K365 WeakPolarHBondContact O-CB 3.35Å; L362-K365 PolarHBondContact O-N 3Å; L362-N366 PolarHBondContact O-N 2.91Å; L362-Q367 CarbonylContact C-O 3.28Å; L362-Q367 VanDerWaalsContact C-O 3.28Å; L362-Q367 HydrophobicContact CB-CB 4.11Å; L362-Q367 WeakPolarHBondContact CB-O 3.3Å; L362-Q367 HydrophobicContact CD2-CB 4.07Å; L362-Q367 PolarHBondContact O-N 2.91Å
363	I	98.6	Very high	98.3	Very high	28 Å²	28	58.5 Å²	58.5	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-39.1	173.7	-62.3	-56.8	0	0	0	112	Y140 Q324 F332 T359 I360 K365 N366 P369	Y140-I363 HydrophobicContact CE1-CG2 4.2Å; Q324-I363 VanDerWaalsContact NE2-CD1 3.32Å; F332-I363 HydrophobicContact CE1-CG1 4.38Å; F332-I363 HydrophobicContact CZ-CB 4.28Å; F332-I363 HydrophobicContact CZ-CG1 4.29Å; F332-I363 HydrophobicContact CZ-CG2 4.17Å; T359-I363 HydrophobicContact CG2-CG1 4.39Å; T359-I363 WeakPolarHBondContact O-CG1 3.34Å; T359-I363 PolarHBondContact O-N 2.85Å; I360-I363 PolarHBondContact O-N 3.41Å; I363-K365 PolarHBondContact O-N 3Å; I363-K365 VanDerWaalsContact O-N 3.08Å; I363-N366 PolarHBondContact O-N 3.01Å; I363-P369 HydrophobicContact CD1-CG 3.85Å; I363-P369 HydrophobicContact CG1-CG 4.13Å
364	M	98.1	Very high	98.3	Very high	51 Å²	51	61.4 Å²	61.4	25%	0.251	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.6	171.6	-73.1	177.9	79.8	0	0	114.2	V66 Y140 I360 L362	V66-M364 HydrophobicContact CG1-CE 3.44Å; V66-M364 VanDerWaalsContact CG1-CE 3.44Å; V66-M364 HydrophobicContact CG1-SD 4.42Å; Y140-M364 HydrophobicContact CD2-CG 4.42Å; Y140-M364 HydrophobicContact CE2-CG 3.71Å; I360-M364 HydrophobicContact CG2-CG 4.02Å; I360-M364 HydrophobicContact CG2-SD 3.85Å; I360-M364 WeakPolarHBondContact O-CB 3.5Å; I360-M364 VanDerWaalsContact O-CG 3.22Å; I360-M364 WeakPolarHBondContact O-CG 3.21Å; I360-M364 PolarHBondContact O-N 3.12Å; L362-M364 VanDerWaalsContact C-N 3.33Å; L362-M364 PolarHBondContact O-N 3.23Å
365	K	97.9	Very high	98.3	Very high	140 Å²	140	61 Å²	61	61%	0.609	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	7.4	177.1	-61.9	-176.9	179.3	-165.9	0	112.8	S361 L362 I363 Q367	S361-K365 WeakPolarHBondContact O-CG 3.49Å; L362-K365 CarbonylContact O-C 3.44Å; L362-K365 WeakPolarHBondContact O-CA 3.41Å; L362-K365 WeakPolarHBondContact O-CB 3.35Å; L362-K365 PolarHBondContact O-N 3Å; I363-K365 PolarHBondContact O-N 3Å; I363-K365 VanDerWaalsContact O-N 3.08Å; K365-Q367 HydrophobicContact CB-CB 4.48Å; K365-Q367 HydrophobicContact CB-CG 4.03Å; K365-Q367 PolarHBondContact O-N 2.86Å
366	N	98	Very high	98.3	Very high	159 Å²	159	61 Å²	61	85%	0.85	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	36.9	-171.2	-53.8	-36.1	0	0	0	112.8	L362 I363	L362-N366 PolarHBondContact O-N 2.91Å; I363-N366 PolarHBondContact O-N 3.01Å
367	Q	98.2	Very high	98.3	Very high	100 Å²	100	61 Å²	61	47%	0.467	30%	0.304	S	S	.	.			trans	-112.7	141	-179.7	-68.4	178	-15	0	0	111.5	L362 K365	L362-Q367 CarbonylContact C-O 3.28Å; L362-Q367 VanDerWaalsContact C-O 3.28Å; L362-Q367 HydrophobicContact CB-CB 4.11Å; L362-Q367 WeakPolarHBondContact CB-O 3.3Å; L362-Q367 HydrophobicContact CD2-CB 4.07Å; L362-Q367 PolarHBondContact O-N 2.91Å; K365-Q367 HydrophobicContact CB-CB 4.48Å; K365-Q367 HydrophobicContact CB-CG 4.03Å; K365-Q367 PolarHBondContact O-N 2.86Å
368	T	97.6	Very high	98.3	Very high	117 Å²	117	60.5 Å²	60.5	72%	0.718	30%	0.302	S	S	*	.			trans	-63.2	130.8	177.8	-48.4	0	0	0	0	111.7	T370	T368-T370 PolarHBondContact O-N 3.2Å
369	P	97.6	Very high	98.3	Very high	25 Å²	25	53.4 Å²	53.4	16%	0.162	28%	0.275	C	S	.	.			trans	-62.3	124.2	173.4	-24.2	35.2	0	0	0	112.7	T322 T359 I363	T322-P369 HydrophobicContact CG2-CB 3.72Å; T322-P369 HydrophobicContact CG2-CG 4.35Å; T359-P369 HydrophobicContact CG2-CB 4.03Å; T359-P369 HydrophobicContact CG2-CG 3.68Å; I363-P369 HydrophobicContact CD1-CG 3.85Å; I363-P369 HydrophobicContact CG1-CG 4.13Å
370	T	97	Very high	98.2	Very high	118 Å²	118	54.7 Å²	54.7	72%	0.724	28%	0.284	S	S	*	.			trans	-106.3	-20.8	-177.7	53.5	0	0	0	0	114.7	T368	T368-T370 PolarHBondContact O-N 3.2Å
371	K	97.2	Very high	98.2	Very high	104 Å²	104	54.7 Å²	54.7	45%	0.452	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-92.7	116.6	-179	-168.5	-164.8	177.4	-165.7	0	109.9	G354 I355 R358	G354-K371 PolarHBondContact O-NZ 2.73Å; I355-K371 HydrophobicContact CD1-CD 3.76Å; I355-K371 VanDerWaalsContact CD1-CE 3.47Å; I355-K371 HydrophobicContact CD1-CG 4Å; R358-K371 HydrophobicContact CG-CD 4.22Å
372	K	98.6	Very high	98.2	Very high	124 Å²	124	53.4 Å²	53.4	54%	0.539	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-92.2	145.6	-177.4	-58.9	178.4	168.9	-135.3	0	112.5	E321 I355	E321-K372 HydrophobicContact CB-CB 4Å; E321-K372 HydrophobicContact CB-CG 4.05Å; E321-K372 HydrophobicContact CG-CB 4.43Å; E321-K372 HydrophobicContact CG-CD 4.49Å; E321-K372 HydrophobicContact CG-CG 4.45Å; E321-K372 CarbonylContact O-C 3.44Å; E321-K372 WeakPolarHBondContact O-CA 3.45Å; E321-K372 IonicContact OE1-NZ 2.69Å; E321-K372 PolarHBondContact OE1-NZ 2.74Å; E321-K372 VanDerWaalsContact OE2-CD 3.31Å; E321-K372 WeakPolarHBondContact OE2-CD 3.16Å; E321-K372 WeakPolarHBondContact OE2-CE 3.48Å; E321-K372 IonicContact OE2-NZ 2.93Å; E321-K372 PolarHBondContact OE2-NZ 2.64Å; I355-K372 WeakPolarHBondContact CD1-O 3.43Å
373	Y	98.8	Very high	98.3	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.027	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-77.6	131.3	164.8	-175.7	-146.9	0	0	0	109.9	E321 L323 L340 T342 A351 Q352 I355 G375 Y376 Y395	E321-Y373 WeakPolarHBondContact O-CB 3.29Å; E321-Y373 PolarHBondContact O-N 2.98Å; L323-Y373 HydrophobicContact CD1-CD1 3.94Å; L323-Y373 HydrophobicContact CD1-CG 4.26Å; L340-Y373 HydrophobicContact CD1-CE1 4.24Å; T342-Y373 HydrophobicContact CG2-CE1 4.21Å; A351-Y373 HydrophobicContact CB-CE2 4.11Å; Q352-Y373 HydrophobicContact CG-CD1 4.11Å; Q352-Y373 HydrophobicContact CG-CE1 3.53Å; Q352-Y373 HydrophobicContact CG-CE2 3.99Å; Q352-Y373 VanDerWaalsContact CG-CZ 3.46Å; Q352-Y373 PolarHBondContact NE2-OH 3.25Å; Q352-Y373 VanDerWaalsContact NE2-OH 3.15Å; I355-Y373 HydrophobicContact CG1-CD2 4.23Å; I355-Y373 HydrophobicContact CG1-CG 4.37Å; Y373-G375 VanDerWaalsContact C-N 3.31Å; Y373-G375 VanDerWaalsContact CZ-C 3.5Å; Y373-G375 VanDerWaalsContact CZ-CA 3.45Å; Y373-Y376 PolarHBondContact OH-O 2.88Å; Y373-Y395 HydrophobicContact CD1-CE2 4.01Å; Y373-Y395 AromaticContact CD1-CZ 3.81Å; Y373-Y395 VanDerWaalsContact CD1-OH 3.27Å; Y373-Y395 WeakPolarHBondContact CD1-OH 3.45Å; Y373-Y395 HydrophobicContact CE1-CE2 4.45Å; Y373-Y395 AromaticContact CE1-CZ 3.93Å; Y373-Y395 WeakPolarHBondContact CE1-OH 3.44Å
374	D	98.4	Very high	98.2	Very high	62 Å²	62	50.7 Å²	50.7	33%	0.332	26%	0.262	S	S	.	.			trans	-82.6	-6.7	176.8	54.4	-1.4	0	0	0	113.1	Y376 D394 Y395 R442	D374-Y376 VanDerWaalsContact C-N 3.3Å; D374-Y376 WeakPolarHBondContact OD1-CB 3.42Å; D374-Y376 PolarHBondContact OD1-N 3.04Å; D374-D394 WeakPolarHBondContact O-CB 3.23Å; D374-Y395 VanDerWaalsContact C-CD2 3.46Å; D374-Y395 WeakPolarHBondContact O-CD2 3.1Å; D374-Y395 PolarHBondContact O-N 2.8Å; D374-R442 IonicContact OD2-NH2 2.97Å
375	G	98.5	Very high	98.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.			trans	82.6	6.8	-171.5	0	0	0	0	0	113.6	T342 Y373 T377 Y395	T342-G375 WeakPolarHBondContact CB-O 3.5Å; T342-G375 PolarHBondContact OG1-O 3.01Å; Y373-G375 VanDerWaalsContact C-N 3.31Å; Y373-G375 VanDerWaalsContact CZ-C 3.5Å; Y373-G375 VanDerWaalsContact CZ-CA 3.45Å; G375-T377 PolarHBondContact O-N 3.42Å; G375-Y395 VanDerWaalsContact CA-CE2 3.5Å; G375-Y395 VanDerWaalsContact CA-CG 3.47Å; G375-Y395 VanDerWaalsContact N-CD2 3.34Å
376	Y	98.8	Very high	98.3	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.039	25%	0.253	C	S	.	.			trans	-48.5	130.7	-177.1	167.3	-85.4	0	0	0	111.9	A347 A348 A351 Y373 D374 S378 E392 F393 L400 P438	A347-Y376 HydrophobicContact CB-CE1 4.35Å; A348-Y376 WeakPolarHBondContact CA-O 3.36Å; A351-Y376 HydrophobicContact CB-CD1 3.58Å; A351-Y376 HydrophobicContact CB-CE1 4.36Å; A351-Y376 HydrophobicContact CB-CG 4.42Å; Y373-Y376 PolarHBondContact OH-O 2.88Å; D374-Y376 VanDerWaalsContact C-N 3.3Å; D374-Y376 WeakPolarHBondContact OD1-CB 3.42Å; D374-Y376 PolarHBondContact OD1-N 3.04Å; Y376-S378 WeakPolarHBondContact OH-CB 3.45Å; Y376-E392 HydrophobicContact CE2-CB 4.21Å; Y376-E392 HydrophobicContact CE2-CG 4.11Å; Y376-E392 WeakPolarHBondContact CE2-OE1 3.27Å; Y376-E392 PolarHBondContact OH-OE1 3.23Å; Y376-F393 WeakPolarHBondContact CA-O 3.08Å; Y376-L400 HydrophobicContact CD2-CD2 4.42Å; Y376-P438 HydrophobicContact CE1-CG 4.32Å; Y376-P438 HydrophobicContact CE2-CG 4.05Å; Y376-P438 WeakPolarHBondContact OH-CD 3.36Å; Y376-P438 VanDerWaalsContact OH-CG 3.24Å; Y376-P438 WeakPolarHBondContact OH-CG 3.46Å
377	T	98.7	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.9	174.6	-167.3	0	0	0	0	109.8	T342 S343 T345 G375 F393	T342-T377 WeakPolarHBondContact OG1-CG2 3.37Å; S343-T377 PolarHBondContact O-OG1 2.83Å; T345-T377 PolarHBondContact OG1-OG1 3.09Å; G375-T377 PolarHBondContact O-N 3.42Å; T377-F393 HydrophobicContact CG2-CD1 4.25Å; T377-F393 HydrophobicContact CG2-CD2 3.62Å; T377-F393 HydrophobicContact CG2-CE1 3.97Å; T377-F393 HydrophobicContact CG2-CE2 3.31Å; T377-F393 HydrophobicContact CG2-CG 4.09Å; T377-F393 HydrophobicContact CG2-CZ 3.51Å; T377-F393 PolarHBondContact N-O 3.12Å; T377-F393 PolarHBondContact O-N 2.94Å
378	S	98.6	Very high	98.3	Very high	11 Å²	11	40 Å²	40	8%	0.077	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.1	176.5	-176.8	0	0	0	0	112	Y376 L390 A391	Y376-S378 WeakPolarHBondContact OH-CB 3.45Å; S378-L390 WeakPolarHBondContact OG-CD1 3.35Å; S378-A391 CarbonylContact C-O 3.58Å; S378-A391 VanDerWaalsContact CA-O 3.25Å; S378-A391 WeakPolarHBondContact CA-O 3.43Å; S378-A391 PolarHBondContact OG-O 3.32Å; S378-A391 VanDerWaalsContact OG-O 3.06Å
379	C	98.3	Very high	98.4	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	95	172.1	-169	0	0	0	0	109.3	K207 F237 L381 A391	K207-C379 VanDerWaalsContact CE-SG 3.55Å; K207-C379 PolarHBondContact NZ-SG 2.94Å; F237-C379 HydrophobicContact CE2-CB 4.39Å; F237-C379 HydrophobicContact CZ-CB 4.07Å; C379-L381 PolarHBondContact O-N 2.81Å; C379-A391 HydrophobicContact CB-CB 4.35Å; C379-A391 PolarHBondContact N-O 3.03Å; C379-A391 WeakPolarHBondContact O-CB 3.41Å; C379-A391 PolarHBondContact O-N 2.88Å
380	P	98.3	Very high	98.4	Very high	30 Å²	30	33.4 Å²	33.4	20%	0.195	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	100.1	169.6	27.3	-33.6	0	0	0	108.7	K207 V382 V388 L390 K418	K207-P380 WeakPolarHBondContact CD-O 3.34Å; K207-P380 WeakPolarHBondContact CE-O 3.46Å; K207-P380 PolarHBondContact NZ-O 3.09Å; P380-V382 PolarHBondContact O-N 2.97Å; P380-V388 HydrophobicContact CB-CG1 3.8Å; P380-L390 HydrophobicContact CB-CD1 3.8Å; P380-K418 HydrophobicContact CB-CB 4.03Å; P380-K418 HydrophobicContact CB-CG 3.83Å; P380-K418 HydrophobicContact CG-CB 4.42Å; P380-K418 HydrophobicContact CG-CG 3.85Å
381	L	98.8	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	96.1	179.6	-67.7	151.2	0	0	0	108	F237 L246 C379 T383 V388 I389 A391	F237-L381 HydrophobicContact CD2-CD2 4.33Å; F237-L381 HydrophobicContact CE2-CD1 4.25Å; F237-L381 HydrophobicContact CE2-CD2 4.1Å; F237-L381 HydrophobicContact CZ-CD1 4.36Å; L246-L381 HydrophobicContact CD1-CD1 3.96Å; L246-L381 HydrophobicContact CD1-CD2 4.36Å; L246-L381 HydrophobicContact CD2-CD1 4.39Å; C379-L381 PolarHBondContact O-N 2.81Å; L381-T383 PolarHBondContact O-N 3.13Å; L381-V388 CarbonylContact O-C 3.59Å; L381-V388 VanDerWaalsContact O-CA 3.23Å; L381-V388 WeakPolarHBondContact O-CA 3.4Å; L381-I389 HydrophobicContact CB-CB 4.12Å; L381-I389 WeakPolarHBondContact CB-O 3.18Å; L381-I389 HydrophobicContact CD1-CB 4.42Å; L381-I389 HydrophobicContact CD1-CG2 4.04Å; L381-I389 PolarHBondContact N-O 3.13Å; L381-I389 PolarHBondContact O-N 3.3Å; L381-A391 HydrophobicContact CD1-CB 3.91Å
382	V	98.7	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	112.7	169.7	-171.7	0	0	0	0	108.6	L88 K207 L211 P380 G384 V388 Y415 K418	L88-V382 HydrophobicContact CD2-CG1 4.17Å; L88-V382 HydrophobicContact CD2-CG2 4.32Å; K207-V382 WeakPolarHBondContact CA-O 3.36Å; K207-V382 HydrophobicContact CB-CB 4.36Å; K207-V382 HydrophobicContact CD-CB 4.49Å; K207-V382 HydrophobicContact CD-CG2 4.42Å; K207-V382 HydrophobicContact CG-CB 4.3Å; L211-V382 HydrophobicContact CD1-CB 4.28Å; L211-V382 HydrophobicContact CD1-CG1 3.82Å; L211-V382 HydrophobicContact CD2-CG1 3.77Å; L211-V382 HydrophobicContact CG-CG1 3.89Å; P380-V382 PolarHBondContact O-N 2.97Å; V382-G384 VanDerWaalsContact CG1-O 3.32Å; V382-G384 WeakPolarHBondContact CG1-O 3.23Å; V382-V388 HydrophobicContact CB-CG2 4.29Å; V382-V388 HydrophobicContact CG2-CG2 3.83Å; V382-Y415 HydrophobicContact CG1-CD2 4.18Å; V382-Y415 HydrophobicContact CG1-CE2 3.99Å; V382-K418 HydrophobicContact CG2-CD 3.64Å; V382-K418 HydrophobicContact CG2-CG 4.47Å
383	T	98.8	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-5.4	-179.9	51	0	0	0	0	111.7	Y210 L246 I249 R253 L381 R387 I389 E410	Y210-T383 HydrophobicContact CD2-CG2 4.32Å; L246-T383 HydrophobicContact CD2-CG2 4.42Å; I249-T383 HydrophobicContact CD1-CG2 3.62Å; R253-T383 PolarHBondContact NH1-O 3.2Å; L381-T383 PolarHBondContact O-N 3.13Å; T383-R387 PolarHBondContact N-O 3.21Å; T383-R387 VanDerWaalsContact N-O 3.11Å; T383-R387 WeakPolarHBondContact OG1-CB 3.44Å; T383-R387 PolarHBondContact OG1-O 3.07Å; T383-I389 HydrophobicContact CG2-CD1 3.97Å; T383-I389 HydrophobicContact CG2-CG1 4.06Å; T383-E410 WeakPolarHBondContact CB-OE1 3.2Å; T383-E410 HydrophobicContact CG2-CG 4.48Å; T383-E410 WeakPolarHBondContact OG1-CG 3.37Å; T383-E410 PolarHBondContact OG1-OE1 2.83Å
384	G	98	Very high	98.6	Very high	5 Å²	5	18.6 Å²	18.6	5%	0.052	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	176	170.8	0	0	0	0	0	112.2	V382 N386 R387 Y415	V382-G384 VanDerWaalsContact CG1-O 3.32Å; V382-G384 WeakPolarHBondContact CG1-O 3.23Å; G384-N386 PolarHBondContact O-N 3.13Å; G384-R387 PolarHBondContact N-O 2.86Å; G384-R387 PolarHBondContact O-N 3.49Å; G384-Y415 WeakPolarHBondContact O-CD2 3.33Å; G384-Y415 WeakPolarHBondContact O-CE2 3.48Å
385	Y	98.6	Very high	98.6	Very high	60 Å²	60	18.4 Å²	18.4	24%	0.235	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-3.7	-177.2	-70.7	-81.2	0	0	0	115.9	A91 A93 L211 A214 Y415	A91-Y385 HydrophobicContact CB-CE1 4.12Å; A91-Y385 WeakPolarHBondContact O-CE1 3.27Å; A91-Y385 PolarHBondContact O-OH 2.85Å; A93-Y385 HydrophobicContact CB-CD1 4.1Å; A93-Y385 HydrophobicContact CB-CE1 4.14Å; L211-Y385 HydrophobicContact CD2-CD1 3.98Å; L211-Y385 HydrophobicContact CD2-CD2 4.17Å; L211-Y385 HydrophobicContact CD2-CE1 3.94Å; L211-Y385 HydrophobicContact CD2-CE2 4.12Å; L211-Y385 HydrophobicContact CD2-CG 4.08Å; L211-Y385 WeakPolarHBondContact O-CE2 3.42Å; L211-Y385 PolarHBondContact O-OH 2.81Å; L211-Y385 VanDerWaalsContact O-OH 3.09Å; A214-Y385 HydrophobicContact CB-CD2 3.92Å; A214-Y385 HydrophobicContact CB-CE2 4.03Å; Y385-Y415 VanDerWaalsContact O-CE1 3.3Å; Y385-Y415 WeakPolarHBondContact O-CE1 3.3Å; Y385-Y415 PolarHBondContact O-OH 2.93Å
386	N	98.3	Very high	98.5	Very high	82 Å²	82	25 Å²	25	44%	0.439	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-149.3	22.6	178.4	66.3	-6.4	0	0	0	112.1	G384 L412	G384-N386 PolarHBondContact O-N 3.13Å; N386-L412 HydrophobicContact CB-CD1 4.04Å; N386-L412 WeakPolarHBondContact O-CA 3.49Å; N386-L412 WeakPolarHBondContact O-CD1 3.39Å
387	R	98.6	Very high	98.4	Very high	83 Å²	83	26.5 Å²	26.5	31%	0.313	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.3	-177	-67.6	-58.6	-176.3	-88.6	0	113.1	T383 G384 E410	T383-R387 PolarHBondContact N-O 3.21Å; T383-R387 VanDerWaalsContact N-O 3.11Å; T383-R387 WeakPolarHBondContact OG1-CB 3.44Å; T383-R387 PolarHBondContact OG1-O 3.07Å; G384-R387 PolarHBondContact N-O 2.86Å; G384-R387 PolarHBondContact O-N 3.49Å; R387-E410 HydrophobicContact CB-CB 4.04Å; R387-E410 WeakPolarHBondContact CB-OE1 3.2Å; R387-E410 WeakPolarHBondContact CD-O 3.31Å; R387-E410 HydrophobicContact CG-CB 4.03Å
388	V	98.8	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.8	168.8	161.5	0	0	0	0	109.6	P380 L381 V382 L390 R411 M414 Y415 K418	P380-V388 HydrophobicContact CB-CG1 3.8Å; L381-V388 CarbonylContact O-C 3.59Å; L381-V388 VanDerWaalsContact O-CA 3.23Å; L381-V388 WeakPolarHBondContact O-CA 3.4Å; V382-V388 HydrophobicContact CB-CG2 4.29Å; V382-V388 HydrophobicContact CG2-CG2 3.83Å; V388-L390 HydrophobicContact CG1-CB 4.34Å; V388-R411 PolarHBondContact N-O 2.74Å; V388-R411 PolarHBondContact O-N 3.3Å; V388-M414 HydrophobicContact CB-CB 3.83Å; V388-M414 HydrophobicContact CG1-CB 3.76Å; V388-Y415 HydrophobicContact CG2-CD2 4.12Å; V388-K418 HydrophobicContact CG2-CB 4.25Å
389	I	98.8	Very high	98.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.4	155.9	-68.2	177.6	0	0	0	106.7	Y242 A245 L246 I249 L381 T383 A391 S408 E410	Y242-I389 HydrophobicContact CD1-CG2 4Å; A245-I389 HydrophobicContact CB-CD1 4.04Å; L246-I389 HydrophobicContact CD2-CD1 4.42Å; I249-I389 HydrophobicContact CD1-CD1 3.67Å; L381-I389 HydrophobicContact CB-CB 4.12Å; L381-I389 WeakPolarHBondContact CB-O 3.18Å; L381-I389 HydrophobicContact CD1-CB 4.42Å; L381-I389 HydrophobicContact CD1-CG2 4.04Å; L381-I389 PolarHBondContact N-O 3.13Å; L381-I389 PolarHBondContact O-N 3.3Å; T383-I389 HydrophobicContact CG2-CD1 3.97Å; T383-I389 HydrophobicContact CG2-CG1 4.06Å; I389-A391 PolarHBondContact O-N 3.15Å; I389-S408 VanDerWaalsContact CD1-O 3.24Å; I389-S408 WeakPolarHBondContact CD1-O 3.45Å; I389-S408 VanDerWaalsContact CG1-O 3.28Å; I389-S408 WeakPolarHBondContact CG1-O 3.28Å; I389-E410 HydrophobicContact CD1-CG 4.31Å; I389-E410 HydrophobicContact CG1-CG 4.14Å
390	L	98.8	Very high	98.4	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	88.8	-177.8	-178.6	66	0	0	0	109.7	S378 P380 V388 E392 F403 Q407 M414 M417	S378-L390 WeakPolarHBondContact OG-CD1 3.35Å; P380-L390 HydrophobicContact CB-CD1 3.8Å; V388-L390 HydrophobicContact CG1-CB 4.34Å; L390-E392 HydrophobicContact CG-CG 4.31Å; L390-E392 PolarHBondContact O-N 3Å; L390-F403 HydrophobicContact CD2-CD2 4.17Å; L390-F403 HydrophobicContact CD2-CE2 4.04Å; L390-Q407 HydrophobicContact CB-CB 4.16Å; L390-Q407 PolarHBondContact N-O 3.39Å; L390-Q407 VanDerWaalsContact N-O 3.11Å; L390-Q407 VanDerWaalsContact O-CB 3.25Å; L390-Q407 WeakPolarHBondContact O-CB 3.13Å; L390-Q407 PolarHBondContact O-NE2 3.27Å; L390-M414 HydrophobicContact CB-CB 4.25Å; L390-M414 HydrophobicContact CB-CG 4.02Å; L390-M414 HydrophobicContact CB-SD 3.91Å; L390-M414 HydrophobicContact CD2-SD 3.47Å; L390-M414 WeakPolarHBondContact CD2-SD 3.34Å; L390-M414 HydrophobicContact CG-SD 4.32Å; L390-M417 HydrophobicContact CD1-CE 3.98Å; L390-M417 HydrophobicContact CD2-CE 3.67Å; L390-M417 HydrophobicContact CG-CE 4.49Å
391	A	98.8	Very high	98.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	121.5	173.5	0	0	0	0	0	110.5	F237 Y242 S378 C379 L381 I389 F393	F237-A391 HydrophobicContact CE1-CB 3.96Å; F237-A391 HydrophobicContact CZ-CB 3.96Å; Y242-A391 HydrophobicContact CD1-CB 4.08Å; Y242-A391 HydrophobicContact CD2-CB 3.45Å; Y242-A391 VanDerWaalsContact CD2-CB 3.45Å; Y242-A391 HydrophobicContact CE1-CB 4.24Å; Y242-A391 HydrophobicContact CE2-CB 3.65Å; Y242-A391 HydrophobicContact CG-CB 3.68Å; S378-A391 CarbonylContact C-O 3.58Å; S378-A391 VanDerWaalsContact CA-O 3.25Å; S378-A391 WeakPolarHBondContact CA-O 3.43Å; S378-A391 PolarHBondContact OG-O 3.32Å; S378-A391 VanDerWaalsContact OG-O 3.06Å; C379-A391 HydrophobicContact CB-CB 4.35Å; C379-A391 PolarHBondContact N-O 3.03Å; C379-A391 WeakPolarHBondContact O-CB 3.41Å; C379-A391 PolarHBondContact O-N 2.88Å; L381-A391 HydrophobicContact CD1-CB 3.91Å; I389-A391 PolarHBondContact O-N 3.15Å; A391-F393 HydrophobicContact CB-CD1 4.47Å; A391-F393 HydrophobicContact CB-CE1 4.38Å
392	E	98.8	Very high	98.4	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.8	168.4	-72.7	177.3	105.3	0	0	108.8	Y242 Y376 L390 P399 L400 T402 Q407	Y242-E392 PolarHBondContact OH-N 2.75Å; Y242-E392 PolarHBondContact OH-O 2.74Å; Y376-E392 HydrophobicContact CE2-CB 4.21Å; Y376-E392 HydrophobicContact CE2-CG 4.11Å; Y376-E392 WeakPolarHBondContact CE2-OE1 3.27Å; Y376-E392 PolarHBondContact OH-OE1 3.23Å; L390-E392 HydrophobicContact CG-CG 4.31Å; L390-E392 PolarHBondContact O-N 3Å; E392-P399 WeakPolarHBondContact O-CA 3.49Å; E392-L400 WeakPolarHBondContact CB-O 3.49Å; E392-L400 PolarHBondContact O-N 2.7Å; E392-T402 WeakPolarHBondContact OE1-CB 3.42Å; E392-T402 PolarHBondContact OE1-OG1 2.83Å; E392-T402 WeakPolarHBondContact OE2-CB 3.36Å; E392-T402 PolarHBondContact OE2-N 2.96Å; E392-T402 PolarHBondContact OE2-OG1 2.99Å; E392-Q407 PolarHBondContact OE2-NE2 3.37Å; E392-Q407 PolarHBondContact OE2-OE1 3.43Å
393	F	98.7	Very high	98.3	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.057	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	170.1	-175	55	-84.8	0	0	0	112.3	F237 V239 Y242 S343 Y376 T377 A391 E398	F237-F393 AromaticContact CE1-CE1 3.85Å; F237-F393 HydrophobicContact CE1-CE1 3.85Å; F237-F393 HydrophobicContact CE1-CZ 4.34Å; F237-F393 AromaticContact CZ-CE1 3.81Å; F237-F393 HydrophobicContact CZ-CE1 3.81Å; F237-F393 HydrophobicContact CZ-CZ 4.2Å; V239-F393 HydrophobicContact CG2-CB 3.93Å; V239-F393 HydrophobicContact CG2-CD1 3.81Å; V239-F393 HydrophobicContact CG2-CD2 3.74Å; V239-F393 HydrophobicContact CG2-CE1 4.19Å; V239-F393 HydrophobicContact CG2-CE2 4.1Å; V239-F393 HydrophobicContact CG2-CG 3.58Å; V239-F393 HydrophobicContact CG2-CZ 4.31Å; Y242-F393 HydrophobicContact CE2-CD1 4.43Å; S343-F393 WeakPolarHBondContact OG-CZ 3.5Å; Y376-F393 WeakPolarHBondContact CA-O 3.08Å; T377-F393 HydrophobicContact CG2-CD1 4.25Å; T377-F393 HydrophobicContact CG2-CD2 3.62Å; T377-F393 HydrophobicContact CG2-CE1 3.97Å; T377-F393 HydrophobicContact CG2-CE2 3.31Å; T377-F393 HydrophobicContact CG2-CG 4.09Å; T377-F393 HydrophobicContact CG2-CZ 3.51Å; T377-F393 PolarHBondContact N-O 3.12Å; T377-F393 PolarHBondContact O-N 2.94Å; A391-F393 HydrophobicContact CB-CD1 4.47Å; A391-F393 HydrophobicContact CB-CE1 4.38Å; F393-E398 WeakPolarHBondContact CA-O 3.17Å; F393-E398 WeakPolarHBondContact CB-O 3.44Å
394	D	98.3	Very high	98.3	Very high	25 Å²	25	40 Å²	40	13%	0.134	20%	0.2	C	C	.	.			trans	-116.8	-167.7	-172	81.4	-16.8	0	0	0	113.4	D374 K396 A397 E398 L400	D374-D394 WeakPolarHBondContact O-CB 3.23Å; D394-K396 PolarHBondContact O-N 3.16Å; D394-K396 WeakPolarHBondContact OD1-CA 3.44Å; D394-K396 WeakPolarHBondContact OD1-CB 3.49Å; D394-K396 PolarHBondContact OD1-N 3.24Å; D394-A397 PolarHBondContact O-N 3.16Å; D394-A397 VanDerWaalsContact O-N 3.16Å; D394-A397 PolarHBondContact OD1-N 3.44Å; D394-E398 PolarHBondContact N-O 2.91Å; D394-E398 PolarHBondContact OD1-N 3.36Å; D394-E398 VanDerWaalsContact OD1-N 3.16Å; D394-L400 HydrophobicContact CB-CD2 3.85Å
395	Y	98.1	Very high	98.2	Very high	57 Å²	57	42.9 Å²	42.9	22%	0.224	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.4	176.5	-85.6	-42.5	0	0	0	115.6	K320 L340 P341 T342 Y373 D374 G375 A397	K320-Y395 HydrophobicContact CB-CE2 4.35Å; K320-Y395 WeakPolarHBondContact O-CE2 3.39Å; K320-Y395 PolarHBondContact O-OH 3.48Å; L340-Y395 WeakPolarHBondContact CD2-OH 3.46Å; P341-Y395 HydrophobicContact CG-CD1 3.94Å; P341-Y395 HydrophobicContact CG-CE1 3.66Å; P341-Y395 WeakPolarHBondContact O-CD1 3.38Å; T342-Y395 HydrophobicContact CG2-CE1 3.97Å; Y373-Y395 HydrophobicContact CD1-CE2 4.01Å; Y373-Y395 AromaticContact CD1-CZ 3.81Å; Y373-Y395 VanDerWaalsContact CD1-OH 3.27Å; Y373-Y395 WeakPolarHBondContact CD1-OH 3.45Å; Y373-Y395 HydrophobicContact CE1-CE2 4.45Å; Y373-Y395 AromaticContact CE1-CZ 3.93Å; Y373-Y395 WeakPolarHBondContact CE1-OH 3.44Å; D374-Y395 VanDerWaalsContact C-CD2 3.46Å; D374-Y395 WeakPolarHBondContact O-CD2 3.1Å; D374-Y395 PolarHBondContact O-N 2.8Å; G375-Y395 VanDerWaalsContact CA-CE2 3.5Å; G375-Y395 VanDerWaalsContact CA-CG 3.47Å; G375-Y395 VanDerWaalsContact N-CD2 3.34Å; Y395-A397 VanDerWaalsContact C-N 3.34Å
396	K	97.9	Very high	98.2	Very high	138 Å²	138	42.7 Å²	42.7	60%	0.6	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-3.9	177.7	-50.9	173.8	179.4	-179.7	0	112.9	D394 E398	D394-K396 PolarHBondContact O-N 3.16Å; D394-K396 WeakPolarHBondContact OD1-CA 3.44Å; D394-K396 WeakPolarHBondContact OD1-CB 3.49Å; D394-K396 PolarHBondContact OD1-N 3.24Å; K396-E398 HydrophobicContact CB-CB 4.35Å; K396-E398 HydrophobicContact CB-CG 3.94Å; K396-E398 HydrophobicContact CD-CG 3.97Å; K396-E398 WeakPolarHBondContact CD-OE1 3.39Å; K396-E398 VanDerWaalsContact CD-OE2 3.27Å; K396-E398 WeakPolarHBondContact CD-OE2 3.36Å; K396-E398 IonicContact NZ-OE1 2.65Å; K396-E398 PolarHBondContact NZ-OE1 2.98Å; K396-E398 IonicContact NZ-OE2 2.66Å; K396-E398 PolarHBondContact NZ-OE2 3.3Å; K396-E398 PolarHBondContact O-N 3.48Å
397	A	96.6	Very high	98.2	Very high	42 Å²	42	38.8 Å²	38.8	35%	0.347	19%	0.193	S	C	.	.			trans	61.2	25.4	-163.9	0	0	0	0	0	113.6	V239 D394 Y395	V239-A397 WeakPolarHBondContact CG1-O 3.18Å; V239-A397 HydrophobicContact CG2-CB 3.97Å; D394-A397 PolarHBondContact O-N 3.16Å; D394-A397 VanDerWaalsContact O-N 3.16Å; D394-A397 PolarHBondContact OD1-N 3.44Å; Y395-A397 VanDerWaalsContact C-N 3.34Å
398	E	97.8	Very high	98.2	Very high	97 Å²	97	35.3 Å²	35.3	45%	0.453	18%	0.182	S	C	.	.			trans	-83	140	171.7	-74.6	175.1	-167.5	0	0	110.3	F393 D394 K396 L400	F393-E398 WeakPolarHBondContact CA-O 3.17Å; F393-E398 WeakPolarHBondContact CB-O 3.44Å; D394-E398 PolarHBondContact N-O 2.91Å; D394-E398 PolarHBondContact OD1-N 3.36Å; D394-E398 VanDerWaalsContact OD1-N 3.16Å; K396-E398 HydrophobicContact CB-CB 4.35Å; K396-E398 HydrophobicContact CB-CG 3.94Å; K396-E398 HydrophobicContact CD-CG 3.97Å; K396-E398 WeakPolarHBondContact CD-OE1 3.39Å; K396-E398 VanDerWaalsContact CD-OE2 3.27Å; K396-E398 WeakPolarHBondContact CD-OE2 3.36Å; K396-E398 IonicContact NZ-OE1 2.65Å; K396-E398 PolarHBondContact NZ-OE1 2.98Å; K396-E398 IonicContact NZ-OE2 2.66Å; K396-E398 PolarHBondContact NZ-OE2 3.3Å; K396-E398 PolarHBondContact O-N 3.48Å; E398-L400 PolarHBondContact O-N 2.87Å
399	P	98.4	Very high	98.2	Very high	61 Å²	61	40 Å²	40	40%	0.396	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-60.4	130.8	176.4	-24.8	34.9	0	0	0	112.9	V239 K241 Y242 E392	V239-P399 HydrophobicContact CG1-CG 4.07Å; K241-P399 HydrophobicContact CB-CG 3.85Å; K241-P399 HydrophobicContact CD-CB 4.12Å; K241-P399 HydrophobicContact CD-CG 3.94Å; K241-P399 HydrophobicContact CG-CG 4.49Å; Y242-P399 HydrophobicContact CE2-CB 4.47Å; E392-P399 WeakPolarHBondContact O-CA 3.49Å
400	L	98.3	Very high	98.2	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.209	22%	0.215	C	C	.	.			trans	-131.5	53.3	-175	-163.9	56.9	0	0	0	111.6	Y376 E392 D394 E398 R442	Y376-L400 HydrophobicContact CD2-CD2 4.42Å; E392-L400 WeakPolarHBondContact CB-O 3.49Å; E392-L400 PolarHBondContact O-N 2.7Å; D394-L400 HydrophobicContact CB-CD2 3.85Å; E398-L400 PolarHBondContact O-N 2.87Å; L400-R442 VanDerWaalsContact CG-CZ 3.49Å
401	E	98.5	Very high	98.2	Very high	27 Å²	27	45.9 Å²	45.9	13%	0.126	23%	0.227	C	C	.	.			trans	-63.8	134	-170.7	-65.3	-175.3	176.9	0	0	113.1	K241 Y242 Q407 R442	K241-E401 IonicContact NZ-OE1 2.67Å; K241-E401 PolarHBondContact NZ-OE1 2.99Å; K241-E401 IonicContact NZ-OE2 3.79Å; K241-E401 PolarHBondContact NZ-OE2 3.49Å; Y242-E401 VanDerWaalsContact CE1-OE1 3.23Å; Y242-E401 WeakPolarHBondContact CE1-OE1 3.36Å; Y242-E401 VanDerWaalsContact OH-CG 3.22Å; Y242-E401 WeakPolarHBondContact OH-CG 3.31Å; Y242-E401 PolarHBondContact OH-OE1 3.11Å; E401-Q407 HydrophobicContact CB-CG 3.96Å; E401-Q407 VanDerWaalsContact CD-CB 3.48Å; E401-Q407 HydrophobicContact CG-CB 4.03Å; E401-Q407 HydrophobicContact CG-CG 3.9Å; E401-Q407 PolarHBondContact OE2-N 3.32Å; E401-R442 WeakPolarHBondContact O-CD 3.03Å
402	T	98.3	Very high	98.2	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	25%	0.25	C	C	.	.	S	Bend	trans	-76.9	-37.6	-178.6	-75.2	0	0	0	0	112.7	E392 P438 L441 F445	E392-T402 WeakPolarHBondContact OE1-CB 3.42Å; E392-T402 PolarHBondContact OE1-OG1 2.83Å; E392-T402 WeakPolarHBondContact OE2-CB 3.36Å; E392-T402 PolarHBondContact OE2-N 2.96Å; E392-T402 PolarHBondContact OE2-OG1 2.99Å; T402-P438 HydrophobicContact CG2-CB 3.85Å; T402-P438 HydrophobicContact CG2-CG 4.48Å; T402-P438 WeakPolarHBondContact OG1-CB 3.46Å; T402-P438 WeakPolarHBondContact OG1-CG 3.34Å; T402-L441 HydrophobicContact CG2-CB 4.17Å; T402-F445 WeakPolarHBondContact O-CD2 3.49Å
403	F	98.1	Very high	98.2	Very high	40 Å²	40	53.2 Å²	53.2	18%	0.175	27%	0.271	C	S	.	.	S	Bend	trans	-96.2	151.8	-172.7	-64.2	-71.3	0	0	0	112.5	L390 F405 Q407 M414 M417 F445	L390-F403 HydrophobicContact CD2-CD2 4.17Å; L390-F403 HydrophobicContact CD2-CE2 4.04Å; F403-F405 HydrophobicContact CB-CD1 4.03Å; F403-F405 HydrophobicContact CB-CD2 4.15Å; F403-F405 HydrophobicContact CB-CE1 3.6Å; F403-F405 HydrophobicContact CB-CE2 3.7Å; F403-F405 HydrophobicContact CB-CG 4.29Å; F403-F405 HydrophobicContact CB-CZ 3.4Å; F403-F405 VanDerWaalsContact CB-CZ 3.4Å; F403-F405 HydrophobicContact CD1-CE1 4.32Å; F403-F405 HydrophobicContact CD1-CZ 4.2Å; F403-F405 HydrophobicContact CD2-CE2 4.34Å; F403-F405 AromaticContact CD2-CZ 3.99Å; F403-F405 HydrophobicContact CD2-CZ 3.99Å; F403-F405 HydrophobicContact CG-CE1 4.03Å; F403-F405 HydrophobicContact CG-CE2 4.19Å; F403-F405 AromaticContact CG-CZ 3.61Å; F403-F405 HydrophobicContact CG-CZ 3.61Å; F403-F405 PolarHBondContact O-N 2.9Å; F403-Q407 VanDerWaalsContact CD2-OE1 3.29Å; F403-M414 HydrophobicContact CD2-CE 3.83Å; F403-M414 HydrophobicContact CD2-SD 3.74Å; F403-M414 HydrophobicContact CE2-CE 3.62Å; F403-M414 HydrophobicContact CE2-SD 3.8Å; F403-M414 HydrophobicContact CZ-CE 4.18Å; F403-M417 HydrophobicContact CE2-SD 3.77Å; F403-M417 HydrophobicContact CZ-SD 3.89Å; F403-F445 HydrophobicContact CD1-CD2 4.2Å; F403-F445 AromaticContact CD1-CE2 3.63Å; F403-F445 HydrophobicContact CD1-CE2 3.63Å; F403-F445 HydrophobicContact CD1-CZ 4Å; F403-F445 AromaticContact CE1-CE2 3.72Å; F403-F445 HydrophobicContact CE1-CE2 3.72Å; F403-F445 HydrophobicContact CE1-CZ 4.01Å
404	P	97	Very high	98.2	Very high	58 Å²	58	53 Å²	53	38%	0.377	27%	0.269	S	S	.	.	S	Bend	trans	-77.6	28.8	-176.8	34.5	-37.8	0	0	0	113.4	F445 M449	P404-F445 HydrophobicContact CG-CB 4.38Å; P404-F445 HydrophobicContact CG-CD1 4.39Å; P404-M449 HydrophobicContact CB-CE 4.33Å; P404-M449 HydrophobicContact CB-CG 4.44Å; P404-M449 HydrophobicContact CB-SD 3.32Å; P404-M449 WeakPolarHBondContact CB-SD 3.2Å
405	F	97.6	Very high	98.2	Very high	67 Å²	67	53 Å²	53	29%	0.294	27%	0.268	S	S	.	.	S	Bend	trans	-140.8	146.5	179.6	52.8	-110.6	0	0	0	110	F403 Q407 M414	F403-F405 HydrophobicContact CB-CD1 4.03Å; F403-F405 HydrophobicContact CB-CD2 4.15Å; F403-F405 HydrophobicContact CB-CE1 3.6Å; F403-F405 HydrophobicContact CB-CE2 3.7Å; F403-F405 HydrophobicContact CB-CG 4.29Å; F403-F405 HydrophobicContact CB-CZ 3.4Å; F403-F405 VanDerWaalsContact CB-CZ 3.4Å; F403-F405 HydrophobicContact CD1-CE1 4.32Å; F403-F405 HydrophobicContact CD1-CZ 4.2Å; F403-F405 HydrophobicContact CD2-CE2 4.34Å; F403-F405 AromaticContact CD2-CZ 3.99Å; F403-F405 HydrophobicContact CD2-CZ 3.99Å; F403-F405 HydrophobicContact CG-CE1 4.03Å; F403-F405 HydrophobicContact CG-CE2 4.19Å; F403-F405 AromaticContact CG-CZ 3.61Å; F403-F405 HydrophobicContact CG-CZ 3.61Å; F403-F405 PolarHBondContact O-N 2.9Å; F405-Q407 HydrophobicContact CD2-CG 4.38Å; F405-Q407 HydrophobicContact CE2-CG 4.34Å; F405-Q407 WeakPolarHBondContact O-CG 3.42Å; F405-Q407 PolarHBondContact O-N 3.2Å; F405-M414 HydrophobicContact CE2-CE 4.13Å; F405-M414 HydrophobicContact CE2-CG 4.46Å; F405-M414 HydrophobicContact CE2-SD 4.03Å; F405-M414 HydrophobicContact CZ-CE 3.73Å; F405-M414 HydrophobicContact CZ-SD 4.21Å
406	D	98.4	Very high	98.3	Very high	55 Å²	55	53.7 Å²	53.7	29%	0.294	28%	0.278	S	S	.	.			trans	-56.1	110.3	-178.8	172.6	26	0	0	0	112.3	K241 S408 R411	K241-D406 WeakPolarHBondContact CE-OD1 3.32Å; K241-D406 IonicContact NZ-OD1 3.56Å; K241-D406 PolarHBondContact NZ-OD1 3.38Å; D406-S408 VanDerWaalsContact C-N 3.27Å; D406-S408 PolarHBondContact O-N 3.21Å; D406-S408 VanDerWaalsContact OD1-CB 3.22Å; D406-S408 WeakPolarHBondContact OD1-CB 3.2Å; D406-S408 PolarHBondContact OD1-N 3.34Å; D406-S408 PolarHBondContact OD1-OG 2.76Å; D406-S408 PolarHBondContact OD2-OG 3.46Å; D406-R411 PolarHBondContact O-NE 3.1Å; D406-R411 PolarHBondContact O-NH2 3.02Å
407	Q	98.7	Very high	98.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.9	-177.9	-51.7	-176.1	171.6	0	0	113.5	L390 E392 E401 F403 F405 K409	L390-Q407 HydrophobicContact CB-CB 4.16Å; L390-Q407 PolarHBondContact N-O 3.39Å; L390-Q407 VanDerWaalsContact N-O 3.11Å; L390-Q407 VanDerWaalsContact O-CB 3.25Å; L390-Q407 WeakPolarHBondContact O-CB 3.13Å; L390-Q407 PolarHBondContact O-NE2 3.27Å; E392-Q407 PolarHBondContact OE2-NE2 3.37Å; E392-Q407 PolarHBondContact OE2-OE1 3.43Å; E401-Q407 HydrophobicContact CB-CG 3.96Å; E401-Q407 VanDerWaalsContact CD-CB 3.48Å; E401-Q407 HydrophobicContact CG-CB 4.03Å; E401-Q407 HydrophobicContact CG-CG 3.9Å; E401-Q407 PolarHBondContact OE2-N 3.32Å; F403-Q407 VanDerWaalsContact CD2-OE1 3.29Å; F405-Q407 HydrophobicContact CD2-CG 4.38Å; F405-Q407 HydrophobicContact CE2-CG 4.34Å; F405-Q407 WeakPolarHBondContact O-CG 3.42Å; F405-Q407 PolarHBondContact O-N 3.2Å; Q407-K409 VanDerWaalsContact C-N 3.3Å
408	S	98.5	Very high	98.4	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.07	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.3	174.6	79.9	0	0	0	0	113.5	A245 I389 D406	A245-S408 WeakPolarHBondContact CB-O 3.32Å; I389-S408 VanDerWaalsContact CD1-O 3.24Å; I389-S408 WeakPolarHBondContact CD1-O 3.45Å; I389-S408 VanDerWaalsContact CG1-O 3.28Å; I389-S408 WeakPolarHBondContact CG1-O 3.28Å; D406-S408 VanDerWaalsContact C-N 3.27Å; D406-S408 PolarHBondContact O-N 3.21Å; D406-S408 VanDerWaalsContact OD1-CB 3.22Å; D406-S408 WeakPolarHBondContact OD1-CB 3.2Å; D406-S408 PolarHBondContact OD1-N 3.34Å; D406-S408 PolarHBondContact OD1-OG 2.76Å; D406-S408 PolarHBondContact OD2-OG 3.46Å
409	K	98.6	Very high	98.3	Very high	99 Å²	99	42.2 Å²	42.2	43%	0.43	22%	0.22	S	C	.	.	S	Bend	trans	-84.7	147.4	176.9	-61	-55.6	177.5	-174.8	0	112.4	E248 Q407 R411	E248-K409 IonicContact OE1-NZ 3.71Å; E248-K409 IonicContact OE2-NZ 2.76Å; E248-K409 PolarHBondContact OE2-NZ 3.03Å; Q407-K409 VanDerWaalsContact C-N 3.3Å; K409-R411 WeakPolarHBondContact O-CG 3.48Å; K409-R411 PolarHBondContact O-N 3.44Å; K409-R411 VanDerWaalsContact O-N 3.15Å
410	E	98.6	Very high	98.3	Very high	58 Å²	58	43 Å²	43	27%	0.271	22%	0.22	S	C	.	.			trans	-62.3	109.7	178.8	-69.6	-160.9	78.9	0	0	111.8	I249 R253 T383 R387 I389	I249-E410 HydrophobicContact CD1-CG 3.9Å; R253-E410 IonicContact CZ-OE2 2.62Å; R253-E410 IonicContact NH2-OE1 2.71Å; R253-E410 PolarHBondContact NH2-OE1 3.25Å; R253-E410 IonicContact NH2-OE2 2.68Å; R253-E410 PolarHBondContact NH2-OE2 2.84Å; T383-E410 WeakPolarHBondContact CB-OE1 3.2Å; T383-E410 HydrophobicContact CG2-CG 4.48Å; T383-E410 WeakPolarHBondContact OG1-CG 3.37Å; T383-E410 PolarHBondContact OG1-OE1 2.83Å; R387-E410 HydrophobicContact CB-CB 4.04Å; R387-E410 WeakPolarHBondContact CB-OE1 3.2Å; R387-E410 WeakPolarHBondContact CD-O 3.31Å; R387-E410 HydrophobicContact CG-CB 4.03Å; I389-E410 HydrophobicContact CD1-CG 4.31Å; I389-E410 HydrophobicContact CG1-CG 4.14Å
411	R	98.8	Very high	98.3	Very high	70 Å²	70	45.4 Å²	45.4	26%	0.264	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-117.4	138.7	-174.9	-73.5	173.3	-169.8	-81.7	-1.7	113.9	V388 D406 K409 M414 Y415	V388-R411 PolarHBondContact N-O 2.74Å; V388-R411 PolarHBondContact O-N 3.3Å; D406-R411 PolarHBondContact O-NE 3.1Å; D406-R411 PolarHBondContact O-NH2 3.02Å; K409-R411 WeakPolarHBondContact O-CG 3.48Å; K409-R411 PolarHBondContact O-N 3.44Å; K409-R411 VanDerWaalsContact O-N 3.15Å; R411-M414 HydrophobicContact CB-CB 4.09Å; R411-M414 HydrophobicContact CB-CG 3.72Å; R411-Y415 PolarHBondContact O-N 3.3Å
412	L	98.7	Very high	98.3	Very high	93 Å²	93	46.1 Å²	46.1	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-70	-42.3	172.1	176.4	60.8	0	0	0	112	N386 M414 Y415 V416	N386-L412 HydrophobicContact CB-CD1 4.04Å; N386-L412 WeakPolarHBondContact O-CA 3.49Å; N386-L412 WeakPolarHBondContact O-CD1 3.39Å; L412-M414 VanDerWaalsContact C-N 3.28Å; L412-M414 PolarHBondContact O-N 2.78Å; L412-Y415 WeakPolarHBondContact O-CA 3.4Å; L412-Y415 WeakPolarHBondContact O-CB 3.28Å; L412-Y415 PolarHBondContact O-N 2.75Å; L412-V416 HydrophobicContact CD1-CG2 4.22Å; L412-V416 PolarHBondContact O-N 2.9Å
413	S	98.6	Very high	98.3	Very high	65 Å²	65	47.1 Å²	47.1	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-56.4	-43.1	177.4	49.6	0	0	0	0	111.8	Y415 V416 M417	S413-Y415 VanDerWaalsContact C-N 3.34Å; S413-Y415 PolarHBondContact O-N 2.93Å; S413-V416 PolarHBondContact O-N 2.67Å; S413-M417 WeakPolarHBondContact O-CB 3.44Å; S413-M417 PolarHBondContact O-N 2.83Å
414	M	98.7	Very high	98.3	Very high	7 Å²	7	51 Å²	51	3%	0.034	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-29.6	176.8	-56.2	-61.8	86.8	0	0	112.6	V388 L390 F403 F405 R411 L412 M417 K418	V388-M414 HydrophobicContact CB-CB 3.83Å; V388-M414 HydrophobicContact CG1-CB 3.76Å; L390-M414 HydrophobicContact CB-CB 4.25Å; L390-M414 HydrophobicContact CB-CG 4.02Å; L390-M414 HydrophobicContact CB-SD 3.91Å; L390-M414 HydrophobicContact CD2-SD 3.47Å; L390-M414 WeakPolarHBondContact CD2-SD 3.34Å; L390-M414 HydrophobicContact CG-SD 4.32Å; F403-M414 HydrophobicContact CD2-CE 3.83Å; F403-M414 HydrophobicContact CD2-SD 3.74Å; F403-M414 HydrophobicContact CE2-CE 3.62Å; F403-M414 HydrophobicContact CE2-SD 3.8Å; F403-M414 HydrophobicContact CZ-CE 4.18Å; F405-M414 HydrophobicContact CE2-CE 4.13Å; F405-M414 HydrophobicContact CE2-CG 4.46Å; F405-M414 HydrophobicContact CE2-SD 4.03Å; F405-M414 HydrophobicContact CZ-CE 3.73Å; F405-M414 HydrophobicContact CZ-SD 4.21Å; R411-M414 HydrophobicContact CB-CB 4.09Å; R411-M414 HydrophobicContact CB-CG 3.72Å; L412-M414 VanDerWaalsContact C-N 3.28Å; L412-M414 PolarHBondContact O-N 2.78Å; M414-M417 HydrophobicContact CE-SD 4.41Å; M414-K418 WeakPolarHBondContact O-CB 3.33Å; M414-K418 PolarHBondContact O-N 3.07Å
415	Y	98.8	Very high	98.4	Very high	26 Å²	26	49 Å²	49	10%	0.102	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-53.2	172.3	-179.6	-87.3	0	0	0	111.2	L88 V382 G384 Y385 V388 R411 L412 S413 M417 K418 A419	L88-Y415 HydrophobicContact CD2-CE2 4.27Å; V382-Y415 HydrophobicContact CG1-CD2 4.18Å; V382-Y415 HydrophobicContact CG1-CE2 3.99Å; G384-Y415 WeakPolarHBondContact O-CD2 3.33Å; G384-Y415 WeakPolarHBondContact O-CE2 3.48Å; Y385-Y415 VanDerWaalsContact O-CE1 3.3Å; Y385-Y415 WeakPolarHBondContact O-CE1 3.3Å; Y385-Y415 PolarHBondContact O-OH 2.93Å; V388-Y415 HydrophobicContact CG2-CD2 4.12Å; R411-Y415 PolarHBondContact O-N 3.3Å; L412-Y415 WeakPolarHBondContact O-CA 3.4Å; L412-Y415 WeakPolarHBondContact O-CB 3.28Å; L412-Y415 PolarHBondContact O-N 2.75Å; S413-Y415 VanDerWaalsContact C-N 3.34Å; S413-Y415 PolarHBondContact O-N 2.93Å; Y415-M417 VanDerWaalsContact C-N 3.27Å; Y415-M417 PolarHBondContact O-N 3.14Å; Y415-K418 CarbonylContact O-C 3.53Å; Y415-K418 PolarHBondContact O-N 3.37Å; Y415-K418 VanDerWaalsContact O-N 3.09Å; Y415-A419 HydrophobicContact CD1-CB 4.2Å; Y415-A419 HydrophobicContact CE1-CB 3.84Å; Y415-A419 WeakPolarHBondContact O-CB 3.17Å; Y415-A419 PolarHBondContact O-N 3.38Å
416	V	98.6	Very high	98.4	Very high	71 Å²	71	46 Å²	46	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-41.2	177.2	177.2	0	0	0	0	110.6	L412 S413 K418 A419 D420 L421	L412-V416 HydrophobicContact CD1-CG2 4.22Å; L412-V416 PolarHBondContact O-N 2.9Å; S413-V416 PolarHBondContact O-N 2.67Å; V416-K418 PolarHBondContact O-N 2.95Å; V416-A419 PolarHBondContact O-N 3.49Å; V416-D420 PolarHBondContact O-N 3.09Å; V416-L421 PolarHBondContact O-N 2.67Å
417	M	98.5	Very high	98.4	Very high	28 Å²	28	44.3 Å²	44.3	14%	0.138	22%	0.223	C	C	.	.	I	π-helix	trans	-56.1	-51.2	173.4	-167	-167.4	75	0	0	111.5	L390 F403 S413 M414 Y415 L421 M422	L390-M417 HydrophobicContact CD1-CE 3.98Å; L390-M417 HydrophobicContact CD2-CE 3.67Å; L390-M417 HydrophobicContact CG-CE 4.49Å; F403-M417 HydrophobicContact CE2-SD 3.77Å; F403-M417 HydrophobicContact CZ-SD 3.89Å; S413-M417 WeakPolarHBondContact O-CB 3.44Å; S413-M417 PolarHBondContact O-N 2.83Å; M414-M417 HydrophobicContact CE-SD 4.41Å; Y415-M417 VanDerWaalsContact C-N 3.27Å; Y415-M417 PolarHBondContact O-N 3.14Å; M417-L421 HydrophobicContact CG-CB 4.45Å; M417-L421 HydrophobicContact CG-CD2 4.17Å; M417-L421 PolarHBondContact O-N 2.98Å; M417-M422 HydrophobicContact CE-CG 4.49Å; M417-M422 HydrophobicContact CG-CE 3.96Å; M417-M422 HydrophobicContact CG-CG 4.34Å; M417-M422 WeakPolarHBondContact O-CB 3.22Å; M417-M422 VanDerWaalsContact O-CG 3.23Å; M417-M422 WeakPolarHBondContact O-CG 3.36Å; M417-M422 PolarHBondContact O-N 3.37Å; M417-M422 HydrophobicContact SD-CE 4.25Å
418	K	98.2	Very high	98.4	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.026	23%	0.234	C	C	.	.	I	π-helix	trans	-69.9	-31.7	-179.8	175	-90.8	164.2	-74.7	0	113.9	P84 L88 P380 V382 V388 M414 Y415 V416	P84-K418 PolarHBondContact O-NZ 2.83Å; L88-K418 HydrophobicContact CD1-CD 4.17Å; P380-K418 HydrophobicContact CB-CB 4.03Å; P380-K418 HydrophobicContact CB-CG 3.83Å; P380-K418 HydrophobicContact CG-CB 4.42Å; P380-K418 HydrophobicContact CG-CG 3.85Å; V382-K418 HydrophobicContact CG2-CD 3.64Å; V382-K418 HydrophobicContact CG2-CG 4.47Å; V388-K418 HydrophobicContact CG2-CB 4.25Å; M414-K418 WeakPolarHBondContact O-CB 3.33Å; M414-K418 PolarHBondContact O-N 3.07Å; Y415-K418 CarbonylContact O-C 3.53Å; Y415-K418 PolarHBondContact O-N 3.37Å; Y415-K418 VanDerWaalsContact O-N 3.09Å; V416-K418 PolarHBondContact O-N 2.95Å
419	A	97.3	Very high	98.4	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	25%	0.247	C	C	.	.	I	π-helix	trans	-87.9	-32.2	-170.9	0	0	0	0	0	112.8	L88 K94 Y415 V416 P423	L88-A419 HydrophobicContact CD1-CB 3.83Å; K94-A419 VanDerWaalsContact CE-O 3.27Å; K94-A419 WeakPolarHBondContact CE-O 3.37Å; Y415-A419 HydrophobicContact CD1-CB 4.2Å; Y415-A419 HydrophobicContact CE1-CB 3.84Å; Y415-A419 WeakPolarHBondContact O-CB 3.17Å; Y415-A419 PolarHBondContact O-N 3.38Å; V416-A419 PolarHBondContact O-N 3.49Å; A419-P423 WeakPolarHBondContact O-CG 3.38Å
420	D	97.3	Very high	98.4	Very high	77 Å²	77	44.9 Å²	44.9	41%	0.412	23%	0.228	S	C	.	.	I	π-helix	trans	-130.1	-48	-167.1	-54.3	-64.8	0	0	0	112.8	K94 V416 P423	K94-D420 IonicContact NZ-OD1 2.69Å; K94-D420 PolarHBondContact NZ-OD1 2.95Å; V416-D420 PolarHBondContact O-N 3.09Å; D420-P423 WeakPolarHBondContact O-CD 3.26Å
421	L	98.3	Very high	98.5	Very high	91 Å²	91	42.4 Å²	42.4	48%	0.476	22%	0.217	S	C	.	.	I	π-helix	trans	-72.8	-45.7	-179.4	-174.4	62.9	0	0	0	113.1	V416 M417 F424 L425	V416-L421 PolarHBondContact O-N 2.67Å; M417-L421 HydrophobicContact CG-CB 4.45Å; M417-L421 HydrophobicContact CG-CD2 4.17Å; M417-L421 PolarHBondContact O-N 2.98Å; L421-F424 WeakPolarHBondContact O-CB 3.36Å; L421-F424 PolarHBondContact O-N 2.69Å; L421-F424 VanDerWaalsContact O-N 3.16Å; L421-L425 WeakPolarHBondContact O-CB 3.49Å; L421-L425 PolarHBondContact O-N 3.3Å
422	M	98.3	Very high	98.4	Very high	43 Å²	43	46 Å²	46	21%	0.212	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-39.2	-177.9	-72	-65.1	109.9	0	0	113.8	Y82 M417 L425 Y426	Y82-M422 WeakPolarHBondContact OH-CB 3.49Å; M417-M422 HydrophobicContact CE-CG 4.49Å; M417-M422 HydrophobicContact CG-CE 3.96Å; M417-M422 HydrophobicContact CG-CG 4.34Å; M417-M422 WeakPolarHBondContact O-CB 3.22Å; M417-M422 VanDerWaalsContact O-CG 3.23Å; M417-M422 WeakPolarHBondContact O-CG 3.36Å; M417-M422 PolarHBondContact O-N 3.37Å; M417-M422 HydrophobicContact SD-CE 4.25Å; M422-L425 HydrophobicContact CE-CD1 4Å; M422-Y426 VanDerWaalsContact O-CB 3.23Å; M422-Y426 WeakPolarHBondContact O-CB 3.42Å; M422-Y426 PolarHBondContact O-N 3.07Å
423	P	98.4	Very high	98.4	Very high	23 Å²	23	41.6 Å²	41.6	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-46.7	167.8	-23.7	29.4	0	0	0	113.4	Y82 I85 A419 D420 Y426 W427	Y82-P423 HydrophobicContact CD1-CB 4.25Å; Y82-P423 HydrophobicContact CD1-CG 4.34Å; Y82-P423 HydrophobicContact CE1-CB 4.1Å; Y82-P423 HydrophobicContact CE1-CG 3.79Å; I85-P423 HydrophobicContact CD1-CG 4.04Å; A419-P423 WeakPolarHBondContact O-CG 3.38Å; D420-P423 WeakPolarHBondContact O-CD 3.26Å; P423-Y426 PolarHBondContact O-N 3.08Å; P423-W427 PolarHBondContact O-N 2.93Å
424	F	98.5	Very high	98.4	Very high	121 Å²	121	45.8 Å²	45.8	53%	0.531	22%	0.215	S	C	.	.	H	α-helix	trans	-62.2	-49.5	179	174.2	-86.7	0	0	0	111.4	L421 Y426 W427 N428	L421-F424 WeakPolarHBondContact O-CB 3.36Å; L421-F424 PolarHBondContact O-N 2.69Å; L421-F424 VanDerWaalsContact O-N 3.16Å; F424-Y426 VanDerWaalsContact C-N 3.3Å; F424-Y426 PolarHBondContact O-N 2.78Å; F424-W427 PolarHBondContact O-N 3.03Å; F424-N428 WeakPolarHBondContact CD2-ND2 3.36Å; F424-N428 HydrophobicContact CE1-CB 4.47Å; F424-N428 WeakPolarHBondContact CE2-ND2 3.43Å; F424-N428 HydrophobicContact CZ-CB 4.41Å; F424-N428 VanDerWaalsContact O-CB 3.31Å; F424-N428 WeakPolarHBondContact O-CB 3.48Å; F424-N428 PolarHBondContact O-N 3.28Å; F424-N428 PolarHBondContact O-ND2 2.97Å
425	L	98.4	Very high	98.4	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-37.5	179.3	-179.1	150.4	0	0	0	111.6	L421 M422 M429 M430 W435	L421-L425 WeakPolarHBondContact O-CB 3.49Å; L421-L425 PolarHBondContact O-N 3.3Å; M422-L425 HydrophobicContact CE-CD1 4Å; L425-M429 HydrophobicContact CD1-SD 4.13Å; L425-M429 HydrophobicContact CG-CB 4.34Å; L425-M429 HydrophobicContact CG-SD 3.95Å; L425-M429 WeakPolarHBondContact O-CA 3.41Å; L425-M429 VanDerWaalsContact O-CB 3.32Å; L425-M429 WeakPolarHBondContact O-CB 3.4Å; L425-M429 PolarHBondContact O-N 3.16Å; L425-M430 PolarHBondContact O-N 3.47Å; L425-W435 HydrophobicContact CD1-CD2 4.28Å; L425-W435 HydrophobicContact CD1-CE3 4.22Å; L425-W435 HydrophobicContact CD1-CH2 4.45Å; L425-W435 HydrophobicContact CD1-CZ3 4.32Å; L425-W435 HydrophobicContact CD2-CB 4.24Å; L425-W435 HydrophobicContact CD2-CD2 3.84Å; L425-W435 HydrophobicContact CD2-CG 3.68Å
426	Y	98.8	Very high	98.3	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.02	23%	0.231	C	C	.	.	I	π-helix	trans	-59.9	-58.2	175.9	-179.3	-97.2	0	0	0	111.7	S53 H80 Y82 M422 P423 F424 N428 M430 L431	S53-Y426 WeakPolarHBondContact CB-OH 3.38Å; S53-Y426 PolarHBondContact OG-OH 3.25Å; H80-Y426 AromaticContact NE2-CE1 3.66Å; H80-Y426 AromaticContact NE2-CZ 3.58Å; H80-Y426 PolarHBondContact NE2-OH 3.17Å; Y82-Y426 AromaticContact CD2-CD1 3.4Å; Y82-Y426 HydrophobicContact CD2-CD1 3.4Å; Y82-Y426 VanDerWaalsContact CD2-CD1 3.4Å; Y82-Y426 AromaticContact CD2-CD2 3.47Å; Y82-Y426 HydrophobicContact CD2-CD2 3.47Å; Y82-Y426 VanDerWaalsContact CD2-CD2 3.47Å; Y82-Y426 AromaticContact CD2-CE1 3.73Å; Y82-Y426 HydrophobicContact CD2-CE1 3.73Å; Y82-Y426 AromaticContact CD2-CE2 3.78Å; Y82-Y426 HydrophobicContact CD2-CE2 3.78Å; Y82-Y426 AromaticContact CD2-CG 3.25Å; Y82-Y426 HydrophobicContact CD2-CG 3.25Å; Y82-Y426 AromaticContact CD2-CZ 3.89Å; Y82-Y426 HydrophobicContact CE2-CD1 4.26Å; Y82-Y426 AromaticContact CE2-CD2 3.7Å; Y82-Y426 HydrophobicContact CE2-CD2 3.7Å; Y82-Y426 HydrophobicContact CE2-CE2 4.29Å; Y82-Y426 AromaticContact CE2-CG 3.65Å; Y82-Y426 HydrophobicContact CE2-CG 3.65Å; Y82-Y426 AromaticContact CG-CD1 3.85Å; Y82-Y426 HydrophobicContact CG-CD1 3.85Å; Y82-Y426 HydrophobicContact CG-CE1 4.17Å; Y82-Y426 HydrophobicContact CG-CG 4.09Å; M422-Y426 VanDerWaalsContact O-CB 3.23Å; M422-Y426 WeakPolarHBondContact O-CB 3.42Å; M422-Y426 PolarHBondContact O-N 3.07Å; P423-Y426 PolarHBondContact O-N 3.08Å; F424-Y426 VanDerWaalsContact C-N 3.3Å; F424-Y426 PolarHBondContact O-N 2.78Å; Y426-N428 PolarHBondContact O-N 2.59Å; Y426-M430 HydrophobicContact CD2-CB 4.4Å; Y426-M430 HydrophobicContact CD2-CG 4.5Å; Y426-M430 HydrophobicContact CD2-SD 3.69Å; Y426-M430 HydrophobicContact CE2-SD 4Å; Y426-M430 WeakPolarHBondContact O-CB 3.38Å; Y426-M430 PolarHBondContact O-N 3.3Å; Y426-L431 HydrophobicContact CD1-CD1 4.36Å; Y426-L431 HydrophobicContact CD1-CG 4.28Å; Y426-L431 HydrophobicContact CE1-CD1 3.86Å; Y426-L431 HydrophobicContact CE1-CD2 4.04Å; Y426-L431 HydrophobicContact CE1-CG 3.98Å; Y426-L431 HydrophobicContact CE2-CD2 4.19Å; Y426-L431 PolarHBondContact O-N 3.34Å
427	W	98.8	Very high	98.2	Very high	18 Å²	18	44.6 Å²	44.6	7%	0.068	21%	0.214	C	C	.	.	I	π-helix	trans	-66.6	-37.5	-176.7	-64.8	121.2	0	0	0	113.3	H80 S99 R101 V106 P423 F424 L431	H80-W427 AromaticContact CD2-CH2 3.81Å; H80-W427 AromaticContact CD2-CZ3 3.52Å; S99-W427 WeakPolarHBondContact O-CZ2 3.44Å; R101-W427 HydrophobicContact CB-CH2 4.2Å; R101-W427 HydrophobicContact CB-CZ3 4.13Å; R101-W427 HydrophobicContact CG-CD2 4.44Å; R101-W427 HydrophobicContact CG-CE3 4.17Å; R101-W427 HydrophobicContact CG-CH2 3.85Å; R101-W427 HydrophobicContact CG-CZ2 4.11Å; R101-W427 HydrophobicContact CG-CZ3 3.88Å; V106-W427 HydrophobicContact CG1-CE3 4.09Å; V106-W427 HydrophobicContact CG1-CZ3 3.95Å; P423-W427 PolarHBondContact O-N 2.93Å; F424-W427 PolarHBondContact O-N 3.03Å; W427-L431 HydrophobicContact CE3-CD1 3.6Å; W427-L431 HydrophobicContact CZ3-CD1 3.79Å
428	N	98.6	Very high	98.1	Very high	42 Å²	42	43.8 Å²	43.8	23%	0.225	21%	0.211	C	C	.	.	I	π-helix	trans	-102.4	-17.3	-168.2	-59.4	-39.8	0	0	0	114.3	F424 Y426 R432	F424-N428 WeakPolarHBondContact CD2-ND2 3.36Å; F424-N428 HydrophobicContact CE1-CB 4.47Å; F424-N428 WeakPolarHBondContact CE2-ND2 3.43Å; F424-N428 HydrophobicContact CZ-CB 4.41Å; F424-N428 VanDerWaalsContact O-CB 3.31Å; F424-N428 WeakPolarHBondContact O-CB 3.48Å; F424-N428 PolarHBondContact O-N 3.28Å; F424-N428 PolarHBondContact O-ND2 2.97Å; Y426-N428 PolarHBondContact O-N 2.59Å; N428-R432 WeakPolarHBondContact O-CD 3.15Å
429	M	98.6	Very high	98	Very high	73 Å²	73	45.4 Å²	45.4	36%	0.36	23%	0.225	S	C	.	.	I	π-helix	trans	-123.1	-48.2	177.6	-56.2	177.1	69.9	0	0	112.9	L425 R432 G433 Y434 W435	L425-M429 HydrophobicContact CD1-SD 4.13Å; L425-M429 HydrophobicContact CG-CB 4.34Å; L425-M429 HydrophobicContact CG-SD 3.95Å; L425-M429 WeakPolarHBondContact O-CA 3.41Å; L425-M429 VanDerWaalsContact O-CB 3.32Å; L425-M429 WeakPolarHBondContact O-CB 3.4Å; L425-M429 PolarHBondContact O-N 3.16Å; M429-R432 CarbonylContact O-C 3.59Å; M429-R432 PolarHBondContact O-N 3.31Å; M429-G433 PolarHBondContact O-N 3.25Å; M429-Y434 PolarHBondContact O-N 3.3Å; M429-W435 HydrophobicContact CB-CB 4.35Å; M429-W435 PolarHBondContact O-N 2.82Å
430	M	98.8	Very high	97.9	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.03	26%	0.256	C	S	.	.	I	π-helix	trans	-68.3	-54.9	-174.8	-173.3	176.9	166.9	0	0	112.1	T57 A346 V349 A350 L425 Y426 R432 G433 W435	T57-M430 HydrophobicContact CG2-CG 4.43Å; T57-M430 WeakPolarHBondContact CG2-O 3.38Å; T57-M430 PolarHBondContact OG1-O 2.82Å; A346-M430 WeakPolarHBondContact O-CE 3.47Å; V349-M430 HydrophobicContact CB-CE 4Å; V349-M430 HydrophobicContact CG1-CE 3.6Å; A350-M430 HydrophobicContact CB-CE 4.04Å; A350-M430 HydrophobicContact CB-SD 4.05Å; L425-M430 PolarHBondContact O-N 3.47Å; Y426-M430 HydrophobicContact CD2-CB 4.4Å; Y426-M430 HydrophobicContact CD2-CG 4.5Å; Y426-M430 HydrophobicContact CD2-SD 3.69Å; Y426-M430 HydrophobicContact CE2-SD 4Å; Y426-M430 WeakPolarHBondContact O-CB 3.38Å; Y426-M430 PolarHBondContact O-N 3.3Å; M430-R432 PolarHBondContact O-N 2.75Å; M430-R432 VanDerWaalsContact O-N 3.15Å; M430-G433 WeakPolarHBondContact O-CA 3.38Å; M430-G433 PolarHBondContact O-N 3.03Å; M430-W435 HydrophobicContact CB-CB 3.93Å; M430-W435 HydrophobicContact CG-CB 4.36Å
431	L	98.8	Very high	97.8	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.037	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.9	178	-62.7	-165.8	0	0	0	113.1	I56 A60 V106 Y426 W427 G433	I56-L431 HydrophobicContact CB-CD2 4.14Å; I56-L431 HydrophobicContact CG2-CB 3.85Å; I56-L431 HydrophobicContact CG2-CD1 4.33Å; I56-L431 HydrophobicContact CG2-CD2 4.02Å; I56-L431 HydrophobicContact CG2-CG 4.28Å; A60-L431 VanDerWaalsContact CB-O 3.25Å; A60-L431 WeakPolarHBondContact CB-O 3.27Å; V106-L431 HydrophobicContact CB-CD1 4.01Å; V106-L431 HydrophobicContact CG1-CD1 3.99Å; Y426-L431 HydrophobicContact CD1-CD1 4.36Å; Y426-L431 HydrophobicContact CD1-CG 4.28Å; Y426-L431 HydrophobicContact CE1-CD1 3.86Å; Y426-L431 HydrophobicContact CE1-CD2 4.04Å; Y426-L431 HydrophobicContact CE1-CG 3.98Å; Y426-L431 HydrophobicContact CE2-CD2 4.19Å; Y426-L431 PolarHBondContact O-N 3.34Å; W427-L431 HydrophobicContact CE3-CD1 3.6Å; W427-L431 HydrophobicContact CZ3-CD1 3.79Å; L431-G433 VanDerWaalsContact C-N 3.27Å
432	R	98.6	Very high	97.7	Very high	145 Å²	145	48.7 Å²	48.7	55%	0.547	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	4.5	171.1	-61.3	-168.1	-178.1	170	-6	113.4	R64 N428 M429 M430 Y434	R64-R432 PolarHBondContact NH1-O 2.73Å; N428-R432 WeakPolarHBondContact O-CD 3.15Å; M429-R432 CarbonylContact O-C 3.59Å; M429-R432 PolarHBondContact O-N 3.31Å; M430-R432 PolarHBondContact O-N 2.75Å; M430-R432 VanDerWaalsContact O-N 3.15Å; R432-Y434 VanDerWaalsContact C-N 3.32Å; R432-Y434 HydrophobicContact CB-CD2 3.59Å; R432-Y434 HydrophobicContact CB-CE2 3.85Å; R432-Y434 WeakPolarHBondContact O-CD2 3.35Å; R432-Y434 WeakPolarHBondContact O-CE2 3.45Å; R432-Y434 PolarHBondContact O-N 2.85Å
433	G	98.2	Very high	97.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	20.1	177.3	0	0	0	0	0	114.8	R61 R64 M429 M430 L431	R61-G433 PolarHBondContact NH1-O 3.38Å; R61-G433 PolarHBondContact NH2-O 2.97Å; R64-G433 PolarHBondContact NH2-O 3.03Å; M429-G433 PolarHBondContact O-N 3.25Å; M430-G433 WeakPolarHBondContact O-CA 3.38Å; M430-G433 PolarHBondContact O-N 3.03Å; L431-G433 VanDerWaalsContact C-N 3.27Å
434	Y	98.6	Very high	97.3	Very high	152 Å²	152	58 Å²	58	60%	0.596	28%	0.28	S	S	*	.			trans	-102.2	-10.9	-180	-63.9	-65.9	0	0	0	113.8	M429 R432	M429-Y434 PolarHBondContact O-N 3.3Å; R432-Y434 VanDerWaalsContact C-N 3.32Å; R432-Y434 HydrophobicContact CB-CD2 3.59Å; R432-Y434 HydrophobicContact CB-CE2 3.85Å; R432-Y434 WeakPolarHBondContact O-CD2 3.35Å; R432-Y434 WeakPolarHBondContact O-CE2 3.45Å; R432-Y434 PolarHBondContact O-N 2.85Å
435	W	98.4	Very high	96.9	Very high	41 Å²	41	56.1 Å²	56.1	16%	0.155	27%	0.272	C	S	.	.			trans	-97	131.8	172.1	-173.1	-126	0	0	0	111.4	R61 A350 L425 M429 M430 P438 L441	R61-W435 PolarHBondContact NH2-O 3.23Å; A350-W435 HydrophobicContact CB-CG 4.41Å; L425-W435 HydrophobicContact CD1-CD2 4.28Å; L425-W435 HydrophobicContact CD1-CE3 4.22Å; L425-W435 HydrophobicContact CD1-CH2 4.45Å; L425-W435 HydrophobicContact CD1-CZ3 4.32Å; L425-W435 HydrophobicContact CD2-CB 4.24Å; L425-W435 HydrophobicContact CD2-CD2 3.84Å; L425-W435 HydrophobicContact CD2-CG 3.68Å; M429-W435 HydrophobicContact CB-CB 4.35Å; M429-W435 PolarHBondContact O-N 2.82Å; M430-W435 HydrophobicContact CB-CB 3.93Å; M430-W435 HydrophobicContact CG-CB 4.36Å; W435-P438 HydrophobicContact CH2-CB 3.91Å; W435-P438 HydrophobicContact CZ2-CB 3.99Å; W435-L441 HydrophobicContact CH2-CD1 4.01Å; W435-L441 HydrophobicContact CZ3-CD1 4.43Å
436	G	96.7	Very high	96.4	Very high	31 Å²	31	59.5 Å²	59.5	32%	0.32	29%	0.287	S	S	.	.			trans	-127.9	26.3	-177	0	0	0	0	0	113.5	A350 A351	A350-G436 CarbonylContact O-C 3.5Å; A350-G436 WeakPolarHBondContact O-CA 3.41Å; A351-G436 WeakPolarHBondContact CA-O 3.46Å
437	G	96	Very high	95.4	Very high	7 Å²	7	65.1 Å²	65.1	7%	0.072	32%	0.316	C	S	.	.			trans	76.9	165.5	-167	0	0	0	0	0	113.2	A439	G437-A439 VanDerWaalsContact C-N 3.3Å; G437-A439 PolarHBondContact O-N 3.48Å
438	P	97.6	Very high	93.6	Very high	11 Å²	11	67.6 Å²	67.6	7%	0.071	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	8.8	-170.7	34.6	-36.8	0	0	0	114.9	Y376 T402 W435 I440 L441 R442	Y376-P438 HydrophobicContact CE1-CG 4.32Å; Y376-P438 HydrophobicContact CE2-CG 4.05Å; Y376-P438 WeakPolarHBondContact OH-CD 3.36Å; Y376-P438 VanDerWaalsContact OH-CG 3.24Å; Y376-P438 WeakPolarHBondContact OH-CG 3.46Å; T402-P438 HydrophobicContact CG2-CB 3.85Å; T402-P438 HydrophobicContact CG2-CG 4.48Å; T402-P438 WeakPolarHBondContact OG1-CB 3.46Å; T402-P438 WeakPolarHBondContact OG1-CG 3.34Å; W435-P438 HydrophobicContact CH2-CB 3.91Å; W435-P438 HydrophobicContact CZ2-CB 3.99Å; P438-I440 PolarHBondContact O-N 3.43Å; P438-L441 HydrophobicContact CB-CD1 4.45Å; P438-L441 WeakPolarHBondContact O-CA 3.39Å; P438-L441 WeakPolarHBondContact O-CB 3.44Å; P438-L441 PolarHBondContact O-N 2.79Å; P438-R442 PolarHBondContact O-N 3Å
439	A	96.2	Very high	91.7	Very high	40 Å²	40	71.4 Å²	71.4	33%	0.331	37%	0.366	S	S	.	.	H	α-helix	trans	-56.1	-25.7	-173.8	0	0	0	0	0	114.7	G437 K443	G437-A439 VanDerWaalsContact C-N 3.3Å; G437-A439 PolarHBondContact O-N 3.48Å; A439-K443 WeakPolarHBondContact O-CG 3.46Å; A439-K443 PolarHBondContact O-N 3.08Å
440	I	93.9	Very high	89.3	Confident	131 Å²	131	75.3 Å²	75.3	67%	0.672	40%	0.4	S	S	*	.	H	α-helix	trans	-73	-46.2	172.3	-60.3	176	0	0	0	110.8	P438 R442 K443 L444	P438-I440 PolarHBondContact O-N 3.43Å; I440-R442 VanDerWaalsContact C-N 3.34Å; I440-R442 PolarHBondContact O-N 3.22Å; I440-K443 PolarHBondContact O-N 2.92Å; I440-L444 HydrophobicContact CG2-CD1 4.04Å; I440-L444 WeakPolarHBondContact O-CG 3.46Å; I440-L444 PolarHBondContact O-N 3.11Å
441	L	95.3	Very high	88.8	Confident	71 Å²	71	78.8 Å²	78.8	37%	0.372	42%	0.419	S	S	.	.	H	α-helix	trans	-61.2	-43.9	176.3	-57.4	179	0	0	0	111.1	T402 W435 P438 K443 L444 F445	T402-L441 HydrophobicContact CG2-CB 4.17Å; W435-L441 HydrophobicContact CH2-CD1 4.01Å; W435-L441 HydrophobicContact CZ3-CD1 4.43Å; P438-L441 HydrophobicContact CB-CD1 4.45Å; P438-L441 WeakPolarHBondContact O-CA 3.39Å; P438-L441 WeakPolarHBondContact O-CB 3.44Å; P438-L441 PolarHBondContact O-N 2.79Å; L441-K443 VanDerWaalsContact C-N 3.31Å; L441-K443 PolarHBondContact O-N 3.4Å; L441-L444 PolarHBondContact O-N 2.96Å; L441-L444 VanDerWaalsContact O-N 3.1Å; L441-F445 HydrophobicContact CB-CD2 4.39Å; L441-F445 HydrophobicContact CB-CE2 4.18Å; L441-F445 WeakPolarHBondContact O-CD2 3.27Å; L441-F445 PolarHBondContact O-N 2.67Å
442	R	96.6	Very high	88.3	Confident	38 Å²	38	82.5 Å²	82.5	14%	0.143	44%	0.439	C	S	.	.	H	α-helix	trans	-53.6	-46.3	174.6	179	157.1	45.6	93.8	-12	111.5	D374 L400 E401 P438 I440 H446	D374-R442 IonicContact OD2-NH2 2.97Å; L400-R442 VanDerWaalsContact CG-CZ 3.49Å; E401-R442 WeakPolarHBondContact O-CD 3.03Å; P438-R442 PolarHBondContact O-N 3Å; I440-R442 VanDerWaalsContact C-N 3.34Å; I440-R442 PolarHBondContact O-N 3.22Å; R442-H446 PolarHBondContact O-N 3.35Å; R442-H446 PolarHBondContact O-ND1 2.65Å
443	K	94.2	Very high	87.7	Confident	152 Å²	152	79.1 Å²	79.1	66%	0.661	43%	0.433	S	S	*	.	H	α-helix	trans	-64.7	-44.5	174.3	-73.5	-172.8	175.5	-162.7	0	112.9	A439 I440 L441 F445 H446 L447	A439-K443 WeakPolarHBondContact O-CG 3.46Å; A439-K443 PolarHBondContact O-N 3.08Å; I440-K443 PolarHBondContact O-N 2.92Å; L441-K443 VanDerWaalsContact C-N 3.31Å; L441-K443 PolarHBondContact O-N 3.4Å; K443-F445 PolarHBondContact O-N 2.78Å; K443-H446 PolarHBondContact O-N 2.86Å; K443-L447 WeakPolarHBondContact O-CG 3.31Å; K443-L447 PolarHBondContact O-N 3.31Å
444	L	93.4	Very high	87.1	Confident	109 Å²	109	83.6 Å²	83.6	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-63	-40.4	-179.3	-70.8	169.5	0	0	0	112.9	I440 L441	I440-L444 HydrophobicContact CG2-CD1 4.04Å; I440-L444 WeakPolarHBondContact O-CG 3.46Å; I440-L444 PolarHBondContact O-N 3.11Å; L441-L444 PolarHBondContact O-N 2.96Å; L441-L444 VanDerWaalsContact O-N 3.1Å
445	F	91.3	Very high	86.4	Confident	81 Å²	81	79.4 Å²	79.4	36%	0.355	45%	0.449	S	S	.	.	H	α-helix	trans	-67	-40.7	176.9	-73.9	-57.4	0	0	0	112.7	T402 F403 P404 L441 K443 G448	T402-F445 WeakPolarHBondContact O-CD2 3.49Å; F403-F445 HydrophobicContact CD1-CD2 4.2Å; F403-F445 AromaticContact CD1-CE2 3.63Å; F403-F445 HydrophobicContact CD1-CE2 3.63Å; F403-F445 HydrophobicContact CD1-CZ 4Å; F403-F445 AromaticContact CE1-CE2 3.72Å; F403-F445 HydrophobicContact CE1-CE2 3.72Å; F403-F445 HydrophobicContact CE1-CZ 4.01Å; P404-F445 HydrophobicContact CG-CB 4.38Å; P404-F445 HydrophobicContact CG-CD1 4.39Å; L441-F445 HydrophobicContact CB-CD2 4.39Å; L441-F445 HydrophobicContact CB-CE2 4.18Å; L441-F445 WeakPolarHBondContact O-CD2 3.27Å; L441-F445 PolarHBondContact O-N 2.67Å; K443-F445 PolarHBondContact O-N 2.78Å; F445-G448 PolarHBondContact O-N 2.93Å
446	H	86.8	Confident	85.6	Confident	88 Å²	88	81.9 Å²	81.9	41%	0.407	47%	0.468	S	S	.	.	H	α-helix	trans	-78.3	-22.5	-177.8	-68	81.2	0	0	0	113.3	R442 K443 G448 M449	R442-H446 PolarHBondContact O-N 3.35Å; R442-H446 PolarHBondContact O-ND1 2.65Å; K443-H446 PolarHBondContact O-N 2.86Å; H446-G448 PolarHBondContact O-N 2.69Å; H446-M449 PolarHBondContact O-N 2.87Å
447	L	78.8	Confident	84.8	Confident	123 Å²	123	85.6 Å²	85.6	64%	0.644	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.9	166.7	-77.8	167.1	0	0	0	113.3	K443 M449 S450	K443-L447 WeakPolarHBondContact O-CG 3.31Å; K443-L447 PolarHBondContact O-N 3.31Å; L447-M449 VanDerWaalsContact C-N 3.34Å; L447-S450 PolarHBondContact O-OG 3.38Å
448	G	60.9	Low	83.9	Confident	70 Å²	70	91.6 Å²	91.6	72%	0.722	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	10.8	173.3	0	0	0	0	0	114.2	F445 H446	F445-G448 PolarHBondContact O-N 2.93Å; H446-G448 PolarHBondContact O-N 2.69Å
449	M	58.2	Low	82.8	Confident	122 Å²	122	98.3 Å²	98.3	60%	0.601	55%	0.547	S	S	*	.			trans	-126.9	5.3	-177.5	-62	-174.7	73.2	0	0	113.6	P404 H446 L447	P404-M449 HydrophobicContact CB-CE 4.33Å; P404-M449 HydrophobicContact CB-CG 4.44Å; P404-M449 HydrophobicContact CB-SD 3.32Å; P404-M449 WeakPolarHBondContact CB-SD 3.2Å; H446-M449 PolarHBondContact O-N 2.87Å; L447-M449 VanDerWaalsContact C-N 3.34Å
450	S	48.2	Very low	81.6	Confident	155 Å²	155	103.6 Å²	103.6	100%	1.084	57%	0.567	S	S	*	*			trans	-113.6	0	-176.5	60.2	0	0	0	0	111.6	L447	L447-S450 PolarHBondContact O-OG 3.38Å

Retrieved 450 of 450 residues in 447.3 ms (Link to these results)

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