A0A087XNY1_POEFO Loading...

NAD(P)H-hydrate epimerase

Catalyzes the epimerization of the S- and R-forms of NAD(P)HX, a damaged form of NAD(P)H that is a result of enzymatic or heat-dependent hydration. This is a prerequisite for the S-specific NAD(P)H-hydrate dehydratase to allow the repair of both epimers of NAD(P)HX.

AlphaFold DB , UniProt , Accession A0A087XNY1, Species POEFO (Poecilia formosa, Amazon molly), Gene APOA1BP, Length 284 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	37.9	Very low	35	Very low	237 Å²	237	146.2 Å²	146.2	100%	1.167	83%	0.827	S	S	*	*				0	81.5	0	-66.5	178.8	175.4	0	0	106.9
2	L	34.5	Very low	34.8	Very low	150 Å²	150	150 Å²	150	79%	0.785	83%	0.828	S	S	*	*				53.7	105.1	99.8	-93.3	131.4	0	0	0	113.4	V4	L2-V4 HydrophobicContact CD2-CG2 4.24Å
3	N	32.1	Very low	34.6	Very low	169 Å²	169	150.6 Å²	150.6	90%	0.904	83%	0.828	S	S	*	*				-151.5	127.2	121.4	-112.4	-15	0	0	0	112.8
4	V	36.4	Very low	34.5	Very low	107 Å²	107	147.5 Å²	147.5	65%	0.648	82%	0.816	S	S	*	*			trans	-90.7	140.1	-176.7	168.8	0	0	0	0	108.4	L2 A6	L2-V4 HydrophobicContact CD2-CG2 4.24Å; V4-A6 HydrophobicContact CG1-CB 4.49Å
5	R	42.7	Very low	34.7	Very low	255 Å²	255	146.1 Å²	146.1	96%	0.962	81%	0.813	S	S	*	*			trans	-128.7	111.9	153	-85.8	-172.5	170.6	-177.2	-2.2	109
6	A	36.6	Very low	34.7	Very low	76 Å²	76	143 Å²	143	63%	0.628	80%	0.804	S	S	*	*			trans	-99.8	157.3	168.6	0	0	0	0	0	109.7	V4	V4-A6 HydrophobicContact CG1-CB 4.49Å
7	L	34.6	Very low	34.6	Very low	155 Å²	155	148.8 Å²	148.8	81%	0.812	81%	0.811	S	S	*	*			trans	153.2	97.4	144.8	-86.8	142.6	0	0	0	107
8	L	33.2	Very low	34.8	Very low	142 Å²	142	146.9 Å²	146.9	74%	0.743	81%	0.807	S	S	*	*				84.4	108.5	85.1	-89.9	156	0	0	0	112.4	I10	L8-I10 HydrophobicContact CD2-CD1 3.98Å; L8-I10 HydrophobicContact CD2-CG1 4.03Å
9	G	29.1	Very low	34.7	Very low	83 Å²	83	145.7 Å²	145.7	86%	0.856	81%	0.809	S	S	*	*			trans	-142.5	94.4	164	0	0	0	0	0	108.6
10	I	38.1	Very low	34.6	Very low	158 Å²	158	143.6 Å²	143.6	81%	0.81	81%	0.81	S	S	*	*			trans	-80.8	139.6	175.4	-68.2	166.5	0	0	0	108.4	L8	L8-I10 HydrophobicContact CD2-CD1 3.98Å; L8-I10 HydrophobicContact CD2-CG1 4.03Å
11	G	29.7	Very low	34.6	Very low	76 Å²	76	141.5 Å²	141.5	78%	0.784	81%	0.811	S	S	*	*			trans	179.2	58.8	171.3	0	0	0	0	0	114.6
12	F	32.2	Very low	34.3	Very low	192 Å²	192	135.6 Å²	135.6	84%	0.842	79%	0.794	S	S	*	*			trans	-77.3	128.4	162.4	-110.5	-92.5	0	0	0	109	V14	F12-V14 HydrophobicContact CD1-CG2 4.03Å; F12-V14 HydrophobicContact CE1-CG2 4.16Å
13	L	32.9	Very low	34.3	Very low	158 Å²	158	136.9 Å²	136.9	83%	0.827	80%	0.8	S	S	*	*			trans	-145.9	89.9	156.4	-116	146.4	0	0	0	109.6	T15	L13-T15 HydrophobicContact CD2-CG2 4.04Å
14	V	33.8	Very low	34.5	Very low	107 Å²	107	133.4 Å²	133.4	65%	0.648	80%	0.795	S	S	*	*			trans	-72.4	124.9	160.8	170.1	0	0	0	0	107.2	F12	F12-V14 HydrophobicContact CD1-CG2 4.03Å; F12-V14 HydrophobicContact CE1-CG2 4.16Å
15	T	37.5	Very low	34.5	Very low	127 Å²	127	137.6 Å²	137.6	78%	0.779	81%	0.808	S	S	*	*			trans	-122.4	102.1	160.4	50.8	0	0	0	0	109.1	L13	L13-T15 HydrophobicContact CD2-CG2 4.04Å
16	S	33.3	Very low	34.1	Very low	96 Å²	96	130.3 Å²	130.3	67%	0.671	80%	0.802	S	S	*	*			trans	-81.6	140.3	156.2	52.4	0	0	0	0	109
17	R	33.6	Very low	33.8	Very low	242 Å²	242	130.5 Å²	130.5	91%	0.913	81%	0.811	S	S	*	*				-176.7	159.6	127.5	-99.4	-177.4	-177.4	-165.7	1.2	112.5
18	P	39.1	Very low	33.9	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	81%	0.811	S	S	*	*			trans	-115.4	178.9	-149.2	42.7	-33.5	0	0	0	115
19	C	31.6	Very low	33.6	Very low	124 Å²	124	128.2 Å²	128.2	84%	0.838	82%	0.819	S	S	*	*			trans	77.8	113.5	146.6	-135.1	0	0	0	0	119
20	A	33.2	Very low	33.9	Very low	102 Å²	102	129.7 Å²	129.7	84%	0.843	82%	0.816	S	S	*	*			trans	-152.8	108	138.1	0	0	0	0	0	109.1
21	A	33.8	Very low	33.7	Very low	100 Å²	100	129 Å²	129	83%	0.826	82%	0.818	S	S	*	*			trans	-68.9	134.4	162.9	0	0	0	0	0	109
22	S	32.6	Very low	33.8	Very low	114 Å²	114	130.8 Å²	130.8	80%	0.797	82%	0.819	S	S	*	*			trans	-132	109.9	162.6	-176.2	0	0	0	0	108.4
23	L	34.1	Very low	34	Very low	176 Å²	176	126.2 Å²	126.2	92%	0.921	82%	0.817	S	S	*	*			trans	-66.6	122.5	165.6	-80.4	137.8	0	0	0	108.4
24	A	36.4	Very low	34	Very low	97 Å²	97	123.5 Å²	123.5	80%	0.802	82%	0.817	S	S	*	*			trans	-125.7	125.6	162.1	0	0	0	0	0	109.1
25	Q	36.4	Very low	34.2	Very low	195 Å²	195	123.2 Å²	123.2	91%	0.911	83%	0.826	S	S	*	*			trans	-65.8	148.5	-167.1	-72.9	165.1	-33.6	0	0	113.9	G27	Q25-G27 PolarHBondContact O-N 3.4Å
26	A	34.8	Very low	34	Very low	101 Å²	101	125 Å²	125	84%	0.835	83%	0.831	S	S	*	*			trans	-66.8	115.9	164.1	0	0	0	0	0	110.3	S28	A26-S28 PolarHBondContact O-N 3.4Å
27	G	30.3	Very low	34.1	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	84%	0.837	S	S	*	*			trans	-86.8	98.4	166	0	0	0	0	0	110	Q25	Q25-G27 PolarHBondContact O-N 3.4Å
28	S	35.4	Very low	34.1	Very low	115 Å²	115	127 Å²	127	80%	0.804	83%	0.831	S	S	*	*			trans	-76.3	116.8	165.2	54.6	0	0	0	0	109.5	A26	A26-S28 PolarHBondContact O-N 3.4Å
29	C	28.5	Very low	33.9	Very low	133 Å²	133	132 Å²	132	90%	0.899	83%	0.834	S	S	*	*			trans	-109.7	119.8	161.2	-88.8	0	0	0	0	109.3
30	S	34.8	Very low	34.4	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-64	138.4	-175.2	45.7	0	0	0	0	113.5	S32	S30-S32 PolarHBondContact O-N 3.13Å
31	V	32.9	Very low	34.5	Very low	142 Å²	142	133.3 Å²	133.3	86%	0.861	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-57.2	123.3	164.9	-174.7	0	0	0	0	109.3
32	S	33.4	Very low	34.8	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-99.7	116.6	164	-168.3	0	0	0	0	108.7	S30	S30-S32 PolarHBondContact O-N 3.13Å
33	A	35.5	Very low	35.1	Very low	97 Å²	97	136.5 Å²	136.5	80%	0.802	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-76.3	119.5	171.9	0	0	0	0	0	108.6
34	A	33.3	Very low	35.7	Very low	100 Å²	100	134.9 Å²	134.9	83%	0.826	82%	0.822	S	S	*	*			trans	-118.4	101.9	160.8	0	0	0	0	0	107.4
35	A	37	Very low	35.6	Very low	101 Å²	101	133.4 Å²	133.4	84%	0.835	82%	0.816	S	S	*	*			trans	-67.9	131.5	163.8	0	0	0	0	0	108.2
36	D	33.1	Very low	35.8	Very low	166 Å²	166	136 Å²	136	89%	0.888	82%	0.818	S	S	*	*			trans	-143	140.1	154.9	-133.1	-17.4	0	0	0	112.3
37	R	36.5	Very low	36.1	Very low	212 Å²	212	135.8 Å²	135.8	80%	0.8	82%	0.815	S	S	*	*			trans	-89.7	162.3	-166.1	-69.2	177.3	176.2	-162.8	-0.9	111.6
38	H	34.4	Very low	36.6	Very low	168 Å²	168	136 Å²	136	78%	0.778	81%	0.809	S	S	*	*			trans	71.6	107.1	155.8	-74.4	-65.8	0	0	0	118.8
39	R	34.7	Very low	37	Very low	218 Å²	218	135.4 Å²	135.4	82%	0.823	81%	0.805	S	S	*	*				-168.9	122.1	99.1	-118.3	175.8	172.5	-178.1	-2.9	111.6	H41	R39-H41 PolarHBondContact O-N 2.94Å
40	S	40.7	Very low	37.9	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	80%	0.799	S	S	*	*			trans	-63	116.6	161.3	48.4	0	0	0	0	110
41	H	35.3	Very low	38.3	Very low	148 Å²	148	137 Å²	137	69%	0.685	80%	0.798	S	S	*	*			trans	-126.1	104	153.4	-94.2	-78.5	0	0	0	108.3	R39 L43	R39-H41 PolarHBondContact O-N 2.94Å; H41-L43 PolarHBondContact O-N 2.83Å; H41-L43 VanDerWaalsContact O-N 3.13Å
42	C	40	Very low	39.5	Very low	121 Å²	121	135 Å²	135	82%	0.818	80%	0.795	S	S	*	*			trans	-54.4	111.5	158.2	-76.8	0	0	0	0	108.4
43	L	40.2	Very low	41.1	Very low	160 Å²	160	136 Å²	136	84%	0.838	79%	0.787	S	S	*	*			trans	-115.9	98.9	155.9	-74.7	168.9	0	0	0	106.4	H41 G45	H41-L43 PolarHBondContact O-N 2.83Å; H41-L43 VanDerWaalsContact O-N 3.13Å; L43-G45 PolarHBondContact O-N 2.98Å
44	T	45.4	Very low	43.5	Very low	142 Å²	142	135.5 Å²	135.5	87%	0.871	78%	0.783	S	S	*	*			trans	-61.6	77.9	160.9	45.3	0	0	0	0	108.7	R46	T44-R46 PolarHBondContact O-N 2.93Å
45	G	35.6	Very low	46.4	Very low	66 Å²	66	132 Å²	132	68%	0.68	75%	0.752	S	S	*	*			trans	-81.8	99.2	162.5	0	0	0	0	0	107.6	L43 A47	L43-G45 PolarHBondContact O-N 2.98Å; G45-A47 VanDerWaalsContact C-N 3.35Å; G45-A47 PolarHBondContact O-N 2.82Å
46	R	39.5	Very low	49.2	Very low	250 Å²	250	131 Å²	131	94%	0.943	73%	0.726	S	S	*	*			trans	-55.2	107.7	157.6	-92.1	177.9	166.5	176.3	-4.5	106	T44 A48	T44-R46 PolarHBondContact O-N 2.93Å; R46-A48 PolarHBondContact O-N 2.94Å
47	A	41.5	Very low	52.2	Low	95 Å²	95	125.9 Å²	125.9	79%	0.785	70%	0.697	S	S	*	*			trans	-56.7	108.1	164.7	0	0	0	0	0	105.9	G45 S49	G45-A47 VanDerWaalsContact C-N 3.35Å; G45-A47 PolarHBondContact O-N 2.82Å; A47-S49 PolarHBondContact O-N 2.83Å
48	A	41.4	Very low	55.1	Low	86 Å²	86	115.9 Å²	115.9	71%	0.711	66%	0.659	S	S	*	*			trans	-58.3	110.2	165.9	0	0	0	0	0	105.3	R46 T50	R46-A48 PolarHBondContact O-N 2.94Å; A48-T50 PolarHBondContact O-N 3.23Å
49	S	42.8	Very low	58.1	Low	103 Å²	103	108 Å²	108	72%	0.72	62%	0.623	S	S	*	*			trans	-64.7	93.7	167.6	68.8	0	0	0	0	105.8	A47 M51	A47-S49 PolarHBondContact O-N 2.83Å; S49-M51 VanDerWaalsContact C-N 3.31Å; S49-M51 PolarHBondContact O-N 3.48Å
50	T	47.4	Very low	61.1	Low	126 Å²	126	99.1 Å²	99.1	77%	0.773	59%	0.591	S	S	*	*			trans	-56.9	107.2	159.3	42.6	0	0	0	0	104.8	A48 A52	A48-T50 PolarHBondContact O-N 3.23Å; T50-A52 VanDerWaalsContact C-N 3.29Å; T50-A52 PolarHBondContact O-N 2.95Å
51	M	43.9	Very low	63.8	Low	156 Å²	156	100.1 Å²	100.1	77%	0.768	58%	0.584	S	S	*	*			trans	-53.9	103.3	167.2	-70.7	-82.6	-81.8	0	0	105.2	S49 H53	S49-M51 VanDerWaalsContact C-N 3.31Å; S49-M51 PolarHBondContact O-N 3.48Å; M51-H53 PolarHBondContact O-N 3.27Å
52	A	56.9	Low	66.7	Low	98 Å²	98	95.3 Å²	95.3	81%	0.81	56%	0.562	S	S	*	*			trans	-63.2	107.3	175	0	0	0	0	0	105.7	T50 A54	T50-A52 VanDerWaalsContact C-N 3.29Å; T50-A52 PolarHBondContact O-N 2.95Å; A52-A54 PolarHBondContact O-N 3.42Å
53	H	68.9	Low	69.5	Low	137 Å²	137	89.9 Å²	89.9	63%	0.634	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-63.5	122.6	174.5	-74.6	-75.7	0	0	0	107.4	M51 H271	M51-H53 PolarHBondContact O-N 3.27Å; H53-H271 HydrophobicContact CB-CB 4.09Å
54	A	85.4	Confident	72.2	Confident	86 Å²	86	84.4 Å²	84.4	71%	0.711	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-60.5	145.5	175.4	0	0	0	0	0	109.8	A52 R56	A52-A54 PolarHBondContact O-N 3.42Å; A54-R56 PolarHBondContact O-N 3.12Å
55	V	92.9	Very high	74.7	Confident	27 Å²	27	82.6 Å²	82.6	16%	0.164	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-53	128.7	176.5	172.8	0	0	0	0	110	H57 P241 P273 L284	V55-H57 PolarHBondContact O-N 3.03Å; V55-H57 PolarHBondContact O-ND1 3.06Å; V55-H57 VanDerWaalsContact O-ND1 3.12Å; V55-P241 HydrophobicContact CG1-CG 3.71Å; V55-P273 HydrophobicContact CG2-CG 4.05Å; V55-L284 HydrophobicContact CG2-CD2 4.24Å
56	R	95.7	Very high	77.7	Confident	78 Å²	78	79.5 Å²	79.5	29%	0.294	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-69.1	132.8	177.3	-174.2	176.1	177.4	160.3	4.6	109.9	A54 E62 Y268 Q269 L270	A54-R56 PolarHBondContact O-N 3.12Å; R56-E62 IonicContact CZ-OE1 3.5Å; R56-E62 IonicContact NE-OE1 3.93Å; R56-E62 IonicContact NH2-OE1 2.65Å; R56-E62 PolarHBondContact NH2-OE1 3.46Å; R56-Y268 WeakPolarHBondContact CD-O 3.45Å; R56-Y268 PolarHBondContact NH1-O 3.32Å; R56-Q269 WeakPolarHBondContact CB-O 3.38Å; R56-Q269 VanDerWaalsContact CD-O 3.25Å; R56-Q269 WeakPolarHBondContact CD-O 3.2Å; R56-L270 WeakPolarHBondContact CB-O 3.41Å; R56-L270 PolarHBondContact N-O 3.3Å
57	H	97.6	Very high	80.4	Confident	59 Å²	59	69.1 Å²	69.1	27%	0.273	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-95.4	128.6	171	-68.5	57.7	0	0	0	110	V55 P241 K242 K243	V55-H57 PolarHBondContact O-N 3.03Å; V55-H57 PolarHBondContact O-ND1 3.06Å; V55-H57 VanDerWaalsContact O-ND1 3.12Å; H57-P241 CarbonylContact C-O 3.59Å; H57-P241 VanDerWaalsContact CA-O 3.3Å; H57-P241 WeakPolarHBondContact CA-O 3.27Å; H57-K242 PolarHBondContact CD2-O 2.95Å; H57-K243 HydrophobicContact CB-CG 4.18Å
58	L	97.8	Very high	83.1	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.01	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-88.2	137.5	-173	-61.8	179.4	0	0	0	112.3	E62 A63 I66 A240 P241 K242 K243 L270	L58-E62 HydrophobicContact CD2-CB 4.27Å; L58-A63 HydrophobicContact CB-CB 4.4Å; L58-A63 HydrophobicContact CD1-CB 4.39Å; L58-I66 HydrophobicContact CD1-CD1 3.59Å; L58-I66 HydrophobicContact CD2-CD1 4.03Å; L58-I66 HydrophobicContact CG-CD1 4.47Å; L58-A240 HydrophobicContact CD1-CB 3.75Å; L58-A240 HydrophobicContact CG-CB 4.07Å; L58-P241 PolarHBondContact N-O 3.45Å; L58-K242 CarbonylContact O-C 3.54Å; L58-K242 WeakPolarHBondContact O-CA 3.36Å; L58-K243 PolarHBondContact O-N 2.6Å; L58-L270 HydrophobicContact CD1-CD2 4.38Å; L58-L270 HydrophobicContact CD2-CD2 3.68Å; L58-L270 HydrophobicContact CG-CD2 4.4Å
59	G	97.6	Very high	85.8	Confident	2 Å²	2	67.5 Å²	67.5	2%	0.021	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-70.9	168.7	161.8	0	0	0	0	0	111.8	E61 E62 A63 E223	G59-E61 PolarHBondContact O-N 2.93Å; G59-E62 PolarHBondContact N-OE2 3.3Å; G59-E62 VanDerWaalsContact N-OE2 3.12Å; G59-E62 PolarHBondContact O-N 2.75Å; G59-A63 PolarHBondContact O-N 3.29Å; G59-A63 VanDerWaalsContact O-N 3.08Å; G59-E223 VanDerWaalsContact CA-OE1 3.24Å; G59-E223 WeakPolarHBondContact CA-OE1 3.38Å
60	Q	96.4	Very high	88.5	Confident	33 Å²	33	62.6 Å²	62.6	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-45.2	-176.3	-170.3	176.8	38.5	0	0	111.9	E62 A63 Q64 F187 F189 K190 V222 E223	Q60-E62 VanDerWaalsContact C-N 3.34Å; Q60-E62 PolarHBondContact O-N 2.73Å; Q60-A63 PolarHBondContact O-N 2.82Å; Q60-Q64 WeakPolarHBondContact O-CG 3.42Å; Q60-Q64 PolarHBondContact O-N 3.46Å; Q60-F187 WeakPolarHBondContact CG-O 3.43Å; Q60-F187 PolarHBondContact NE2-O 3.45Å; Q60-F189 PolarHBondContact NE2-O 2.7Å; Q60-K190 VanDerWaalsContact OE1-CE 3.27Å; Q60-V222 HydrophobicContact CB-CB 4.05Å; Q60-V222 HydrophobicContact CB-CG1 3.79Å; Q60-V222 HydrophobicContact CB-CG2 4.45Å; Q60-V222 HydrophobicContact CG-CB 4.29Å; Q60-V222 HydrophobicContact CG-CG1 4.16Å; Q60-V222 HydrophobicContact CG-CG2 4.14Å; Q60-E223 PolarHBondContact N-OE1 2.88Å
61	E	96.7	Very high	90.9	Very high	127 Å²	127	59.8 Å²	59.8	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-65.2	-36.3	-179.7	-64.3	-174.2	178.1	0	0	112.7	G59 Q64 K65	G59-E61 PolarHBondContact O-N 2.93Å; E61-Q64 PolarHBondContact O-N 3.05Å; E61-K65 WeakPolarHBondContact O-CG 3.25Å; E61-K65 PolarHBondContact O-N 2.65Å
62	E	97.2	Very high	93.4	Very high	48 Å²	48	56.1 Å²	56.1	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-68.7	-42.7	178	-67	177	120.1	0	0	111	R56 L58 G59 Q60 Q64 K65 I66	R56-E62 IonicContact CZ-OE1 3.5Å; R56-E62 IonicContact NE-OE1 3.93Å; R56-E62 IonicContact NH2-OE1 2.65Å; R56-E62 PolarHBondContact NH2-OE1 3.46Å; L58-E62 HydrophobicContact CD2-CB 4.27Å; G59-E62 PolarHBondContact N-OE2 3.3Å; G59-E62 VanDerWaalsContact N-OE2 3.12Å; G59-E62 PolarHBondContact O-N 2.75Å; Q60-E62 VanDerWaalsContact C-N 3.34Å; Q60-E62 PolarHBondContact O-N 2.73Å; E62-Q64 VanDerWaalsContact C-N 3.3Å; E62-Q64 PolarHBondContact O-N 3.08Å; E62-K65 PolarHBondContact O-N 3.44Å; E62-I66 WeakPolarHBondContact O-CG1 3.37Å; E62-I66 PolarHBondContact O-N 3.05Å
63	A	97.8	Very high	95.4	Very high	6 Å²	6	57.8 Å²	57.8	5%	0.05	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-40.6	174.4	0	0	0	0	0	111.6	L58 G59 Q60 I66 D67 F187 K242	L58-A63 HydrophobicContact CB-CB 4.4Å; L58-A63 HydrophobicContact CD1-CB 4.39Å; G59-A63 PolarHBondContact O-N 3.29Å; G59-A63 VanDerWaalsContact O-N 3.08Å; Q60-A63 PolarHBondContact O-N 2.82Å; A63-I66 PolarHBondContact O-N 3.21Å; A63-D67 PolarHBondContact O-N 2.93Å; A63-D67 VanDerWaalsContact O-N 3.08Å; A63-F187 HydrophobicContact CB-CD2 3.5Å; A63-F187 VanDerWaalsContact CB-CD2 3.5Å; A63-F187 HydrophobicContact CB-CE2 3.7Å; A63-F187 HydrophobicContact CB-CG 4.08Å; A63-F187 HydrophobicContact CB-CZ 4.42Å; A63-K242 HydrophobicContact CB-CD 4.17Å
64	Q	97.4	Very high	96.8	Very high	46 Å²	46	54.7 Å²	54.7	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-45.7	175.8	-72.4	178.5	-21.8	0	0	112.2	Q60 E61 E62 I66 D67 E68 F187	Q60-Q64 WeakPolarHBondContact O-CG 3.42Å; Q60-Q64 PolarHBondContact O-N 3.46Å; E61-Q64 PolarHBondContact O-N 3.05Å; E62-Q64 VanDerWaalsContact C-N 3.3Å; E62-Q64 PolarHBondContact O-N 3.08Å; Q64-I66 PolarHBondContact O-N 3.19Å; Q64-D67 PolarHBondContact O-N 3.32Å; Q64-E68 WeakPolarHBondContact O-CB 3.3Å; Q64-E68 VanDerWaalsContact O-CG 3.31Å; Q64-E68 WeakPolarHBondContact O-CG 3.49Å; Q64-E68 PolarHBondContact O-N 3.35Å; Q64-F187 HydrophobicContact CB-CE2 4.37Å; Q64-F187 HydrophobicContact CG-CD2 4.23Å; Q64-F187 HydrophobicContact CG-CE2 3.64Å
65	K	98.1	Very high	97.4	Very high	103 Å²	103	53.4 Å²	53.4	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-39.5	178.5	-71.4	170	-174.4	168.7	0	112.5	E61 E62 E68 E69	E61-K65 WeakPolarHBondContact O-CG 3.25Å; E61-K65 PolarHBondContact O-N 2.65Å; E62-K65 PolarHBondContact O-N 3.44Å; K65-E68 PolarHBondContact O-N 3Å; K65-E69 WeakPolarHBondContact O-CG 3.39Å; K65-E69 PolarHBondContact O-N 3.19Å
66	I	98.2	Very high	97.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-46.9	176.2	-74.4	167	0	0	0	110.8	L58 E62 A63 Q64 E69 L70 T239 L264 Y268 L270	L58-I66 HydrophobicContact CD1-CD1 3.59Å; L58-I66 HydrophobicContact CD2-CD1 4.03Å; L58-I66 HydrophobicContact CG-CD1 4.47Å; E62-I66 WeakPolarHBondContact O-CG1 3.37Å; E62-I66 PolarHBondContact O-N 3.05Å; A63-I66 PolarHBondContact O-N 3.21Å; Q64-I66 PolarHBondContact O-N 3.19Å; I66-E69 PolarHBondContact O-N 3.16Å; I66-L70 HydrophobicContact CG2-CD1 4.02Å; I66-L70 WeakPolarHBondContact O-CG 3.25Å; I66-L70 PolarHBondContact O-N 2.89Å; I66-T239 HydrophobicContact CG2-CG2 3.83Å; I66-L264 HydrophobicContact CG2-CD2 4.11Å; I66-Y268 HydrophobicContact CD1-CD1 3.73Å; I66-Y268 HydrophobicContact CD1-CD2 4.19Å; I66-Y268 HydrophobicContact CD1-CE1 4.17Å; I66-Y268 HydrophobicContact CD1-CG 3.74Å; I66-Y268 HydrophobicContact CG1-CD1 3.72Å; I66-Y268 HydrophobicContact CG1-CD2 3.72Å; I66-Y268 HydrophobicContact CG1-CE1 3.69Å; I66-Y268 HydrophobicContact CG1-CE2 3.7Å; I66-Y268 HydrophobicContact CG1-CG 3.73Å; I66-L270 HydrophobicContact CD1-CD2 4.01Å
67	D	97.4	Very high	97.8	Very high	33 Å²	33	53.1 Å²	53.1	18%	0.176	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-45.1	176	-98.2	29.6	0	0	0	111.4	A63 Q64 E69 L70 F71 F187	A63-D67 PolarHBondContact O-N 2.93Å; A63-D67 VanDerWaalsContact O-N 3.08Å; Q64-D67 PolarHBondContact O-N 3.32Å; D67-E69 PolarHBondContact O-N 2.82Å; D67-L70 PolarHBondContact O-N 3.18Å; D67-F71 HydrophobicContact CB-CD2 4.48Å; D67-F71 HydrophobicContact CB-CE2 4.05Å; D67-F71 WeakPolarHBondContact O-CD2 3.16Å; D67-F71 WeakPolarHBondContact O-CG 3.17Å; D67-F71 PolarHBondContact O-N 2.93Å; D67-F187 HydrophobicContact CB-CZ 4.15Å; D67-F187 WeakPolarHBondContact OD2-CE1 3.5Å; D67-F187 VanDerWaalsContact OD2-CZ 3.28Å; D67-F187 WeakPolarHBondContact OD2-CZ 3.43Å
68	E	97.9	Very high	97.8	Very high	127 Å²	127	52.9 Å²	52.9	59%	0.593	28%	0.276	S	S	*	.	H	α-helix	trans	-57.7	-46.4	176.8	-76	171.1	-173	0	0	112	Q64 K65 F71 S72	Q64-E68 WeakPolarHBondContact O-CB 3.3Å; Q64-E68 VanDerWaalsContact O-CG 3.31Å; Q64-E68 WeakPolarHBondContact O-CG 3.49Å; Q64-E68 PolarHBondContact O-N 3.35Å; K65-E68 PolarHBondContact O-N 3Å; E68-F71 PolarHBondContact O-N 3.1Å; E68-S72 VanDerWaalsContact O-CB 3.3Å; E68-S72 WeakPolarHBondContact O-CB 3.33Å; E68-S72 PolarHBondContact O-N 2.91Å; E68-S72 PolarHBondContact O-OG 3.12Å
69	E	98.6	Very high	97.8	Very high	19 Å²	19	57 Å²	57	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-43.3	176.6	-75.5	-175.6	-146.6	0	0	112.2	K65 I66 D67 F71 S72 E73 Y74 L264 K267 Y268	K65-E69 WeakPolarHBondContact O-CG 3.39Å; K65-E69 PolarHBondContact O-N 3.19Å; I66-E69 PolarHBondContact O-N 3.16Å; D67-E69 PolarHBondContact O-N 2.82Å; E69-F71 VanDerWaalsContact C-N 3.28Å; E69-F71 PolarHBondContact O-N 3.15Å; E69-S72 CarbonylContact O-C 3.54Å; E69-S72 PolarHBondContact O-N 3.15Å; E69-E73 HydrophobicContact CG-CG 4.43Å; E69-E73 PolarHBondContact O-N 2.96Å; E69-Y74 HydrophobicContact CB-CD2 4.4Å; E69-Y74 HydrophobicContact CB-CE2 4.41Å; E69-Y74 WeakPolarHBondContact O-CD2 3.03Å; E69-Y74 PolarHBondContact O-N 2.99Å; E69-Y74 VanDerWaalsContact O-N 3.09Å; E69-L264 HydrophobicContact CB-CD1 4.26Å; E69-L264 WeakPolarHBondContact OE2-CD1 3.43Å; E69-K267 VanDerWaalsContact OE1-CE 3.29Å; E69-K267 WeakPolarHBondContact OE1-CE 3.44Å; E69-K267 IonicContact OE1-NZ 2.69Å; E69-K267 PolarHBondContact OE1-NZ 3.08Å; E69-K267 WeakPolarHBondContact OE2-CE 3.38Å; E69-K267 IonicContact OE2-NZ 2.7Å; E69-K267 PolarHBondContact OE2-NZ 3.21Å; E69-Y268 WeakPolarHBondContact OE1-CE2 3.49Å; E69-Y268 PolarHBondContact OE1-OH 2.8Å
70	L	98.6	Very high	97.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.2	-43.4	178.2	-76.8	169	0	0	0	111.5	I66 D67 G75 F76 L81 F259 P261 L264	I66-L70 HydrophobicContact CG2-CD1 4.02Å; I66-L70 WeakPolarHBondContact O-CG 3.25Å; I66-L70 PolarHBondContact O-N 2.89Å; D67-L70 PolarHBondContact O-N 3.18Å; L70-G75 PolarHBondContact O-N 2.93Å; L70-F76 HydrophobicContact CB-CD2 4.44Å; L70-F76 HydrophobicContact CD2-CD2 3.85Å; L70-F76 HydrophobicContact CD2-CE2 3.93Å; L70-F76 WeakPolarHBondContact O-CB 3.4Å; L70-F76 PolarHBondContact O-N 3.35Å; L70-L81 HydrophobicContact CB-CD1 3.91Å; L70-L81 HydrophobicContact CD1-CD1 4.1Å; L70-L81 HydrophobicContact CG-CD1 4.46Å; L70-F259 HydrophobicContact CD1-CD2 4.49Å; L70-F259 HydrophobicContact CD1-CE2 4.07Å; L70-P261 HydrophobicContact CD2-CG 4.34Å; L70-L264 HydrophobicContact CD1-CD2 4.34Å; L70-L264 HydrophobicContact CD2-CD2 3.59Å; L70-L264 HydrophobicContact CG-CD2 3.75Å
71	F	97.3	Very high	97.9	Very high	67 Å²	67	60.5 Å²	60.5	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-79	-20.8	179.4	-60	-49.8	0	0	0	114.4	D67 E68 E69 F76 V78 L81	D67-F71 HydrophobicContact CB-CD2 4.48Å; D67-F71 HydrophobicContact CB-CE2 4.05Å; D67-F71 WeakPolarHBondContact O-CD2 3.16Å; D67-F71 WeakPolarHBondContact O-CG 3.17Å; D67-F71 PolarHBondContact O-N 2.93Å; E68-F71 PolarHBondContact O-N 3.1Å; E69-F71 VanDerWaalsContact C-N 3.28Å; E69-F71 PolarHBondContact O-N 3.15Å; F71-F76 WeakPolarHBondContact CA-O 3.31Å; F71-V78 HydrophobicContact CD1-CG2 4.12Å; F71-V78 HydrophobicContact CE1-CB 4.34Å; F71-V78 HydrophobicContact CE1-CG2 3.9Å; F71-V78 HydrophobicContact CZ-CG2 4.2Å; F71-L81 HydrophobicContact CD1-CD1 4.23Å; F71-L81 HydrophobicContact CE1-CB 4.33Å; F71-L81 HydrophobicContact CE1-CD1 3.63Å; F71-L81 HydrophobicContact CE1-CG 4.16Å; F71-L81 HydrophobicContact CZ-CD1 4.16Å
72	S	97.3	Very high	98	Very high	80 Å²	80	54.8 Å²	54.8	56%	0.559	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-77.7	-176.9	60.7	0	0	0	0	112.2	E68 E69 Y74 G75	E68-S72 VanDerWaalsContact O-CB 3.3Å; E68-S72 WeakPolarHBondContact O-CB 3.33Å; E68-S72 PolarHBondContact O-N 2.91Å; E68-S72 PolarHBondContact O-OG 3.12Å; E69-S72 CarbonylContact O-C 3.54Å; E69-S72 PolarHBondContact O-N 3.15Å; S72-Y74 VanDerWaalsContact C-N 3.29Å; S72-Y74 PolarHBondContact O-N 2.7Å; S72-G75 PolarHBondContact O-N 2.85Å
73	E	97.9	Very high	98.1	Very high	132 Å²	132	55.3 Å²	55.3	62%	0.617	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.7	-176.3	-62.7	-172.8	-168.3	0	0	112.9	E69 K267	E69-E73 HydrophobicContact CG-CG 4.43Å; E69-E73 PolarHBondContact O-N 2.96Å; E73-K267 IonicContact OE2-NZ 3.92Å
74	Y	98.3	Very high	98.2	Very high	73 Å²	73	58.4 Å²	58.4	29%	0.286	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-9.1	-178	-67.1	-93.1	0	0	0	113.6	E69 S72 F76 P261 L264	E69-Y74 HydrophobicContact CB-CD2 4.4Å; E69-Y74 HydrophobicContact CB-CE2 4.41Å; E69-Y74 WeakPolarHBondContact O-CD2 3.03Å; E69-Y74 PolarHBondContact O-N 2.99Å; E69-Y74 VanDerWaalsContact O-N 3.09Å; S72-Y74 VanDerWaalsContact C-N 3.29Å; S72-Y74 PolarHBondContact O-N 2.7Å; Y74-F76 VanDerWaalsContact C-N 3.25Å; Y74-F76 PolarHBondContact O-N 2.69Å; Y74-P261 HydrophobicContact CD1-CB 3.89Å; Y74-P261 HydrophobicContact CD1-CG 3.47Å; Y74-P261 VanDerWaalsContact CD1-CG 3.47Å; Y74-P261 HydrophobicContact CE1-CB 3.5Å; Y74-P261 HydrophobicContact CE1-CG 3.59Å; Y74-P261 HydrophobicContact CG-CG 4.17Å; Y74-L264 HydrophobicContact CE2-CB 4.3Å; Y74-L264 HydrophobicContact CE2-CD1 3.8Å; Y74-L264 HydrophobicContact CE2-CD2 4.48Å; Y74-L264 HydrophobicContact CE2-CG 4.44Å; Y74-L264 PolarHBondContact OH-N 3.26Å
75	G	98.1	Very high	98.2	Very high	58 Å²	58	56.5 Å²	56.5	60%	0.598	30%	0.298	S	S	*	.			trans	66.7	19.2	173	0	0	0	0	0	115.3	L70 S72	L70-G75 PolarHBondContact O-N 2.93Å; S72-G75 PolarHBondContact O-N 2.85Å
76	F	98.6	Very high	98.3	Very high	57 Å²	57	51.6 Å²	51.6	25%	0.25	28%	0.276	C	S	.	.			trans	-68.3	144	170.2	-71.4	-73.4	0	0	0	110.2	L70 F71 Y74 L81 P261	L70-F76 HydrophobicContact CB-CD2 4.44Å; L70-F76 HydrophobicContact CD2-CD2 3.85Å; L70-F76 HydrophobicContact CD2-CE2 3.93Å; L70-F76 WeakPolarHBondContact O-CB 3.4Å; L70-F76 PolarHBondContact O-N 3.35Å; F71-F76 WeakPolarHBondContact CA-O 3.31Å; Y74-F76 VanDerWaalsContact C-N 3.25Å; Y74-F76 PolarHBondContact O-N 2.69Å; F76-L81 HydrophobicContact CB-CD1 3.88Å; F76-L81 HydrophobicContact CB-CD2 3.92Å; F76-L81 HydrophobicContact CB-CG 3.79Å; F76-L81 HydrophobicContact CD1-CD2 3.68Å; F76-L81 HydrophobicContact CD1-CG 4.45Å; F76-L81 HydrophobicContact CD2-CD2 4.23Å; F76-L81 HydrophobicContact CE1-CD2 4.2Å; F76-L81 HydrophobicContact CG-CD1 4.27Å; F76-L81 HydrophobicContact CG-CD2 3.69Å; F76-L81 HydrophobicContact CG-CG 4.14Å; F76-P261 HydrophobicContact CE2-CG 4.12Å
77	S	98.3	Very high	98.3	Very high	43 Å²	43	54 Å²	54	30%	0.301	29%	0.289	S	S	.	.			trans	-92	156.8	170.5	61.4	0	0	0	0	111.4	D79 Q80 L81	S77-D79 VanDerWaalsContact C-N 3.31Å; S77-D79 WeakPolarHBondContact CB-OD1 3.18Å; S77-D79 PolarHBondContact O-N 2.97Å; S77-D79 PolarHBondContact OG-OD1 2.86Å; S77-Q80 VanDerWaalsContact N-OE1 3.11Å; S77-Q80 WeakPolarHBondContact O-CB 3.18Å; S77-Q80 PolarHBondContact O-N 2.78Å; S77-Q80 WeakPolarHBondContact OG-CG 3.36Å; S77-Q80 PolarHBondContact OG-OE1 3.35Å; S77-L81 PolarHBondContact O-N 3.45Å
78	V	97.7	Very high	98.4	Very high	53 Å²	53	52.5 Å²	52.5	32%	0.321	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-42.1	-178.8	178.4	0	0	0	0	111.4	F71 Q80 M82 L148	F71-V78 HydrophobicContact CD1-CG2 4.12Å; F71-V78 HydrophobicContact CE1-CB 4.34Å; F71-V78 HydrophobicContact CE1-CG2 3.9Å; F71-V78 HydrophobicContact CZ-CG2 4.2Å; V78-Q80 VanDerWaalsContact C-N 3.35Å; V78-Q80 PolarHBondContact O-N 3.2Å; V78-M82 HydrophobicContact CG1-CE 4.02Å; V78-M82 WeakPolarHBondContact O-CB 3.48Å; V78-M82 PolarHBondContact O-N 3.08Å; V78-L148 HydrophobicContact CB-CD2 4.31Å; V78-L148 HydrophobicContact CG1-CD2 3.68Å
79	D	98	Very high	98.4	Very high	89 Å²	89	46.4 Å²	46.4	48%	0.476	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-37.8	177.3	58.5	-28.1	0	0	0	112.6	S77 E83 L148	S77-D79 VanDerWaalsContact C-N 3.31Å; S77-D79 WeakPolarHBondContact CB-OD1 3.18Å; S77-D79 PolarHBondContact O-N 2.97Å; S77-D79 PolarHBondContact OG-OD1 2.86Å; D79-E83 VanDerWaalsContact O-CB 3.28Å; D79-E83 WeakPolarHBondContact O-CB 3.5Å; D79-E83 PolarHBondContact O-N 3.45Å; D79-L148 HydrophobicContact CB-CD1 3.81Å
80	Q	98.6	Very high	98.4	Very high	98 Å²	98	45.5 Å²	45.5	46%	0.458	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-52.6	176.3	-76	171.6	-17.4	0	0	112.1	S77 V78 E83 L84	S77-Q80 VanDerWaalsContact N-OE1 3.11Å; S77-Q80 WeakPolarHBondContact O-CB 3.18Å; S77-Q80 PolarHBondContact O-N 2.78Å; S77-Q80 WeakPolarHBondContact OG-CG 3.36Å; S77-Q80 PolarHBondContact OG-OE1 3.35Å; V78-Q80 VanDerWaalsContact C-N 3.35Å; V78-Q80 PolarHBondContact O-N 3.2Å; Q80-E83 PolarHBondContact O-N 2.96Å; Q80-L84 WeakPolarHBondContact O-CG 3.29Å; Q80-L84 PolarHBondContact O-N 2.91Å
81	L	98.6	Very high	98.5	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.052	26%	0.255	C	S	.	.	H	α-helix	trans	-69.4	-36.9	-177.4	-61.3	-168.3	0	0	0	111.7	L70 F71 F76 S77 L84 A85 F259	L70-L81 HydrophobicContact CB-CD1 3.91Å; L70-L81 HydrophobicContact CD1-CD1 4.1Å; L70-L81 HydrophobicContact CG-CD1 4.46Å; F71-L81 HydrophobicContact CD1-CD1 4.23Å; F71-L81 HydrophobicContact CE1-CB 4.33Å; F71-L81 HydrophobicContact CE1-CD1 3.63Å; F71-L81 HydrophobicContact CE1-CG 4.16Å; F71-L81 HydrophobicContact CZ-CD1 4.16Å; F76-L81 HydrophobicContact CB-CD1 3.88Å; F76-L81 HydrophobicContact CB-CD2 3.92Å; F76-L81 HydrophobicContact CB-CG 3.79Å; F76-L81 HydrophobicContact CD1-CD2 3.68Å; F76-L81 HydrophobicContact CD1-CG 4.45Å; F76-L81 HydrophobicContact CD2-CD2 4.23Å; F76-L81 HydrophobicContact CE1-CD2 4.2Å; F76-L81 HydrophobicContact CG-CD1 4.27Å; F76-L81 HydrophobicContact CG-CD2 3.69Å; F76-L81 HydrophobicContact CG-CG 4.14Å; S77-L81 PolarHBondContact O-N 3.45Å; L81-L84 PolarHBondContact O-N 3.14Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.24Å; L81-A85 PolarHBondContact O-N 3.16Å; L81-F259 HydrophobicContact CB-CE1 4.5Å; L81-F259 HydrophobicContact CD1-CE2 4.36Å; L81-F259 HydrophobicContact CD2-CB 4.21Å; L81-F259 HydrophobicContact CD2-CD1 4.04Å; L81-F259 HydrophobicContact CD2-CD2 3.89Å; L81-F259 HydrophobicContact CD2-CE1 4.37Å; L81-F259 HydrophobicContact CD2-CE2 4.27Å; L81-F259 HydrophobicContact CD2-CG 3.78Å; L81-F259 HydrophobicContact CD2-CZ 4.49Å
82	M	98.8	Very high	98.5	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.034	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-39.4	174.7	-175.3	173	-70.8	0	0	111.9	V78 A85 G86 N117 D121 V124 L148 F149 L152	V78-M82 HydrophobicContact CG1-CE 4.02Å; V78-M82 WeakPolarHBondContact O-CB 3.48Å; V78-M82 PolarHBondContact O-N 3.08Å; M82-A85 PolarHBondContact O-N 2.82Å; M82-G86 PolarHBondContact O-N 2.9Å; M82-N117 HydrophobicContact CE-CB 4.04Å; M82-D121 WeakPolarHBondContact CG-OD1 3.06Å; M82-V124 HydrophobicContact CG-CG2 4.06Å; M82-L148 HydrophobicContact CE-CD2 4.21Å; M82-L148 HydrophobicContact SD-CD2 4.16Å; M82-L148 HydrophobicContact SD-CG 4.5Å; M82-F149 HydrophobicContact CE-CE1 4.18Å; M82-L152 HydrophobicContact SD-CD1 3.51Å; M82-L152 VanDerWaalsContact SD-CD1 3.51Å
83	E	98.9	Very high	98.6	Very high	59 Å²	59	39.6 Å²	39.6	28%	0.276	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-45.2	175.3	-169.3	63.3	-152.7	0	0	111.4	D79 Q80 L87 R127 H128	D79-E83 VanDerWaalsContact O-CB 3.28Å; D79-E83 WeakPolarHBondContact O-CB 3.5Å; D79-E83 PolarHBondContact O-N 3.45Å; Q80-E83 PolarHBondContact O-N 2.96Å; E83-L87 VanDerWaalsContact O-CB 3.27Å; E83-L87 WeakPolarHBondContact O-CB 3.5Å; E83-L87 PolarHBondContact O-N 2.9Å; E83-R127 VanDerWaalsContact CD-NH2 3.35Å; E83-R127 IonicContact OE1-CZ 3.64Å; E83-R127 IonicContact OE1-NH1 3.73Å; E83-R127 PolarHBondContact OE1-NH1 2.56Å; E83-R127 IonicContact OE1-NH2 2.67Å; E83-R127 PolarHBondContact OE1-NH2 3.41Å; E83-R127 IonicContact OE2-CZ 3.54Å; E83-R127 IonicContact OE2-NH1 3.43Å; E83-R127 IonicContact OE2-NH2 3.82Å; E83-R127 PolarHBondContact OE2-NH2 3.07Å; E83-H128 IonicContact OE1-CD2 2.76Å; E83-H128 IonicContact OE1-CE1 2.63Å; E83-H128 IonicContact OE1-NE2 3.14Å; E83-H128 PolarHBondContact OE1-NE2 3Å
84	L	98.9	Very high	98.7	Very high	72 Å²	72	35.2 Å²	35.2	38%	0.377	20%	0.197	S	C	.	.	H	α-helix	trans	-68.9	-38.8	178.5	-65.2	174.4	0	0	0	112.3	Q80 L81 S88 F259	Q80-L84 WeakPolarHBondContact O-CG 3.29Å; Q80-L84 PolarHBondContact O-N 2.91Å; L81-L84 PolarHBondContact O-N 3.14Å; L84-S88 WeakPolarHBondContact O-CB 3.44Å; L84-S88 PolarHBondContact O-N 2.79Å; L84-S88 PolarHBondContact O-OG 2.86Å; L84-F259 HydrophobicContact CB-CD1 3.8Å; L84-F259 HydrophobicContact CB-CE1 4.23Å; L84-F259 HydrophobicContact CD1-CB 3.93Å; L84-F259 HydrophobicContact CD1-CD1 3.9Å; L84-F259 HydrophobicContact CD1-CG 4.34Å
85	A	98.9	Very high	98.7	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-51.8	176.7	0	0	0	0	0	111.4	L81 M82 L87 S88 C89 L238	L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.24Å; L81-A85 PolarHBondContact O-N 3.16Å; M82-A85 PolarHBondContact O-N 2.82Å; A85-L87 PolarHBondContact O-N 2.75Å; A85-S88 WeakPolarHBondContact O-CA 3.27Å; A85-S88 WeakPolarHBondContact O-CB 3.18Å; A85-S88 PolarHBondContact O-N 2.93Å; A85-S88 VanDerWaalsContact O-N 3.1Å; A85-C89 PolarHBondContact O-N 2.83Å; A85-C89 PolarHBondContact O-SG 2.88Å; A85-L238 HydrophobicContact CB-CD1 3.85Å; A85-L238 HydrophobicContact CB-CD2 4Å
86	G	98.9	Very high	98.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-36.2	178.6	0	0	0	0	0	113	M82 S88 C89 A90 C125	M82-G86 PolarHBondContact O-N 2.9Å; G86-S88 VanDerWaalsContact C-N 3.34Å; G86-C89 WeakPolarHBondContact O-CB 3.3Å; G86-C89 PolarHBondContact O-N 2.89Å; G86-A90 PolarHBondContact O-N 3.39Å; G86-C125 WeakPolarHBondContact O-CA 3.36Å
87	L	98.9	Very high	98.7	Very high	51 Å²	51	32.6 Å²	32.6	27%	0.267	17%	0.169	S	C	.	.	H	α-helix	trans	-60.7	-43.2	170	172.8	61.2	0	0	0	111.6	E83 A85 C89 A90 T91 H128 F132	E83-L87 VanDerWaalsContact O-CB 3.27Å; E83-L87 WeakPolarHBondContact O-CB 3.5Å; E83-L87 PolarHBondContact O-N 2.9Å; A85-L87 PolarHBondContact O-N 2.75Å; L87-C89 VanDerWaalsContact C-N 3.31Å; L87-C89 PolarHBondContact O-N 3.1Å; L87-A90 PolarHBondContact O-N 2.84Å; L87-T91 WeakPolarHBondContact O-CB 3.23Å; L87-T91 PolarHBondContact O-N 3.48Å; L87-T91 PolarHBondContact O-OG1 2.83Å; L87-H128 HydrophobicContact CD1-CB 4.47Å; L87-F132 HydrophobicContact CD1-CE2 4.48Å; L87-F132 HydrophobicContact CD1-CZ 3.8Å
88	S	98.9	Very high	98.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-42.9	175.6	-57.4	0	0	0	0	110.6	L84 A85 G86 T91 A92 G257 C280 V281	L84-S88 WeakPolarHBondContact O-CB 3.44Å; L84-S88 PolarHBondContact O-N 2.79Å; L84-S88 PolarHBondContact O-OG 2.86Å; A85-S88 WeakPolarHBondContact O-CA 3.27Å; A85-S88 WeakPolarHBondContact O-CB 3.18Å; A85-S88 PolarHBondContact O-N 2.93Å; A85-S88 VanDerWaalsContact O-N 3.1Å; G86-S88 VanDerWaalsContact C-N 3.34Å; S88-T91 PolarHBondContact O-N 2.91Å; S88-A92 WeakPolarHBondContact O-CB 3.42Å; S88-A92 PolarHBondContact O-N 3.08Å; S88-G257 PolarHBondContact OG-N 3.49Å; S88-G257 VanDerWaalsContact OG-N 3.09Å; S88-C280 PolarHBondContact OG-O 3.41Å; S88-V281 WeakPolarHBondContact O-CG1 3.2Å
89	C	98.9	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-50	176.8	-62.8	0	0	0	0	112.1	A85 G86 L87 T91 A92 V93 C125 I214 I236	A85-C89 PolarHBondContact O-N 2.83Å; A85-C89 PolarHBondContact O-SG 2.88Å; G86-C89 WeakPolarHBondContact O-CB 3.3Å; G86-C89 PolarHBondContact O-N 2.89Å; L87-C89 VanDerWaalsContact C-N 3.31Å; L87-C89 PolarHBondContact O-N 3.1Å; C89-T91 VanDerWaalsContact C-N 3.29Å; C89-T91 PolarHBondContact O-N 3.46Å; C89-A92 PolarHBondContact O-N 2.81Å; C89-V93 WeakPolarHBondContact O-CG2 3.48Å; C89-V93 PolarHBondContact O-N 2.98Å; C89-C125 HydrophobicContact CB-CB 3.97Å; C89-I214 HydrophobicContact CB-CD1 4.05Å; C89-I214 HydrophobicContact CB-CG1 4.34Å; C89-I236 HydrophobicContact CB-CD1 4.27Å
90	A	98.9	Very high	98.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-39	177.9	0	0	0	0	0	112.3	G86 L87 T94 C125 H128 L129 F132	G86-A90 PolarHBondContact O-N 3.39Å; L87-A90 PolarHBondContact O-N 2.84Å; A90-T94 WeakPolarHBondContact O-CB 3.41Å; A90-T94 PolarHBondContact O-N 3.37Å; A90-T94 PolarHBondContact O-OG1 3.47Å; A90-C125 PolarHBondContact N-SG 2.57Å; A90-H128 HydrophobicContact CB-CB 3.45Å; A90-H128 VanDerWaalsContact CB-CB 3.45Å; A90-L129 HydrophobicContact CB-CD2 4.12Å; A90-L129 HydrophobicContact CB-CG 3.8Å; A90-F132 HydrophobicContact CB-CD2 4.09Å; A90-F132 HydrophobicContact CB-CE2 3.71Å
91	T	98.9	Very high	98.5	Very high	23 Å²	23	34 Å²	34	14%	0.141	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-45.6	177.6	-57.2	0	0	0	0	111.1	L87 S88 C89 T94 R95 C280 V281	L87-T91 WeakPolarHBondContact O-CB 3.23Å; L87-T91 PolarHBondContact O-N 3.48Å; L87-T91 PolarHBondContact O-OG1 2.83Å; S88-T91 PolarHBondContact O-N 2.91Å; C89-T91 VanDerWaalsContact C-N 3.29Å; C89-T91 PolarHBondContact O-N 3.46Å; T91-T94 PolarHBondContact O-N 2.77Å; T91-R95 WeakPolarHBondContact O-CG 3.44Å; T91-R95 PolarHBondContact O-N 2.99Å; T91-C280 PolarHBondContact OG1-SG 2.87Å; T91-V281 HydrophobicContact CG2-CG1 4.46Å; T91-V281 HydrophobicContact CG2-CG2 3.71Å
92	A	98.9	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-46.1	178.1	0	0	0	0	0	111.2	S88 C89 T94 R95 A96 M234 I236 F254 V281	S88-A92 WeakPolarHBondContact O-CB 3.42Å; S88-A92 PolarHBondContact O-N 3.08Å; C89-A92 PolarHBondContact O-N 2.81Å; A92-T94 VanDerWaalsContact C-N 3.29Å; A92-T94 PolarHBondContact O-N 3.43Å; A92-R95 PolarHBondContact O-N 2.89Å; A92-R95 VanDerWaalsContact O-N 3.14Å; A92-A96 PolarHBondContact O-N 3.43Å; A92-M234 HydrophobicContact CB-CE 3.3Å; A92-M234 WeakPolarHBondContact O-CE 3.43Å; A92-I236 HydrophobicContact CB-CD1 4.34Å; A92-I236 HydrophobicContact CB-CG1 3.95Å; A92-I236 HydrophobicContact CB-CG2 4.37Å; A92-F254 HydrophobicContact CB-CB 3.86Å; A92-F254 HydrophobicContact CB-CD1 4.04Å; A92-F254 HydrophobicContact CB-CD2 4.28Å; A92-F254 HydrophobicContact CB-CG 3.8Å; A92-V281 HydrophobicContact CB-CB 4.49Å; A92-V281 HydrophobicContact CB-CG1 4.03Å
93	V	98.9	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-45.5	175	166.5	0	0	0	0	110.6	C89 R95 A96 Y97 L129 L179 I181 A212 M234 I236	C89-V93 WeakPolarHBondContact O-CG2 3.48Å; C89-V93 PolarHBondContact O-N 2.98Å; V93-R95 VanDerWaalsContact C-N 3.29Å; V93-R95 PolarHBondContact O-N 3.13Å; V93-A96 PolarHBondContact O-N 3.42Å; V93-Y97 HydrophobicContact CG1-CD2 4.48Å; V93-Y97 PolarHBondContact O-N 3.04Å; V93-L129 HydrophobicContact CB-CD2 4.16Å; V93-L129 HydrophobicContact CG1-CD2 3.8Å; V93-L179 HydrophobicContact CG1-CD2 3.55Å; V93-L179 HydrophobicContact CG2-CD2 4.32Å; V93-I181 HydrophobicContact CG1-CD1 4.5Å; V93-I181 HydrophobicContact CG2-CD1 4.07Å; V93-A212 HydrophobicContact CG2-CB 4.34Å; V93-M234 HydrophobicContact CG2-SD 4.28Å; V93-I236 HydrophobicContact CG2-CD1 4.15Å
94	T	98.8	Very high	98.1	Very high	39 Å²	39	41 Å²	41	24%	0.239	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-31.5	-179.9	-58.3	0	0	0	0	113	A90 T91 A92 P98 F132 Y134	A90-T94 WeakPolarHBondContact O-CB 3.41Å; A90-T94 PolarHBondContact O-N 3.37Å; A90-T94 PolarHBondContact O-OG1 3.47Å; T91-T94 PolarHBondContact O-N 2.77Å; A92-T94 VanDerWaalsContact C-N 3.29Å; A92-T94 PolarHBondContact O-N 3.43Å; T94-P98 VanDerWaalsContact O-CA 3.3Å; T94-P98 WeakPolarHBondContact O-CA 3.4Å; T94-F132 WeakPolarHBondContact OG1-CD2 3.21Å; T94-Y134 WeakPolarHBondContact CA-OH 3.23Å; T94-Y134 HydrophobicContact CG2-CE2 4.07Å; T94-Y134 WeakPolarHBondContact OG1-CE2 3.41Å
95	R	98.6	Very high	97.7	Very high	108 Å²	108	43 Å²	43	41%	0.408	26%	0.259	S	S	.	.	H	α-helix	trans	-73.8	-41.4	175.6	-73.9	-177.1	-179.7	-156.4	-10.2	112.7	T91 A92 V93 F254 D279	T91-R95 WeakPolarHBondContact O-CG 3.44Å; T91-R95 PolarHBondContact O-N 2.99Å; A92-R95 PolarHBondContact O-N 2.89Å; A92-R95 VanDerWaalsContact O-N 3.14Å; V93-R95 VanDerWaalsContact C-N 3.29Å; V93-R95 PolarHBondContact O-N 3.13Å; R95-F254 HydrophobicContact CB-CE1 4.24Å; R95-F254 HydrophobicContact CB-CZ 4.02Å; R95-D279 IonicContact CZ-OD1 3.48Å; R95-D279 IonicContact CZ-OD2 2.57Å; R95-D279 IonicContact NH1-OD2 2.77Å; R95-D279 PolarHBondContact NH1-OD2 2.98Å; R95-D279 IonicContact NH2-OD1 3.94Å; R95-D279 PolarHBondContact NH2-OD1 2.8Å; R95-D279 IonicContact NH2-OD2 3.21Å; R95-D279 PolarHBondContact NH2-OD2 3.06Å
96	A	98.6	Very high	97.6	Very high	9 Å²	9	50.6 Å²	50.6	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-75.5	-33.7	-179.2	0	0	0	0	0	112.5	A92 V93 M234 Y252 F254	A92-A96 PolarHBondContact O-N 3.43Å; V93-A96 PolarHBondContact O-N 3.42Å; A96-M234 HydrophobicContact CB-CE 4.19Å; A96-M234 HydrophobicContact CB-SD 3.76Å; A96-Y252 HydrophobicContact CB-CD1 4.15Å; A96-Y252 HydrophobicContact CB-CD2 3.87Å; A96-Y252 HydrophobicContact CB-CE1 4.45Å; A96-Y252 HydrophobicContact CB-CE2 4.16Å; A96-Y252 HydrophobicContact CB-CG 3.84Å; A96-F254 HydrophobicContact CB-CE2 4.17Å
97	Y	98.4	Very high	97.5	Very high	16 Å²	16	51.7 Å²	51.7	6%	0.063	29%	0.294	C	S	.	.	S	Bend	trans	-132.3	60.7	-175	-51.1	-80.9	0	0	0	111.6	V93 Y134 L179 P210 D233 M234 Y252	V93-Y97 HydrophobicContact CG1-CD2 4.48Å; V93-Y97 PolarHBondContact O-N 3.04Å; Y97-Y134 PolarHBondContact O-OH 3.39Å; Y97-L179 HydrophobicContact CD2-CD1 4.13Å; Y97-L179 HydrophobicContact CD2-CD2 3.82Å; Y97-L179 HydrophobicContact CE1-CD1 4.34Å; Y97-L179 HydrophobicContact CE2-CD1 3.66Å; Y97-L179 HydrophobicContact CE2-CD2 4.05Å; Y97-L179 HydrophobicContact CG-CD2 4.46Å; Y97-P210 HydrophobicContact CE1-CB 4.05Å; Y97-P210 HydrophobicContact CE1-CG 3.94Å; Y97-D233 PolarHBondContact OH-OD2 3.35Å; Y97-M234 HydrophobicContact CD2-SD 4.33Å; Y97-M234 HydrophobicContact CE2-CB 4.18Å; Y97-M234 HydrophobicContact CE2-SD 3.72Å; Y97-Y252 HydrophobicContact CE1-CE2 4.12Å
98	P	98.3	Very high	97.5	Very high	47 Å²	47	49.9 Å²	49.9	31%	0.305	29%	0.285	S	S	.	.			trans	-57.8	150.1	-179.2	25.1	-34.6	0	0	0	111.3	T94 S100 S101	T94-P98 VanDerWaalsContact O-CA 3.3Å; T94-P98 WeakPolarHBondContact O-CA 3.4Å; P98-S100 PolarHBondContact O-N 3.3Å; P98-S101 WeakPolarHBondContact CD-OG 3.23Å; P98-S101 WeakPolarHBondContact CG-OG 3.47Å; P98-S101 WeakPolarHBondContact O-CA 3.39Å; P98-S101 WeakPolarHBondContact O-CB 3.25Å; P98-S101 PolarHBondContact O-N 3.4Å; P98-S101 PolarHBondContact O-OG 3.04Å
99	L	98.2	Very high	97.5	Very high	83 Å²	83	49.8 Å²	49.8	44%	0.435	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-48	-36.9	-177.9	-68	172.2	0	0	0	113.6	S101 L102 P107 Y134	L99-S101 VanDerWaalsContact C-N 3.27Å; L99-S101 PolarHBondContact O-N 2.96Å; L99-L102 HydrophobicContact CD2-CD1 4.17Å; L99-P107 HydrophobicContact CD2-CB 3.44Å; L99-P107 VanDerWaalsContact CD2-CB 3.44Å; L99-P107 HydrophobicContact CD2-CG 4.14Å; L99-Y134 HydrophobicContact CD2-CD1 3.72Å; L99-Y134 HydrophobicContact CD2-CD2 4.27Å; L99-Y134 HydrophobicContact CD2-CE1 3.63Å; L99-Y134 HydrophobicContact CD2-CE2 4.17Å; L99-Y134 HydrophobicContact CD2-CG 4.04Å; L99-Y134 HydrophobicContact CG-CE1 4.3Å; L99-Y134 HydrophobicContact CG-CE2 4.38Å
100	S	96.9	Very high	97.5	Very high	119 Å²	119	49.8 Å²	49.8	83%	0.832	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-72	-14.4	179.2	54.5	0	0	0	0	114.9	P98	P98-S100 PolarHBondContact O-N 3.3Å
101	S	96.1	Very high	97.5	Very high	65 Å²	65	49.8 Å²	49.8	46%	0.455	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-103.5	-4.6	-179.1	72.4	0	0	0	0	113.8	P98 L99	P98-S101 WeakPolarHBondContact CD-OG 3.23Å; P98-S101 WeakPolarHBondContact CG-OG 3.47Å; P98-S101 WeakPolarHBondContact O-CA 3.39Å; P98-S101 WeakPolarHBondContact O-CB 3.25Å; P98-S101 PolarHBondContact O-N 3.4Å; P98-S101 PolarHBondContact O-OG 3.04Å; L99-S101 VanDerWaalsContact C-N 3.27Å; L99-S101 PolarHBondContact O-N 2.96Å
102	L	96.9	Very high	97.5	Very high	30 Å²	30	48.7 Å²	48.7	16%	0.157	28%	0.278	C	S	.	.			trans	-66.3	139.1	-179.2	-61.3	-176	0	0	0	110.6	L99 P107 Y134 N178	L99-L102 HydrophobicContact CD2-CD1 4.17Å; L102-P107 VanDerWaalsContact CD1-CA 3.48Å; L102-P107 HydrophobicContact CD1-CB 3.47Å; L102-P107 VanDerWaalsContact CD1-CB 3.47Å; L102-Y134 HydrophobicContact CD1-CD1 4.21Å; L102-Y134 HydrophobicContact CD1-CE1 3.98Å; L102-N178 HydrophobicContact CD2-CB 4.04Å
103	V	94.3	Very high	97.5	Very high	140 Å²	140	48.7 Å²	48.7	85%	0.848	28%	0.278	S	S	*	.	S	Bend	trans	-73.5	-37.3	-176.6	179	0	0	0	0	110.9	N178	V103-N178 PolarHBondContact N-OD1 3.32Å
104	K	95.1	Very high	97.5	Very high	52 Å²	52	48.7 Å²	48.7	23%	0.226	28%	0.278	C	S	.	.	S	Bend	trans	-94.6	146.1	-179.1	-55.5	175.7	169.9	71.4	0	110.2	R106 D174 E175 Y177 N178	K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.77Å; K104-D174 WeakPolarHBondContact CE-O 3.47Å; K104-D174 PolarHBondContact NZ-O 3.39Å; K104-E175 VanDerWaalsContact CE-C 3.42Å; K104-E175 WeakPolarHBondContact CE-O 3.37Å; K104-Y177 WeakPolarHBondContact CD-O 3.41Å; K104-Y177 WeakPolarHBondContact CE-O 3.4Å; K104-Y177 PolarHBondContact NZ-O 3.17Å; K104-N178 VanDerWaalsContact CB-OD1 3.3Å; K104-N178 WeakPolarHBondContact CB-OD1 3.24Å; K104-N178 PolarHBondContact N-OD1 3Å
105	A	91.8	Very high	97.4	Very high	113 Å²	113	49.3 Å²	49.3	93%	0.934	28%	0.283	S	S	*	.	S	Bend	trans	-61.9	-34.7	-177.5	0	0	0	0	0	113.7
106	R	96.5	Very high	97.4	Very high	166 Å²	166	45.5 Å²	45.5	63%	0.626	28%	0.277	S	S	*	.	S	Bend	trans	-87.5	135.7	172.6	-69.4	-175.5	68	172.5	-0.1	109.4	K104 S108 E135 N178	K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.77Å; R106-S108 PolarHBondContact O-N 2.86Å; R106-S108 PolarHBondContact O-OG 2.76Å; R106-E135 IonicContact CZ-OE2 3.17Å; R106-E135 IonicContact NE-OE2 2.83Å; R106-E135 PolarHBondContact NE-OE2 2.73Å; R106-E135 IonicContact NH2-OE2 2.69Å; R106-E135 PolarHBondContact NH2-OE2 3.3Å; R106-N178 PolarHBondContact O-ND2 3.21Å
107	P	97.6	Very high	97.3	Very high	23 Å²	23	48.3 Å²	48.3	15%	0.149	29%	0.291	C	S	.	.			trans	-81.7	48.6	-179.1	36.2	-37.4	0	0	0	112	L99 L102 G133 Y134 E135	L99-P107 HydrophobicContact CD2-CB 3.44Å; L99-P107 VanDerWaalsContact CD2-CB 3.44Å; L99-P107 HydrophobicContact CD2-CG 4.14Å; L102-P107 VanDerWaalsContact CD1-CA 3.48Å; L102-P107 HydrophobicContact CD1-CB 3.47Å; L102-P107 VanDerWaalsContact CD1-CB 3.47Å; P107-G133 WeakPolarHBondContact CG-O 3.4Å; P107-Y134 HydrophobicContact CB-CD1 4.14Å; P107-E135 HydrophobicContact CG-CG 4.07Å; P107-E135 PolarHBondContact O-N 2.8Å
108	S	98.5	Very high	97.3	Very high	12 Å²	12	48 Å²	48	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134	-174	49.2	0	0	0	0	112	R106 E135 A176 N178	R106-S108 PolarHBondContact O-N 2.86Å; R106-S108 PolarHBondContact O-OG 2.76Å; S108-E135 WeakPolarHBondContact CA-O 3.38Å; S108-A176 WeakPolarHBondContact CB-O 3.33Å; S108-A176 PolarHBondContact OG-O 3.07Å; S108-N178 PolarHBondContact N-ND2 2.56Å; S108-N178 PolarHBondContact O-N 2.99Å; S108-N178 PolarHBondContact O-ND2 2.88Å
109	L	98.8	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.4	177.5	-50.3	175.7	0	0	0	109.5	L129 Y134 E135 P136 T137 Y177 L179	L109-L129 HydrophobicContact CD1-CB 4.32Å; L109-L129 HydrophobicContact CD1-CD1 3.76Å; L109-L129 HydrophobicContact CD1-CD2 4Å; L109-L129 HydrophobicContact CD1-CG 4.25Å; L109-Y134 HydrophobicContact CD1-CD1 3.57Å; L109-Y134 HydrophobicContact CD1-CE1 4.38Å; L109-Y134 HydrophobicContact CD1-CG 3.66Å; L109-Y134 HydrophobicContact CD2-CD1 4.09Å; L109-Y134 HydrophobicContact CG-CD1 3.97Å; L109-Y134 HydrophobicContact CG-CG 4.38Å; L109-E135 PolarHBondContact N-O 2.99Å; L109-E135 VanDerWaalsContact N-O 3.16Å; L109-P136 CarbonylContact O-C 3.49Å; L109-P136 WeakPolarHBondContact O-CA 3.28Å; L109-T137 PolarHBondContact O-N 2.85Å; L109-Y177 VanDerWaalsContact C-CD1 3.49Å; L109-L179 WeakPolarHBondContact CA-O 3.32Å; L109-L179 HydrophobicContact CD2-CB 3.71Å; L109-L179 HydrophobicContact CD2-CD2 4.18Å; L109-L179 HydrophobicContact CD2-CG 4.5Å
110	L	98.9	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.4	171.2	177	60.8	0	0	0	109.5	I112 T137 L139 L164 I173 Y177 L179 V180 I181	L110-I112 HydrophobicContact CD2-CD1 4.08Å; L110-I112 HydrophobicContact CD2-CG1 4.2Å; L110-I112 HydrophobicContact CG-CD1 4.34Å; L110-I112 HydrophobicContact CG-CG1 3.94Å; L110-T137 CarbonylContact C-O 3.52Å; L110-T137 WeakPolarHBondContact CA-O 3.18Å; L110-T137 HydrophobicContact CD1-CG2 4.38Å; L110-L139 HydrophobicContact CD1-CB 4.38Å; L110-L164 HydrophobicContact CD1-CD1 3.81Å; L110-I173 HydrophobicContact CD2-CD1 4.05Å; L110-I173 HydrophobicContact CD2-CG1 4.08Å; L110-I173 HydrophobicContact CD2-CG2 4.4Å; L110-Y177 HydrophobicContact CB-CD1 3.9Å; L110-Y177 HydrophobicContact CB-CD2 3.91Å; L110-Y177 HydrophobicContact CB-CE1 4.09Å; L110-Y177 HydrophobicContact CB-CE2 4.09Å; L110-Y177 HydrophobicContact CB-CG 3.81Å; L110-Y177 HydrophobicContact CD2-CD2 4.35Å; L110-Y177 HydrophobicContact CD2-CE2 4.18Å; L110-L179 PolarHBondContact N-O 3.25Å; L110-V180 HydrophobicContact CB-CG2 4.38Å; L110-V180 CarbonylContact O-C 3.17Å; L110-V180 WeakPolarHBondContact O-CA 3.34Å; L110-I181 PolarHBondContact O-N 3.35Å
111	V	98.9	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118	177.2	-170.7	0	0	0	0	109.2	A126 P136 T137 V138 L139 I181	V111-A126 HydrophobicContact CB-CB 4.34Å; V111-A126 HydrophobicContact CG1-CB 4.41Å; V111-A126 HydrophobicContact CG2-CB 3.96Å; V111-P136 HydrophobicContact CG2-CB 4.32Å; V111-T137 PolarHBondContact N-O 2.78Å; V111-V138 HydrophobicContact CB-CG2 4.34Å; V111-V138 CarbonylContact O-C 3.54Å; V111-V138 WeakPolarHBondContact O-CA 3.45Å; V111-L139 PolarHBondContact O-N 2.86Å; V111-I181 HydrophobicContact CB-CB 4.42Å; V111-I181 HydrophobicContact CG1-CB 4.16Å; V111-I181 HydrophobicContact CG1-CG2 4.27Å; V111-I181 HydrophobicContact CG2-CB 4.23Å; V111-I181 HydrophobicContact CG2-CD1 4Å; V111-I181 HydrophobicContact CG2-CG1 4.37Å
112	I	98.9	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	107	-176.8	-52.7	178	0	0	0	109.1	L110 L139 M167 V180 I181 A183 I184 I200 L204	L110-I112 HydrophobicContact CD2-CD1 4.08Å; L110-I112 HydrophobicContact CD2-CG1 4.2Å; L110-I112 HydrophobicContact CG-CD1 4.34Å; L110-I112 HydrophobicContact CG-CG1 3.94Å; I112-L139 HydrophobicContact CG1-CB 4.33Å; I112-L139 HydrophobicContact CG2-CB 4.42Å; I112-L139 HydrophobicContact CG2-CD2 4.14Å; I112-L139 HydrophobicContact CG2-CG 4.44Å; I112-M167 HydrophobicContact CD1-CE 3.8Å; I112-M167 HydrophobicContact CD1-SD 3.97Å; I112-V180 HydrophobicContact CD1-CG1 3.81Å; I112-V180 HydrophobicContact CG1-CG1 4.18Å; I112-I181 PolarHBondContact N-O 3.31Å; I112-A183 CarbonylContact O-C 3.51Å; I112-A183 VanDerWaalsContact O-CA 3.3Å; I112-A183 WeakPolarHBondContact O-CA 3.47Å; I112-A183 WeakPolarHBondContact O-CB 3.43Å; I112-A183 PolarHBondContact O-N 3.31Å; I112-I184 HydrophobicContact CB-CD1 4.5Å; I112-I184 HydrophobicContact CB-CG1 4.26Å; I112-I184 HydrophobicContact CG2-CD1 3.9Å; I112-I184 HydrophobicContact CG2-CG1 3.76Å; I112-I184 PolarHBondContact O-N 2.63Å; I112-I200 HydrophobicContact CD1-CG2 4.26Å; I112-I200 HydrophobicContact CG2-CG2 3.98Å; I112-L204 HydrophobicContact CD1-CD1 4.01Å; I112-L204 HydrophobicContact CD1-CD2 3.74Å; I112-L204 HydrophobicContact CD1-CG 4.19Å
113	C	98.9	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.4	-175.8	-65.2	0	0	0	0	111.4	G119 L139 Y140	C113-G119 PolarHBondContact SG-O 3.1Å; C113-L139 PolarHBondContact N-O 2.75Å; C113-Y140 HydrophobicContact CB-CD2 3.64Å; C113-Y140 HydrophobicContact CB-CE2 4.12Å; C113-Y140 HydrophobicContact CB-CG 3.9Å; C113-Y140 WeakPolarHBondContact O-CD2 3.39Å
114	G	98.5	Very high	97.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.			trans	-88.6	-178.9	171.1	0	0	0	0	0	113.3	G116 G119 Y140 A183 I184	G114-G116 PolarHBondContact O-N 3.37Å; G114-G116 VanDerWaalsContact O-N 3.12Å; G114-G119 WeakPolarHBondContact O-CA 3.34Å; G114-Y140 WeakPolarHBondContact O-CE2 3.39Å; G114-A183 PolarHBondContact N-O 3.44Å; G114-I184 VanDerWaalsContact CA-O 3.32Å; G114-I184 WeakPolarHBondContact CA-O 3.24Å
115	P	97.3	Very high	98.1	Very high	53 Å²	53	23.2 Å²	23.2	34%	0.344	14%	0.139	S	C	.	.	S	Bend	trans	-84.9	17.1	-165.5	36.1	-35.3	0	0	0	114.1	K142 P144 F185 F197	P115-K142 WeakPolarHBondContact CA-O 3.4Å; P115-K142 HydrophobicContact CB-CB 3.97Å; P115-P144 WeakPolarHBondContact O-CG 3.43Å; P115-F185 HydrophobicContact CG-CE1 4.46Å; P115-F197 HydrophobicContact CB-CZ 4.49Å; P115-F197 HydrophobicContact CG-CE2 3.98Å; P115-F197 HydrophobicContact CG-CZ 4.08Å
116	G	97	Very high	98.5	Very high	28 Å²	28	17.9 Å²	17.9	29%	0.289	10%	0.095	S	C	.	.	S	Bend	trans	-139.4	-161.1	-170	0	0	0	0	0	112.9	G114 N118 G119 G120 F149	G114-G116 PolarHBondContact O-N 3.37Å; G114-G116 VanDerWaalsContact O-N 3.12Å; G116-N118 VanDerWaalsContact C-N 3.3Å; G116-N118 PolarHBondContact O-N 3.38Å; G116-G119 PolarHBondContact O-N 2.85Å; G116-G119 VanDerWaalsContact O-N 3.08Å; G116-G120 PolarHBondContact O-N 2.97Å; G116-G120 VanDerWaalsContact O-N 3.16Å; G116-F149 WeakPolarHBondContact O-CE1 3.3Å
117	N	98	Very high	98.6	Very high	68 Å²	68	11.4 Å²	11.4	36%	0.364	7%	0.07	S	C	.	.	H	α-helix	trans	-58.3	-41.7	-178.3	-68.3	-6	0	0	0	112.1	M82 G119 G120 D121	M82-N117 HydrophobicContact CE-CB 4.04Å; N117-G119 PolarHBondContact O-N 2.86Å; N117-G120 CarbonylContact O-C 3.34Å; N117-G120 VanDerWaalsContact O-CA 3.27Å; N117-G120 WeakPolarHBondContact O-CA 3.45Å; N117-G120 PolarHBondContact O-N 2.8Å; N117-D121 PolarHBondContact O-N 3.09Å
118	N	98.5	Very high	98.6	Very high	9 Å²	9	11.4 Å²	11.4	5%	0.048	7%	0.068	C	C	.	.	H	α-helix	trans	-58.1	-37.2	177.1	-149.5	48.1	0	0	0	112.4	G116 G120 D121 G122 A183 F185 I214	G116-N118 VanDerWaalsContact C-N 3.3Å; G116-N118 PolarHBondContact O-N 3.38Å; N118-G120 VanDerWaalsContact C-N 3.34Å; N118-D121 WeakPolarHBondContact CA-OD2 3.34Å; N118-D121 WeakPolarHBondContact O-CB 3.43Å; N118-D121 PolarHBondContact O-N 3.07Å; N118-G122 PolarHBondContact O-N 2.76Å; N118-A183 CarbonylContact C-O 3.51Å; N118-F185 PolarHBondContact ND2-O 2.75Å; N118-I214 PolarHBondContact ND2-O 3.37Å; N118-I214 WeakPolarHBondContact OD1-CG2 3.27Å; N118-I214 PolarHBondContact OD1-O 3.31Å
119	G	98.8	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.2	-34.6	173.8	0	0	0	0	0	112.8	C113 G114 G116 N117 G122 L123 A183	C113-G119 PolarHBondContact SG-O 3.1Å; G114-G119 WeakPolarHBondContact O-CA 3.34Å; G116-G119 PolarHBondContact O-N 2.85Å; G116-G119 VanDerWaalsContact O-N 3.08Å; N117-G119 PolarHBondContact O-N 2.86Å; G119-G122 PolarHBondContact O-N 2.87Å; G119-L123 WeakPolarHBondContact O-CG 3.33Å; G119-L123 PolarHBondContact O-N 3.23Å; G119-A183 VanDerWaalsContact CA-O 3.27Å; G119-A183 WeakPolarHBondContact CA-O 3.38Å; G119-A183 PolarHBondContact N-O 2.86Å
120	G	98.8	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-44.7	169.8	0	0	0	0	0	112.7	G116 N117 N118 G122 L123 V124	G116-G120 PolarHBondContact O-N 2.97Å; G116-G120 VanDerWaalsContact O-N 3.16Å; N117-G120 CarbonylContact O-C 3.34Å; N117-G120 VanDerWaalsContact O-CA 3.27Å; N117-G120 WeakPolarHBondContact O-CA 3.45Å; N117-G120 PolarHBondContact O-N 2.8Å; N118-G120 VanDerWaalsContact C-N 3.34Å; G120-G122 VanDerWaalsContact C-N 3.25Å; G120-G122 PolarHBondContact O-N 2.78Å; G120-L123 PolarHBondContact O-N 3.34Å; G120-L123 VanDerWaalsContact O-N 3.1Å; G120-V124 PolarHBondContact O-N 3.49Å
121	D	98.9	Very high	98.7	Very high	16 Å²	16	19.7 Å²	19.7	9%	0.086	11%	0.108	C	C	.	.	H	α-helix	trans	-58.6	-40.3	173	-58.7	-44	0	0	0	110.8	M82 N117 N118 V124 C125 I214	M82-D121 WeakPolarHBondContact CG-OD1 3.06Å; N117-D121 PolarHBondContact O-N 3.09Å; N118-D121 WeakPolarHBondContact CA-OD2 3.34Å; N118-D121 WeakPolarHBondContact O-CB 3.43Å; N118-D121 PolarHBondContact O-N 3.07Å; D121-V124 PolarHBondContact O-N 3.13Å; D121-C125 WeakPolarHBondContact O-CB 3.16Å; D121-C125 PolarHBondContact O-N 2.84Å; D121-I214 HydrophobicContact CB-CG2 4.22Å
122	G	98.9	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-44.1	171.9	0	0	0	0	0	113.8	N118 G119 G120 C125 A126	N118-G122 PolarHBondContact O-N 2.76Å; G119-G122 PolarHBondContact O-N 2.87Å; G120-G122 VanDerWaalsContact C-N 3.25Å; G120-G122 PolarHBondContact O-N 2.78Å; G122-C125 WeakPolarHBondContact O-CB 3.32Å; G122-C125 PolarHBondContact O-N 3.22Å; G122-A126 WeakPolarHBondContact O-CB 3.31Å; G122-A126 PolarHBondContact O-N 3.34Å
123	L	98.9	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-43.6	177.2	-68.2	172.1	0	0	0	111.8	G119 G120 A126 R127 V138 Y140 L152 C156 F163	G119-L123 WeakPolarHBondContact O-CG 3.33Å; G119-L123 PolarHBondContact O-N 3.23Å; G120-L123 PolarHBondContact O-N 3.34Å; G120-L123 VanDerWaalsContact O-N 3.1Å; L123-A126 PolarHBondContact O-N 3.35Å; L123-R127 PolarHBondContact O-N 3.44Å; L123-V138 HydrophobicContact CD2-CG1 4.01Å; L123-Y140 HydrophobicContact CD1-CD1 4.17Å; L123-Y140 HydrophobicContact CD1-CE1 3.72Å; L123-Y140 HydrophobicContact CD2-CD1 4.25Å; L123-L152 HydrophobicContact CB-CB 4.05Å; L123-L152 HydrophobicContact CD1-CB 3.7Å; L123-L152 HydrophobicContact CD1-CD1 4.45Å; L123-C156 PolarHBondContact O-SG 3.18Å; L123-C156 VanDerWaalsContact O-SG 3.38Å; L123-F163 HydrophobicContact CD2-CE1 3.99Å; L123-F163 HydrophobicContact CD2-CZ 4.01Å
124	V	99	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-45.5	174.3	172.4	0	0	0	0	110.3	M82 G120 D121 A126 R127 H128 L152	M82-V124 HydrophobicContact CG-CG2 4.06Å; G120-V124 PolarHBondContact O-N 3.49Å; D121-V124 PolarHBondContact O-N 3.13Å; V124-A126 PolarHBondContact O-N 3.38Å; V124-R127 PolarHBondContact O-N 3.26Å; V124-H128 PolarHBondContact O-CD2 3.19Å; V124-H128 VanDerWaalsContact O-CD2 3.3Å; V124-H128 PolarHBondContact O-N 3.26Å; V124-L152 HydrophobicContact CG2-CD1 4.37Å; V124-L152 HydrophobicContact CG2-CD2 3.57Å
125	C	98.9	Very high	98.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.4	-49.2	176.7	-178.8	0	0	0	0	111.3	G86 C89 A90 D121 G122 R127 H128 L129 I214	G86-C125 WeakPolarHBondContact O-CA 3.36Å; C89-C125 HydrophobicContact CB-CB 3.97Å; A90-C125 PolarHBondContact N-SG 2.57Å; D121-C125 WeakPolarHBondContact O-CB 3.16Å; D121-C125 PolarHBondContact O-N 2.84Å; G122-C125 WeakPolarHBondContact O-CB 3.32Å; G122-C125 PolarHBondContact O-N 3.22Å; C125-R127 VanDerWaalsContact C-N 3.28Å; C125-R127 PolarHBondContact O-N 3.02Å; C125-H128 PolarHBondContact O-N 3.34Å; C125-L129 WeakPolarHBondContact O-CB 3.17Å; C125-L129 VanDerWaalsContact O-CG 3.28Å; C125-L129 WeakPolarHBondContact O-CG 3.33Å; C125-L129 PolarHBondContact O-N 3.35Å; C125-L129 VanDerWaalsContact SG-CD1 3.55Å; C125-I214 HydrophobicContact CB-CD1 4.33Å
126	A	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.6	-43.6	176.1	0	0	0	0	0	111.4	V111 G122 L123 V124 L129 K130 P136 V138 I161	V111-A126 HydrophobicContact CB-CB 4.34Å; V111-A126 HydrophobicContact CG1-CB 4.41Å; V111-A126 HydrophobicContact CG2-CB 3.96Å; G122-A126 WeakPolarHBondContact O-CB 3.31Å; G122-A126 PolarHBondContact O-N 3.34Å; L123-A126 PolarHBondContact O-N 3.35Å; V124-A126 PolarHBondContact O-N 3.38Å; A126-L129 PolarHBondContact O-N 3.41Å; A126-K130 PolarHBondContact O-N 3.09Å; A126-P136 HydrophobicContact CB-CB 4.29Å; A126-P136 WeakPolarHBondContact O-CG 3.48Å; A126-V138 HydrophobicContact CB-CG2 3.85Å; A126-I161 HydrophobicContact CB-CD1 4.36Å
127	R	98.9	Very high	98.8	Very high	31 Å²	31	25.4 Å²	25.4	12%	0.117	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-50	176.2	161.7	157	67.1	63.9	2	112.2	E83 L123 V124 C125 L129 K130 L131 M159	E83-R127 VanDerWaalsContact CD-NH2 3.35Å; E83-R127 IonicContact OE1-CZ 3.64Å; E83-R127 IonicContact OE1-NH1 3.73Å; E83-R127 PolarHBondContact OE1-NH1 2.56Å; E83-R127 IonicContact OE1-NH2 2.67Å; E83-R127 PolarHBondContact OE1-NH2 3.41Å; E83-R127 IonicContact OE2-CZ 3.54Å; E83-R127 IonicContact OE2-NH1 3.43Å; E83-R127 IonicContact OE2-NH2 3.82Å; E83-R127 PolarHBondContact OE2-NH2 3.07Å; L123-R127 PolarHBondContact O-N 3.44Å; V124-R127 PolarHBondContact O-N 3.26Å; C125-R127 VanDerWaalsContact C-N 3.28Å; C125-R127 PolarHBondContact O-N 3.02Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.05Å; R127-K130 WeakPolarHBondContact O-CB 3.44Å; R127-K130 PolarHBondContact O-N 2.92Å; R127-L131 PolarHBondContact O-N 3.08Å; R127-M159 HydrophobicContact CB-CE 3.57Å; R127-M159 HydrophobicContact CB-SD 4.46Å; R127-M159 HydrophobicContact CG-CE 3.37Å; R127-M159 HydrophobicContact CG-SD 3.65Å; R127-M159 VanDerWaalsContact O-CE 3.27Å; R127-M159 WeakPolarHBondContact O-CE 3.43Å
128	H	98.9	Very high	98.9	Very high	22 Å²	22	22.2 Å²	22.2	10%	0.102	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-37.4	178.2	-76.7	-69.7	0	0	0	112.6	E83 L87 A90 V124 C125 K130 L131 F132	E83-H128 IonicContact OE1-CD2 2.76Å; E83-H128 IonicContact OE1-CE1 2.63Å; E83-H128 IonicContact OE1-NE2 3.14Å; E83-H128 PolarHBondContact OE1-NE2 3Å; L87-H128 HydrophobicContact CD1-CB 4.47Å; A90-H128 HydrophobicContact CB-CB 3.45Å; A90-H128 VanDerWaalsContact CB-CB 3.45Å; V124-H128 PolarHBondContact O-CD2 3.19Å; V124-H128 VanDerWaalsContact O-CD2 3.3Å; V124-H128 PolarHBondContact O-N 3.26Å; C125-H128 PolarHBondContact O-N 3.34Å; H128-K130 VanDerWaalsContact C-N 3.33Å; H128-K130 PolarHBondContact O-N 3.31Å; H128-L131 CarbonylContact O-C 3.57Å; H128-L131 WeakPolarHBondContact O-CA 3.19Å; H128-L131 WeakPolarHBondContact O-CB 3.47Å; H128-L131 PolarHBondContact O-N 3.02Å; H128-F132 HydrophobicContact CB-CE2 4.19Å; H128-F132 HydrophobicContact CB-CZ 4.2Å; H128-F132 WeakPolarHBondContact O-CD1 3.45Å; H128-F132 WeakPolarHBondContact O-CG 3.17Å; H128-F132 PolarHBondContact O-N 3.5Å
129	L	98.9	Very high	98.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-39.2	175.8	-74.4	165.6	0	0	0	112.8	A90 V93 L109 C125 A126 R127 L131 F132 G133 Y134 I181	A90-L129 HydrophobicContact CB-CD2 4.12Å; A90-L129 HydrophobicContact CB-CG 3.8Å; V93-L129 HydrophobicContact CB-CD2 4.16Å; V93-L129 HydrophobicContact CG1-CD2 3.8Å; L109-L129 HydrophobicContact CD1-CB 4.32Å; L109-L129 HydrophobicContact CD1-CD1 3.76Å; L109-L129 HydrophobicContact CD1-CD2 4Å; L109-L129 HydrophobicContact CD1-CG 4.25Å; C125-L129 WeakPolarHBondContact O-CB 3.17Å; C125-L129 VanDerWaalsContact O-CG 3.28Å; C125-L129 WeakPolarHBondContact O-CG 3.33Å; C125-L129 PolarHBondContact O-N 3.35Å; C125-L129 VanDerWaalsContact SG-CD1 3.55Å; A126-L129 PolarHBondContact O-N 3.41Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.05Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 3.42Å; L129-F132 CarbonylContact O-C 3.56Å; L129-F132 PolarHBondContact O-N 2.92Å; L129-F132 VanDerWaalsContact O-N 3.12Å; L129-G133 PolarHBondContact O-N 2.61Å; L129-Y134 HydrophobicContact CB-CD2 4.35Å; L129-Y134 HydrophobicContact CD2-CD2 3.72Å; L129-Y134 HydrophobicContact CD2-CE2 4.01Å; L129-Y134 HydrophobicContact CD2-CG 4.24Å; L129-Y134 WeakPolarHBondContact O-CB 3.37Å; L129-Y134 WeakPolarHBondContact O-CD2 3.34Å; L129-Y134 PolarHBondContact O-N 3.37Å; L129-I181 HydrophobicContact CD1-CD1 3.29Å
130	K	98.9	Very high	98.9	Very high	69 Å²	69	22 Å²	22	30%	0.3	12%	0.116	S	C	.	.	H	α-helix	trans	-59.6	-42.6	172.7	-177.2	71.1	174.8	-165.3	0	111.4	A126 R127 H128 F132 G133 P136 M159 I161	A126-K130 PolarHBondContact O-N 3.09Å; R127-K130 WeakPolarHBondContact O-CB 3.44Å; R127-K130 PolarHBondContact O-N 2.92Å; H128-K130 VanDerWaalsContact C-N 3.33Å; H128-K130 PolarHBondContact O-N 3.31Å; K130-F132 VanDerWaalsContact C-N 3.27Å; K130-F132 PolarHBondContact O-N 3.25Å; K130-G133 PolarHBondContact O-N 3.48Å; K130-P136 HydrophobicContact CB-CG 3.96Å; K130-P136 HydrophobicContact CD-CG 4.49Å; K130-M159 HydrophobicContact CB-CE 3.66Å; K130-M159 VanDerWaalsContact CE-O 3.31Å; K130-M159 WeakPolarHBondContact CE-O 3.38Å; K130-M159 HydrophobicContact CG-CB 4.49Å; K130-M159 HydrophobicContact CG-CE 3.9Å; K130-I161 HydrophobicContact CB-CD1 3.96Å; K130-I161 HydrophobicContact CB-CG1 4.24Å; K130-I161 HydrophobicContact CD-CG1 4.36Å; K130-I161 HydrophobicContact CG-CD1 4.44Å; K130-I161 HydrophobicContact CG-CG1 4.24Å
131	L	98.9	Very high	98.8	Very high	118 Å²	118	24.2 Å²	24.2	62%	0.618	13%	0.13	S	C	*	.	H	α-helix	trans	-67.8	-26.9	176	-65.6	175.3	0	0	0	112.7	R127 H128 L129 G133 M159	R127-L131 PolarHBondContact O-N 3.08Å; H128-L131 CarbonylContact O-C 3.57Å; H128-L131 WeakPolarHBondContact O-CA 3.19Å; H128-L131 WeakPolarHBondContact O-CB 3.47Å; H128-L131 PolarHBondContact O-N 3.02Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 3.42Å; L131-G133 PolarHBondContact O-N 3.38Å; L131-M159 HydrophobicContact CD2-SD 4.36Å; L131-M159 HydrophobicContact CG-SD 4.39Å
132	F	98.8	Very high	98.8	Very high	72 Å²	72	28.7 Å²	28.7	32%	0.316	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.8	176.8	-60.3	-15	0	0	0	113.6	L87 A90 T94 H128 L129 K130 Y134	L87-F132 HydrophobicContact CD1-CE2 4.48Å; L87-F132 HydrophobicContact CD1-CZ 3.8Å; A90-F132 HydrophobicContact CB-CD2 4.09Å; A90-F132 HydrophobicContact CB-CE2 3.71Å; T94-F132 WeakPolarHBondContact OG1-CD2 3.21Å; H128-F132 HydrophobicContact CB-CE2 4.19Å; H128-F132 HydrophobicContact CB-CZ 4.2Å; H128-F132 WeakPolarHBondContact O-CD1 3.45Å; H128-F132 WeakPolarHBondContact O-CG 3.17Å; H128-F132 PolarHBondContact O-N 3.5Å; L129-F132 CarbonylContact O-C 3.56Å; L129-F132 PolarHBondContact O-N 2.92Å; L129-F132 VanDerWaalsContact O-N 3.12Å; K130-F132 VanDerWaalsContact C-N 3.27Å; K130-F132 PolarHBondContact O-N 3.25Å; F132-Y134 HydrophobicContact CB-CD2 4.04Å; F132-Y134 HydrophobicContact CB-CE2 4.1Å
133	G	98.7	Very high	98.7	Very high	41 Å²	41	34 Å²	34	42%	0.423	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	8.4	174.6	0	0	0	0	0	115	P107 L129 K130 L131	P107-G133 WeakPolarHBondContact CG-O 3.4Å; L129-G133 PolarHBondContact O-N 2.61Å; K130-G133 PolarHBondContact O-N 3.48Å; L131-G133 PolarHBondContact O-N 3.38Å
134	Y	98.9	Very high	98.5	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	18%	0.178	C	C	.	.			trans	-83.9	165.7	171.7	-61.4	-93.4	0	0	0	111.7	T94 Y97 L99 L102 P107 L109 L129 F132 P136	T94-Y134 WeakPolarHBondContact CA-OH 3.23Å; T94-Y134 HydrophobicContact CG2-CE2 4.07Å; T94-Y134 WeakPolarHBondContact OG1-CE2 3.41Å; Y97-Y134 PolarHBondContact O-OH 3.39Å; L99-Y134 HydrophobicContact CD2-CD1 3.72Å; L99-Y134 HydrophobicContact CD2-CD2 4.27Å; L99-Y134 HydrophobicContact CD2-CE1 3.63Å; L99-Y134 HydrophobicContact CD2-CE2 4.17Å; L99-Y134 HydrophobicContact CD2-CG 4.04Å; L99-Y134 HydrophobicContact CG-CE1 4.3Å; L99-Y134 HydrophobicContact CG-CE2 4.38Å; L102-Y134 HydrophobicContact CD1-CD1 4.21Å; L102-Y134 HydrophobicContact CD1-CE1 3.98Å; P107-Y134 HydrophobicContact CB-CD1 4.14Å; L109-Y134 HydrophobicContact CD1-CD1 3.57Å; L109-Y134 HydrophobicContact CD1-CE1 4.38Å; L109-Y134 HydrophobicContact CD1-CG 3.66Å; L109-Y134 HydrophobicContact CD2-CD1 4.09Å; L109-Y134 HydrophobicContact CG-CD1 3.97Å; L109-Y134 HydrophobicContact CG-CG 4.38Å; L129-Y134 HydrophobicContact CB-CD2 4.35Å; L129-Y134 HydrophobicContact CD2-CD2 3.72Å; L129-Y134 HydrophobicContact CD2-CE2 4.01Å; L129-Y134 HydrophobicContact CD2-CG 4.24Å; L129-Y134 WeakPolarHBondContact O-CB 3.37Å; L129-Y134 WeakPolarHBondContact O-CD2 3.34Å; L129-Y134 PolarHBondContact O-N 3.37Å; F132-Y134 HydrophobicContact CB-CD2 4.04Å; F132-Y134 HydrophobicContact CB-CE2 4.1Å; Y134-P136 WeakPolarHBondContact O-CD 2.96Å
135	E	98.8	Very high	98.3	Very high	64 Å²	64	40.6 Å²	40.6	30%	0.299	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	74.6	175.3	-69	-179.8	-173.6	0	0	110.1	R106 P107 S108 L109	R106-E135 IonicContact CZ-OE2 3.17Å; R106-E135 IonicContact NE-OE2 2.83Å; R106-E135 PolarHBondContact NE-OE2 2.73Å; R106-E135 IonicContact NH2-OE2 2.69Å; R106-E135 PolarHBondContact NH2-OE2 3.3Å; P107-E135 HydrophobicContact CG-CG 4.07Å; P107-E135 PolarHBondContact O-N 2.8Å; S108-E135 WeakPolarHBondContact CA-O 3.38Å; L109-E135 PolarHBondContact N-O 2.99Å; L109-E135 VanDerWaalsContact N-O 3.16Å
136	P	98.9	Very high	98.3	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.019	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	146	179.4	30	-35	0	0	0	111	L109 V111 A126 K130 Y134 I161 P162	L109-P136 CarbonylContact O-C 3.49Å; L109-P136 WeakPolarHBondContact O-CA 3.28Å; V111-P136 HydrophobicContact CG2-CB 4.32Å; A126-P136 HydrophobicContact CB-CB 4.29Å; A126-P136 WeakPolarHBondContact O-CG 3.48Å; K130-P136 HydrophobicContact CB-CG 3.96Å; K130-P136 HydrophobicContact CD-CG 4.49Å; Y134-P136 WeakPolarHBondContact O-CD 2.96Å; P136-I161 HydrophobicContact CB-CG2 4.49Å; P136-I161 HydrophobicContact CG-CD1 3.93Å; P136-I161 HydrophobicContact CG-CG1 4.09Å; P136-I161 HydrophobicContact CG-CG2 4.27Å; P136-P162 WeakPolarHBondContact O-CD 3.36Å
137	T	98.9	Very high	98.2	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.8	165.2	-62.1	0	0	0	0	107.6	L109 L110 V111 P162 L164	L109-T137 PolarHBondContact O-N 2.85Å; L110-T137 CarbonylContact C-O 3.52Å; L110-T137 WeakPolarHBondContact CA-O 3.18Å; L110-T137 HydrophobicContact CD1-CG2 4.38Å; V111-T137 PolarHBondContact N-O 2.78Å; T137-P162 HydrophobicContact CG2-CB 4.49Å; T137-P162 HydrophobicContact CG2-CG 4.07Å; T137-L164 HydrophobicContact CG2-CD1 3.95Å; T137-L164 HydrophobicContact CG2-CD2 3.84Å; T137-L164 HydrophobicContact CG2-CG 3.53Å
138	V	98.9	Very high	98.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132	-176.8	176.6	0	0	0	0	111	V111 L123 A126 I161 P162 F163 L164	V111-V138 HydrophobicContact CB-CG2 4.34Å; V111-V138 CarbonylContact O-C 3.54Å; V111-V138 WeakPolarHBondContact O-CA 3.45Å; L123-V138 HydrophobicContact CD2-CG1 4.01Å; A126-V138 HydrophobicContact CB-CG2 3.85Å; V138-I161 HydrophobicContact CG2-CG2 3.72Å; V138-P162 PolarHBondContact N-O 2.91Å; V138-F163 HydrophobicContact CB-CD1 3.78Å; V138-F163 HydrophobicContact CB-CE1 3.72Å; V138-F163 HydrophobicContact CB-CG 4.24Å; V138-F163 HydrophobicContact CB-CZ 4.11Å; V138-F163 HydrophobicContact CG1-CD1 3.62Å; V138-F163 HydrophobicContact CG1-CE1 3.35Å; V138-F163 HydrophobicContact CG1-CZ 4.08Å; V138-F163 HydrophobicContact CG2-CE1 4.42Å; V138-F163 HydrophobicContact CG2-CZ 4.38Å; V138-F163 CarbonylContact O-C 3.46Å; V138-F163 WeakPolarHBondContact O-CA 3.34Å; V138-L164 PolarHBondContact O-N 3.48Å
139	L	98.9	Very high	98.2	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.3	160.9	177.3	63.9	0	0	0	108.3	L110 V111 I112 C113 P141 L164 M167 I200	L110-L139 HydrophobicContact CD1-CB 4.38Å; V111-L139 PolarHBondContact O-N 2.86Å; I112-L139 HydrophobicContact CG1-CB 4.33Å; I112-L139 HydrophobicContact CG2-CB 4.42Å; I112-L139 HydrophobicContact CG2-CD2 4.14Å; I112-L139 HydrophobicContact CG2-CG 4.44Å; C113-L139 PolarHBondContact N-O 2.75Å; L139-P141 HydrophobicContact CD1-CG 4.09Å; L139-P141 HydrophobicContact CD2-CG 4.38Å; L139-P141 HydrophobicContact CG-CG 3.9Å; L139-L164 HydrophobicContact CB-CB 4.47Å; L139-L164 HydrophobicContact CD1-CB 4.02Å; L139-M167 HydrophobicContact CD2-CB 3.92Å; L139-M167 HydrophobicContact CD2-CG 4.26Å; L139-M167 HydrophobicContact CD2-SD 3.37Å; L139-M167 WeakPolarHBondContact CD2-SD 3.49Å; L139-I200 HydrophobicContact CD2-CD1 4.27Å
140	Y	98.8	Very high	98.2	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.016	30%	0.299	C	S	.	.			trans	-133.5	78.1	-179.9	-168.7	-165.8	0	0	0	111.7	C113 G114 L123 K142 R143 P144 F163	C113-Y140 HydrophobicContact CB-CD2 3.64Å; C113-Y140 HydrophobicContact CB-CE2 4.12Å; C113-Y140 HydrophobicContact CB-CG 3.9Å; C113-Y140 WeakPolarHBondContact O-CD2 3.39Å; G114-Y140 WeakPolarHBondContact O-CE2 3.39Å; L123-Y140 HydrophobicContact CD1-CD1 4.17Å; L123-Y140 HydrophobicContact CD1-CE1 3.72Å; L123-Y140 HydrophobicContact CD2-CD1 4.25Å; Y140-K142 WeakPolarHBondContact CE2-O 3.42Å; Y140-K142 PolarHBondContact O-N 3.02Å; Y140-R143 HydrophobicContact CD1-CB 4.23Å; Y140-R143 HydrophobicContact CD1-CG 3.51Å; Y140-R143 HydrophobicContact CD2-CG 4.13Å; Y140-R143 HydrophobicContact CE1-CB 3.92Å; Y140-R143 HydrophobicContact CE1-CG 3.73Å; Y140-R143 HydrophobicContact CE2-CG 4.3Å; Y140-R143 HydrophobicContact CG-CG 3.75Å; Y140-R143 WeakPolarHBondContact O-CG 3.48Å; Y140-R143 PolarHBondContact O-NE 3.35Å; Y140-P144 WeakPolarHBondContact OH-CD 3.31Å; Y140-F163 HydrophobicContact CD1-CE1 4.48Å
141	P	97.7	Very high	98.2	Very high	45 Å²	45	54.8 Å²	54.8	29%	0.292	30%	0.298	S	S	.	.	S	Bend	trans	-71.3	-28.2	-166.6	-18.7	31.8	0	0	0	114.3	L139 P196 F197 I200	L139-P141 HydrophobicContact CD1-CG 4.09Å; L139-P141 HydrophobicContact CD2-CG 4.38Å; L139-P141 HydrophobicContact CG-CG 3.9Å; P141-P196 HydrophobicContact CB-CG 3.77Å; P141-P196 HydrophobicContact CG-CG 4.42Å; P141-F197 HydrophobicContact CG-CE1 4.46Å; P141-I200 HydrophobicContact CG-CD1 3.74Å
142	K	97.6	Very high	98.2	Very high	111 Å²	111	49.5 Å²	49.5	48%	0.483	27%	0.271	S	S	.	.	S	Bend	trans	-130.6	97.3	-177.6	-63.2	-64.9	-178.6	-174.6	0	109.6	P115 Y140 F197	P115-K142 WeakPolarHBondContact CA-O 3.4Å; P115-K142 HydrophobicContact CB-CB 3.97Å; Y140-K142 WeakPolarHBondContact CE2-O 3.42Å; Y140-K142 PolarHBondContact O-N 3.02Å; K142-F197 HydrophobicContact CB-CE2 4.3Å; K142-F197 HydrophobicContact CB-CZ 3.96Å; K142-F197 HydrophobicContact CG-CE2 3.92Å; K142-F197 HydrophobicContact CG-CZ 3.88Å
143	R	96.8	Very high	98.2	Very high	112 Å²	112	46.6 Å²	46.6	42%	0.423	26%	0.259	S	S	.	.			trans	-95.4	116.1	-177.2	-45.5	-166.9	-175.1	178.6	0.4	110	Y140 F163	Y140-R143 HydrophobicContact CD1-CB 4.23Å; Y140-R143 HydrophobicContact CD1-CG 3.51Å; Y140-R143 HydrophobicContact CD2-CG 4.13Å; Y140-R143 HydrophobicContact CE1-CB 3.92Å; Y140-R143 HydrophobicContact CE1-CG 3.73Å; Y140-R143 HydrophobicContact CE2-CG 4.3Å; Y140-R143 HydrophobicContact CG-CG 3.75Å; Y140-R143 WeakPolarHBondContact O-CG 3.48Å; Y140-R143 PolarHBondContact O-NE 3.35Å; R143-F163 VanDerWaalsContact NH2-CD1 3.33Å
144	P	94.9	Very high	98.2	Very high	30 Å²	30	47.8 Å²	47.8	20%	0.195	26%	0.258	C	S	.	.			trans	-64	139	175.5	-20.7	34.2	0	0	0	110.6	P115 Y140 K146 F149	P115-P144 WeakPolarHBondContact O-CG 3.43Å; Y140-P144 WeakPolarHBondContact OH-CD 3.31Å; P144-K146 HydrophobicContact CB-CG 4.45Å; P144-K146 PolarHBondContact O-N 3.14Å; P144-F149 HydrophobicContact CB-CD2 3.74Å; P144-F149 HydrophobicContact CB-CE2 4.13Å; P144-F149 HydrophobicContact CG-CD2 3.86Å; P144-F149 HydrophobicContact CG-CE2 4.07Å; P144-F149 HydrophobicContact CG-CG 4.39Å
145	S	95.9	Very high	98.2	Very high	108 Å²	108	51.4 Å²	51.4	76%	0.755	28%	0.275	S	S	*	.	S	Bend	trans	-79	58.8	175.2	-173.5	0	0	0	0	111.3
146	K	97.4	Very high	98.2	Very high	128 Å²	128	48.3 Å²	48.3	56%	0.557	26%	0.261	S	S	*	.	S	Bend	trans	-118.5	142.2	172.6	-56.1	-174.4	-178.5	177.8	0	110	P144 L148 F149 Q150	P144-K146 HydrophobicContact CB-CG 4.45Å; P144-K146 PolarHBondContact O-N 3.14Å; K146-L148 PolarHBondContact O-N 2.77Å; K146-L148 VanDerWaalsContact O-N 3.15Å; K146-F149 HydrophobicContact CB-CD2 3.98Å; K146-F149 HydrophobicContact CB-CE2 4.47Å; K146-F149 HydrophobicContact CD-CD2 4.41Å; K146-F149 HydrophobicContact CD-CE2 4.1Å; K146-F149 HydrophobicContact CG-CD2 4.46Å; K146-F149 PolarHBondContact O-N 2.93Å; K146-F149 VanDerWaalsContact O-N 3.15Å; K146-Q150 PolarHBondContact O-N 3.28Å; K146-Q150 VanDerWaalsContact O-N 3.15Å
147	P	98.3	Very high	98.2	Very high	108 Å²	108	52.8 Å²	52.8	70%	0.701	28%	0.282	S	S	*	.	H	α-helix	trans	-53.1	-37.6	-178.2	-29.9	35.9	0	0	0	114.4	Q150 G151	P147-Q150 PolarHBondContact O-N 3.36Å; P147-G151 PolarHBondContact O-N 2.87Å
148	L	98.4	Very high	98.2	Very high	51 Å²	51	60.2 Å²	60.2	27%	0.267	31%	0.312	S	S	.	.	H	α-helix	trans	-54.4	-55.9	176.8	176.9	59.9	0	0	0	112	V78 D79 M82 K146 Q150 G151 L152	V78-L148 HydrophobicContact CB-CD2 4.31Å; V78-L148 HydrophobicContact CG1-CD2 3.68Å; D79-L148 HydrophobicContact CB-CD1 3.81Å; M82-L148 HydrophobicContact CE-CD2 4.21Å; M82-L148 HydrophobicContact SD-CD2 4.16Å; M82-L148 HydrophobicContact SD-CG 4.5Å; K146-L148 PolarHBondContact O-N 2.77Å; K146-L148 VanDerWaalsContact O-N 3.15Å; L148-Q150 PolarHBondContact O-N 3.28Å; L148-G151 PolarHBondContact O-N 2.99Å; L148-L152 HydrophobicContact CD1-CD1 4.33Å; L148-L152 HydrophobicContact CD1-CG 4.5Å; L148-L152 HydrophobicContact CG-CD1 4.37Å; L148-L152 WeakPolarHBondContact O-CG 3.24Å; L148-L152 PolarHBondContact O-N 2.74Å
149	F	98.5	Very high	98.1	Very high	7 Å²	7	62.1 Å²	62.1	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-71.6	-31.8	-176.7	-58.6	-67	0	0	0	112.8	M82 G116 P144 K146 L152 T153	M82-F149 HydrophobicContact CE-CE1 4.18Å; G116-F149 WeakPolarHBondContact O-CE1 3.3Å; P144-F149 HydrophobicContact CB-CD2 3.74Å; P144-F149 HydrophobicContact CB-CE2 4.13Å; P144-F149 HydrophobicContact CG-CD2 3.86Å; P144-F149 HydrophobicContact CG-CE2 4.07Å; P144-F149 HydrophobicContact CG-CG 4.39Å; K146-F149 HydrophobicContact CB-CD2 3.98Å; K146-F149 HydrophobicContact CB-CE2 4.47Å; K146-F149 HydrophobicContact CD-CD2 4.41Å; K146-F149 HydrophobicContact CD-CE2 4.1Å; K146-F149 HydrophobicContact CG-CD2 4.46Å; K146-F149 PolarHBondContact O-N 2.93Å; K146-F149 VanDerWaalsContact O-N 3.15Å; F149-L152 HydrophobicContact CD1-CD1 4.43Å; F149-T153 WeakPolarHBondContact O-CB 3.48Å; F149-T153 PolarHBondContact O-N 3.31Å; F149-T153 PolarHBondContact O-OG1 2.95Å
150	Q	98.6	Very high	98.1	Very high	97 Å²	97	69.7 Å²	69.7	45%	0.453	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-46.2	171.4	-70.3	173	-12.9	0	0	110.6	K146 P147 L148 L152 T153 T154	K146-Q150 PolarHBondContact O-N 3.28Å; K146-Q150 VanDerWaalsContact O-N 3.15Å; P147-Q150 PolarHBondContact O-N 3.36Å; L148-Q150 PolarHBondContact O-N 3.28Å; Q150-L152 PolarHBondContact O-N 3.46Å; Q150-T153 WeakPolarHBondContact O-CB 3.49Å; Q150-T153 PolarHBondContact O-N 2.93Å; Q150-T154 PolarHBondContact O-N 3.49Å; Q150-T154 PolarHBondContact O-OG1 2.96Å
151	G	98.8	Very high	98.1	Very high	28 Å²	28	69.8 Å²	69.8	29%	0.289	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-47.4	175.4	0	0	0	0	0	112.6	P147 L148 T153 T154 Q155	P147-G151 PolarHBondContact O-N 2.87Å; L148-G151 PolarHBondContact O-N 2.99Å; G151-T153 VanDerWaalsContact C-N 3.33Å; G151-T153 PolarHBondContact O-N 3.42Å; G151-T154 PolarHBondContact O-N 3.48Å; G151-Q155 VanDerWaalsContact O-CG 3.23Å; G151-Q155 WeakPolarHBondContact O-CG 3.17Å; G151-Q155 PolarHBondContact O-N 3.1Å
152	L	98.9	Very high	98.2	Very high	8 Å²	8	70.9 Å²	70.9	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-40.1	176.2	-68.9	173.8	0	0	0	112.7	M82 L123 V124 L148 F149 Q150 Q155 C156	M82-L152 HydrophobicContact SD-CD1 3.51Å; M82-L152 VanDerWaalsContact SD-CD1 3.51Å; L123-L152 HydrophobicContact CB-CB 4.05Å; L123-L152 HydrophobicContact CD1-CB 3.7Å; L123-L152 HydrophobicContact CD1-CD1 4.45Å; V124-L152 HydrophobicContact CG2-CD1 4.37Å; V124-L152 HydrophobicContact CG2-CD2 3.57Å; L148-L152 HydrophobicContact CD1-CD1 4.33Å; L148-L152 HydrophobicContact CD1-CG 4.5Å; L148-L152 HydrophobicContact CG-CD1 4.37Å; L148-L152 WeakPolarHBondContact O-CG 3.24Å; L148-L152 PolarHBondContact O-N 2.74Å; F149-L152 HydrophobicContact CD1-CD1 4.43Å; Q150-L152 PolarHBondContact O-N 3.46Å; L152-Q155 PolarHBondContact O-N 2.67Å; L152-C156 PolarHBondContact O-N 2.8Å; L152-C156 VanDerWaalsContact O-N 3.08Å; L152-C156 PolarHBondContact O-SG 2.88Å
153	T	98.8	Very high	98.3	Very high	11 Å²	11	67.5 Å²	67.5	7%	0.067	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-50.7	175.1	-57.8	0	0	0	0	110.3	F149 Q150 G151 Q155 C156 E157 F163	F149-T153 WeakPolarHBondContact O-CB 3.48Å; F149-T153 PolarHBondContact O-N 3.31Å; F149-T153 PolarHBondContact O-OG1 2.95Å; Q150-T153 WeakPolarHBondContact O-CB 3.49Å; Q150-T153 PolarHBondContact O-N 2.93Å; G151-T153 VanDerWaalsContact C-N 3.33Å; G151-T153 PolarHBondContact O-N 3.42Å; T153-Q155 VanDerWaalsContact C-N 3.3Å; T153-Q155 PolarHBondContact O-N 3.37Å; T153-C156 WeakPolarHBondContact O-CB 3.3Å; T153-C156 PolarHBondContact O-N 2.98Å; T153-C156 VanDerWaalsContact O-N 3.14Å; T153-E157 WeakPolarHBondContact O-CG 3.4Å; T153-E157 PolarHBondContact O-N 3.25Å; T153-F163 HydrophobicContact CG2-CE1 4.24Å; T153-F163 HydrophobicContact CG2-CZ 4.02Å
154	T	98.8	Very high	98.3	Very high	66 Å²	66	64.3 Å²	64.3	41%	0.405	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-38.9	177.5	-62.2	0	0	0	0	112	Q150 G151 E157 K158	Q150-T154 PolarHBondContact O-N 3.49Å; Q150-T154 PolarHBondContact O-OG1 2.96Å; G151-T154 PolarHBondContact O-N 3.48Å; T154-E157 PolarHBondContact O-N 3.44Å; T154-K158 HydrophobicContact CG2-CG 4.13Å; T154-K158 WeakPolarHBondContact O-CB 3.34Å; T154-K158 WeakPolarHBondContact O-CG 3.43Å; T154-K158 PolarHBondContact O-N 2.73Å
155	Q	98.9	Very high	98.4	Very high	78 Å²	78	69.6 Å²	69.6	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-45.6	175.2	-71.9	164.7	20.2	0	0	111.5	G151 L152 T153 K158 M159	G151-Q155 VanDerWaalsContact O-CG 3.23Å; G151-Q155 WeakPolarHBondContact O-CG 3.17Å; G151-Q155 PolarHBondContact O-N 3.1Å; L152-Q155 PolarHBondContact O-N 2.67Å; T153-Q155 VanDerWaalsContact C-N 3.3Å; T153-Q155 PolarHBondContact O-N 3.37Å; Q155-K158 PolarHBondContact O-N 2.87Å; Q155-M159 WeakPolarHBondContact O-CG 3.44Å; Q155-M159 PolarHBondContact O-N 3.02Å
156	C	98.9	Very high	98.4	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-45.7	176.7	-65.2	0	0	0	0	111.6	L123 L152 T153 K158 M159 E160 I161 F163	L123-C156 PolarHBondContact O-SG 3.18Å; L123-C156 VanDerWaalsContact O-SG 3.38Å; L152-C156 PolarHBondContact O-N 2.8Å; L152-C156 VanDerWaalsContact O-N 3.08Å; L152-C156 PolarHBondContact O-SG 2.88Å; T153-C156 WeakPolarHBondContact O-CB 3.3Å; T153-C156 PolarHBondContact O-N 2.98Å; T153-C156 VanDerWaalsContact O-N 3.14Å; C156-K158 VanDerWaalsContact C-N 3.33Å; C156-K158 PolarHBondContact O-N 2.82Å; C156-M159 CarbonylContact O-C 3.55Å; C156-M159 PolarHBondContact O-N 2.81Å; C156-M159 VanDerWaalsContact O-N 3.11Å; C156-E160 PolarHBondContact O-N 2.82Å; C156-I161 HydrophobicContact CB-CB 4.23Å; C156-I161 HydrophobicContact CB-CD1 4.17Å; C156-I161 WeakPolarHBondContact O-CB 3.37Å; C156-I161 PolarHBondContact O-N 3.18Å; C156-I161 VanDerWaalsContact O-N 3.12Å; C156-F163 HydrophobicContact CB-CE2 3.7Å; C156-F163 HydrophobicContact CB-CZ 3.72Å
157	E	98.8	Very high	98.5	Very high	97 Å²	97	67.3 Å²	67.3	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-40.9	176.7	-69.5	169.7	166.6	0	0	111.9	T153 T154 M159 E160 F163	T153-E157 WeakPolarHBondContact O-CG 3.4Å; T153-E157 PolarHBondContact O-N 3.25Å; T154-E157 PolarHBondContact O-N 3.44Å; E157-M159 PolarHBondContact O-N 2.89Å; E157-E160 PolarHBondContact O-N 3.32Å; E157-F163 HydrophobicContact CG-CD2 4.13Å; E157-F163 HydrophobicContact CG-CE2 3.85Å
158	K	98.8	Very high	98.4	Very high	173 Å²	173	63.3 Å²	63.3	75%	0.752	33%	0.327	S	S	*	.	H	α-helix	trans	-70.2	-11.9	177.6	-70.6	-65	177	-169.6	0	114.2	T154 Q155 C156	T154-K158 HydrophobicContact CG2-CG 4.13Å; T154-K158 WeakPolarHBondContact O-CB 3.34Å; T154-K158 WeakPolarHBondContact O-CG 3.43Å; T154-K158 PolarHBondContact O-N 2.73Å; Q155-K158 PolarHBondContact O-N 2.87Å; C156-K158 VanDerWaalsContact C-N 3.33Å; C156-K158 PolarHBondContact O-N 2.82Å
159	M	98.6	Very high	98.4	Very high	41 Å²	41	66.8 Å²	66.8	20%	0.202	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	16.9	168.7	-57.9	-161.3	-33.7	0	0	113.1	R127 K130 L131 Q155 C156 E157 I161	R127-M159 HydrophobicContact CB-CE 3.57Å; R127-M159 HydrophobicContact CB-SD 4.46Å; R127-M159 HydrophobicContact CG-CE 3.37Å; R127-M159 HydrophobicContact CG-SD 3.65Å; R127-M159 VanDerWaalsContact O-CE 3.27Å; R127-M159 WeakPolarHBondContact O-CE 3.43Å; K130-M159 HydrophobicContact CB-CE 3.66Å; K130-M159 VanDerWaalsContact CE-O 3.31Å; K130-M159 WeakPolarHBondContact CE-O 3.38Å; K130-M159 HydrophobicContact CG-CB 4.49Å; K130-M159 HydrophobicContact CG-CE 3.9Å; L131-M159 HydrophobicContact CD2-SD 4.36Å; L131-M159 HydrophobicContact CG-SD 4.39Å; Q155-M159 WeakPolarHBondContact O-CG 3.44Å; Q155-M159 PolarHBondContact O-N 3.02Å; C156-M159 CarbonylContact O-C 3.55Å; C156-M159 PolarHBondContact O-N 2.81Å; C156-M159 VanDerWaalsContact O-N 3.11Å; E157-M159 PolarHBondContact O-N 2.89Å; M159-I161 HydrophobicContact CB-CG1 4.39Å; M159-I161 HydrophobicContact CE-CD1 3.65Å; M159-I161 HydrophobicContact CE-CG1 4.34Å; M159-I161 PolarHBondContact O-N 3.43Å
160	E	98.7	Very high	98.4	Very high	161 Å²	161	66.6 Å²	66.6	75%	0.752	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	34.6	175.6	-50.4	176.1	168.2	0	0	112.5	C156 E157 P162	C156-E160 PolarHBondContact O-N 2.82Å; E157-E160 PolarHBondContact O-N 3.32Å; E160-P162 WeakPolarHBondContact O-CD 3.34Å
161	I	98.9	Very high	98.4	Very high	6 Å²	6	67.9 Å²	67.9	3%	0.031	35%	0.348	C	S	.	.			trans	-82.9	117.6	170.6	-60.8	-180	0	0	0	107.8	A126 K130 P136 V138 C156 M159 F163	A126-I161 HydrophobicContact CB-CD1 4.36Å; K130-I161 HydrophobicContact CB-CD1 3.96Å; K130-I161 HydrophobicContact CB-CG1 4.24Å; K130-I161 HydrophobicContact CD-CG1 4.36Å; K130-I161 HydrophobicContact CG-CD1 4.44Å; K130-I161 HydrophobicContact CG-CG1 4.24Å; P136-I161 HydrophobicContact CB-CG2 4.49Å; P136-I161 HydrophobicContact CG-CD1 3.93Å; P136-I161 HydrophobicContact CG-CG1 4.09Å; P136-I161 HydrophobicContact CG-CG2 4.27Å; V138-I161 HydrophobicContact CG2-CG2 3.72Å; C156-I161 HydrophobicContact CB-CB 4.23Å; C156-I161 HydrophobicContact CB-CD1 4.17Å; C156-I161 WeakPolarHBondContact O-CB 3.37Å; C156-I161 PolarHBondContact O-N 3.18Å; C156-I161 VanDerWaalsContact O-N 3.12Å; M159-I161 HydrophobicContact CB-CG1 4.39Å; M159-I161 HydrophobicContact CE-CD1 3.65Å; M159-I161 HydrophobicContact CE-CG1 4.34Å; M159-I161 PolarHBondContact O-N 3.43Å; I161-F163 WeakPolarHBondContact O-CD2 3.38Å
162	P	98.8	Very high	98.4	Very high	67 Å²	67	70.1 Å²	70.1	44%	0.435	36%	0.355	S	S	.	.			trans	-68.8	144.5	178.9	27.4	-34	0	0	0	111.5	P136 T137 V138 E160	P136-P162 WeakPolarHBondContact O-CD 3.36Å; T137-P162 HydrophobicContact CG2-CB 4.49Å; T137-P162 HydrophobicContact CG2-CG 4.07Å; V138-P162 PolarHBondContact N-O 2.91Å; E160-P162 WeakPolarHBondContact O-CD 3.34Å
163	F	98.8	Very high	98.4	Very high	40 Å²	40	69.7 Å²	69.7	18%	0.175	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.4	171.7	-77.7	-103.8	0	0	0	110.4	L123 V138 Y140 R143 T153 C156 E157 I161	L123-F163 HydrophobicContact CD2-CE1 3.99Å; L123-F163 HydrophobicContact CD2-CZ 4.01Å; V138-F163 HydrophobicContact CB-CD1 3.78Å; V138-F163 HydrophobicContact CB-CE1 3.72Å; V138-F163 HydrophobicContact CB-CG 4.24Å; V138-F163 HydrophobicContact CB-CZ 4.11Å; V138-F163 HydrophobicContact CG1-CD1 3.62Å; V138-F163 HydrophobicContact CG1-CE1 3.35Å; V138-F163 HydrophobicContact CG1-CZ 4.08Å; V138-F163 HydrophobicContact CG2-CE1 4.42Å; V138-F163 HydrophobicContact CG2-CZ 4.38Å; V138-F163 CarbonylContact O-C 3.46Å; V138-F163 WeakPolarHBondContact O-CA 3.34Å; Y140-F163 HydrophobicContact CD1-CE1 4.48Å; R143-F163 VanDerWaalsContact NH2-CD1 3.33Å; T153-F163 HydrophobicContact CG2-CE1 4.24Å; T153-F163 HydrophobicContact CG2-CZ 4.02Å; C156-F163 HydrophobicContact CB-CE2 3.7Å; C156-F163 HydrophobicContact CB-CZ 3.72Å; E157-F163 HydrophobicContact CG-CD2 4.13Å; E157-F163 HydrophobicContact CG-CE2 3.85Å; I161-F163 WeakPolarHBondContact O-CD2 3.38Å
164	L	98.6	Very high	98.4	Very high	46 Å²	46	70.5 Å²	70.5	24%	0.241	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	144.6	170.5	-59.8	179.6	0	0	0	110.4	L110 T137 V138 L139 P168	L110-L164 HydrophobicContact CD1-CD1 3.81Å; T137-L164 HydrophobicContact CG2-CD1 3.95Å; T137-L164 HydrophobicContact CG2-CD2 3.84Å; T137-L164 HydrophobicContact CG2-CG 3.53Å; V138-L164 PolarHBondContact O-N 3.48Å; L139-L164 HydrophobicContact CB-CB 4.47Å; L139-L164 HydrophobicContact CD1-CB 4.02Å; L164-P168 HydrophobicContact CD1-CG 3.76Å
165	T	96.5	Very high	98.3	Very high	140 Å²	140	74.9 Å²	74.9	86%	0.859	37%	0.373	S	S	*	.	S	Bend	trans	-86.7	-28.2	174.6	46.9	0	0	0	0	112.5
166	E	96.3	Very high	98.3	Very high	151 Å²	151	73.2 Å²	73.2	71%	0.706	37%	0.372	S	S	*	.	S	Bend	trans	-140	159.5	-176.5	64.2	-169.9	178.4	0	0	111.4	P168	E166-P168 WeakPolarHBondContact O-CD 3.46Å
167	M	97.8	Very high	98.3	Very high	37 Å²	37	74.2 Å²	74.2	18%	0.182	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-74.8	122.3	175.8	-175.4	63.3	175.6	0	0	109	I112 L139 I173 I200 V203 L204	I112-M167 HydrophobicContact CD1-CE 3.8Å; I112-M167 HydrophobicContact CD1-SD 3.97Å; L139-M167 HydrophobicContact CD2-CB 3.92Å; L139-M167 HydrophobicContact CD2-CG 4.26Å; L139-M167 HydrophobicContact CD2-SD 3.37Å; L139-M167 WeakPolarHBondContact CD2-SD 3.49Å; M167-I173 HydrophobicContact CE-CD1 3.44Å; M167-I173 VanDerWaalsContact CE-CD1 3.44Å; M167-I173 HydrophobicContact SD-CD1 4.32Å; M167-I200 HydrophobicContact CB-CG1 4.09Å; M167-I200 HydrophobicContact CE-CG2 4.1Å; M167-I200 HydrophobicContact CG-CG1 4.08Å; M167-I200 HydrophobicContact SD-CG1 4.35Å; M167-I200 HydrophobicContact SD-CG2 4.12Å; M167-V203 HydrophobicContact CE-CB 3.84Å; M167-V203 HydrophobicContact CE-CG1 3.6Å; M167-V203 HydrophobicContact CG-CB 4.39Å; M167-V203 HydrophobicContact CG-CG1 4.42Å; M167-V203 HydrophobicContact CG-CG2 4.36Å; M167-L204 HydrophobicContact CE-CD2 3.84Å; M167-L204 HydrophobicContact CE-CG 4.07Å
168	P	98.1	Very high	98.2	Very high	24 Å²	24	70.1 Å²	70.1	16%	0.156	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-68	158.4	172	-13.4	28.3	0	0	0	111.1	L164 E166 V172 I173	L164-P168 HydrophobicContact CD1-CG 3.76Å; E166-P168 WeakPolarHBondContact O-CD 3.46Å; P168-V172 HydrophobicContact CB-CB 4.03Å; P168-V172 HydrophobicContact CB-CG1 3.93Å; P168-I173 HydrophobicContact CB-CG1 4.08Å; P168-I173 HydrophobicContact CG-CG1 4.35Å
169	E	98.4	Very high	98.2	Very high	125 Å²	125	62 Å²	62	58%	0.584	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-64.1	157.4	169.5	-62.3	-61.3	159.4	0	0	111.5	E171 V172 I173	E169-E171 VanDerWaalsContact C-N 3.29Å; E169-E171 PolarHBondContact O-N 3.26Å; E169-V172 HydrophobicContact CB-CG2 4.43Å; E169-V172 WeakPolarHBondContact O-CB 3.4Å; E169-V172 PolarHBondContact O-N 3.38Å; E169-V172 VanDerWaalsContact O-N 3.11Å; E169-I173 PolarHBondContact O-N 2.98Å; E169-I173 VanDerWaalsContact O-N 3.1Å
170	A	98.4	Very high	98.3	Very high	3 Å²	3	60 Å²	60	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-40	-173.8	0	0	0	0	0	112.6	V172 I173 D174 V203 K206 T207	A170-V172 VanDerWaalsContact C-N 3.33Å; A170-V172 PolarHBondContact O-N 3.35Å; A170-I173 WeakPolarHBondContact O-CB 3.39Å; A170-I173 PolarHBondContact O-N 2.95Å; A170-I173 VanDerWaalsContact O-N 3.17Å; A170-D174 PolarHBondContact O-N 3.21Å; A170-V203 HydrophobicContact CB-CG1 4.06Å; A170-K206 HydrophobicContact CB-CB 3.83Å; A170-T207 HydrophobicContact CB-CG2 4.02Å
171	E	98.4	Very high	98.3	Very high	124 Å²	124	52.3 Å²	52.3	58%	0.579	28%	0.277	S	S	*	.	H	α-helix	trans	-64.8	-38.7	179.6	-61.2	74.5	-163	0	0	111.4	E169 I173 D174 E175	E169-E171 VanDerWaalsContact C-N 3.29Å; E169-E171 PolarHBondContact O-N 3.26Å; E171-I173 VanDerWaalsContact C-N 3.3Å; E171-I173 PolarHBondContact O-N 2.92Å; E171-D174 PolarHBondContact O-N 2.89Å; E171-E175 WeakPolarHBondContact O-CG 3.48Å; E171-E175 PolarHBondContact O-N 2.97Å
172	V	98.4	Very high	98.3	Very high	74 Å²	74	52 Å²	52	45%	0.448	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-39.4	175.9	179.4	0	0	0	0	110.3	P168 E169 A170 E175 A176	P168-V172 HydrophobicContact CB-CB 4.03Å; P168-V172 HydrophobicContact CB-CG1 3.93Å; E169-V172 HydrophobicContact CB-CG2 4.43Å; E169-V172 WeakPolarHBondContact O-CB 3.4Å; E169-V172 PolarHBondContact O-N 3.38Å; E169-V172 VanDerWaalsContact O-N 3.11Å; A170-V172 VanDerWaalsContact C-N 3.33Å; A170-V172 PolarHBondContact O-N 3.35Å; V172-E175 PolarHBondContact O-N 3.23Å; V172-A176 WeakPolarHBondContact O-CB 3.47Å; V172-A176 PolarHBondContact O-N 3.44Å
173	I	98.5	Very high	98.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-46.7	176.4	-64.9	170.8	0	0	0	110.2	L110 M167 P168 E169 A170 E171 E175 A176 Y177 V180 V203 T207 V209	L110-I173 HydrophobicContact CD2-CD1 4.05Å; L110-I173 HydrophobicContact CD2-CG1 4.08Å; L110-I173 HydrophobicContact CD2-CG2 4.4Å; M167-I173 HydrophobicContact CE-CD1 3.44Å; M167-I173 VanDerWaalsContact CE-CD1 3.44Å; M167-I173 HydrophobicContact SD-CD1 4.32Å; P168-I173 HydrophobicContact CB-CG1 4.08Å; P168-I173 HydrophobicContact CG-CG1 4.35Å; E169-I173 PolarHBondContact O-N 2.98Å; E169-I173 VanDerWaalsContact O-N 3.1Å; A170-I173 WeakPolarHBondContact O-CB 3.39Å; A170-I173 PolarHBondContact O-N 2.95Å; A170-I173 VanDerWaalsContact O-N 3.17Å; E171-I173 VanDerWaalsContact C-N 3.3Å; E171-I173 PolarHBondContact O-N 2.92Å; I173-E175 VanDerWaalsContact C-N 3.3Å; I173-E175 PolarHBondContact O-N 3Å; I173-A176 PolarHBondContact O-N 3.23Å; I173-Y177 HydrophobicContact CB-CD2 4.36Å; I173-Y177 HydrophobicContact CG2-CD2 4.06Å; I173-Y177 PolarHBondContact O-N 3.23Å; I173-V180 HydrophobicContact CG2-CG2 3.58Å; I173-V203 HydrophobicContact CD1-CG1 3.9Å; I173-T207 HydrophobicContact CB-CG2 4.02Å; I173-T207 HydrophobicContact CD1-CG2 4.08Å; I173-T207 HydrophobicContact CG2-CG2 3.86Å; I173-V209 HydrophobicContact CG2-CG2 3.96Å
174	D	98.3	Very high	98.3	Very high	28 Å²	28	47 Å²	47	15%	0.15	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-33.1	-178.4	-77.1	-13.3	0	0	0	113.1	K104 A170 E171 T207 T208 V209	K104-D174 WeakPolarHBondContact CE-O 3.47Å; K104-D174 PolarHBondContact NZ-O 3.39Å; A170-D174 PolarHBondContact O-N 3.21Å; E171-D174 PolarHBondContact O-N 2.89Å; D174-T207 WeakPolarHBondContact OD1-CA 3.34Å; D174-T207 WeakPolarHBondContact OD1-CB 3.34Å; D174-T208 PolarHBondContact OD1-N 3.36Å; D174-T208 PolarHBondContact OD1-OG1 3.28Å; D174-T208 WeakPolarHBondContact OD2-CB 3.42Å; D174-T208 WeakPolarHBondContact OD2-CG2 3.19Å; D174-T208 PolarHBondContact OD2-N 3.27Å; D174-T208 PolarHBondContact OD2-OG1 3.45Å; D174-V209 HydrophobicContact CB-CG1 4.44Å; D174-V209 WeakPolarHBondContact OD1-CG2 3.2Å; D174-V209 PolarHBondContact OD1-N 2.91Å
175	E	97.8	Very high	98.2	Very high	157 Å²	157	45.6 Å²	45.6	73%	0.734	24%	0.239	S	C	*	.	H	α-helix	trans	-78	-38.6	175	-73.1	-179.7	-178.6	0	0	112.7	K104 E171 V172 I173	K104-E175 VanDerWaalsContact CE-C 3.42Å; K104-E175 WeakPolarHBondContact CE-O 3.37Å; E171-E175 WeakPolarHBondContact O-CG 3.48Å; E171-E175 PolarHBondContact O-N 2.97Å; V172-E175 PolarHBondContact O-N 3.23Å; I173-E175 VanDerWaalsContact C-N 3.3Å; I173-E175 PolarHBondContact O-N 3Å
176	A	97.9	Very high	98.2	Very high	43 Å²	43	39.6 Å²	39.6	36%	0.355	20%	0.204	S	C	.	.	H	α-helix	trans	-91	-30.8	-169	0	0	0	0	0	114.7	S108 V172 I173	S108-A176 WeakPolarHBondContact CB-O 3.33Å; S108-A176 PolarHBondContact OG-O 3.07Å; V172-A176 WeakPolarHBondContact O-CB 3.47Å; V172-A176 PolarHBondContact O-N 3.44Å; I173-A176 PolarHBondContact O-N 3.23Å
177	Y	98.6	Very high	98.1	Very high	22 Å²	22	33.5 Å²	33.5	9%	0.086	18%	0.175	C	C	.	.			trans	-119.3	149.7	-169.3	-56.1	-75.4	0	0	0	112.8	K104 L109 L110 I173 V209	K104-Y177 WeakPolarHBondContact CD-O 3.41Å; K104-Y177 WeakPolarHBondContact CE-O 3.4Å; K104-Y177 PolarHBondContact NZ-O 3.17Å; L109-Y177 VanDerWaalsContact C-CD1 3.49Å; L110-Y177 HydrophobicContact CB-CD1 3.9Å; L110-Y177 HydrophobicContact CB-CD2 3.91Å; L110-Y177 HydrophobicContact CB-CE1 4.09Å; L110-Y177 HydrophobicContact CB-CE2 4.09Å; L110-Y177 HydrophobicContact CB-CG 3.81Å; L110-Y177 HydrophobicContact CD2-CD2 4.35Å; L110-Y177 HydrophobicContact CD2-CE2 4.18Å; I173-Y177 HydrophobicContact CB-CD2 4.36Å; I173-Y177 HydrophobicContact CG2-CD2 4.06Å; I173-Y177 PolarHBondContact O-N 3.23Å; Y177-V209 VanDerWaalsContact O-CG1 3.29Å; Y177-V209 WeakPolarHBondContact O-CG1 3.5Å
178	N	98.6	Very high	97.8	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.059	19%	0.189	C	C	.	.	S	Bend	trans	-84.8	-26.5	173.9	-70.5	-83.9	0	0	0	113	L102 V103 K104 R106 S108 P210	L102-N178 HydrophobicContact CD2-CB 4.04Å; V103-N178 PolarHBondContact N-OD1 3.32Å; K104-N178 VanDerWaalsContact CB-OD1 3.3Å; K104-N178 WeakPolarHBondContact CB-OD1 3.24Å; K104-N178 PolarHBondContact N-OD1 3Å; R106-N178 PolarHBondContact O-ND2 3.21Å; S108-N178 PolarHBondContact N-ND2 2.56Å; S108-N178 PolarHBondContact O-N 2.99Å; S108-N178 PolarHBondContact O-ND2 2.88Å; N178-P210 WeakPolarHBondContact O-CD 3.29Å; N178-P210 WeakPolarHBondContact O-CG 3.49Å
179	L	98.7	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	142.6	-172	174.3	78.5	0	0	0	108.4	V93 Y97 L109 L110 I181 P210 A212	V93-L179 HydrophobicContact CG1-CD2 3.55Å; V93-L179 HydrophobicContact CG2-CD2 4.32Å; Y97-L179 HydrophobicContact CD2-CD1 4.13Å; Y97-L179 HydrophobicContact CD2-CD2 3.82Å; Y97-L179 HydrophobicContact CE1-CD1 4.34Å; Y97-L179 HydrophobicContact CE2-CD1 3.66Å; Y97-L179 HydrophobicContact CE2-CD2 4.05Å; Y97-L179 HydrophobicContact CG-CD2 4.46Å; L109-L179 WeakPolarHBondContact CA-O 3.32Å; L109-L179 HydrophobicContact CD2-CB 3.71Å; L109-L179 HydrophobicContact CD2-CD2 4.18Å; L109-L179 HydrophobicContact CD2-CG 4.5Å; L110-L179 PolarHBondContact N-O 3.25Å; L179-I181 HydrophobicContact CD2-CG1 4.21Å; L179-P210 HydrophobicContact CB-CG 4.45Å; L179-P210 HydrophobicContact CD1-CB 3.78Å; L179-P210 HydrophobicContact CD1-CG 3.78Å; L179-P210 WeakPolarHBondContact CD1-O 3.3Å; L179-A212 HydrophobicContact CD1-CB 4.08Å; L179-A212 HydrophobicContact CD2-CB 4.32Å
180	V	98.9	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.9	165.8	-177.2	0	0	0	0	109.6	L110 I112 I173 L204 V209 P210 V211 A212	L110-V180 HydrophobicContact CB-CG2 4.38Å; L110-V180 CarbonylContact O-C 3.17Å; L110-V180 WeakPolarHBondContact O-CA 3.34Å; I112-V180 HydrophobicContact CD1-CG1 3.81Å; I112-V180 HydrophobicContact CG1-CG1 4.18Å; I173-V180 HydrophobicContact CG2-CG2 3.58Å; V180-L204 HydrophobicContact CB-CD2 4.37Å; V180-L204 HydrophobicContact CG1-CD2 3.7Å; V180-L204 HydrophobicContact CG2-CD2 4.31Å; V180-V209 HydrophobicContact CG2-CG2 3.92Å; V180-P210 PolarHBondContact N-O 3.46Å; V180-V211 HydrophobicContact CB-CG2 4.37Å; V180-V211 CarbonylContact O-C 3.58Å; V180-V211 WeakPolarHBondContact O-CA 2.98Å; V180-A212 PolarHBondContact O-N 3.43Å
181	I	98.9	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.3	171.8	-54.8	-176.9	0	0	0	108.1	V93 L110 V111 I112 L129 L179 A183 A212 I214	V93-I181 HydrophobicContact CG1-CD1 4.5Å; V93-I181 HydrophobicContact CG2-CD1 4.07Å; L110-I181 PolarHBondContact O-N 3.35Å; V111-I181 HydrophobicContact CB-CB 4.42Å; V111-I181 HydrophobicContact CG1-CB 4.16Å; V111-I181 HydrophobicContact CG1-CG2 4.27Å; V111-I181 HydrophobicContact CG2-CB 4.23Å; V111-I181 HydrophobicContact CG2-CD1 4Å; V111-I181 HydrophobicContact CG2-CG1 4.37Å; I112-I181 PolarHBondContact N-O 3.31Å; L129-I181 HydrophobicContact CD1-CD1 3.29Å; L179-I181 HydrophobicContact CD2-CG1 4.21Å; I181-A183 PolarHBondContact O-N 3.47Å; I181-A212 CarbonylContact C-O 3.43Å; I181-A212 WeakPolarHBondContact CA-O 3.28Å; I181-I214 HydrophobicContact CG2-CD1 3.91Å; I181-I214 HydrophobicContact CG2-CG1 3.99Å
182	D	98.9	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	102	173.8	165.3	31.2	0	0	0	109.4	I184 V211 A212 S213 I214 S218	D182-I184 WeakPolarHBondContact OD1-CG1 3.49Å; D182-I184 PolarHBondContact OD1-N 3Å; D182-V211 HydrophobicContact CB-CG1 3.93Å; D182-A212 PolarHBondContact N-O 2.99Å; D182-S213 PolarHBondContact OD2-OG 3.1Å; D182-I214 PolarHBondContact O-N 2.97Å; D182-S218 VanDerWaalsContact CG-OG 3.25Å; D182-S218 WeakPolarHBondContact OD1-CB 3.15Å; D182-S218 PolarHBondContact OD1-OG 3.27Å; D182-S218 WeakPolarHBondContact OD2-CB 3.45Å; D182-S218 PolarHBondContact OD2-N 3.47Å; D182-S218 PolarHBondContact OD2-OG 3.43Å
183	A	98.9	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	33.6	176.4	0	0	0	0	0	110.5	I112 G114 N118 G119 I181 I214	I112-A183 CarbonylContact O-C 3.51Å; I112-A183 VanDerWaalsContact O-CA 3.3Å; I112-A183 WeakPolarHBondContact O-CA 3.47Å; I112-A183 WeakPolarHBondContact O-CB 3.43Å; I112-A183 PolarHBondContact O-N 3.31Å; G114-A183 PolarHBondContact N-O 3.44Å; N118-A183 CarbonylContact C-O 3.51Å; G119-A183 VanDerWaalsContact CA-O 3.27Å; G119-A183 WeakPolarHBondContact CA-O 3.38Å; G119-A183 PolarHBondContact N-O 2.86Å; I181-A183 PolarHBondContact O-N 3.47Å; A183-I214 HydrophobicContact CB-CD1 3.81Å; A183-I214 HydrophobicContact CB-CG1 4.42Å
184	I	98.6	Very high	94.6	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	26%	0.257	C	S	.	.	S	Bend	trans	-82.1	-63.7	-171.6	-52.3	166.6	0	0	0	110.8	I112 G114 D182 F197 I200 L201 L204 S218	I112-I184 HydrophobicContact CB-CD1 4.5Å; I112-I184 HydrophobicContact CB-CG1 4.26Å; I112-I184 HydrophobicContact CG2-CD1 3.9Å; I112-I184 HydrophobicContact CG2-CG1 3.76Å; I112-I184 PolarHBondContact O-N 2.63Å; G114-I184 VanDerWaalsContact CA-O 3.32Å; G114-I184 WeakPolarHBondContact CA-O 3.24Å; D182-I184 WeakPolarHBondContact OD1-CG1 3.49Å; D182-I184 PolarHBondContact OD1-N 3Å; I184-F197 HydrophobicContact CG2-CB 4.34Å; I184-F197 HydrophobicContact CG2-CD1 3.38Å; I184-F197 HydrophobicContact CG2-CE1 3.83Å; I184-F197 HydrophobicContact CG2-CG 3.97Å; I184-I200 HydrophobicContact CD1-CG2 3.84Å; I184-L201 HydrophobicContact CD1-CD2 3.89Å; I184-L204 HydrophobicContact CD1-CD1 4.23Å; I184-S218 WeakPolarHBondContact CB-OG 3.45Å
185	F	98.1	Very high	94.5	Very high	16 Å²	16	50.5 Å²	50.5	7%	0.07	28%	0.277	C	S	.	.			trans	-126.5	126.2	-175.4	-60.6	-51.5	0	0	0	111.2	P115 N118 F189 V193 F197 S218	P115-F185 HydrophobicContact CG-CE1 4.46Å; N118-F185 PolarHBondContact ND2-O 2.75Å; F185-F189 HydrophobicContact CB-CB 3.87Å; F185-F189 HydrophobicContact CB-CD1 4.33Å; F185-F189 HydrophobicContact CB-CD2 4.36Å; F185-F189 HydrophobicContact CB-CG 3.93Å; F185-F189 HydrophobicContact CD1-CB 4.35Å; F185-F189 AromaticContact CD1-CD2 3.42Å; F185-F189 HydrophobicContact CD1-CD2 3.42Å; F185-F189 VanDerWaalsContact CD1-CD2 3.42Å; F185-F189 AromaticContact CD1-CE2 3.82Å; F185-F189 HydrophobicContact CD1-CE2 3.82Å; F185-F189 AromaticContact CD1-CG 3.88Å; F185-F189 HydrophobicContact CD1-CG 3.88Å; F185-F189 HydrophobicContact CD2-CD1 4.43Å; F185-F189 HydrophobicContact CD2-CD2 4.43Å; F185-F189 HydrophobicContact CD2-CE1 4.42Å; F185-F189 HydrophobicContact CD2-CE2 4.42Å; F185-F189 HydrophobicContact CD2-CG 4.44Å; F185-F189 HydrophobicContact CD2-CZ 4.43Å; F185-F189 AromaticContact CE1-CD2 3.72Å; F185-F189 HydrophobicContact CE1-CD2 3.72Å; F185-F189 AromaticContact CE1-CE2 3.64Å; F185-F189 HydrophobicContact CE1-CE2 3.64Å; F185-F189 HydrophobicContact CE1-CZ 4.41Å; F185-F189 HydrophobicContact CE2-CE2 4.27Å; F185-F189 HydrophobicContact CE2-CZ 4.26Å; F185-F189 HydrophobicContact CG-CB 4.28Å; F185-F189 HydrophobicContact CG-CD1 4.22Å; F185-F189 AromaticContact CG-CD2 3.82Å; F185-F189 HydrophobicContact CG-CD2 3.82Å; F185-F189 HydrophobicContact CG-CE2 4.22Å; F185-F189 AromaticContact CG-CG 3.83Å; F185-F189 HydrophobicContact CG-CG 3.83Å; F185-F189 HydrophobicContact CZ-CD2 4.34Å; F185-F189 AromaticContact CZ-CE2 3.88Å; F185-F189 HydrophobicContact CZ-CE2 3.88Å; F185-F189 HydrophobicContact CZ-CZ 4.24Å; F185-V193 HydrophobicContact CE2-CG1 3.97Å; F185-V193 HydrophobicContact CE2-CG2 4.07Å; F185-V193 HydrophobicContact CZ-CG1 4.48Å; F185-F197 HydrophobicContact CE1-CD2 4.28Å; F185-F197 HydrophobicContact CE1-CG 4.49Å; F185-F197 HydrophobicContact CE2-CB 3.86Å; F185-F197 HydrophobicContact CE2-CG 4.25Å; F185-F197 HydrophobicContact CZ-CB 3.7Å; F185-F197 HydrophobicContact CZ-CD1 4.4Å; F185-F197 AromaticContact CZ-CD2 3.68Å; F185-F197 HydrophobicContact CZ-CD2 3.68Å; F185-F197 HydrophobicContact CZ-CE2 4.41Å; F185-F197 AromaticContact CZ-CG 3.67Å; F185-F197 HydrophobicContact CZ-CG 3.67Å; F185-S218 PolarHBondContact N-OG 2.95Å
186	G	95	Very high	94.5	Very high	13 Å²	13	44.8 Å²	44.8	13%	0.134	25%	0.253	C	S	.	.			trans	-97.4	-171.1	172.1	0	0	0	0	0	111.9	S188 F189	G186-S188 PolarHBondContact O-N 3.38Å; G186-F189 WeakPolarHBondContact O-CB 3.41Å; G186-F189 PolarHBondContact O-N 3.39Å; G186-F189 VanDerWaalsContact O-N 3.08Å
187	F	94.6	Very high	94.5	Very high	23 Å²	23	43.4 Å²	43.4	10%	0.101	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.8	-175.5	79.7	-86	0	0	0	116.2	Q60 A63 Q64 D67 F189 D215 I216 V222 K242	Q60-F187 WeakPolarHBondContact CG-O 3.43Å; Q60-F187 PolarHBondContact NE2-O 3.45Å; A63-F187 HydrophobicContact CB-CD2 3.5Å; A63-F187 VanDerWaalsContact CB-CD2 3.5Å; A63-F187 HydrophobicContact CB-CE2 3.7Å; A63-F187 HydrophobicContact CB-CG 4.08Å; A63-F187 HydrophobicContact CB-CZ 4.42Å; Q64-F187 HydrophobicContact CB-CE2 4.37Å; Q64-F187 HydrophobicContact CG-CD2 4.23Å; Q64-F187 HydrophobicContact CG-CE2 3.64Å; D67-F187 HydrophobicContact CB-CZ 4.15Å; D67-F187 WeakPolarHBondContact OD2-CE1 3.5Å; D67-F187 VanDerWaalsContact OD2-CZ 3.28Å; D67-F187 WeakPolarHBondContact OD2-CZ 3.43Å; F187-F189 VanDerWaalsContact C-N 3.3Å; F187-F189 PolarHBondContact O-N 3.32Å; F187-D215 WeakPolarHBondContact CD1-OD2 3.48Å; F187-D215 PolarHBondContact N-OD2 3.33Å; F187-I216 VanDerWaalsContact CA-CD1 3.48Å; F187-I216 HydrophobicContact CB-CD1 3.6Å; F187-I216 HydrophobicContact CB-CG1 4.42Å; F187-V222 HydrophobicContact CB-CG1 4.31Å; F187-V222 WeakPolarHBondContact O-CG2 3.44Å; F187-K242 HydrophobicContact CB-CD 4.24Å; F187-K242 HydrophobicContact CB-CG 4.12Å
188	S	90.9	Very high	94.4	Very high	67 Å²	67	43 Å²	43	47%	0.469	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.9	-179.4	60.5	0	0	0	0	113.8	G186	G186-S188 PolarHBondContact O-N 3.38Å
189	F	87.8	Confident	94.4	Very high	58 Å²	58	45.5 Å²	45.5	25%	0.254	26%	0.26	S	S	.	.			trans	-64.8	136.9	177.7	-178.3	-103.8	0	0	0	111.4	Q60 F185 G186 F187 G191 V193	Q60-F189 PolarHBondContact NE2-O 2.7Å; F185-F189 HydrophobicContact CB-CB 3.87Å; F185-F189 HydrophobicContact CB-CD1 4.33Å; F185-F189 HydrophobicContact CB-CD2 4.36Å; F185-F189 HydrophobicContact CB-CG 3.93Å; F185-F189 HydrophobicContact CD1-CB 4.35Å; F185-F189 AromaticContact CD1-CD2 3.42Å; F185-F189 HydrophobicContact CD1-CD2 3.42Å; F185-F189 VanDerWaalsContact CD1-CD2 3.42Å; F185-F189 AromaticContact CD1-CE2 3.82Å; F185-F189 HydrophobicContact CD1-CE2 3.82Å; F185-F189 AromaticContact CD1-CG 3.88Å; F185-F189 HydrophobicContact CD1-CG 3.88Å; F185-F189 HydrophobicContact CD2-CD1 4.43Å; F185-F189 HydrophobicContact CD2-CD2 4.43Å; F185-F189 HydrophobicContact CD2-CE1 4.42Å; F185-F189 HydrophobicContact CD2-CE2 4.42Å; F185-F189 HydrophobicContact CD2-CG 4.44Å; F185-F189 HydrophobicContact CD2-CZ 4.43Å; F185-F189 AromaticContact CE1-CD2 3.72Å; F185-F189 HydrophobicContact CE1-CD2 3.72Å; F185-F189 AromaticContact CE1-CE2 3.64Å; F185-F189 HydrophobicContact CE1-CE2 3.64Å; F185-F189 HydrophobicContact CE1-CZ 4.41Å; F185-F189 HydrophobicContact CE2-CE2 4.27Å; F185-F189 HydrophobicContact CE2-CZ 4.26Å; F185-F189 HydrophobicContact CG-CB 4.28Å; F185-F189 HydrophobicContact CG-CD1 4.22Å; F185-F189 AromaticContact CG-CD2 3.82Å; F185-F189 HydrophobicContact CG-CD2 3.82Å; F185-F189 HydrophobicContact CG-CE2 4.22Å; F185-F189 AromaticContact CG-CG 3.83Å; F185-F189 HydrophobicContact CG-CG 3.83Å; F185-F189 HydrophobicContact CZ-CD2 4.34Å; F185-F189 AromaticContact CZ-CE2 3.88Å; F185-F189 HydrophobicContact CZ-CE2 3.88Å; F185-F189 HydrophobicContact CZ-CZ 4.24Å; G186-F189 WeakPolarHBondContact O-CB 3.41Å; G186-F189 PolarHBondContact O-N 3.39Å; G186-F189 VanDerWaalsContact O-N 3.08Å; F187-F189 VanDerWaalsContact C-N 3.3Å; F187-F189 PolarHBondContact O-N 3.32Å; F189-G191 VanDerWaalsContact CE1-O 3.24Å; F189-G191 WeakPolarHBondContact CE1-O 3.49Å; F189-V193 HydrophobicContact CE1-CG2 4.1Å; F189-V193 HydrophobicContact CZ-CG2 4.15Å
190	K	81.5	Confident	94.4	Very high	128 Å²	128	45.6 Å²	45.6	56%	0.557	26%	0.261	S	S	*	.			trans	-138.6	143.1	178	-68.6	-173.1	177.7	-178	0	110.3	Q60	Q60-K190 VanDerWaalsContact OE1-CE 3.27Å
191	G	79.9	Confident	94.3	Very high	66 Å²	66	46.2 Å²	46.2	68%	0.68	26%	0.264	S	S	*	.	S	Bend	trans	88.6	-169.8	174.3	0	0	0	0	0	114	F189	F189-G191 VanDerWaalsContact CE1-O 3.24Å; F189-G191 WeakPolarHBondContact CE1-O 3.49Å
192	A	86.8	Confident	94.3	Very high	81 Å²	81	50.1 Å²	50.1	67%	0.669	29%	0.285	S	S	*	.			trans	-72.1	140.1	-176.5	0	0	0	0	0	112.1	R194	A192-R194 PolarHBondContact O-N 2.72Å
193	V	93.1	Very high	94.2	Very high	50 Å²	50	51 Å²	51	30%	0.303	29%	0.29	S	S	.	.			trans	-62.1	131	169.9	179.3	0	0	0	0	108.9	F185 F189 F197 L201	F185-V193 HydrophobicContact CE2-CG1 3.97Å; F185-V193 HydrophobicContact CE2-CG2 4.07Å; F185-V193 HydrophobicContact CZ-CG1 4.48Å; F189-V193 HydrophobicContact CE1-CG2 4.1Å; F189-V193 HydrophobicContact CZ-CG2 4.15Å; V193-F197 HydrophobicContact CG1-CB 3.83Å; V193-L201 HydrophobicContact CG1-CD1 4.05Å; V193-L201 HydrophobicContact CG2-CD1 4.12Å
194	R	94.6	Very high	94.2	Very high	203 Å²	203	51.2 Å²	51.2	77%	0.766	29%	0.291	S	S	*	.			trans	-112.8	156.4	178.8	-53.7	-176.5	-160.8	176	4.3	110.3	A192 F197	A192-R194 PolarHBondContact O-N 2.72Å; R194-F197 WeakPolarHBondContact O-CB 3.42Å; R194-F197 PolarHBondContact O-N 2.68Å
195	E	96.3	Very high	94.2	Very high	120 Å²	120	55.7 Å²	55.7	56%	0.561	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	144.7	173.7	-67.9	-51.4	134.2	0	0	112.7	F197 S199	E195-F197 VanDerWaalsContact C-N 3.34Å; E195-S199 VanDerWaalsContact CD-OG 3.28Å; E195-S199 PolarHBondContact OE1-N 3.41Å; E195-S199 PolarHBondContact OE1-OG 2.96Å; E195-S199 WeakPolarHBondContact OE2-CB 3.42Å; E195-S199 PolarHBondContact OE2-N 2.76Å; E195-S199 PolarHBondContact OE2-OG 3.5Å
196	P	97.6	Very high	94.2	Very high	37 Å²	37	61.7 Å²	61.7	24%	0.24	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	cis	-84	1.5	5.9	35	-36.8	0	0	0	114.4	P141 G198 S199 I200	P141-P196 HydrophobicContact CB-CG 3.77Å; P141-P196 HydrophobicContact CG-CG 4.42Å; P196-G198 VanDerWaalsContact C-N 3.34Å; P196-G198 PolarHBondContact O-N 3.39Å; P196-S199 PolarHBondContact O-N 3.3Å; P196-I200 HydrophobicContact CB-CD1 4.33Å; P196-I200 HydrophobicContact CG-CD1 4.37Å; P196-I200 VanDerWaalsContact O-CG1 3.28Å; P196-I200 WeakPolarHBondContact O-CG1 3.43Å; P196-I200 PolarHBondContact O-N 3.39Å; P196-I200 VanDerWaalsContact O-N 3.12Å
197	F	97.9	Very high	94.3	Very high	13 Å²	13	62 Å²	62	6%	0.057	34%	0.336	C	S	.	.	H	α-helix	trans	-73.7	-24.8	-169.3	-57.6	-69.2	0	0	0	113.4	P115 P141 K142 I184 F185 V193 R194 E195 I200 L201	P115-F197 HydrophobicContact CB-CZ 4.49Å; P115-F197 HydrophobicContact CG-CE2 3.98Å; P115-F197 HydrophobicContact CG-CZ 4.08Å; P141-F197 HydrophobicContact CG-CE1 4.46Å; K142-F197 HydrophobicContact CB-CE2 4.3Å; K142-F197 HydrophobicContact CB-CZ 3.96Å; K142-F197 HydrophobicContact CG-CE2 3.92Å; K142-F197 HydrophobicContact CG-CZ 3.88Å; I184-F197 HydrophobicContact CG2-CB 4.34Å; I184-F197 HydrophobicContact CG2-CD1 3.38Å; I184-F197 HydrophobicContact CG2-CE1 3.83Å; I184-F197 HydrophobicContact CG2-CG 3.97Å; F185-F197 HydrophobicContact CE1-CD2 4.28Å; F185-F197 HydrophobicContact CE1-CG 4.49Å; F185-F197 HydrophobicContact CE2-CB 3.86Å; F185-F197 HydrophobicContact CE2-CG 4.25Å; F185-F197 HydrophobicContact CZ-CB 3.7Å; F185-F197 HydrophobicContact CZ-CD1 4.4Å; F185-F197 AromaticContact CZ-CD2 3.68Å; F185-F197 HydrophobicContact CZ-CD2 3.68Å; F185-F197 HydrophobicContact CZ-CE2 4.41Å; F185-F197 AromaticContact CZ-CG 3.67Å; F185-F197 HydrophobicContact CZ-CG 3.67Å; V193-F197 HydrophobicContact CG1-CB 3.83Å; R194-F197 WeakPolarHBondContact O-CB 3.42Å; R194-F197 PolarHBondContact O-N 2.68Å; E195-F197 VanDerWaalsContact C-N 3.34Å; F197-I200 HydrophobicContact CD1-CD1 4.08Å; F197-I200 PolarHBondContact O-N 2.83Å; F197-L201 WeakPolarHBondContact O-CB 3.34Å; F197-L201 WeakPolarHBondContact O-CG 3.39Å; F197-L201 PolarHBondContact O-N 3.3Å
198	G	97.1	Very high	94.4	Very high	14 Å²	14	66.6 Å²	66.6	14%	0.144	37%	0.366	C	S	.	.	H	α-helix	trans	-59.6	-57.2	171.8	0	0	0	0	0	110.7	P196 I200 L201 D202	P196-G198 VanDerWaalsContact C-N 3.34Å; P196-G198 PolarHBondContact O-N 3.39Å; G198-I200 VanDerWaalsContact C-N 3.31Å; G198-I200 PolarHBondContact O-N 2.86Å; G198-L201 PolarHBondContact O-N 2.91Å; G198-D202 PolarHBondContact O-N 3.29Å
199	S	97.9	Very high	94.8	Very high	63 Å²	63	64 Å²	64	44%	0.441	35%	0.348	S	S	.	.	H	α-helix	trans	-56.3	-41.3	175.9	-55.4	0	0	0	0	113.2	E195 P196 D202 V203	E195-S199 VanDerWaalsContact CD-OG 3.28Å; E195-S199 PolarHBondContact OE1-N 3.41Å; E195-S199 PolarHBondContact OE1-OG 2.96Å; E195-S199 WeakPolarHBondContact OE2-CB 3.42Å; E195-S199 PolarHBondContact OE2-N 2.76Å; E195-S199 PolarHBondContact OE2-OG 3.5Å; P196-S199 PolarHBondContact O-N 3.3Å; S199-D202 PolarHBondContact O-N 3.05Å; S199-V203 WeakPolarHBondContact O-CG2 3.17Å; S199-V203 PolarHBondContact O-N 2.75Å; S199-V203 VanDerWaalsContact O-N 3.07Å
200	I	98.6	Very high	95.3	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-47.1	177.7	-69.7	168	0	0	0	111.1	I112 L139 P141 M167 I184 P196 F197 G198 D202 V203 L204	I112-I200 HydrophobicContact CD1-CG2 4.26Å; I112-I200 HydrophobicContact CG2-CG2 3.98Å; L139-I200 HydrophobicContact CD2-CD1 4.27Å; P141-I200 HydrophobicContact CG-CD1 3.74Å; M167-I200 HydrophobicContact CB-CG1 4.09Å; M167-I200 HydrophobicContact CE-CG2 4.1Å; M167-I200 HydrophobicContact CG-CG1 4.08Å; M167-I200 HydrophobicContact SD-CG1 4.35Å; M167-I200 HydrophobicContact SD-CG2 4.12Å; I184-I200 HydrophobicContact CD1-CG2 3.84Å; P196-I200 HydrophobicContact CB-CD1 4.33Å; P196-I200 HydrophobicContact CG-CD1 4.37Å; P196-I200 VanDerWaalsContact O-CG1 3.28Å; P196-I200 WeakPolarHBondContact O-CG1 3.43Å; P196-I200 PolarHBondContact O-N 3.39Å; P196-I200 VanDerWaalsContact O-N 3.12Å; F197-I200 HydrophobicContact CD1-CD1 4.08Å; F197-I200 PolarHBondContact O-N 2.83Å; G198-I200 VanDerWaalsContact C-N 3.31Å; G198-I200 PolarHBondContact O-N 2.86Å; I200-D202 VanDerWaalsContact C-N 3.28Å; I200-D202 PolarHBondContact O-N 3.47Å; I200-V203 PolarHBondContact O-N 2.8Å; I200-L204 HydrophobicContact CG2-CD1 4.4Å; I200-L204 WeakPolarHBondContact O-CG 3.46Å; I200-L204 PolarHBondContact O-N 3.44Å
201	L	98	Very high	96.1	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-37.5	178.3	-68.6	176.3	0	0	0	111.2	I184 V193 F197 G198 V203 L204 K205 L230	I184-L201 HydrophobicContact CD1-CD2 3.89Å; V193-L201 HydrophobicContact CG1-CD1 4.05Å; V193-L201 HydrophobicContact CG2-CD1 4.12Å; F197-L201 WeakPolarHBondContact O-CB 3.34Å; F197-L201 WeakPolarHBondContact O-CG 3.39Å; F197-L201 PolarHBondContact O-N 3.3Å; G198-L201 PolarHBondContact O-N 2.91Å; L201-V203 VanDerWaalsContact C-N 3.31Å; L201-V203 PolarHBondContact O-N 2.83Å; L201-L204 HydrophobicContact CD2-CD1 4.48Å; L201-L204 PolarHBondContact O-N 3.49Å; L201-K205 WeakPolarHBondContact O-CG 3.32Å; L201-K205 PolarHBondContact O-N 3.34Å; L201-L230 HydrophobicContact CD2-CD1 3.54Å; L201-L230 HydrophobicContact CD2-CG 4.1Å
202	D	97.8	Very high	97	Very high	83 Å²	83	54.2 Å²	54.2	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-33.2	176.6	-74.2	-17.6	0	0	0	112.9	G198 S199 I200 K206	G198-D202 PolarHBondContact O-N 3.29Å; S199-D202 PolarHBondContact O-N 3.05Å; I200-D202 VanDerWaalsContact C-N 3.28Å; I200-D202 PolarHBondContact O-N 3.47Å; D202-K206 WeakPolarHBondContact O-CD 3.3Å; D202-K206 WeakPolarHBondContact O-CE 3.44Å; D202-K206 WeakPolarHBondContact O-CG 3.48Å
203	V	98.4	Very high	97.6	Very high	18 Å²	18	50.4 Å²	50.4	11%	0.109	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-46.5	170.8	175	0	0	0	0	110.5	M167 A170 I173 S199 I200 L201 K205 K206 T207	M167-V203 HydrophobicContact CE-CB 3.84Å; M167-V203 HydrophobicContact CE-CG1 3.6Å; M167-V203 HydrophobicContact CG-CB 4.39Å; M167-V203 HydrophobicContact CG-CG1 4.42Å; M167-V203 HydrophobicContact CG-CG2 4.36Å; A170-V203 HydrophobicContact CB-CG1 4.06Å; I173-V203 HydrophobicContact CD1-CG1 3.9Å; S199-V203 WeakPolarHBondContact O-CG2 3.17Å; S199-V203 PolarHBondContact O-N 2.75Å; S199-V203 VanDerWaalsContact O-N 3.07Å; I200-V203 PolarHBondContact O-N 2.8Å; L201-V203 VanDerWaalsContact C-N 3.31Å; L201-V203 PolarHBondContact O-N 2.83Å; V203-K205 VanDerWaalsContact C-N 3.26Å; V203-K205 PolarHBondContact O-N 2.81Å; V203-K206 WeakPolarHBondContact O-CA 3.43Å; V203-K206 WeakPolarHBondContact O-CB 3.22Å; V203-K206 PolarHBondContact O-N 3.34Å; V203-T207 PolarHBondContact O-N 3.01Å
204	L	98.2	Very high	97.9	Very high	4 Å²	4	48 Å²	48	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-30.8	179.9	-70.2	-177.2	0	0	0	113.8	I112 M167 V180 I184 I200 L201 K206 T207 L230	I112-L204 HydrophobicContact CD1-CD1 4.01Å; I112-L204 HydrophobicContact CD1-CD2 3.74Å; I112-L204 HydrophobicContact CD1-CG 4.19Å; M167-L204 HydrophobicContact CE-CD2 3.84Å; M167-L204 HydrophobicContact CE-CG 4.07Å; V180-L204 HydrophobicContact CB-CD2 4.37Å; V180-L204 HydrophobicContact CG1-CD2 3.7Å; V180-L204 HydrophobicContact CG2-CD2 4.31Å; I184-L204 HydrophobicContact CD1-CD1 4.23Å; I200-L204 HydrophobicContact CG2-CD1 4.4Å; I200-L204 WeakPolarHBondContact O-CG 3.46Å; I200-L204 PolarHBondContact O-N 3.44Å; L201-L204 HydrophobicContact CD2-CD1 4.48Å; L201-L204 PolarHBondContact O-N 3.49Å; L204-K206 PolarHBondContact O-N 3.18Å; L204-T207 PolarHBondContact O-N 3.22Å; L204-T207 PolarHBondContact O-OG1 2.75Å; L204-L230 HydrophobicContact CB-CD2 3.57Å; L204-L230 HydrophobicContact CD1-CD1 4.26Å
205	K	97.6	Very high	98.1	Very high	96 Å²	96	38.7 Å²	38.7	42%	0.417	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.8	173.3	-70.6	178.2	-163	-172.4	0	113.3	L201 V203 D228 L230	L201-K205 WeakPolarHBondContact O-CG 3.32Å; L201-K205 PolarHBondContact O-N 3.34Å; V203-K205 VanDerWaalsContact C-N 3.26Å; V203-K205 PolarHBondContact O-N 2.81Å; K205-D228 WeakPolarHBondContact CE-O 3.01Å; K205-D228 PolarHBondContact NZ-O 2.66Å; K205-L230 HydrophobicContact CG-CD2 3.79Å
206	K	97.9	Very high	98.1	Very high	142 Å²	142	33.1 Å²	33.1	62%	0.617	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-13.9	-177	-61.1	169.6	-170.5	171.2	0	113.2	A170 D202 V203 L204	A170-K206 HydrophobicContact CB-CB 3.83Å; D202-K206 WeakPolarHBondContact O-CD 3.3Å; D202-K206 WeakPolarHBondContact O-CE 3.44Å; D202-K206 WeakPolarHBondContact O-CG 3.48Å; V203-K206 WeakPolarHBondContact O-CA 3.43Å; V203-K206 WeakPolarHBondContact O-CB 3.22Å; V203-K206 PolarHBondContact O-N 3.34Å; L204-K206 PolarHBondContact O-N 3.18Å
207	T	97.9	Very high	98.2	Very high	19 Å²	19	31.4 Å²	31.4	12%	0.117	17%	0.173	C	C	.	.			trans	-69.9	146.3	177.8	57.5	0	0	0	0	111	A170 I173 D174 V203 L204	A170-T207 HydrophobicContact CB-CG2 4.02Å; I173-T207 HydrophobicContact CB-CG2 4.02Å; I173-T207 HydrophobicContact CD1-CG2 4.08Å; I173-T207 HydrophobicContact CG2-CG2 3.86Å; D174-T207 WeakPolarHBondContact OD1-CA 3.34Å; D174-T207 WeakPolarHBondContact OD1-CB 3.34Å; V203-T207 PolarHBondContact O-N 3.01Å; L204-T207 PolarHBondContact O-N 3.22Å; L204-T207 PolarHBondContact O-OG1 2.75Å
208	T	97.8	Very high	98.2	Very high	121 Å²	121	30.9 Å²	30.9	74%	0.742	17%	0.171	S	C	*	.			trans	-99.6	-18.9	176.5	62.1	0	0	0	0	113	D174	D174-T208 PolarHBondContact OD1-N 3.36Å; D174-T208 PolarHBondContact OD1-OG1 3.28Å; D174-T208 WeakPolarHBondContact OD2-CB 3.42Å; D174-T208 WeakPolarHBondContact OD2-CG2 3.19Å; D174-T208 PolarHBondContact OD2-N 3.27Å; D174-T208 PolarHBondContact OD2-OG1 3.45Å
209	V	97.9	Very high	98	Very high	13 Å²	13	31.8 Å²	31.8	8%	0.079	18%	0.18	C	C	.	.	S	Bend	trans	-65.6	149.4	170.6	-65.8	0	0	0	0	110.8	I173 D174 Y177 V180	I173-V209 HydrophobicContact CG2-CG2 3.96Å; D174-V209 HydrophobicContact CB-CG1 4.44Å; D174-V209 WeakPolarHBondContact OD1-CG2 3.2Å; D174-V209 PolarHBondContact OD1-N 2.91Å; Y177-V209 VanDerWaalsContact O-CG1 3.29Å; Y177-V209 WeakPolarHBondContact O-CG1 3.5Å; V180-V209 HydrophobicContact CG2-CG2 3.92Å
210	P	98.5	Very high	98	Very high	34 Å²	34	29.6 Å²	29.6	22%	0.221	16%	0.162	C	C	.	.			trans	-58.7	149.9	177.8	23.1	-33.4	0	0	0	111.7	Y97 N178 L179 V180 D233	Y97-P210 HydrophobicContact CE1-CB 4.05Å; Y97-P210 HydrophobicContact CE1-CG 3.94Å; N178-P210 WeakPolarHBondContact O-CD 3.29Å; N178-P210 WeakPolarHBondContact O-CG 3.49Å; L179-P210 HydrophobicContact CB-CG 4.45Å; L179-P210 HydrophobicContact CD1-CB 3.78Å; L179-P210 HydrophobicContact CD1-CG 3.78Å; L179-P210 WeakPolarHBondContact CD1-O 3.3Å; V180-P210 PolarHBondContact N-O 3.46Å; P210-D233 HydrophobicContact CB-CB 3.93Å
211	V	98.9	Very high	97.8	Very high	12 Å²	12	33 Å²	33	7%	0.073	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.4	172	-179	0	0	0	0	108.9	V180 D182 P232 D233 M234	V180-V211 HydrophobicContact CB-CG2 4.37Å; V180-V211 CarbonylContact O-C 3.58Å; V180-V211 WeakPolarHBondContact O-CA 2.98Å; D182-V211 HydrophobicContact CB-CG1 3.93Å; V211-P232 HydrophobicContact CB-CB 4.26Å; V211-P232 HydrophobicContact CG1-CB 4.22Å; V211-P232 CarbonylContact O-C 3.5Å; V211-P232 WeakPolarHBondContact O-CA 2.94Å; V211-P232 VanDerWaalsContact O-CB 3.31Å; V211-P232 WeakPolarHBondContact O-CB 3.48Å; V211-D233 PolarHBondContact O-N 3.32Å; V211-M234 PolarHBondContact O-N 3.43Å; V211-M234 VanDerWaalsContact O-N 3.1Å
212	A	98.9	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.8	171.1	0	0	0	0	0	109.8	V93 L179 V180 I181 D182 M234	V93-A212 HydrophobicContact CG2-CB 4.34Å; L179-A212 HydrophobicContact CD1-CB 4.08Å; L179-A212 HydrophobicContact CD2-CB 4.32Å; V180-A212 PolarHBondContact O-N 3.43Å; I181-A212 CarbonylContact C-O 3.43Å; I181-A212 WeakPolarHBondContact CA-O 3.28Å; D182-A212 PolarHBondContact N-O 2.99Å; A212-M234 CarbonylContact C-O 3.53Å; A212-M234 WeakPolarHBondContact CA-O 3.27Å; A212-M234 HydrophobicContact CB-CB 3.88Å; A212-M234 HydrophobicContact CB-CG 4.17Å; A212-M234 HydrophobicContact CB-SD 4.05Å
213	S	98.9	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.9	179.2	-66.9	0	0	0	0	111.7	D182 P217 M234 I236	D182-S213 PolarHBondContact OD2-OG 3.1Å; S213-P217 WeakPolarHBondContact OG-CA 3.41Å; S213-M234 PolarHBondContact N-O 3Å; S213-I236 PolarHBondContact O-N 3.49Å
214	I	98.9	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.6	172.3	-58	-176.3	0	0	0	108.6	C89 N118 D121 C125 I181 D182 A183 I216 L238	C89-I214 HydrophobicContact CB-CD1 4.05Å; C89-I214 HydrophobicContact CB-CG1 4.34Å; N118-I214 PolarHBondContact ND2-O 3.37Å; N118-I214 WeakPolarHBondContact OD1-CG2 3.27Å; N118-I214 PolarHBondContact OD1-O 3.31Å; D121-I214 HydrophobicContact CB-CG2 4.22Å; C125-I214 HydrophobicContact CB-CD1 4.33Å; I181-I214 HydrophobicContact CG2-CD1 3.91Å; I181-I214 HydrophobicContact CG2-CG1 3.99Å; D182-I214 PolarHBondContact O-N 2.97Å; A183-I214 HydrophobicContact CB-CD1 3.81Å; A183-I214 HydrophobicContact CB-CG1 4.42Å; I214-I216 PolarHBondContact O-N 2.87Å; I214-L238 HydrophobicContact CG2-CD1 3.82Å; I214-L238 HydrophobicContact CG2-CG 4.49Å
215	D	98.4	Very high	97.2	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	21%	0.205	C	C	.	.	S	Bend	trans	69	-59.7	176.7	-157.7	47.5	0	0	0	116	F187 I236 L238 K242	F187-D215 WeakPolarHBondContact CD1-OD2 3.48Å; F187-D215 PolarHBondContact N-OD2 3.33Å; D215-I236 WeakPolarHBondContact CA-O 3.37Å; D215-I236 PolarHBondContact N-O 2.95Å; D215-L238 HydrophobicContact CB-CD1 4.25Å; D215-L238 HydrophobicContact CB-CG 4.43Å; D215-L238 WeakPolarHBondContact OD1-CB 3.17Å; D215-L238 PolarHBondContact OD1-N 3.01Å; D215-L238 VanDerWaalsContact OD1-N 3.13Å; D215-K242 WeakPolarHBondContact OD1-CE 3.33Å; D215-K242 IonicContact OD1-NZ 3.6Å; D215-K242 PolarHBondContact OD1-NZ 3.43Å; D215-K242 WeakPolarHBondContact OD2-CE 3.44Å; D215-K242 IonicContact OD2-NZ 3.68Å; D215-K242 PolarHBondContact OD2-NZ 2.91Å
216	I	97.7	Very high	97	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-143	142.1	177.9	-58.6	-173.5	0	0	0	108.1	F187 I214 S218 W220 V222 K242	F187-I216 VanDerWaalsContact CA-CD1 3.48Å; F187-I216 HydrophobicContact CB-CD1 3.6Å; F187-I216 HydrophobicContact CB-CG1 4.42Å; I214-I216 PolarHBondContact O-N 2.87Å; I216-S218 PolarHBondContact O-N 2.49Å; I216-W220 HydrophobicContact CG2-CB 4.04Å; I216-V222 HydrophobicContact CD1-CB 4.03Å; I216-V222 HydrophobicContact CD1-CG1 3.71Å; I216-V222 HydrophobicContact CD1-CG2 3.76Å; I216-K242 HydrophobicContact CD1-CB 3.96Å; I216-K242 HydrophobicContact CD1-CG 3.93Å; I216-K242 HydrophobicContact CG1-CB 4.24Å; I216-K242 HydrophobicContact CG1-CG 4.45Å
217	P	98.1	Very high	96.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	21%	0.208	C	C	.	.			trans	-59.8	123	170.7	-18.8	32.5	0	0	0	111.1	S213 G219 W220 P232 L235	S213-P217 WeakPolarHBondContact OG-CA 3.41Å; P217-G219 PolarHBondContact O-N 3.28Å; P217-W220 HydrophobicContact CB-CD2 3.84Å; P217-W220 HydrophobicContact CB-CE3 4.46Å; P217-W220 HydrophobicContact CB-CG 3.85Å; P217-W220 HydrophobicContact CB-CZ2 4.49Å; P217-W220 HydrophobicContact CG-CD2 3.81Å; P217-W220 HydrophobicContact CG-CE3 3.92Å; P217-W220 HydrophobicContact CG-CG 4.27Å; P217-W220 HydrophobicContact CG-CH2 4.43Å; P217-W220 HydrophobicContact CG-CZ2 4.28Å; P217-W220 HydrophobicContact CG-CZ3 4.24Å; P217-W220 VanDerWaalsContact O-CB 3.24Å; P217-W220 WeakPolarHBondContact O-CB 3.28Å; P217-W220 PolarHBondContact O-N 2.94Å; P217-P232 HydrophobicContact CB-CG 3.84Å; P217-P232 HydrophobicContact CG-CG 3.62Å; P217-L235 HydrophobicContact CG-CD1 4.29Å
218	S	98.1	Very high	96.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	132.9	-173.2	-68.9	0	0	0	0	112.2	D182 I184 F185 I216	D182-S218 VanDerWaalsContact CG-OG 3.25Å; D182-S218 WeakPolarHBondContact OD1-CB 3.15Å; D182-S218 PolarHBondContact OD1-OG 3.27Å; D182-S218 WeakPolarHBondContact OD2-CB 3.45Å; D182-S218 PolarHBondContact OD2-N 3.47Å; D182-S218 PolarHBondContact OD2-OG 3.43Å; I184-S218 WeakPolarHBondContact CB-OG 3.45Å; F185-S218 PolarHBondContact N-OG 2.95Å; I216-S218 PolarHBondContact O-N 2.49Å
219	G	94.6	Very high	95.9	Very high	33 Å²	33	33.7 Å²	33.7	34%	0.34	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-5.2	-175	0	0	0	0	0	114.6	P217	P217-G219 PolarHBondContact O-N 3.28Å
220	W	96	Very high	95.8	Very high	17 Å²	17	33.3 Å²	33.3	6%	0.064	20%	0.201	C	C	.	.	S	Bend	trans	-76.9	147.1	170.4	-74.7	31.4	0	0	0	111.6	I216 P217 L230 L247	I216-W220 HydrophobicContact CG2-CB 4.04Å; P217-W220 HydrophobicContact CB-CD2 3.84Å; P217-W220 HydrophobicContact CB-CE3 4.46Å; P217-W220 HydrophobicContact CB-CG 3.85Å; P217-W220 HydrophobicContact CB-CZ2 4.49Å; P217-W220 HydrophobicContact CG-CD2 3.81Å; P217-W220 HydrophobicContact CG-CE3 3.92Å; P217-W220 HydrophobicContact CG-CG 4.27Å; P217-W220 HydrophobicContact CG-CH2 4.43Å; P217-W220 HydrophobicContact CG-CZ2 4.28Å; P217-W220 HydrophobicContact CG-CZ3 4.24Å; P217-W220 VanDerWaalsContact O-CB 3.24Å; P217-W220 WeakPolarHBondContact O-CB 3.28Å; P217-W220 PolarHBondContact O-N 2.94Å; W220-L230 VanDerWaalsContact CE2-O 3.29Å; W220-L230 VanDerWaalsContact CZ2-O 3.25Å; W220-L230 WeakPolarHBondContact CZ2-O 3.46Å; W220-L230 PolarHBondContact NE1-O 3.48Å; W220-L247 HydrophobicContact CZ3-CB 4.1Å
221	D	96	Very high	95.7	Very high	75 Å²	75	37 Å²	37	40%	0.401	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-66.2	139.4	160.6	-176.8	-87.7	0	0	0	109.4	E223 Q224 G225 S244	D221-E223 PolarHBondContact O-N 3.12Å; D221-E223 PolarHBondContact OD1-N 2.86Å; D221-Q224 HydrophobicContact CB-CB 4.06Å; D221-Q224 PolarHBondContact OD1-N 3.16Å; D221-G225 WeakPolarHBondContact CB-O 3.07Å; D221-G225 PolarHBondContact N-O 3.08Å; D221-G225 VanDerWaalsContact O-CA 3.31Å; D221-G225 WeakPolarHBondContact O-CA 3.43Å; D221-G225 PolarHBondContact O-N 3.23Å; D221-S244 WeakPolarHBondContact O-CB 2.99Å
222	V	94.6	Very high	95.7	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.042	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.3	-174	178.4	0	0	0	0	112.8	Q60 F187 I216 K242 S244	Q60-V222 HydrophobicContact CB-CB 4.05Å; Q60-V222 HydrophobicContact CB-CG1 3.79Å; Q60-V222 HydrophobicContact CB-CG2 4.45Å; Q60-V222 HydrophobicContact CG-CB 4.29Å; Q60-V222 HydrophobicContact CG-CG1 4.16Å; Q60-V222 HydrophobicContact CG-CG2 4.14Å; F187-V222 HydrophobicContact CB-CG1 4.31Å; F187-V222 WeakPolarHBondContact O-CG2 3.44Å; I216-V222 HydrophobicContact CD1-CB 4.03Å; I216-V222 HydrophobicContact CD1-CG1 3.71Å; I216-V222 HydrophobicContact CD1-CG2 3.76Å; V222-K242 HydrophobicContact CG1-CB 4.09Å; V222-K242 HydrophobicContact CG1-CG 3.71Å; V222-S244 WeakPolarHBondContact O-CB 3.43Å; V222-S244 PolarHBondContact O-N 2.87Å; V222-S244 PolarHBondContact O-OG 3.21Å
223	E	95.6	Very high	95.7	Very high	69 Å²	69	38 Å²	38	32%	0.322	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-38.4	-178.8	-56.3	-164.6	-156.6	0	0	112.9	G59 Q60 D221 K243	G59-E223 VanDerWaalsContact CA-OE1 3.24Å; G59-E223 WeakPolarHBondContact CA-OE1 3.38Å; Q60-E223 PolarHBondContact N-OE1 2.88Å; D221-E223 PolarHBondContact O-N 3.12Å; D221-E223 PolarHBondContact OD1-N 2.86Å; E223-K243 HydrophobicContact CB-CB 4.04Å; E223-K243 HydrophobicContact CB-CD 4.14Å; E223-K243 HydrophobicContact CG-CB 4.19Å; E223-K243 HydrophobicContact CG-CD 4.02Å; E223-K243 VanDerWaalsContact OE2-CD 3.25Å; E223-K243 WeakPolarHBondContact OE2-CD 3.41Å; E223-K243 IonicContact OE2-NZ 2.73Å; E223-K243 PolarHBondContact OE2-NZ 3.16Å
224	Q	95.7	Very high	95.7	Very high	155 Å²	155	38 Å²	38	72%	0.724	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-6.3	-172.8	-57.7	176.5	48.5	0	0	113.2	D221 L247	D221-Q224 HydrophobicContact CB-CB 4.06Å; D221-Q224 PolarHBondContact OD1-N 3.16Å; Q224-L247 VanDerWaalsContact C-CD1 3.42Å; Q224-L247 WeakPolarHBondContact O-CD1 3.38Å
225	G	94.3	Very high	95.7	Very high	7 Å²	7	38 Å²	38	7%	0.072	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	64.8	-148.6	-177.8	0	0	0	0	0	112.7	D221	D221-G225 WeakPolarHBondContact CB-O 3.07Å; D221-G225 PolarHBondContact N-O 3.08Å; D221-G225 VanDerWaalsContact O-CA 3.31Å; D221-G225 WeakPolarHBondContact O-CA 3.43Å; D221-G225 PolarHBondContact O-N 3.23Å
226	S	92.4	Very high	95.7	Very high	30 Å²	30	37.7 Å²	37.7	21%	0.21	22%	0.219	C	C	.	.			trans	-152.6	135.2	172.5	171.7	0	0	0	0	110.3	D228 G229	S226-D228 PolarHBondContact OG-OD1 3.45Å; S226-D228 VanDerWaalsContact OG-OD1 3.13Å; S226-G229 VanDerWaalsContact OG-CA 3.23Å; S226-G229 WeakPolarHBondContact OG-CA 3.17Å; S226-G229 PolarHBondContact OG-N 3.12Å
227	A	88.4	Confident	95.8	Very high	106 Å²	106	37.5 Å²	37.5	88%	0.876	22%	0.218	S	C	*	.	S	Bend	trans	-78.4	-29.4	-179.9	0	0	0	0	0	113
228	D	89.7	Confident	95.8	Very high	124 Å²	124	38 Å²	38	66%	0.663	22%	0.221	S	C	*	.	S	Bend	trans	-118	10.1	-176.3	66.9	-36.5	0	0	0	112.6	K205 S226	K205-D228 WeakPolarHBondContact CE-O 3.01Å; K205-D228 PolarHBondContact NZ-O 2.66Å; S226-D228 PolarHBondContact OG-OD1 3.45Å; S226-D228 VanDerWaalsContact OG-OD1 3.13Å
229	G	92.8	Very high	95.8	Very high	11 Å²	11	38.5 Å²	38.5	11%	0.113	22%	0.224	C	C	.	.	S	Bend	trans	-79.2	-176.5	178.4	0	0	0	0	0	112.7	S226	S226-G229 VanDerWaalsContact OG-CA 3.23Å; S226-G229 WeakPolarHBondContact OG-CA 3.17Å; S226-G229 PolarHBondContact OG-N 3.12Å
230	L	95.3	Very high	96	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.207	C	C	.	.			trans	-53.5	143.5	173.1	-68.4	179.2	0	0	0	111.1	L201 L204 K205 W220 P232	L201-L230 HydrophobicContact CD2-CD1 3.54Å; L201-L230 HydrophobicContact CD2-CG 4.1Å; L204-L230 HydrophobicContact CB-CD2 3.57Å; L204-L230 HydrophobicContact CD1-CD1 4.26Å; K205-L230 HydrophobicContact CG-CD2 3.79Å; W220-L230 VanDerWaalsContact CE2-O 3.29Å; W220-L230 VanDerWaalsContact CZ2-O 3.25Å; W220-L230 WeakPolarHBondContact CZ2-O 3.46Å; W220-L230 PolarHBondContact NE1-O 3.48Å; L230-P232 VanDerWaalsContact C-CD 3.49Å; L230-P232 WeakPolarHBondContact O-CD 3.37Å
231	Q	96.9	Very high	96.1	Very high	113 Å²	113	36.1 Å²	36.1	53%	0.528	20%	0.204	S	C	.	.			trans	-116.9	77.3	173.8	-63.3	-60.4	-45.9	0	0	108.2
232	P	98.3	Very high	96.2	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.026	19%	0.186	C	C	.	.			trans	-66.9	147.4	-177.5	27.3	-31.8	0	0	0	110.6	V211 P217 L230 M234 F248	V211-P232 HydrophobicContact CB-CB 4.26Å; V211-P232 HydrophobicContact CG1-CB 4.22Å; V211-P232 CarbonylContact O-C 3.5Å; V211-P232 WeakPolarHBondContact O-CA 2.94Å; V211-P232 VanDerWaalsContact O-CB 3.31Å; V211-P232 WeakPolarHBondContact O-CB 3.48Å; P217-P232 HydrophobicContact CB-CG 3.84Å; P217-P232 HydrophobicContact CG-CG 3.62Å; L230-P232 VanDerWaalsContact C-CD 3.49Å; L230-P232 WeakPolarHBondContact O-CD 3.37Å; P232-M234 VanDerWaalsContact C-N 3.32Å; P232-F248 HydrophobicContact CG-CD2 4.37Å; P232-F248 HydrophobicContact CG-CE2 4.1Å; P232-F248 VanDerWaalsContact O-CE2 3.23Å; P232-F248 WeakPolarHBondContact O-CE2 3.28Å
233	D	98.8	Very high	96.4	Very high	27 Å²	27	36.2 Å²	36.2	14%	0.144	20%	0.201	C	C	.	.	S	Bend	trans	-78.6	-25.3	173.3	-174	58.4	0	0	0	111.8	Y97 P210 V211 G250 R251 Y252	Y97-D233 PolarHBondContact OH-OD2 3.35Å; P210-D233 HydrophobicContact CB-CB 3.93Å; V211-D233 PolarHBondContact O-N 3.32Å; D233-G250 CarbonylContact O-C 3.54Å; D233-G250 WeakPolarHBondContact O-CA 3.43Å; D233-R251 PolarHBondContact O-N 3.1Å; D233-R251 WeakPolarHBondContact OD1-CD 3.49Å; D233-R251 VanDerWaalsContact OD1-CG 3.27Å; D233-R251 WeakPolarHBondContact OD1-CG 3.4Å; D233-R251 IonicContact OD1-CZ 3.22Å; D233-R251 IonicContact OD1-NE 2.75Å; D233-R251 PolarHBondContact OD1-NE 3.17Å; D233-R251 IonicContact OD1-NH2 2.75Å; D233-R251 IonicContact OD2-CZ 2.86Å; D233-R251 IonicContact OD2-NE 2.9Å; D233-R251 PolarHBondContact OD2-NE 2.79Å; D233-R251 IonicContact OD2-NH2 2.76Å; D233-R251 PolarHBondContact OD2-NH2 3.38Å; D233-Y252 PolarHBondContact O-N 3.28Å; D233-Y252 VanDerWaalsContact O-N 3.1Å
234	M	98.9	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.8	178	178.7	179.8	-174.8	0	0	111.6	A92 V93 A96 Y97 V211 A212 S213 P232 I236 Y252 F254	A92-M234 HydrophobicContact CB-CE 3.3Å; A92-M234 WeakPolarHBondContact O-CE 3.43Å; V93-M234 HydrophobicContact CG2-SD 4.28Å; A96-M234 HydrophobicContact CB-CE 4.19Å; A96-M234 HydrophobicContact CB-SD 3.76Å; Y97-M234 HydrophobicContact CD2-SD 4.33Å; Y97-M234 HydrophobicContact CE2-CB 4.18Å; Y97-M234 HydrophobicContact CE2-SD 3.72Å; V211-M234 PolarHBondContact O-N 3.43Å; V211-M234 VanDerWaalsContact O-N 3.1Å; A212-M234 CarbonylContact C-O 3.53Å; A212-M234 WeakPolarHBondContact CA-O 3.27Å; A212-M234 HydrophobicContact CB-CB 3.88Å; A212-M234 HydrophobicContact CB-CG 4.17Å; A212-M234 HydrophobicContact CB-SD 4.05Å; S213-M234 PolarHBondContact N-O 3Å; P232-M234 VanDerWaalsContact C-N 3.32Å; M234-I236 HydrophobicContact CE-CD1 3.76Å; M234-I236 HydrophobicContact CE-CG1 3.43Å; M234-I236 VanDerWaalsContact CE-CG1 3.43Å; M234-I236 HydrophobicContact CG-CG1 4.28Å; M234-I236 HydrophobicContact SD-CD1 4.31Å; M234-I236 HydrophobicContact SD-CG1 4.35Å; M234-Y252 CarbonylContact C-O 3.54Å; M234-Y252 WeakPolarHBondContact CA-O 3.27Å; M234-Y252 HydrophobicContact CB-CD2 4.48Å; M234-F254 HydrophobicContact CE-CB 4.35Å; M234-F254 HydrophobicContact CE-CD2 3.43Å; M234-F254 VanDerWaalsContact CE-CD2 3.43Å; M234-F254 HydrophobicContact CE-CE2 3.96Å; M234-F254 HydrophobicContact CE-CG 4.06Å
235	L	98.9	Very high	96.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.5	171.3	178	60.8	0	0	0	109.5	P217 A245 F248 Y252 H253 F254	P217-L235 HydrophobicContact CG-CD1 4.29Å; L235-A245 HydrophobicContact CD2-CB 3.64Å; L235-F248 HydrophobicContact CB-CD1 4.25Å; L235-F248 HydrophobicContact CB-CD2 3.78Å; L235-F248 HydrophobicContact CB-CE1 4.13Å; L235-F248 HydrophobicContact CB-CE2 3.62Å; L235-F248 HydrophobicContact CB-CG 4.08Å; L235-F248 HydrophobicContact CB-CZ 3.8Å; L235-F248 HydrophobicContact CD2-CB 4.05Å; L235-F248 HydrophobicContact CD2-CD2 4.19Å; L235-F248 HydrophobicContact CD2-CG 4.02Å; L235-Y252 PolarHBondContact N-O 3.03Å; L235-H253 CarbonylContact O-C 3.54Å; L235-H253 WeakPolarHBondContact O-CA 3.4Å; L235-H253 PolarHBondContact O-CD2 2.67Å; L235-F254 PolarHBondContact O-N 2.85Å
236	I	98.9	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	93.5	176.7	-56	145.1	0	0	0	108	C89 A92 V93 S213 D215 M234 L238 F254	C89-I236 HydrophobicContact CB-CD1 4.27Å; A92-I236 HydrophobicContact CB-CD1 4.34Å; A92-I236 HydrophobicContact CB-CG1 3.95Å; A92-I236 HydrophobicContact CB-CG2 4.37Å; V93-I236 HydrophobicContact CG2-CD1 4.15Å; S213-I236 PolarHBondContact O-N 3.49Å; D215-I236 WeakPolarHBondContact CA-O 3.37Å; D215-I236 PolarHBondContact N-O 2.95Å; M234-I236 HydrophobicContact CE-CD1 3.76Å; M234-I236 HydrophobicContact CE-CG1 3.43Å; M234-I236 VanDerWaalsContact CE-CG1 3.43Å; M234-I236 HydrophobicContact CG-CG1 4.28Å; M234-I236 HydrophobicContact SD-CD1 4.31Å; M234-I236 HydrophobicContact SD-CG1 4.35Å; I236-L238 HydrophobicContact CG2-CD2 4.34Å; I236-L238 PolarHBondContact O-N 3.26Å; I236-F254 CarbonylContact C-O 3.6Å; I236-F254 WeakPolarHBondContact CA-O 3.43Å
237	S	98.8	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.6	175.1	-68	0	0	0	0	110.7	H253 F254 G256	S237-H253 PolarHBondContact OG-NE2 3.11Å; S237-F254 PolarHBondContact N-O 3.15Å; S237-G256 PolarHBondContact O-N 2.88Å
238	L	98.8	Very high	97.3	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.068	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141	176.4	-60.5	174.5	0	0	0	110.7	A85 I214 D215 I236 A240 K242	A85-L238 HydrophobicContact CB-CD1 3.85Å; A85-L238 HydrophobicContact CB-CD2 4Å; I214-L238 HydrophobicContact CG2-CD1 3.82Å; I214-L238 HydrophobicContact CG2-CG 4.49Å; D215-L238 HydrophobicContact CB-CD1 4.25Å; D215-L238 HydrophobicContact CB-CG 4.43Å; D215-L238 WeakPolarHBondContact OD1-CB 3.17Å; D215-L238 PolarHBondContact OD1-N 3.01Å; D215-L238 VanDerWaalsContact OD1-N 3.13Å; I236-L238 HydrophobicContact CG2-CD2 4.34Å; I236-L238 PolarHBondContact O-N 3.26Å; L238-A240 PolarHBondContact O-N 3.29Å; L238-K242 PolarHBondContact O-NZ 3.12Å
239	T	98.4	Very high	97.7	Very high	11 Å²	11	33 Å²	33	7%	0.067	16%	0.161	C	C	.	.	S	Bend	trans	68.4	-61.7	-179.1	-54.6	0	0	0	0	112.8	I66 G256 F259 V260	I66-T239 HydrophobicContact CG2-CG2 3.83Å; T239-G256 PolarHBondContact N-O 3.28Å; T239-G256 VanDerWaalsContact N-O 3.07Å; T239-F259 WeakPolarHBondContact OG1-CE2 3.38Å; T239-F259 WeakPolarHBondContact OG1-CZ 3.45Å; T239-V260 HydrophobicContact CG2-CG2 3.75Å
240	A	98.4	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-156	156.8	168.7	0	0	0	0	0	109.4	L58 L238 K242 L270 L272	L58-A240 HydrophobicContact CD1-CB 3.75Å; L58-A240 HydrophobicContact CG-CB 4.07Å; L238-A240 PolarHBondContact O-N 3.29Å; A240-K242 PolarHBondContact O-NZ 2.95Å; A240-L270 HydrophobicContact CB-CD2 4.37Å; A240-L272 HydrophobicContact CB-CD2 4.1Å
241	P	98.3	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.193	C	C	.	.			trans	-56.9	142	174.3	-23.3	35.8	0	0	0	112.2	V55 H57 L58 A245 L284	V55-P241 HydrophobicContact CG1-CG 3.71Å; H57-P241 CarbonylContact C-O 3.59Å; H57-P241 VanDerWaalsContact CA-O 3.3Å; H57-P241 WeakPolarHBondContact CA-O 3.27Å; L58-P241 PolarHBondContact N-O 3.45Å; P241-A245 HydrophobicContact CB-CB 4.15Å; P241-L284 HydrophobicContact CG-CD1 3.78Å
242	K	98.3	Very high	98.2	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.022	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-86	156.9	167.8	-90.8	61.6	60.9	-178.9	0	109.6	H57 L58 A63 F187 D215 I216 V222 L238 A240 S244 A245	H57-K242 PolarHBondContact CD2-O 2.95Å; L58-K242 CarbonylContact O-C 3.54Å; L58-K242 WeakPolarHBondContact O-CA 3.36Å; A63-K242 HydrophobicContact CB-CD 4.17Å; F187-K242 HydrophobicContact CB-CD 4.24Å; F187-K242 HydrophobicContact CB-CG 4.12Å; D215-K242 WeakPolarHBondContact OD1-CE 3.33Å; D215-K242 IonicContact OD1-NZ 3.6Å; D215-K242 PolarHBondContact OD1-NZ 3.43Å; D215-K242 WeakPolarHBondContact OD2-CE 3.44Å; D215-K242 IonicContact OD2-NZ 3.68Å; D215-K242 PolarHBondContact OD2-NZ 2.91Å; I216-K242 HydrophobicContact CD1-CB 3.96Å; I216-K242 HydrophobicContact CD1-CG 3.93Å; I216-K242 HydrophobicContact CG1-CB 4.24Å; I216-K242 HydrophobicContact CG1-CG 4.45Å; V222-K242 HydrophobicContact CG1-CB 4.09Å; V222-K242 HydrophobicContact CG1-CG 3.71Å; L238-K242 PolarHBondContact O-NZ 3.12Å; A240-K242 PolarHBondContact O-NZ 2.95Å; K242-S244 PolarHBondContact O-N 3.06Å; K242-S244 VanDerWaalsContact O-N 3.15Å; K242-A245 WeakPolarHBondContact O-CB 3.41Å; K242-A245 PolarHBondContact O-N 3.39Å
243	K	98	Very high	98.2	Very high	80 Å²	80	38.9 Å²	38.9	35%	0.348	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-52.8	-36.3	-178.2	-82.4	-178.6	-167.4	171.5	0	113.6	H57 L58 E223 A245 S246	H57-K243 HydrophobicContact CB-CG 4.18Å; L58-K243 PolarHBondContact O-N 2.6Å; E223-K243 HydrophobicContact CB-CB 4.04Å; E223-K243 HydrophobicContact CB-CD 4.14Å; E223-K243 HydrophobicContact CG-CB 4.19Å; E223-K243 HydrophobicContact CG-CD 4.02Å; E223-K243 VanDerWaalsContact OE2-CD 3.25Å; E223-K243 WeakPolarHBondContact OE2-CD 3.41Å; E223-K243 IonicContact OE2-NZ 2.73Å; E223-K243 PolarHBondContact OE2-NZ 3.16Å; K243-A245 PolarHBondContact O-N 3.26Å; K243-A245 VanDerWaalsContact O-N 3.16Å; K243-S246 WeakPolarHBondContact O-CB 3.48Å; K243-S246 PolarHBondContact O-N 3.44Å; K243-S246 PolarHBondContact O-OG 3.27Å
244	S	96.9	Very high	98.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.3	-25.3	175.5	62.3	0	0	0	0	113.9	D221 V222 K242 S246 L247	D221-S244 WeakPolarHBondContact O-CB 2.99Å; V222-S244 WeakPolarHBondContact O-CB 3.43Å; V222-S244 PolarHBondContact O-N 2.87Å; V222-S244 PolarHBondContact O-OG 3.21Å; K242-S244 PolarHBondContact O-N 3.06Å; K242-S244 VanDerWaalsContact O-N 3.15Å; S244-S246 PolarHBondContact O-N 3.07Å; S244-L247 WeakPolarHBondContact O-CB 3.34Å; S244-L247 PolarHBondContact O-N 3.22Å
245	A	97.8	Very high	98.2	Very high	6 Å²	6	37.8 Å²	37.8	5%	0.05	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-63.6	-21	176	0	0	0	0	0	113	L235 P241 K242 K243 L247 F248	L235-A245 HydrophobicContact CD2-CB 3.64Å; P241-A245 HydrophobicContact CB-CB 4.15Å; K242-A245 WeakPolarHBondContact O-CB 3.41Å; K242-A245 PolarHBondContact O-N 3.39Å; K243-A245 PolarHBondContact O-N 3.26Å; K243-A245 VanDerWaalsContact O-N 3.16Å; A245-L247 PolarHBondContact O-N 2.95Å; A245-F248 WeakPolarHBondContact O-CB 3.37Å; A245-F248 PolarHBondContact O-N 2.97Å; A245-F248 VanDerWaalsContact O-N 3.08Å
246	S	96.9	Very high	98.2	Very high	85 Å²	85	37.7 Å²	37.7	59%	0.594	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-65.2	-17.3	172.5	66.4	0	0	0	0	113.6	K243 S244	K243-S246 WeakPolarHBondContact O-CB 3.48Å; K243-S246 PolarHBondContact O-N 3.44Å; K243-S246 PolarHBondContact O-OG 3.27Å; S244-S246 PolarHBondContact O-N 3.07Å
247	L	97.2	Very high	98.1	Very high	79 Å²	79	37.7 Å²	37.7	41%	0.414	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-97.9	-2.4	177.2	-56.5	171.4	0	0	0	112.4	W220 Q224 S244 A245	W220-L247 HydrophobicContact CZ3-CB 4.1Å; Q224-L247 VanDerWaalsContact C-CD1 3.42Å; Q224-L247 WeakPolarHBondContact O-CD1 3.38Å; S244-L247 WeakPolarHBondContact O-CB 3.34Å; S244-L247 PolarHBondContact O-N 3.22Å; A245-L247 PolarHBondContact O-N 2.95Å
248	F	97.8	Very high	98.1	Very high	30 Å²	30	43.1 Å²	43.1	13%	0.132	20%	0.197	C	C	.	.			trans	-65.7	136.2	177.2	176.3	-110.5	0	0	0	110.8	P232 L235 A245 G250 Y252 H253	P232-F248 HydrophobicContact CG-CD2 4.37Å; P232-F248 HydrophobicContact CG-CE2 4.1Å; P232-F248 VanDerWaalsContact O-CE2 3.23Å; P232-F248 WeakPolarHBondContact O-CE2 3.28Å; L235-F248 HydrophobicContact CB-CD1 4.25Å; L235-F248 HydrophobicContact CB-CD2 3.78Å; L235-F248 HydrophobicContact CB-CE1 4.13Å; L235-F248 HydrophobicContact CB-CE2 3.62Å; L235-F248 HydrophobicContact CB-CG 4.08Å; L235-F248 HydrophobicContact CB-CZ 3.8Å; L235-F248 HydrophobicContact CD2-CB 4.05Å; L235-F248 HydrophobicContact CD2-CD2 4.19Å; L235-F248 HydrophobicContact CD2-CG 4.02Å; A245-F248 WeakPolarHBondContact O-CB 3.37Å; A245-F248 PolarHBondContact O-N 2.97Å; A245-F248 VanDerWaalsContact O-N 3.08Å; F248-G250 WeakPolarHBondContact CE1-O 3.16Å; F248-Y252 WeakPolarHBondContact CZ-O 3.16Å; F248-H253 HydrophobicContact CD1-CB 4.03Å; F248-H253 HydrophobicContact CE1-CB 3.85Å
249	R	97	Very high	98.1	Very high	221 Å²	221	43.8 Å²	43.8	83%	0.834	20%	0.199	S	C	*	.			trans	-127	5.4	-178.1	-61.6	-176.5	-179.2	-178.2	0.5	113.6
250	G	97.9	Very high	98.1	Very high	23 Å²	23	44.3 Å²	44.3	24%	0.237	20%	0.202	C	C	.	.	S	Bend	trans	-70.9	171.7	177.6	0	0	0	0	0	112.1	D233 F248	D233-G250 CarbonylContact O-C 3.54Å; D233-G250 WeakPolarHBondContact O-CA 3.43Å; F248-G250 WeakPolarHBondContact CE1-O 3.16Å
251	R	98.4	Very high	98.1	Very high	151 Å²	151	45.3 Å²	45.3	57%	0.57	21%	0.209	S	C	*	.	S	Bend	trans	-73.1	-29.6	-175.5	-65.8	-179.9	-64.3	174.9	-0.2	113.5	D233	D233-R251 PolarHBondContact O-N 3.1Å; D233-R251 WeakPolarHBondContact OD1-CD 3.49Å; D233-R251 VanDerWaalsContact OD1-CG 3.27Å; D233-R251 WeakPolarHBondContact OD1-CG 3.4Å; D233-R251 IonicContact OD1-CZ 3.22Å; D233-R251 IonicContact OD1-NE 2.75Å; D233-R251 PolarHBondContact OD1-NE 3.17Å; D233-R251 IonicContact OD1-NH2 2.75Å; D233-R251 IonicContact OD2-CZ 2.86Å; D233-R251 IonicContact OD2-NE 2.9Å; D233-R251 PolarHBondContact OD2-NE 2.79Å; D233-R251 IonicContact OD2-NH2 2.76Å; D233-R251 PolarHBondContact OD2-NH2 3.38Å
252	Y	98.8	Very high	98.1	Very high	57 Å²	57	50.4 Å²	50.4	22%	0.224	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	109	-168.4	-56.1	-66	0	0	0	111.8	A96 Y97 D233 M234 L235 F248 F254	A96-Y252 HydrophobicContact CB-CD1 4.15Å; A96-Y252 HydrophobicContact CB-CD2 3.87Å; A96-Y252 HydrophobicContact CB-CE1 4.45Å; A96-Y252 HydrophobicContact CB-CE2 4.16Å; A96-Y252 HydrophobicContact CB-CG 3.84Å; Y97-Y252 HydrophobicContact CE1-CE2 4.12Å; D233-Y252 PolarHBondContact O-N 3.28Å; D233-Y252 VanDerWaalsContact O-N 3.1Å; M234-Y252 CarbonylContact C-O 3.54Å; M234-Y252 WeakPolarHBondContact CA-O 3.27Å; M234-Y252 HydrophobicContact CB-CD2 4.48Å; L235-Y252 PolarHBondContact N-O 3.03Å; F248-Y252 WeakPolarHBondContact CZ-O 3.16Å; Y252-F254 HydrophobicContact CD1-CE2 4.47Å
253	H	98.8	Very high	98.1	Very high	26 Å²	26	53.2 Å²	53.2	12%	0.12	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.6	168	-168.2	-176.6	0	0	0	109.1	L235 S237 F248 Q283 L284	L235-H253 CarbonylContact O-C 3.54Å; L235-H253 WeakPolarHBondContact O-CA 3.4Å; L235-H253 PolarHBondContact O-CD2 2.67Å; S237-H253 PolarHBondContact OG-NE2 3.11Å; F248-H253 HydrophobicContact CD1-CB 4.03Å; F248-H253 HydrophobicContact CE1-CB 3.85Å; H253-Q283 CarbonylContact O-C 3.53Å; H253-Q283 WeakPolarHBondContact O-CA 3.35Å; H253-L284 HydrophobicContact CB-CB 4.39Å; H253-L284 PolarHBondContact O-N 3.17Å
254	F	98.9	Very high	98.2	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.2	175	-78.9	-97.2	0	0	0	110.9	A92 R95 A96 M234 L235 I236 S237 Y252 V281 L282 Q283	A92-F254 HydrophobicContact CB-CB 3.86Å; A92-F254 HydrophobicContact CB-CD1 4.04Å; A92-F254 HydrophobicContact CB-CD2 4.28Å; A92-F254 HydrophobicContact CB-CG 3.8Å; R95-F254 HydrophobicContact CB-CE1 4.24Å; R95-F254 HydrophobicContact CB-CZ 4.02Å; A96-F254 HydrophobicContact CB-CE2 4.17Å; M234-F254 HydrophobicContact CE-CB 4.35Å; M234-F254 HydrophobicContact CE-CD2 3.43Å; M234-F254 VanDerWaalsContact CE-CD2 3.43Å; M234-F254 HydrophobicContact CE-CE2 3.96Å; M234-F254 HydrophobicContact CE-CG 4.06Å; L235-F254 PolarHBondContact O-N 2.85Å; I236-F254 CarbonylContact C-O 3.6Å; I236-F254 WeakPolarHBondContact CA-O 3.43Å; S237-F254 PolarHBondContact N-O 3.15Å; Y252-F254 HydrophobicContact CD1-CE2 4.47Å; F254-V281 HydrophobicContact CD1-CB 4.15Å; F254-V281 HydrophobicContact CD1-CG2 4.24Å; F254-V281 HydrophobicContact CE1-CG2 4.46Å; F254-L282 CarbonylContact C-O 3.53Å; F254-L282 VanDerWaalsContact CA-O 3.3Å; F254-L282 WeakPolarHBondContact CA-O 3.47Å; F254-Q283 HydrophobicContact CD1-CB 4.06Å; F254-Q283 HydrophobicContact CD2-CG 4.42Å; F254-Q283 HydrophobicContact CE1-CB 3.69Å; F254-Q283 HydrophobicContact CE1-CG 4.33Å; F254-Q283 HydrophobicContact CE2-CB 4.32Å; F254-Q283 HydrophobicContact CE2-CG 4.06Å; F254-Q283 HydrophobicContact CZ-CB 3.83Å; F254-Q283 HydrophobicContact CZ-CG 4Å
255	L	98.8	Very high	98.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.4	163	179	61.9	0	0	0	108.6	L272 P273 Y275 V281 L282 L284	L255-L272 HydrophobicContact CD2-CD2 4.16Å; L255-P273 HydrophobicContact CD2-CG 4.02Å; L255-Y275 WeakPolarHBondContact CG-OH 3.39Å; L255-V281 CarbonylContact O-C 3.55Å; L255-V281 VanDerWaalsContact O-CA 3.23Å; L255-V281 WeakPolarHBondContact O-CA 3.32Å; L255-L282 PolarHBondContact N-O 2.87Å; L255-L282 PolarHBondContact O-N 3.26Å; L255-L284 HydrophobicContact CB-CD1 4.1Å; L255-L284 HydrophobicContact CB-CD2 4.19Å; L255-L284 HydrophobicContact CB-CG 4.06Å
256	G	98.7	Very high	98.2	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	-178	175.7	0	0	0	0	0	112.2	S237 T239 Y275	S237-G256 PolarHBondContact O-N 2.88Å; T239-G256 PolarHBondContact N-O 3.28Å; T239-G256 VanDerWaalsContact N-O 3.07Å; G256-Y275 PolarHBondContact O-OH 3.42Å
257	G	98.2	Very high	98.3	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.289	C	S	.	.			trans	77.1	54.3	-175.2	0	0	0	0	0	111.8	S88 F259	S88-G257 PolarHBondContact OG-N 3.49Å; S88-G257 VanDerWaalsContact OG-N 3.09Å; G257-F259 PolarHBondContact O-N 3.15Å
258	R	98.5	Very high	98.3	Very high	114 Å²	114	58.6 Å²	58.6	43%	0.43	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	67.1	175.8	-169.8	-176.5	178.4	177.1	1.2	111.7	Y275 G277 D279	R258-Y275 HydrophobicContact CB-CD1 4.16Å; R258-Y275 HydrophobicContact CB-CD2 4.23Å; R258-Y275 HydrophobicContact CB-CE1 3.91Å; R258-Y275 HydrophobicContact CB-CE2 3.99Å; R258-Y275 HydrophobicContact CB-CG 4.3Å; R258-Y275 HydrophobicContact CG-CD1 4.21Å; R258-Y275 HydrophobicContact CG-CD2 3.65Å; R258-Y275 HydrophobicContact CG-CE1 4.34Å; R258-Y275 HydrophobicContact CG-CE2 3.82Å; R258-Y275 HydrophobicContact CG-CG 3.84Å; R258-Y275 VanDerWaalsContact CZ-CB 3.45Å; R258-G277 PolarHBondContact NH1-O 3.15Å; R258-G277 PolarHBondContact NH2-O 2.87Å; R258-G277 VanDerWaalsContact NH2-O 3.16Å; R258-D279 WeakPolarHBondContact CD-O 3.44Å; R258-D279 PolarHBondContact NH1-O 2.97Å
259	F	98.4	Very high	98.3	Very high	26 Å²	26	62.6 Å²	62.6	11%	0.114	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-0.9	177.8	49.4	-114	0	0	0	113.3	L70 L81 L84 T239 G257 P261	L70-F259 HydrophobicContact CD1-CD2 4.49Å; L70-F259 HydrophobicContact CD1-CE2 4.07Å; L81-F259 HydrophobicContact CB-CE1 4.5Å; L81-F259 HydrophobicContact CD1-CE2 4.36Å; L81-F259 HydrophobicContact CD2-CB 4.21Å; L81-F259 HydrophobicContact CD2-CD1 4.04Å; L81-F259 HydrophobicContact CD2-CD2 3.89Å; L81-F259 HydrophobicContact CD2-CE1 4.37Å; L81-F259 HydrophobicContact CD2-CE2 4.27Å; L81-F259 HydrophobicContact CD2-CG 3.78Å; L81-F259 HydrophobicContact CD2-CZ 4.49Å; L84-F259 HydrophobicContact CB-CD1 3.8Å; L84-F259 HydrophobicContact CB-CE1 4.23Å; L84-F259 HydrophobicContact CD1-CB 3.93Å; L84-F259 HydrophobicContact CD1-CD1 3.9Å; L84-F259 HydrophobicContact CD1-CG 4.34Å; T239-F259 WeakPolarHBondContact OG1-CE2 3.38Å; T239-F259 WeakPolarHBondContact OG1-CZ 3.45Å; G257-F259 PolarHBondContact O-N 3.15Å; F259-P261 WeakPolarHBondContact O-CD 3.39Å
260	V	98.6	Very high	98.3	Very high	22 Å²	22	52.1 Å²	52.1	13%	0.133	25%	0.254	C	S	.	.			trans	-63.2	118	-178	-176.3	0	0	0	0	110.4	T239 L264 E265 L270 L272	T239-V260 HydrophobicContact CG2-CG2 3.75Å; V260-L264 HydrophobicContact CG1-CB 4.37Å; V260-L264 HydrophobicContact CG1-CD2 4.39Å; V260-E265 HydrophobicContact CG1-CB 4.04Å; V260-L270 HydrophobicContact CG1-CD1 3.89Å; V260-L272 HydrophobicContact CB-CD1 3.83Å; V260-L272 HydrophobicContact CG1-CD1 4.01Å; V260-L272 HydrophobicContact CG2-CD1 3.86Å
261	P	98.6	Very high	98.3	Very high	22 Å²	22	54.4 Å²	54.4	14%	0.143	26%	0.259	C	S	.	.			trans	-64.5	141.1	177	-24.7	37.2	0	0	0	111.2	L70 Y74 F76 F259 A263 L264 E265	L70-P261 HydrophobicContact CD2-CG 4.34Å; Y74-P261 HydrophobicContact CD1-CB 3.89Å; Y74-P261 HydrophobicContact CD1-CG 3.47Å; Y74-P261 VanDerWaalsContact CD1-CG 3.47Å; Y74-P261 HydrophobicContact CE1-CB 3.5Å; Y74-P261 HydrophobicContact CE1-CG 3.59Å; Y74-P261 HydrophobicContact CG-CG 4.17Å; F76-P261 HydrophobicContact CE2-CG 4.12Å; F259-P261 WeakPolarHBondContact O-CD 3.39Å; P261-A263 PolarHBondContact O-N 2.69Å; P261-A263 VanDerWaalsContact O-N 3.1Å; P261-L264 HydrophobicContact CB-CB 4.29Å; P261-L264 WeakPolarHBondContact O-CA 3.31Å; P261-L264 WeakPolarHBondContact O-CB 3.39Å; P261-L264 PolarHBondContact O-N 2.86Å; P261-E265 PolarHBondContact O-N 3.37Å
262	P	98.3	Very high	98.2	Very high	106 Å²	106	48.4 Å²	48.4	69%	0.688	24%	0.237	S	C	*	.	H	α-helix	trans	-56.8	-31.8	-179.4	-28.3	35.2	0	0	0	114.2	K266	P262-K266 WeakPolarHBondContact O-CB 3.13Å; P262-K266 PolarHBondContact O-N 2.83Å
263	A	98.4	Very high	98.1	Very high	64 Å²	64	47.2 Å²	47.2	53%	0.529	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-41.2	175.3	0	0	0	0	0	112.1	P261 K267	P261-A263 PolarHBondContact O-N 2.69Å; P261-A263 VanDerWaalsContact O-N 3.1Å; A263-K267 WeakPolarHBondContact O-CB 2.98Å; A263-K267 PolarHBondContact O-N 3.42Å
264	L	98.4	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-44.6	177.3	-167.8	67.4	0	0	0	110.9	I66 E69 L70 Y74 V260 P261 K266 K267 Y268	I66-L264 HydrophobicContact CG2-CD2 4.11Å; E69-L264 HydrophobicContact CB-CD1 4.26Å; E69-L264 WeakPolarHBondContact OE2-CD1 3.43Å; L70-L264 HydrophobicContact CD1-CD2 4.34Å; L70-L264 HydrophobicContact CD2-CD2 3.59Å; L70-L264 HydrophobicContact CG-CD2 3.75Å; Y74-L264 HydrophobicContact CE2-CB 4.3Å; Y74-L264 HydrophobicContact CE2-CD1 3.8Å; Y74-L264 HydrophobicContact CE2-CD2 4.48Å; Y74-L264 HydrophobicContact CE2-CG 4.44Å; Y74-L264 PolarHBondContact OH-N 3.26Å; V260-L264 HydrophobicContact CG1-CB 4.37Å; V260-L264 HydrophobicContact CG1-CD2 4.39Å; P261-L264 HydrophobicContact CB-CB 4.29Å; P261-L264 WeakPolarHBondContact O-CA 3.31Å; P261-L264 WeakPolarHBondContact O-CB 3.39Å; P261-L264 PolarHBondContact O-N 2.86Å; L264-K266 VanDerWaalsContact C-N 3.29Å; L264-K266 PolarHBondContact O-N 2.98Å; L264-K267 PolarHBondContact O-N 3.14Å; L264-Y268 HydrophobicContact CD1-CD2 3.7Å; L264-Y268 HydrophobicContact CD1-CE2 3.53Å; L264-Y268 HydrophobicContact CG-CD2 4.13Å; L264-Y268 HydrophobicContact CG-CE2 4.41Å; L264-Y268 PolarHBondContact O-N 3.12Å
265	E	98.3	Very high	97.9	Very high	56 Å²	56	52.7 Å²	52.7	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-55.3	-46.4	175.5	-165.5	-164.9	156.5	0	0	111.5	V260 P261 Q269 L270 L272	V260-E265 HydrophobicContact CG1-CB 4.04Å; P261-E265 PolarHBondContact O-N 3.37Å; E265-Q269 WeakPolarHBondContact O-CA 3.23Å; E265-Q269 PolarHBondContact O-N 3.35Å; E265-L270 HydrophobicContact CG-CB 3.87Å; E265-L270 HydrophobicContact CG-CD1 4.38Å; E265-L270 HydrophobicContact CG-CG 4.42Å; E265-L270 PolarHBondContact O-N 2.87Å; E265-L272 HydrophobicContact CG-CB 4.36Å; E265-L272 HydrophobicContact CG-CD1 4.03Å; E265-L272 HydrophobicContact CG-CG 3.95Å; E265-L272 PolarHBondContact OE1-N 3.5Å
266	K	98.1	Very high	97.8	Very high	174 Å²	174	55.6 Å²	55.6	76%	0.757	29%	0.291	S	S	*	.	H	α-helix	trans	-66	-43.5	176.9	-174.9	179.9	179.4	-178.1	0	112.2	P262 L264 Y268 Q269	P262-K266 WeakPolarHBondContact O-CB 3.13Å; P262-K266 PolarHBondContact O-N 2.83Å; L264-K266 VanDerWaalsContact C-N 3.29Å; L264-K266 PolarHBondContact O-N 2.98Å; K266-Y268 VanDerWaalsContact C-N 3.33Å; K266-Y268 PolarHBondContact O-N 3.11Å; K266-Q269 PolarHBondContact O-N 3.38Å
267	K	98.2	Very high	97.8	Very high	107 Å²	107	58.8 Å²	58.8	47%	0.465	32%	0.324	S	S	.	.	H	α-helix	trans	-57.8	-45.4	179.4	177.9	176.9	175.1	-178.5	0	111.3	E69 E73 A263 L264	E69-K267 VanDerWaalsContact OE1-CE 3.29Å; E69-K267 WeakPolarHBondContact OE1-CE 3.44Å; E69-K267 IonicContact OE1-NZ 2.69Å; E69-K267 PolarHBondContact OE1-NZ 3.08Å; E69-K267 WeakPolarHBondContact OE2-CE 3.38Å; E69-K267 IonicContact OE2-NZ 2.7Å; E69-K267 PolarHBondContact OE2-NZ 3.21Å; E73-K267 IonicContact OE2-NZ 3.92Å; A263-K267 WeakPolarHBondContact O-CB 2.98Å; A263-K267 PolarHBondContact O-N 3.42Å; L264-K267 PolarHBondContact O-N 3.14Å
268	Y	97.8	Very high	97.8	Very high	27 Å²	27	65.6 Å²	65.6	11%	0.106	37%	0.365	C	S	.	.	H	α-helix	trans	-92.6	0.5	-178.6	-74	-87.2	0	0	0	114.1	R56 I66 E69 L264 K266 L270	R56-Y268 WeakPolarHBondContact CD-O 3.45Å; R56-Y268 PolarHBondContact NH1-O 3.32Å; I66-Y268 HydrophobicContact CD1-CD1 3.73Å; I66-Y268 HydrophobicContact CD1-CD2 4.19Å; I66-Y268 HydrophobicContact CD1-CE1 4.17Å; I66-Y268 HydrophobicContact CD1-CG 3.74Å; I66-Y268 HydrophobicContact CG1-CD1 3.72Å; I66-Y268 HydrophobicContact CG1-CD2 3.72Å; I66-Y268 HydrophobicContact CG1-CE1 3.69Å; I66-Y268 HydrophobicContact CG1-CE2 3.7Å; I66-Y268 HydrophobicContact CG1-CG 3.73Å; E69-Y268 WeakPolarHBondContact OE1-CE2 3.49Å; E69-Y268 PolarHBondContact OE1-OH 2.8Å; L264-Y268 HydrophobicContact CD1-CD2 3.7Å; L264-Y268 HydrophobicContact CD1-CE2 3.53Å; L264-Y268 HydrophobicContact CG-CD2 4.13Å; L264-Y268 HydrophobicContact CG-CE2 4.41Å; L264-Y268 PolarHBondContact O-N 3.12Å; K266-Y268 VanDerWaalsContact C-N 3.33Å; K266-Y268 PolarHBondContact O-N 3.11Å; Y268-L270 VanDerWaalsContact C-N 3.25Å; Y268-L270 PolarHBondContact O-N 2.9Å
269	Q	97.6	Very high	97.7	Very high	115 Å²	115	62.2 Å²	62.2	54%	0.537	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	49	-178.7	-58.8	166	48.9	0	0	111	R56 E265 K266 H271	R56-Q269 WeakPolarHBondContact CB-O 3.38Å; R56-Q269 VanDerWaalsContact CD-O 3.25Å; R56-Q269 WeakPolarHBondContact CD-O 3.2Å; E265-Q269 WeakPolarHBondContact O-CA 3.23Å; E265-Q269 PolarHBondContact O-N 3.35Å; K266-Q269 PolarHBondContact O-N 3.38Å; Q269-H271 VanDerWaalsContact C-N 3.26Å; Q269-H271 PolarHBondContact O-CD2 3.25Å; Q269-H271 PolarHBondContact O-N 2.96Å; Q269-H271 PolarHBondContact O-NE2 3.44Å
270	L	96.9	Very high	97.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.36	C	S	.	.			trans	-70.2	-27.2	-173.9	-60	-177.6	0	0	0	112.4	R56 L58 I66 A240 V260 E265 Y268 L272	R56-L270 WeakPolarHBondContact CB-O 3.41Å; R56-L270 PolarHBondContact N-O 3.3Å; L58-L270 HydrophobicContact CD1-CD2 4.38Å; L58-L270 HydrophobicContact CD2-CD2 3.68Å; L58-L270 HydrophobicContact CG-CD2 4.4Å; I66-L270 HydrophobicContact CD1-CD2 4.01Å; A240-L270 HydrophobicContact CB-CD2 4.37Å; V260-L270 HydrophobicContact CG1-CD1 3.89Å; E265-L270 HydrophobicContact CG-CB 3.87Å; E265-L270 HydrophobicContact CG-CD1 4.38Å; E265-L270 HydrophobicContact CG-CG 4.42Å; E265-L270 PolarHBondContact O-N 2.87Å; Y268-L270 VanDerWaalsContact C-N 3.25Å; Y268-L270 PolarHBondContact O-N 2.9Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 HydrophobicContact CB-CD1 4.45Å; L270-L272 HydrophobicContact CB-CD2 3.89Å; L270-L272 HydrophobicContact CB-CG 3.78Å; L270-L272 HydrophobicContact CD1-CD1 4.16Å; L270-L272 HydrophobicContact CD1-CD2 4.49Å; L270-L272 HydrophobicContact CD1-CG 4.36Å; L270-L272 PolarHBondContact O-N 2.98Å
271	H	96.8	Very high	97.8	Very high	72 Å²	72	61.2 Å²	61.2	33%	0.333	35%	0.353	S	S	.	.			trans	52.7	50.5	-176.8	-55.8	-66.3	0	0	0	111.4	H53 Q269	H53-H271 HydrophobicContact CB-CB 4.09Å; Q269-H271 VanDerWaalsContact C-N 3.26Å; Q269-H271 PolarHBondContact O-CD2 3.25Å; Q269-H271 PolarHBondContact O-N 2.96Å; Q269-H271 PolarHBondContact O-NE2 3.44Å
272	L	97.2	Very high	97.7	Very high	24 Å²	24	61.9 Å²	61.9	13%	0.126	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-71.7	133.1	-176.2	-60.2	178.9	0	0	0	109.3	A240 L255 V260 E265 L270	A240-L272 HydrophobicContact CB-CD2 4.1Å; L255-L272 HydrophobicContact CD2-CD2 4.16Å; V260-L272 HydrophobicContact CB-CD1 3.83Å; V260-L272 HydrophobicContact CG1-CD1 4.01Å; V260-L272 HydrophobicContact CG2-CD1 3.86Å; E265-L272 HydrophobicContact CG-CB 4.36Å; E265-L272 HydrophobicContact CG-CD1 4.03Å; E265-L272 HydrophobicContact CG-CG 3.95Å; E265-L272 PolarHBondContact OE1-N 3.5Å; L270-L272 VanDerWaalsContact C-N 3.33Å; L270-L272 HydrophobicContact CB-CD1 4.45Å; L270-L272 HydrophobicContact CB-CD2 3.89Å; L270-L272 HydrophobicContact CB-CG 3.78Å; L270-L272 HydrophobicContact CD1-CD1 4.16Å; L270-L272 HydrophobicContact CD1-CD2 4.49Å; L270-L272 HydrophobicContact CD1-CG 4.36Å; L270-L272 PolarHBondContact O-N 2.98Å
273	P	96.4	Very high	97.7	Very high	33 Å²	33	61.6 Å²	61.6	21%	0.214	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-66.5	149.3	175.4	27.7	-37.9	0	0	0	109.9	V55 L255 Y275 L282 L284	V55-P273 HydrophobicContact CG2-CG 4.05Å; L255-P273 HydrophobicContact CD2-CG 4.02Å; P273-Y275 PolarHBondContact O-N 3.24Å; P273-L282 HydrophobicContact CB-CD2 3.44Å; P273-L282 VanDerWaalsContact CB-CD2 3.44Å; P273-L282 HydrophobicContact CG-CD2 3.14Å; P273-L284 HydrophobicContact CG-CD2 4.13Å
274	P	96.4	Very high	97.6	Very high	121 Å²	121	63.5 Å²	63.5	79%	0.786	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-65.7	121.8	176.2	28	-33.7	0	0	0	109.9
275	Y	97.8	Very high	97.5	Very high	24 Å²	24	66.7 Å²	66.7	9%	0.094	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-64.8	134.2	172	-73.3	-100	0	0	0	110.5	L255 G256 R258 P273 G277 C280 L282	L255-Y275 WeakPolarHBondContact CG-OH 3.39Å; G256-Y275 PolarHBondContact O-OH 3.42Å; R258-Y275 HydrophobicContact CB-CD1 4.16Å; R258-Y275 HydrophobicContact CB-CD2 4.23Å; R258-Y275 HydrophobicContact CB-CE1 3.91Å; R258-Y275 HydrophobicContact CB-CE2 3.99Å; R258-Y275 HydrophobicContact CB-CG 4.3Å; R258-Y275 HydrophobicContact CG-CD1 4.21Å; R258-Y275 HydrophobicContact CG-CD2 3.65Å; R258-Y275 HydrophobicContact CG-CE1 4.34Å; R258-Y275 HydrophobicContact CG-CE2 3.82Å; R258-Y275 HydrophobicContact CG-CG 3.84Å; R258-Y275 VanDerWaalsContact CZ-CB 3.45Å; P273-Y275 PolarHBondContact O-N 3.24Å; Y275-G277 PolarHBondContact O-N 3.42Å; Y275-C280 WeakPolarHBondContact CE1-O 3.42Å; Y275-L282 HydrophobicContact CD1-CB 4.23Å; Y275-L282 HydrophobicContact CE1-CB 4.45Å
276	P	97.2	Very high	97.5	Very high	61 Å²	61	67.3 Å²	67.3	40%	0.396	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-66.3	128.5	-179.2	-20	32.7	0	0	0	111.8	T278 D279 L282	P276-T278 PolarHBondContact O-N 2.74Å; P276-T278 VanDerWaalsContact O-N 3.14Å; P276-D279 WeakPolarHBondContact O-CB 3.47Å; P276-D279 VanDerWaalsContact O-CG 3.25Å; P276-D279 PolarHBondContact O-N 2.85Å; P276-L282 HydrophobicContact CG-CD1 3.96Å
277	G	97.1	Very high	97.5	Very high	67 Å²	67	61.3 Å²	61.3	69%	0.691	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	-121.1	175.1	0	0	0	0	0	113.1	R258 Y275	R258-G277 PolarHBondContact NH1-O 3.15Å; R258-G277 PolarHBondContact NH2-O 2.87Å; R258-G277 VanDerWaalsContact NH2-O 3.16Å; Y275-G277 PolarHBondContact O-N 3.42Å
278	T	97.9	Very high	97.4	Very high	142 Å²	142	58.6 Å²	58.6	87%	0.871	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	11	179	56.6	0	0	0	0	113.6	P276	P276-T278 PolarHBondContact O-N 2.74Å; P276-T278 VanDerWaalsContact O-N 3.14Å
279	D	98.3	Very high	97.4	Very high	43 Å²	43	60.6 Å²	60.6	23%	0.23	35%	0.354	C	S	.	.			trans	-65.9	140.3	-176.3	-68.4	-12.4	0	0	0	111.7	R95 R258 P276 V281	R95-D279 IonicContact CZ-OD1 3.48Å; R95-D279 IonicContact CZ-OD2 2.57Å; R95-D279 IonicContact NH1-OD2 2.77Å; R95-D279 PolarHBondContact NH1-OD2 2.98Å; R95-D279 IonicContact NH2-OD1 3.94Å; R95-D279 PolarHBondContact NH2-OD1 2.8Å; R95-D279 IonicContact NH2-OD2 3.21Å; R95-D279 PolarHBondContact NH2-OD2 3.06Å; R258-D279 WeakPolarHBondContact CD-O 3.44Å; R258-D279 PolarHBondContact NH1-O 2.97Å; P276-D279 WeakPolarHBondContact O-CB 3.47Å; P276-D279 VanDerWaalsContact O-CG 3.25Å; P276-D279 PolarHBondContact O-N 2.85Å; D279-V281 VanDerWaalsContact C-N 3.35Å
280	C	98.6	Very high	97.4	Very high	28 Å²	28	57 Å²	57	19%	0.189	34%	0.342	C	S	.	.	S	Bend	trans	-90.6	-1	171.7	59.3	0	0	0	0	113.2	S88 T91 Y275	S88-C280 PolarHBondContact OG-O 3.41Å; T91-C280 PolarHBondContact OG1-SG 2.87Å; Y275-C280 WeakPolarHBondContact CE1-O 3.42Å
281	V	98.7	Very high	97.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.8	-179	-60.8	0	0	0	0	111.7	S88 T91 A92 F254 L255 D279	S88-V281 WeakPolarHBondContact O-CG1 3.2Å; T91-V281 HydrophobicContact CG2-CG1 4.46Å; T91-V281 HydrophobicContact CG2-CG2 3.71Å; A92-V281 HydrophobicContact CB-CB 4.49Å; A92-V281 HydrophobicContact CB-CG1 4.03Å; F254-V281 HydrophobicContact CD1-CB 4.15Å; F254-V281 HydrophobicContact CD1-CG2 4.24Å; F254-V281 HydrophobicContact CE1-CG2 4.46Å; L255-V281 CarbonylContact O-C 3.55Å; L255-V281 VanDerWaalsContact O-CA 3.23Å; L255-V281 WeakPolarHBondContact O-CA 3.32Å; D279-V281 VanDerWaalsContact C-N 3.35Å
282	L	97.9	Very high	97.4	Very high	35 Å²	35	60.2 Å²	60.2	18%	0.183	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.8	170.1	173.4	75.7	0	0	0	108.6	F254 L255 P273 Y275 P276 L284	F254-L282 CarbonylContact C-O 3.53Å; F254-L282 VanDerWaalsContact CA-O 3.3Å; F254-L282 WeakPolarHBondContact CA-O 3.47Å; L255-L282 PolarHBondContact N-O 2.87Å; L255-L282 PolarHBondContact O-N 3.26Å; P273-L282 HydrophobicContact CB-CD2 3.44Å; P273-L282 VanDerWaalsContact CB-CD2 3.44Å; P273-L282 HydrophobicContact CG-CD2 3.14Å; Y275-L282 HydrophobicContact CD1-CB 4.23Å; Y275-L282 HydrophobicContact CE1-CB 4.45Å; P276-L282 HydrophobicContact CG-CD1 3.96Å; L282-L284 HydrophobicContact CD2-CD2 4.45Å
283	Q	97.8	Very high	97.5	Very high	100 Å²	100	63.3 Å²	63.3	47%	0.467	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.5	169.4	-167.9	171.9	-12	0	0	109.8	H253 F254	H253-Q283 CarbonylContact O-C 3.53Å; H253-Q283 WeakPolarHBondContact O-CA 3.35Å; F254-Q283 HydrophobicContact CD1-CB 4.06Å; F254-Q283 HydrophobicContact CD2-CG 4.42Å; F254-Q283 HydrophobicContact CE1-CB 3.69Å; F254-Q283 HydrophobicContact CE1-CG 4.33Å; F254-Q283 HydrophobicContact CE2-CB 4.32Å; F254-Q283 HydrophobicContact CE2-CG 4.06Å; F254-Q283 HydrophobicContact CZ-CB 3.83Å; F254-Q283 HydrophobicContact CZ-CG 4Å
284	L	95.6	Very high	97.6	Very high	105 Å²	105	66 Å²	66	55%	0.55	41%	0.405	S	S	.	.			trans	-86.5	0	178.7	-64.9	177	0	0	0	112.1	V55 P241 H253 L255 P273 L282	V55-L284 HydrophobicContact CG2-CD2 4.24Å; P241-L284 HydrophobicContact CG-CD1 3.78Å; H253-L284 HydrophobicContact CB-CB 4.39Å; H253-L284 PolarHBondContact O-N 3.17Å; L255-L284 HydrophobicContact CB-CD1 4.1Å; L255-L284 HydrophobicContact CB-CD2 4.19Å; L255-L284 HydrophobicContact CB-CG 4.06Å; P273-L284 HydrophobicContact CG-CD2 4.13Å; L282-L284 HydrophobicContact CD2-CD2 4.45Å

Retrieved 284 of 284 residues in 282.1 ms (Link to these results)

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