G4VLJ0_SCHMA Loading...

ATP synthase subunit alpha

Produces ATP from ADP in the presence of a proton gradient across the membrane.

AlphaFold DB , UniProt , Accession G4VLJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 547 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	37.3	Very low	239 Å²	239	143.6 Å²	143.6	100%	1.177	83%	0.83	S	S	*	*				0	129.8	0	-76.9	177.1	170.6	0	0	107.3
2	S	37.7	Very low	36.9	Very low	119 Å²	119	150.5 Å²	150.5	83%	0.832	83%	0.832	S	S	*	*			trans	52.4	122.1	-173.9	59.8	0	0	0	0	118
3	S	35.8	Very low	36.9	Very low	96 Å²	96	152.5 Å²	152.5	67%	0.671	83%	0.832	S	S	*	*			cis	140.5	121.2	-8.8	53.2	0	0	0	0	108.9
4	F	38.6	Very low	37	Very low	174 Å²	174	152.9 Å²	152.9	76%	0.763	83%	0.831	S	S	*	*			trans	62.5	122.4	141.5	-76.7	-103.6	0	0	0	119.6
5	R	36.1	Very low	36.9	Very low	226 Å²	226	149.3 Å²	149.3	85%	0.853	82%	0.822	S	S	*	*				97	126.2	58.4	-101.7	-162.2	-177.4	173.2	-1.5	113.2
6	A	41.4	Very low	37.2	Very low	96 Å²	96	149.4 Å²	149.4	79%	0.793	82%	0.821	S	S	*	*			trans	175.1	116.2	143.6	0	0	0	0	0	107.9
7	A	38.5	Very low	37.2	Very low	108 Å²	108	150.8 Å²	150.8	89%	0.893	82%	0.817	S	S	*	*				49	119.5	56.4	0	0	0	0	0	111.8
8	G	34.2	Very low	37.2	Very low	62 Å²	62	151.3 Å²	151.3	64%	0.639	82%	0.819	S	S	*	*			cis	138.5	173.1	40.1	0	0	0	0	0	106.8
9	L	38.2	Very low	37.4	Very low	177 Å²	177	149.8 Å²	149.8	93%	0.927	82%	0.818	S	S	*	*			trans	94.1	144.1	-179.4	-75.3	87.7	0	0	0	115.8
10	V	38.9	Very low	37.5	Very low	127 Å²	127	148.8 Å²	148.8	77%	0.77	82%	0.821	S	S	*	*			cis	-163.9	157.1	-0.3	127.5	0	0	0	0	109.8
11	L	34.1	Very low	37.4	Very low	156 Å²	156	147.6 Å²	147.6	82%	0.817	82%	0.818	S	S	*	*			trans	-98.6	149.6	179.5	-133.4	147.3	0	0	0	111.2
12	R	32.2	Very low	37.3	Very low	226 Å²	226	146 Å²	146	85%	0.853	80%	0.804	S	S	*	*			trans	106.7	130.3	158.8	-71.1	-178	166.1	-176.4	-3.1	118.2
13	Q	37.1	Very low	37.1	Very low	176 Å²	176	149 Å²	149	82%	0.822	80%	0.803	S	S	*	*			trans	142.2	131.2	147.7	-86.8	-173.5	1.4	0	0	108.2
14	L	38.4	Very low	36.9	Very low	158 Å²	158	153.9 Å²	153.9	83%	0.827	82%	0.815	S	S	*	*			cis	-160.8	159.2	24.4	-91.7	139.4	0	0	0	110.6
15	S	34.9	Very low	36.6	Very low	99 Å²	99	153.9 Å²	153.9	69%	0.692	82%	0.822	S	S	*	*			trans	-87.4	145.6	176.8	114.9	0	0	0	0	111.6
16	N	42.4	Very low	36.5	Very low	151 Å²	151	146.6 Å²	146.6	81%	0.807	82%	0.817	S	S	*	*			trans	-159.1	119.6	140.6	-113.5	-13.4	0	0	0	114.9
17	K	37.4	Very low	36.1	Very low	173 Å²	173	147.2 Å²	147.2	75%	0.752	82%	0.815	S	S	*	*			trans	-6.4	131.6	156.7	-62.1	172.6	176.6	179.3	0	120.4
18	N	37.6	Very low	35.8	Very low	160 Å²	160	154 Å²	154	86%	0.856	82%	0.817	S	S	*	*				-175.9	131.6	111.1	-92	-15.9	0	0	0	111.3
19	P	40.4	Very low	35.9	Very low	124 Å²	124	161.3 Å²	161.3	81%	0.805	83%	0.825	S	S	*	*			trans	-103.4	146	-179.6	36.8	-28.3	0	0	0	113
20	C	38.9	Very low	35.6	Very low	129 Å²	129	161.1 Å²	161.1	87%	0.872	82%	0.824	S	S	*	*			trans	-150.3	103.7	155.3	-146.4	0	0	0	0	111.9
21	V	36.2	Very low	35.3	Very low	124 Å²	124	159.5 Å²	159.5	75%	0.752	82%	0.819	S	S	*	*			trans	-3	119.1	148.8	-173.4	0	0	0	0	117.6
22	F	34.3	Very low	35.1	Very low	204 Å²	204	159.2 Å²	159.2	90%	0.895	82%	0.824	S	S	*	*				-165.6	132.9	118.2	-128.4	-97	0	0	0	112.1
23	K	33.5	Very low	35.2	Very low	184 Å²	184	152.1 Å²	152.1	80%	0.8	81%	0.809	S	S	*	*			trans	-75.8	137.6	177.8	-82.5	169.2	168.5	174	0	110.8
24	Q	32	Very low	34.8	Very low	197 Å²	197	149 Å²	149	92%	0.921	81%	0.806	S	S	*	*			trans	-152.9	103	140.6	-115.3	168.4	-5.6	0	0	110
25	L	31.5	Very low	34.4	Very low	174 Å²	174	147.4 Å²	147.4	91%	0.911	80%	0.803	S	S	*	*			trans	-78.6	130.4	160.1	-84.9	131.5	0	0	0	107.5
26	G	34.7	Very low	34.1	Very low	73 Å²	73	150.3 Å²	150.3	75%	0.753	81%	0.81	S	S	*	*			trans	-176.8	95.7	175.5	0	0	0	0	0	113.3
27	C	33.8	Very low	33.6	Very low	110 Å²	110	152.5 Å²	152.5	74%	0.743	81%	0.813	S	S	*	*			trans	56.7	104.6	153.2	-72.8	0	0	0	0	120.3	W29	C27-W29 PolarHBondContact O-N 3.42Å
28	R	31.5	Very low	33.4	Very low	249 Å²	249	149 Å²	149	94%	0.94	82%	0.815	S	S	*	*			trans	-57.3	117.1	141.6	-86.2	175.8	163.7	-179	-5.2	109.5
29	W	35.4	Very low	33.5	Very low	217 Å²	217	143.8 Å²	143.8	82%	0.822	80%	0.8	S	S	*	*			trans	-124.7	120.5	153.2	-81.7	90.8	0	0	0	107.9	C27 S31	C27-W29 PolarHBondContact O-N 3.42Å; W29-S31 PolarHBondContact O-N 2.54Å
30	L	32.1	Very low	34.1	Very low	172 Å²	172	139.7 Å²	139.7	90%	0.901	78%	0.776	S	S	*	*			trans	-68.5	108.9	161.6	-80	115.1	0	0	0	107.2
31	S	33.2	Very low	34.6	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	77%	0.769	S	S	*	*			trans	-103.7	104.1	166	64	0	0	0	0	109.3	W29 S33	W29-S31 PolarHBondContact O-N 2.54Å; S31-S33 PolarHBondContact O-N 3.04Å
32	T	29.6	Very low	35.4	Very low	150 Å²	150	136.2 Å²	136.2	92%	0.92	75%	0.749	S	S	*	*			trans	-69.7	86.6	155.6	44.9	0	0	0	0	107.9
33	S	34.5	Very low	36.6	Very low	76 Å²	76	131 Å²	131	53%	0.531	73%	0.726	S	S	.	*			trans	-126.3	98.8	164.4	52.9	0	0	0	0	106.6	S31 T35	S31-S33 PolarHBondContact O-N 3.04Å; S33-T35 VanDerWaalsContact C-N 3.26Å; S33-T35 PolarHBondContact O-N 2.99Å
34	S	28.8	Very low	38.2	Very low	111 Å²	111	125 Å²	125	78%	0.776	71%	0.707	S	S	*	*			trans	-56.7	99.4	156.5	54.8	0	0	0	0	106.5	L36	S34-L36 PolarHBondContact O-N 2.57Å
35	T	29.7	Very low	40.1	Very low	125 Å²	125	118.2 Å²	118.2	77%	0.767	68%	0.681	S	S	*	*			trans	-63.4	93.7	164	41.7	0	0	0	0	106.5	S33 K37	S33-T35 VanDerWaalsContact C-N 3.26Å; S33-T35 PolarHBondContact O-N 2.99Å; T35-K37 VanDerWaalsContact C-N 3.31Å; T35-K37 PolarHBondContact O-N 2.89Å
36	L	28.8	Very low	42.1	Very low	159 Å²	159	110.8 Å²	110.8	83%	0.832	64%	0.642	S	S	*	*			trans	-44.6	106.4	149.6	-85.9	146.4	0	0	0	105.1	S34 A38	S34-L36 PolarHBondContact O-N 2.57Å; L36-A38 PolarHBondContact O-N 2.93Å
37	K	31.1	Very low	44.1	Very low	198 Å²	198	111.6 Å²	111.6	86%	0.861	63%	0.629	S	S	*	*			trans	-51.4	113.7	165.5	-87.1	-178.2	174.2	177.6	0	105	T35 G39	T35-K37 VanDerWaalsContact C-N 3.31Å; T35-K37 PolarHBondContact O-N 2.89Å; K37-G39 PolarHBondContact O-N 3.12Å
38	A	33.9	Very low	46.1	Very low	98 Å²	98	111.7 Å²	111.7	81%	0.81	62%	0.619	S	S	*	*			trans	-41.4	113.5	176.1	0	0	0	0	0	108.1	L36 A40	L36-A38 PolarHBondContact O-N 2.93Å; A38-A40 PolarHBondContact O-N 3.27Å
39	G	39.2	Very low	48.1	Very low	52 Å²	52	102.9 Å²	102.9	54%	0.536	59%	0.588	S	S	.	*			trans	-54.8	132.6	170.4	0	0	0	0	0	106.9	K37	K37-G39 PolarHBondContact O-N 3.12Å
40	A	53.5	Low	49.8	Very low	37 Å²	37	99.2 Å²	99.2	31%	0.306	57%	0.574	S	S	.	*			trans	-48.3	151.2	175.2	0	0	0	0	0	109.8	A38 E42 F43	A38-A40 PolarHBondContact O-N 3.27Å; A40-E42 HydrophobicContact CB-CB 4Å; A40-E42 HydrophobicContact CB-CG 3.87Å; A40-E42 PolarHBondContact O-N 3.02Å; A40-F43 PolarHBondContact O-N 3.14Å
41	P	49.7	Very low	52	Low	110 Å²	110	97.7 Å²	97.7	71%	0.714	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.3	-21	174.1	18.8	-31.5	0	0	0	113.2	F43 S44	P41-F43 PolarHBondContact O-N 2.82Å; P41-S44 WeakPolarHBondContact O-CB 3.31Å; P41-S44 PolarHBondContact O-N 3.11Å; P41-S44 PolarHBondContact O-OG 3.14Å
42	E	53.1	Low	54	Low	70 Å²	70	100.1 Å²	100.1	33%	0.327	57%	0.57	S	S	.	*	H	α-helix	trans	-49.6	-31.1	169.6	-59.3	167	-161.4	0	0	115.1	A40 S45	A40-E42 HydrophobicContact CB-CB 4Å; A40-E42 HydrophobicContact CB-CG 3.87Å; A40-E42 PolarHBondContact O-N 3.02Å; E42-S45 PolarHBondContact O-OG 3.42Å
43	F	59	Low	55.3	Low	96 Å²	96	95.8 Å²	95.8	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-81.8	-18.7	175.2	-75.9	-84.5	0	0	0	113	A40 P41 L47	A40-F43 PolarHBondContact O-N 3.14Å; P41-F43 PolarHBondContact O-N 2.82Å; F43-L47 HydrophobicContact CB-CD1 4.27Å; F43-L47 VanDerWaalsContact O-CB 3.3Å; F43-L47 WeakPolarHBondContact O-CB 3.47Å; F43-L47 WeakPolarHBondContact O-CD1 3.47Å; F43-L47 WeakPolarHBondContact O-CG 3.47Å; F43-L47 PolarHBondContact O-N 3.48Å
44	S	67.7	Low	56.2	Low	56 Å²	56	101 Å²	101	39%	0.392	57%	0.571	S	S	.	*	H	α-helix	trans	-68.1	-40.3	-174.9	79.8	0	0	0	0	111.5	P41 I46 L47 E48	P41-S44 WeakPolarHBondContact O-CB 3.31Å; P41-S44 PolarHBondContact O-N 3.11Å; P41-S44 PolarHBondContact O-OG 3.14Å; S44-I46 PolarHBondContact O-N 3.34Å; S44-L47 PolarHBondContact O-N 3.24Å; S44-E48 VanDerWaalsContact O-CB 3.28Å; S44-E48 WeakPolarHBondContact O-CB 3.45Å; S44-E48 WeakPolarHBondContact O-CG 3.21Å; S44-E48 PolarHBondContact O-N 2.97Å
45	S	72.4	Confident	57.4	Low	55 Å²	55	99.3 Å²	99.3	39%	0.385	56%	0.556	S	S	.	*	H	α-helix	trans	-64.7	-40.2	179.4	61.4	0	0	0	0	112.6	E42 E48 E49	E42-S45 PolarHBondContact O-OG 3.42Å; S45-E48 PolarHBondContact O-N 3.01Å; S45-E49 WeakPolarHBondContact O-CG 3.4Å; S45-E49 PolarHBondContact O-N 2.96Å
46	I	72.8	Confident	58.7	Low	19 Å²	19	98.8 Å²	98.8	10%	0.097	55%	0.548	C	S	.	.	H	α-helix	trans	-71.9	-38.6	176.9	-65.1	175.7	0	0	0	111	S44 E49 R50 L67 Y77	S44-I46 PolarHBondContact O-N 3.34Å; I46-E49 PolarHBondContact O-N 3.31Å; I46-R50 WeakPolarHBondContact O-CG 3.49Å; I46-R50 PolarHBondContact O-N 2.9Å; I46-L67 HydrophobicContact CD1-CD2 3.29Å; I46-Y77 HydrophobicContact CD1-CD1 3.99Å; I46-Y77 HydrophobicContact CD1-CD2 4.1Å; I46-Y77 HydrophobicContact CD1-CE1 4.45Å; I46-Y77 HydrophobicContact CD1-CG 3.79Å; I46-Y77 HydrophobicContact CG2-CE1 4.09Å; I46-Y77 HydrophobicContact CG2-CE2 4.2Å
47	L	76.1	Confident	60	Low	89 Å²	89	98.5 Å²	98.5	47%	0.466	54%	0.542	S	S	.	.	H	α-helix	trans	-66.5	-39.9	174.3	-70.3	170.1	0	0	0	111	F43 S44 R50 I51	F43-L47 HydrophobicContact CB-CD1 4.27Å; F43-L47 VanDerWaalsContact O-CB 3.3Å; F43-L47 WeakPolarHBondContact O-CB 3.47Å; F43-L47 WeakPolarHBondContact O-CD1 3.47Å; F43-L47 WeakPolarHBondContact O-CG 3.47Å; F43-L47 PolarHBondContact O-N 3.48Å; S44-L47 PolarHBondContact O-N 3.24Å; L47-R50 PolarHBondContact O-N 3.26Å; L47-I51 WeakPolarHBondContact O-CB 3.4Å; L47-I51 WeakPolarHBondContact O-CD1 3.44Å; L47-I51 WeakPolarHBondContact O-CG1 3.41Å; L47-I51 PolarHBondContact O-N 2.79Å
48	E	77	Confident	60.9	Low	113 Å²	113	93.8 Å²	93.8	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-58.9	-48.4	171.9	-79.6	169.7	-157.7	0	0	110.9	S44 S45 R50 I51 L52	S44-E48 VanDerWaalsContact O-CB 3.28Å; S44-E48 WeakPolarHBondContact O-CB 3.45Å; S44-E48 WeakPolarHBondContact O-CG 3.21Å; S44-E48 PolarHBondContact O-N 2.97Å; S45-E48 PolarHBondContact O-N 3.01Å; E48-R50 VanDerWaalsContact C-N 3.29Å; E48-R50 PolarHBondContact O-N 3.45Å; E48-I51 PolarHBondContact O-N 3.45Å; E48-I51 VanDerWaalsContact O-N 3.14Å; E48-L52 WeakPolarHBondContact O-CB 3.06Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.32Å; E48-L52 PolarHBondContact O-N 2.93Å
49	E	72.7	Confident	62.7	Low	64 Å²	64	93.5 Å²	93.5	30%	0.299	52%	0.515	S	S	.	.	H	α-helix	trans	-60.9	-35.6	175.1	-78.6	-173.9	171.8	0	0	112.8	S45 I46 T55 R65	S45-E49 WeakPolarHBondContact O-CG 3.4Å; S45-E49 PolarHBondContact O-N 2.96Å; I46-E49 PolarHBondContact O-N 3.31Å; E49-T55 HydrophobicContact CB-CG2 4.27Å; E49-R65 IonicContact OE1-CZ 3.64Å; E49-R65 IonicContact OE1-NH1 2.7Å; E49-R65 PolarHBondContact OE1-NH1 3.11Å; E49-R65 IonicContact OE1-NH2 3.77Å; E49-R65 IonicContact OE2-NH1 3.63Å
50	R	70.7	Confident	64.4	Low	140 Å²	140	93 Å²	93	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-70.1	-38	174.1	-75.3	-178.6	-177	-173.5	2.6	112.1	I46 L47 E48 G53 Y77	I46-R50 WeakPolarHBondContact O-CG 3.49Å; I46-R50 PolarHBondContact O-N 2.9Å; L47-R50 PolarHBondContact O-N 3.26Å; E48-R50 VanDerWaalsContact C-N 3.29Å; E48-R50 PolarHBondContact O-N 3.45Å; R50-G53 PolarHBondContact O-N 3.13Å; R50-Y77 PolarHBondContact NE-OH 3.22Å; R50-Y77 PolarHBondContact NH2-OH 3.49Å
51	I	78	Confident	65.7	Low	140 Å²	140	95.3 Å²	95.3	72%	0.718	51%	0.505	S	S	*	.	H	α-helix	trans	-70.3	-38.5	177.9	-69.5	162.7	0	0	0	110.9	L47 E48 G53	L47-I51 WeakPolarHBondContact O-CB 3.4Å; L47-I51 WeakPolarHBondContact O-CD1 3.44Å; L47-I51 WeakPolarHBondContact O-CG1 3.41Å; L47-I51 PolarHBondContact O-N 2.79Å; E48-I51 PolarHBondContact O-N 3.45Å; E48-I51 VanDerWaalsContact O-N 3.14Å; I51-G53 PolarHBondContact O-N 3.37Å
52	L	75.9	Confident	67.4	Low	145 Å²	145	94.2 Å²	94.2	76%	0.759	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-6.7	176.9	-68.6	170.7	0	0	0	113.4	E48 Q54	E48-L52 WeakPolarHBondContact O-CB 3.06Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.32Å; E48-L52 PolarHBondContact O-N 2.93Å; L52-Q54 PolarHBondContact O-N 3.29Å
53	G	57.3	Low	69.2	Low	58 Å²	58	92.9 Å²	92.9	60%	0.598	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	16.5	147.2	0	0	0	0	0	118.3	R50 I51	R50-G53 PolarHBondContact O-N 3.13Å; I51-G53 PolarHBondContact O-N 3.37Å
54	Q	53.3	Low	70.8	Confident	185 Å²	185	88.3 Å²	88.3	86%	0.864	47%	0.467	S	S	*	.			trans	-153.1	38.8	179.5	-125.4	178.9	25	0	0	115.8	L52	L52-Q54 PolarHBondContact O-N 3.29Å
55	T	54.5	Low	72	Confident	76 Å²	76	91.5 Å²	91.5	47%	0.466	47%	0.47	S	S	.	.			trans	-88.7	117.5	-179.6	37.8	0	0	0	0	112.8	E49 Q57	E49-T55 HydrophobicContact CB-CG2 4.27Å; T55-Q57 PolarHBondContact O-N 3.42Å
56	L	56.4	Low	73	Confident	114 Å²	114	89 Å²	89	60%	0.597	45%	0.453	S	S	*	.			trans	-34.8	96.2	175.6	-73.7	133.1	0	0	0	113.5	T58 N59	L56-T58 PolarHBondContact O-N 3.41Å; L56-T58 VanDerWaalsContact O-N 3.13Å; L56-N59 HydrophobicContact CB-CB 4.48Å; L56-N59 PolarHBondContact O-N 2.94Å
57	Q	54.7	Low	74	Confident	153 Å²	153	89.1 Å²	89.1	72%	0.715	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-55.8	-31.9	176.2	-73.6	-167.9	-7.4	0	0	112.2	T55 N59 L60	T55-Q57 PolarHBondContact O-N 3.42Å; Q57-N59 VanDerWaalsContact C-N 3.34Å; Q57-N59 PolarHBondContact O-N 2.97Å; Q57-L60 PolarHBondContact O-N 3.26Å
58	T	52	Low	74.7	Confident	99 Å²	99	86.4 Å²	86.4	61%	0.607	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-65.8	-27.6	-177.4	40.2	0	0	0	0	114.3	L56	L56-T58 PolarHBondContact O-N 3.41Å; L56-T58 VanDerWaalsContact O-N 3.13Å
59	N	69.9	Low	75.4	Confident	93 Å²	93	83.4 Å²	83.4	50%	0.497	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-79.8	-26.5	180	-84.1	-14.8	0	0	0	113.1	L56 Q57 E61 T63	L56-N59 HydrophobicContact CB-CB 4.48Å; L56-N59 PolarHBondContact O-N 2.94Å; Q57-N59 VanDerWaalsContact C-N 3.34Å; Q57-N59 PolarHBondContact O-N 2.97Å; N59-E61 VanDerWaalsContact C-N 3.27Å; N59-E61 PolarHBondContact O-N 2.89Å; N59-T63 WeakPolarHBondContact O-CB 3.25Å; N59-T63 PolarHBondContact O-N 3.44Å; N59-T63 VanDerWaalsContact O-N 3.11Å; N59-T63 PolarHBondContact O-OG1 3.41Å
60	L	75.4	Confident	76.2	Confident	41 Å²	41	82.2 Å²	82.2	22%	0.215	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-78.5	-7.5	-175.9	-66.3	178.4	0	0	0	114.2	Q57 T63 Y77 L79 K80	Q57-L60 PolarHBondContact O-N 3.26Å; L60-T63 CarbonylContact C-O 3.5Å; L60-T63 WeakPolarHBondContact CA-O 3.48Å; L60-Y77 HydrophobicContact CD1-CE1 4.26Å; L60-Y77 HydrophobicContact CD2-CE1 4.41Å; L60-L79 PolarHBondContact O-N 2.97Å; L60-K80 PolarHBondContact O-N 3.25Å
61	E	80.2	Confident	76.9	Confident	86 Å²	86	81.2 Å²	81.2	40%	0.402	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-45.6	177.5	-69	-170.2	-178.5	0	0	111.9	N59 L79 K80 N81	N59-E61 VanDerWaalsContact C-N 3.27Å; N59-E61 PolarHBondContact O-N 2.89Å; E61-L79 CarbonylContact O-C 3.58Å; E61-K80 PolarHBondContact O-N 3.46Å; E61-N81 PolarHBondContact O-N 3.39Å
62	E	86.3	Confident	77.5	Confident	87 Å²	87	75.2 Å²	75.2	41%	0.407	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-17.6	-174.9	-63.3	-57.9	149.4	0	0	114	L79 N81 R125	E62-L79 WeakPolarHBondContact O-CD2 3.26Å; E62-N81 PolarHBondContact OE1-ND2 3.01Å; E62-R125 PolarHBondContact O-N 3.36Å; E62-R125 IonicContact OE1-NH1 3.5Å; E62-R125 PolarHBondContact OE1-NH1 3.4Å; E62-R125 WeakPolarHBondContact OE2-CD 3.42Å; E62-R125 IonicContact OE2-CZ 3.09Å; E62-R125 IonicContact OE2-NE 3.3Å; E62-R125 IonicContact OE2-NH1 3.13Å; E62-R125 PolarHBondContact OE2-NH1 3.41Å
63	T	91.4	Very high	78.2	Confident	41 Å²	41	69.2 Å²	69.2	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152	177.8	73.4	0	0	0	0	111.3	N59 L60 L79 V123 K124	N59-T63 WeakPolarHBondContact O-CB 3.25Å; N59-T63 PolarHBondContact O-N 3.44Å; N59-T63 VanDerWaalsContact O-N 3.11Å; N59-T63 PolarHBondContact O-OG1 3.41Å; L60-T63 CarbonylContact C-O 3.5Å; L60-T63 WeakPolarHBondContact CA-O 3.48Å; T63-L79 PolarHBondContact O-N 3.08Å; T63-V123 CarbonylContact C-O 3.57Å; T63-V123 WeakPolarHBondContact CA-O 3.44Å; T63-K124 HydrophobicContact CG2-CG 4.2Å
64	G	91.8	Very high	79.9	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	171.8	173.8	0	0	0	0	0	111.8	Y77 I122 V123	G64-Y77 CarbonylContact C-O 3.56Å; G64-Y77 WeakPolarHBondContact CA-O 3.43Å; G64-I122 WeakPolarHBondContact O-CA 3.26Å; G64-V123 PolarHBondContact N-O 3.26Å; G64-V123 PolarHBondContact O-N 2.8Å
65	R	92.7	Very high	81.9	Confident	122 Å²	122	61.5 Å²	61.5	46%	0.46	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.9	174.8	-67.8	-174	-179.2	172.7	3.3	110.3	E49 L67 V76 Y77 D121	E49-R65 IonicContact OE1-CZ 3.64Å; E49-R65 IonicContact OE1-NH1 2.7Å; E49-R65 PolarHBondContact OE1-NH1 3.11Å; E49-R65 IonicContact OE1-NH2 3.77Å; E49-R65 IonicContact OE2-NH1 3.63Å; R65-L67 PolarHBondContact O-N 2.77Å; R65-V76 CarbonylContact O-C 3.51Å; R65-V76 WeakPolarHBondContact O-CA 3.2Å; R65-Y77 PolarHBondContact N-O 2.55Å; R65-Y77 PolarHBondContact O-N 3.15Å; R65-D121 CarbonylContact C-O 3.52Å; R65-D121 WeakPolarHBondContact CA-O 3.43Å
66	V	94.3	Very high	83.8	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	121.3	174.5	179.5	0	0	0	0	109.3	I69 A74 R75 V76 F90 I117 G120 D121 V123	V66-I69 HydrophobicContact CG1-CB 4.33Å; V66-A74 HydrophobicContact CG1-CB 4.49Å; V66-R75 CarbonylContact C-O 3.59Å; V66-V76 HydrophobicContact CG2-CG2 4.44Å; V66-F90 HydrophobicContact CG2-CD1 4.06Å; V66-F90 HydrophobicContact CG2-CE1 3.93Å; V66-I117 HydrophobicContact CG1-CG2 4.3Å; V66-I117 HydrophobicContact CG2-CG2 4.04Å; V66-G120 PolarHBondContact O-N 2.63Å; V66-D121 HydrophobicContact CB-CB 4.46Å; V66-D121 HydrophobicContact CG2-CB 4.03Å; V66-D121 PolarHBondContact N-O 3.26Å; V66-V123 HydrophobicContact CG2-CG2 3.55Å
67	L	92.4	Very high	85.5	Confident	22 Å²	22	54.2 Å²	54.2	12%	0.115	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-46.4	172.3	-63.8	177.8	0	0	0	111.3	I46 R65 R75 N105 E119	I46-L67 HydrophobicContact CD1-CD2 3.29Å; R65-L67 PolarHBondContact O-N 2.77Å; L67-R75 HydrophobicContact CB-CB 4.24Å; L67-R75 WeakPolarHBondContact CB-O 3.14Å; L67-R75 PolarHBondContact N-O 3.05Å; L67-N105 HydrophobicContact CD1-CB 3.87Å; L67-E119 WeakPolarHBondContact O-CG 3.33Å
68	S	92.2	Very high	87.2	Confident	32 Å²	32	47.6 Å²	47.6	22%	0.224	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	144.7	-175.6	69.4	0	0	0	0	109	A74 R75	S68-A74 CarbonylContact O-C 3.58Å; S68-A74 WeakPolarHBondContact O-CA 3.31Å; S68-R75 PolarHBondContact O-N 2.87Å; S68-R75 WeakPolarHBondContact OG-CB 3.17Å; S68-R75 WeakPolarHBondContact OG-CD 3.33Å
69	I	92	Very high	89	Confident	49 Å²	49	42.9 Å²	42.9	25%	0.251	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.1	174.1	176.2	61.1	0	0	0	108.6	V66 I73 A74 V110 D114 I117	V66-I69 HydrophobicContact CG1-CB 4.33Å; I69-I73 WeakPolarHBondContact CA-O 3.4Å; I69-I73 WeakPolarHBondContact CD1-O 3.41Å; I69-A74 HydrophobicContact CD1-CB 4.07Å; I69-V110 HydrophobicContact CD1-CG2 3.98Å; I69-D114 HydrophobicContact CD1-CB 4.09Å; I69-D114 HydrophobicContact CG1-CB 4.23Å; I69-I117 HydrophobicContact CB-CG2 4.29Å; I69-I117 HydrophobicContact CG1-CB 4.21Å; I69-I117 HydrophobicContact CG1-CG2 4.18Å; I69-I117 HydrophobicContact CG2-CG2 4.49Å
70	G	88.7	Confident	90	Very high	39 Å²	39	45 Å²	45	40%	0.402	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	140.5	174.7	0	0	0	0	0	111.7	G72 I73	G70-G72 PolarHBondContact O-N 2.91Å; G70-G72 VanDerWaalsContact O-N 3.13Å; G70-I73 PolarHBondContact N-O 2.93Å; G70-I73 PolarHBondContact O-N 3.14Å
71	D	86.4	Confident	90.7	Very high	119 Å²	119	46.5 Å²	46.5	64%	0.636	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	39.2	177.9	-60	-36.7	0	0	0	113.8	L319	D71-L319 HydrophobicContact CB-CD1 3.77Å; D71-L319 HydrophobicContact CB-CD2 3.76Å; D71-L319 HydrophobicContact CB-CG 4.4Å; D71-L319 WeakPolarHBondContact O-CD1 3.42Å
72	G	88.8	Confident	91.4	Very high	14 Å²	14	43.1 Å²	43.1	14%	0.144	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	12.5	-178.3	0	0	0	0	0	116.2	G70 V110 D114	G70-G72 PolarHBondContact O-N 2.91Å; G70-G72 VanDerWaalsContact O-N 3.13Å; G72-V110 WeakPolarHBondContact O-CB 3.33Å; G72-V110 PolarHBondContact O-N 3.07Å; G72-D114 PolarHBondContact N-OD2 3.28Å
73	I	91.7	Very high	91.7	Very high	19 Å²	19	44 Å²	44	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.4	175.4	-55	-155.9	0	0	0	110.8	I69 G70 V109 L319 L320	I69-I73 WeakPolarHBondContact CA-O 3.4Å; I69-I73 WeakPolarHBondContact CD1-O 3.41Å; G70-I73 PolarHBondContact N-O 2.93Å; G70-I73 PolarHBondContact O-N 3.14Å; I73-V109 HydrophobicContact CD1-CG1 4.28Å; I73-V109 HydrophobicContact CG1-CG1 4.36Å; I73-L319 HydrophobicContact CD1-CB 3.31Å; I73-L319 HydrophobicContact CD1-CD1 4.45Å; I73-L319 HydrophobicContact CG1-CB 4.02Å; I73-L319 HydrophobicContact CG1-CD1 4.47Å; I73-L320 HydrophobicContact CD1-CB 4.44Å; I73-L320 HydrophobicContact CD1-CD2 3.72Å; I73-L320 HydrophobicContact CD1-CG 3.61Å; I73-L320 HydrophobicContact CG2-CD2 3.84Å
74	A	93.9	Very high	91.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.1	172.5	0	0	0	0	0	110.5	V66 S68 I69 V76 F90 V108 V110	V66-A74 HydrophobicContact CG1-CB 4.49Å; S68-A74 CarbonylContact O-C 3.58Å; S68-A74 WeakPolarHBondContact O-CA 3.31Å; I69-A74 HydrophobicContact CD1-CB 4.07Å; A74-V76 HydrophobicContact CB-CG2 4.24Å; A74-F90 HydrophobicContact CB-CE1 3.78Å; A74-F90 HydrophobicContact CB-CZ 3.82Å; A74-V108 HydrophobicContact CB-CB 4.42Å; A74-V108 PolarHBondContact N-O 3.12Å; A74-V108 PolarHBondContact O-N 2.85Å; A74-V110 HydrophobicContact CB-CG2 4.32Å
75	R	93.9	Very high	91.6	Very high	82 Å²	82	47.8 Å²	47.8	31%	0.309	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.4	163	-66.1	-176	171.5	-138.7	-15.7	108.1	V66 L67 S68 V106	V66-R75 CarbonylContact C-O 3.59Å; L67-R75 HydrophobicContact CB-CB 4.24Å; L67-R75 WeakPolarHBondContact CB-O 3.14Å; L67-R75 PolarHBondContact N-O 3.05Å; S68-R75 PolarHBondContact O-N 2.87Å; S68-R75 WeakPolarHBondContact OG-CB 3.17Å; S68-R75 WeakPolarHBondContact OG-CD 3.33Å; R75-V106 WeakPolarHBondContact CA-O 3.42Å
76	V	94.1	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126	-173.3	-173.9	0	0	0	0	109.5	R65 V66 A74 L79 N105 V106 V108 V123	R65-V76 CarbonylContact O-C 3.51Å; R65-V76 WeakPolarHBondContact O-CA 3.2Å; V66-V76 HydrophobicContact CG2-CG2 4.44Å; A74-V76 HydrophobicContact CB-CG2 4.24Å; V76-L79 HydrophobicContact CB-CD1 4.14Å; V76-L79 HydrophobicContact CG1-CD1 3.59Å; V76-L79 HydrophobicContact CG1-CG 4.15Å; V76-N105 CarbonylContact O-C 3.58Å; V76-N105 VanDerWaalsContact O-CA 3.3Å; V76-N105 WeakPolarHBondContact O-CA 3.4Å; V76-V106 PolarHBondContact N-O 3.47Å; V76-V106 PolarHBondContact O-N 3.19Å; V76-V108 HydrophobicContact CG2-CB 4.44Å; V76-V108 HydrophobicContact CG2-CG2 3.93Å; V76-V123 HydrophobicContact CG1-CB 3.89Å; V76-V123 HydrophobicContact CG1-CG1 4.46Å; V76-V123 HydrophobicContact CG1-CG2 3.83Å; V76-V123 HydrophobicContact CG2-CB 4.49Å; V76-V123 HydrophobicContact CG2-CG2 3.87Å
77	Y	92.3	Very high	91.6	Very high	37 Å²	37	42.7 Å²	42.7	15%	0.145	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.8	172.6	178	-99.5	0	0	0	110.6	I46 R50 L60 G64 R65 D104	I46-Y77 HydrophobicContact CD1-CD1 3.99Å; I46-Y77 HydrophobicContact CD1-CD2 4.1Å; I46-Y77 HydrophobicContact CD1-CE1 4.45Å; I46-Y77 HydrophobicContact CD1-CG 3.79Å; I46-Y77 HydrophobicContact CG2-CE1 4.09Å; I46-Y77 HydrophobicContact CG2-CE2 4.2Å; R50-Y77 PolarHBondContact NE-OH 3.22Å; R50-Y77 PolarHBondContact NH2-OH 3.49Å; L60-Y77 HydrophobicContact CD1-CE1 4.26Å; L60-Y77 HydrophobicContact CD2-CE1 4.41Å; G64-Y77 CarbonylContact C-O 3.56Å; G64-Y77 WeakPolarHBondContact CA-O 3.43Å; R65-Y77 PolarHBondContact N-O 2.55Å; R65-Y77 PolarHBondContact O-N 3.15Å; Y77-D104 WeakPolarHBondContact CD2-O 3.36Å
78	G	90.6	Very high	91.7	Very high	13 Å²	13	41.7 Å²	41.7	13%	0.134	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101	-143.2	-174.3	0	0	0	0	0	111.6	K80	G78-K80 VanDerWaalsContact C-N 3.28Å; G78-K80 PolarHBondContact O-N 3.23Å
79	L	91	Very high	91.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.239	C	C	.	.			trans	52.6	42	-177.6	-56.5	172.9	0	0	0	113	L60 E61 E62 T63 V76 N81 I82 V88 V123 R125	L60-L79 PolarHBondContact O-N 2.97Å; E61-L79 CarbonylContact O-C 3.58Å; E62-L79 WeakPolarHBondContact O-CD2 3.26Å; T63-L79 PolarHBondContact O-N 3.08Å; V76-L79 HydrophobicContact CB-CD1 4.14Å; V76-L79 HydrophobicContact CG1-CD1 3.59Å; V76-L79 HydrophobicContact CG1-CG 4.15Å; L79-N81 PolarHBondContact O-N 3.36Å; L79-I82 HydrophobicContact CB-CB 4.06Å; L79-I82 HydrophobicContact CB-CD1 4.4Å; L79-I82 HydrophobicContact CB-CG2 4.14Å; L79-I82 HydrophobicContact CD1-CD1 3.97Å; L79-I82 VanDerWaalsContact O-CB 3.31Å; L79-I82 WeakPolarHBondContact O-CB 3.39Å; L79-I82 WeakPolarHBondContact O-CG2 3.29Å; L79-I82 PolarHBondContact O-N 3.48Å; L79-V88 HydrophobicContact CD1-CG1 4.42Å; L79-V123 HydrophobicContact CD1-CB 4.46Å; L79-V123 HydrophobicContact CD1-CG1 4.09Å; L79-R125 HydrophobicContact CD2-CG 3.63Å
80	K	89.7	Confident	91.9	Very high	136 Å²	136	42.7 Å²	42.7	59%	0.591	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29	-171.4	-66.5	-177.3	178	178.6	0	114.1	L60 E61 G78	L60-K80 PolarHBondContact O-N 3.25Å; E61-K80 PolarHBondContact O-N 3.46Å; G78-K80 VanDerWaalsContact C-N 3.28Å; G78-K80 PolarHBondContact O-N 3.23Å
81	N	91.4	Very high	92	Very high	74 Å²	74	44.3 Å²	44.3	40%	0.396	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	3.6	-178.2	-69.2	-16.2	0	0	0	113.5	E61 E62 L79 R125	E61-N81 PolarHBondContact O-N 3.39Å; E62-N81 PolarHBondContact OE1-ND2 3.01Å; L79-N81 PolarHBondContact O-N 3.36Å; N81-R125 VanDerWaalsContact C-CZ 3.48Å; N81-R125 PolarHBondContact O-NH1 2.93Å; N81-R125 PolarHBondContact O-NH2 3.28Å
82	I	93.1	Very high	92.2	Very high	15 Å²	15	40.9 Å²	40.9	8%	0.077	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-65.4	139.2	-176.5	-161.9	161.3	0	0	0	112.3	L79 E86 V88 A98 L101 V106 R125	L79-I82 HydrophobicContact CB-CB 4.06Å; L79-I82 HydrophobicContact CB-CD1 4.4Å; L79-I82 HydrophobicContact CB-CG2 4.14Å; L79-I82 HydrophobicContact CD1-CD1 3.97Å; L79-I82 VanDerWaalsContact O-CB 3.31Å; L79-I82 WeakPolarHBondContact O-CB 3.39Å; L79-I82 WeakPolarHBondContact O-CG2 3.29Å; L79-I82 PolarHBondContact O-N 3.48Å; I82-E86 HydrophobicContact CG1-CB 3.9Å; I82-E86 HydrophobicContact CG1-CG 4.45Å; I82-V88 HydrophobicContact CD1-CG1 3.32Å; I82-A98 HydrophobicContact CD1-CB 3.65Å; I82-A98 HydrophobicContact CG1-CB 4.12Å; I82-L101 HydrophobicContact CG2-CD2 3.72Å; I82-V106 HydrophobicContact CG2-CG1 4.28Å; I82-V106 HydrophobicContact CG2-CG2 3.89Å; I82-R125 HydrophobicContact CB-CG 4.5Å; I82-R125 HydrophobicContact CD1-CG 4.41Å; I82-R125 HydrophobicContact CG1-CG 4.44Å
83	Q	92.5	Very high	92.3	Very high	105 Å²	105	42.3 Å²	42.3	49%	0.491	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-91.4	155.6	175.4	-58.6	-179.7	3	0	0	110.7	E86	Q83-E86 HydrophobicContact CB-CB 4.21Å; Q83-E86 PolarHBondContact N-OE2 3.09Å; Q83-E86 WeakPolarHBondContact O-CB 3.4Å; Q83-E86 PolarHBondContact O-N 2.81Å
84	A	91.4	Very high	92.3	Very high	59 Å²	59	43 Å²	43	49%	0.488	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	139.2	169.6	0	0	0	0	0	109.9	E86 L101	A84-E86 PolarHBondContact O-N 3.48Å; A84-L101 HydrophobicContact CB-CD1 4.35Å
85	E	91	Very high	92.3	Very high	63 Å²	63	47.8 Å²	47.8	29%	0.294	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	16.7	-175.6	-50.2	-174.6	161.7	0	0	114.4	A98 I129 V130 R339	E85-A98 VanDerWaalsContact CA-O 3.31Å; E85-A98 WeakPolarHBondContact CA-O 3.31Å; E85-A98 PolarHBondContact N-O 2.94Å; E85-I129 HydrophobicContact CB-CG2 4.37Å; E85-V130 WeakPolarHBondContact O-CG2 3.32Å; E85-V130 PolarHBondContact O-N 3.43Å; E85-R339 IonicContact OE1-NH1 3.82Å; E85-R339 PolarHBondContact OE1-NH1 3.42Å
86	E	93.7	Very high	92.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.3	173.8	-160.4	-178.6	145.1	0	0	111.7	I82 Q83 A84 M97 A98 R125 G127 A128	I82-E86 HydrophobicContact CG1-CB 3.9Å; I82-E86 HydrophobicContact CG1-CG 4.45Å; Q83-E86 HydrophobicContact CB-CB 4.21Å; Q83-E86 PolarHBondContact N-OE2 3.09Å; Q83-E86 WeakPolarHBondContact O-CB 3.4Å; Q83-E86 PolarHBondContact O-N 2.81Å; A84-E86 PolarHBondContact O-N 3.48Å; E86-M97 WeakPolarHBondContact O-CA 3.48Å; E86-A98 PolarHBondContact O-N 2.94Å; E86-R125 WeakPolarHBondContact OE1-CB 3.36Å; E86-R125 IonicContact OE1-CZ 2.76Å; E86-R125 IonicContact OE1-NE 3.33Å; E86-R125 PolarHBondContact OE1-NE 2.93Å; E86-R125 IonicContact OE1-NH2 3.86Å; E86-R125 PolarHBondContact OE1-NH2 3.38Å; E86-R125 IonicContact OE2-CZ 2.79Å; E86-R125 IonicContact OE2-NE 3.49Å; E86-R125 PolarHBondContact OE2-NE 3.13Å; E86-R125 IonicContact OE2-NH2 3.53Å; E86-R125 PolarHBondContact OE2-NH2 3.39Å; E86-G127 VanDerWaalsContact OE1-CA 3.3Å; E86-G127 WeakPolarHBondContact OE1-CA 3.38Å; E86-G127 PolarHBondContact OE1-N 3.26Å; E86-A128 WeakPolarHBondContact CG-O 3.4Å
87	M	92.8	Very high	92.2	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.084	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	140.5	170.7	-70.4	-64.2	-58.4	0	0	111	K95 G96 F111 A126 A128 V130	M87-K95 HydrophobicContact CE-CB 3.63Å; M87-K95 HydrophobicContact CE-CD 3.91Å; M87-K95 HydrophobicContact CE-CG 4.28Å; M87-G96 WeakPolarHBondContact CA-O 3.31Å; M87-G96 WeakPolarHBondContact CE-O 3.39Å; M87-F111 HydrophobicContact CE-CD2 3.78Å; M87-F111 HydrophobicContact CE-CE2 3.6Å; M87-F111 HydrophobicContact SD-CD2 4.37Å; M87-F111 HydrophobicContact SD-CE2 3.58Å; M87-F111 VanDerWaalsContact SD-CE2 3.58Å; M87-F111 HydrophobicContact SD-CZ 4.41Å; M87-A126 HydrophobicContact CB-CB 3.75Å; M87-A126 VanDerWaalsContact O-CB 3.24Å; M87-A126 WeakPolarHBondContact O-CB 3.43Å; M87-A126 PolarHBondContact O-N 3.01Å; M87-A128 PolarHBondContact N-O 2.88Å; M87-V130 HydrophobicContact CG-CB 4.16Å; M87-V130 HydrophobicContact CG-CG1 4.41Å; M87-V130 HydrophobicContact CG-CG2 3.84Å; M87-V130 HydrophobicContact SD-CB 3.97Å; M87-V130 HydrophobicContact SD-CG1 3.8Å; M87-V130 HydrophobicContact SD-CG2 3.42Å; M87-V130 WeakPolarHBondContact SD-CG2 3.42Å
88	V	94.4	Very high	92.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.5	170.2	-58.3	0	0	0	0	110.9	L79 I82 F90 K95 G96 V108 V123 K124	L79-V88 HydrophobicContact CD1-CG1 4.42Å; I82-V88 HydrophobicContact CD1-CG1 3.32Å; V88-F90 HydrophobicContact CG2-CE2 4.16Å; V88-F90 HydrophobicContact CG2-CZ 4.47Å; V88-K95 CarbonylContact O-C 3.56Å; V88-K95 VanDerWaalsContact O-CA 3.3Å; V88-K95 WeakPolarHBondContact O-CA 3.28Å; V88-G96 PolarHBondContact N-O 2.76Å; V88-G96 PolarHBondContact O-N 3.48Å; V88-V108 HydrophobicContact CG2-CB 4.43Å; V88-V108 HydrophobicContact CG2-CG1 3.38Å; V88-V108 HydrophobicContact CG2-CG2 4.19Å; V88-V123 HydrophobicContact CB-CG1 3.72Å; V88-V123 HydrophobicContact CG1-CG1 4.31Å; V88-V123 HydrophobicContact CG2-CG1 3.89Å; V88-K124 CarbonylContact C-O 3.48Å; V88-K124 WeakPolarHBondContact CA-O 3.29Å; V88-K124 WeakPolarHBondContact CB-O 3.35Å
89	E	94.4	Very high	92.2	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.8	176.6	-172	175.4	174.3	0	0	109.4	V123 K124	E89-V123 WeakPolarHBondContact O-CA 3.44Å; E89-K124 PolarHBondContact N-O 2.91Å; E89-K124 PolarHBondContact O-N 3.29Å
90	F	94.2	Very high	92.2	Very high	4 Å²	4	44 Å²	44	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	156.7	175.1	-66.1	-91.5	0	0	0	110.1	V66 A74 V88 S92 G93 L94 V108 V110 I117 V123	V66-F90 HydrophobicContact CG2-CD1 4.06Å; V66-F90 HydrophobicContact CG2-CE1 3.93Å; A74-F90 HydrophobicContact CB-CE1 3.78Å; A74-F90 HydrophobicContact CB-CZ 3.82Å; V88-F90 HydrophobicContact CG2-CE2 4.16Å; V88-F90 HydrophobicContact CG2-CZ 4.47Å; F90-S92 PolarHBondContact O-N 2.95Å; F90-G93 PolarHBondContact O-N 3Å; F90-L94 HydrophobicContact CD2-CB 4.4Å; F90-L94 WeakPolarHBondContact CD2-O 3.32Å; F90-L94 PolarHBondContact N-O 3.36Å; F90-V108 HydrophobicContact CE2-CG1 4.08Å; F90-V108 HydrophobicContact CZ-CB 4.4Å; F90-V108 HydrophobicContact CZ-CG1 3.76Å; F90-V110 HydrophobicContact CE2-CG2 4.06Å; F90-V110 HydrophobicContact CZ-CG2 3.9Å; F90-I117 HydrophobicContact CB-CD1 4.4Å; F90-I117 HydrophobicContact CB-CG1 4.33Å; F90-I117 HydrophobicContact CD1-CD1 3.72Å; F90-I117 HydrophobicContact CD1-CG1 4.05Å; F90-I117 HydrophobicContact CD1-CG2 3.97Å; F90-I117 HydrophobicContact CD2-CD1 3.83Å; F90-I117 HydrophobicContact CE1-CD1 3.86Å; F90-I117 HydrophobicContact CE1-CG2 4.17Å; F90-I117 HydrophobicContact CE2-CD1 3.96Å; F90-I117 HydrophobicContact CG-CD1 3.72Å; F90-I117 HydrophobicContact CG-CG1 4.1Å; F90-I117 HydrophobicContact CZ-CD1 3.98Å; F90-V123 HydrophobicContact CD1-CG2 3.6Å; F90-V123 HydrophobicContact CE1-CG2 3.7Å
91	S	91.4	Very high	92.4	Very high	73 Å²	73	41.8 Å²	41.8	51%	0.51	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.2	174.2	55	0	0	0	0	113.9	G93 D121 I122	S91-G93 PolarHBondContact O-N 3.09Å; S91-D121 WeakPolarHBondContact OG-CB 3.49Å; S91-D121 PolarHBondContact OG-OD1 2.72Å; S91-I122 PolarHBondContact N-O 3.39Å
92	S	90.3	Very high	92.4	Very high	47 Å²	47	41.7 Å²	41.7	33%	0.329	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.6	175.4	58.2	0	0	0	0	114.7	F90 L94 L116	F90-S92 PolarHBondContact O-N 2.95Å; S92-L94 PolarHBondContact O-N 2.73Å; S92-L116 WeakPolarHBondContact CB-O 3.41Å
93	G	90.9	Very high	92.2	Very high	44 Å²	44	47.4 Å²	47.4	45%	0.454	27%	0.272	S	S	.	.	S	Bend	trans	80.6	-3	-173.9	0	0	0	0	0	113.9	F90 S91	F90-G93 PolarHBondContact O-N 3Å; S91-G93 PolarHBondContact O-N 3.09Å
94	L	92	Very high	92	Very high	32 Å²	32	47.2 Å²	47.2	17%	0.168	27%	0.274	C	S	.	.			trans	-67.8	150.9	170.2	-66.5	-176.7	0	0	0	110.4	F90 S92 V110 N113 L116 I117	F90-L94 HydrophobicContact CD2-CB 4.4Å; F90-L94 WeakPolarHBondContact CD2-O 3.32Å; F90-L94 PolarHBondContact N-O 3.36Å; S92-L94 PolarHBondContact O-N 2.73Å; L94-V110 HydrophobicContact CD1-CG1 4.28Å; L94-N113 WeakPolarHBondContact CD1-O 3.48Å; L94-L116 HydrophobicContact CD1-CB 3.96Å; L94-L116 HydrophobicContact CD1-CD1 4.25Å; L94-L116 HydrophobicContact CG-CD1 4.49Å; L94-I117 HydrophobicContact CD1-CD1 4.15Å; L94-I117 HydrophobicContact CD1-CG1 4.18Å
95	K	92.8	Very high	92	Very high	102 Å²	102	45 Å²	45	44%	0.443	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	158.7	176.4	-63.6	-173.8	-179.7	-176.7	0	110.4	M87 V88 F111	M87-K95 HydrophobicContact CE-CB 3.63Å; M87-K95 HydrophobicContact CE-CD 3.91Å; M87-K95 HydrophobicContact CE-CG 4.28Å; V88-K95 CarbonylContact O-C 3.56Å; V88-K95 VanDerWaalsContact O-CA 3.3Å; V88-K95 WeakPolarHBondContact O-CA 3.28Å; K95-F111 HydrophobicContact CB-CD2 4.07Å; K95-F111 WeakPolarHBondContact O-CA 3.41Å; K95-F111 WeakPolarHBondContact O-CB 3.4Å; K95-F111 PolarHBondContact O-N 3.17Å
96	G	93.2	Very high	92.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	176	170.7	0	0	0	0	0	111.9	M87 V88 V109 F111	M87-G96 WeakPolarHBondContact CA-O 3.31Å; M87-G96 WeakPolarHBondContact CE-O 3.39Å; V88-G96 PolarHBondContact N-O 2.76Å; V88-G96 PolarHBondContact O-N 3.48Å; G96-V109 CarbonylContact C-O 3.36Å; G96-V109 WeakPolarHBondContact CA-O 3.43Å; G96-F111 VanDerWaalsContact C-CE2 3.41Å
97	M	93.2	Very high	92.1	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.9	174.7	174.9	-176.7	60.3	0	0	109.8	E86 L99 V108 V109 F111 V130 Y279	E86-M97 WeakPolarHBondContact O-CA 3.48Å; M97-L99 HydrophobicContact CE-CD1 4.07Å; M97-L99 HydrophobicContact CE-CD2 3.53Å; M97-L99 HydrophobicContact CE-CG 3.83Å; M97-L99 PolarHBondContact O-N 3.18Å; M97-L99 HydrophobicContact SD-CD2 4.25Å; M97-V108 WeakPolarHBondContact O-CA 3.39Å; M97-V109 HydrophobicContact CB-CG2 4.02Å; M97-V109 HydrophobicContact CE-CG2 3.79Å; M97-V109 PolarHBondContact N-O 3.48Å; M97-V109 WeakPolarHBondContact O-CG2 3.47Å; M97-V109 PolarHBondContact O-N 3.28Å; M97-F111 HydrophobicContact CB-CE2 3.66Å; M97-F111 HydrophobicContact CB-CZ 3.5Å; M97-F111 VanDerWaalsContact CB-CZ 3.5Å; M97-F111 HydrophobicContact CE-CZ 4.4Å; M97-V130 HydrophobicContact CB-CG2 4.33Å; M97-V130 HydrophobicContact CG-CG2 3.85Å; M97-V130 HydrophobicContact SD-CG2 3.63Å; M97-Y279 HydrophobicContact CE-CD1 4.44Å; M97-Y279 HydrophobicContact CE-CE1 3.92Å
98	A	93.4	Very high	92.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121.2	174.1	0	0	0	0	0	110.5	I82 E85 E86 L101 V106	I82-A98 HydrophobicContact CD1-CB 3.65Å; I82-A98 HydrophobicContact CG1-CB 4.12Å; E85-A98 VanDerWaalsContact CA-O 3.31Å; E85-A98 WeakPolarHBondContact CA-O 3.31Å; E85-A98 PolarHBondContact N-O 2.94Å; E86-A98 PolarHBondContact O-N 2.94Å; A98-L101 HydrophobicContact CB-CD2 4.39Å; A98-V106 HydrophobicContact CB-CG1 3.93Å
99	L	90.3	Very high	92.2	Very high	24 Å²	24	41.7 Å²	41.7	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-41.5	179.4	-77.5	-177.9	0	0	0	113.3	M97 G107 V109 L320 R322	M97-L99 HydrophobicContact CE-CD1 4.07Å; M97-L99 HydrophobicContact CE-CD2 3.53Å; M97-L99 HydrophobicContact CE-CG 3.83Å; M97-L99 PolarHBondContact O-N 3.18Å; M97-L99 HydrophobicContact SD-CD2 4.25Å; L99-G107 PolarHBondContact N-O 2.93Å; L99-V109 HydrophobicContact CD1-CB 4.32Å; L99-V109 HydrophobicContact CD1-CG1 3.59Å; L99-V109 HydrophobicContact CD1-CG2 3.74Å; L99-V109 HydrophobicContact CG-CG1 4.46Å; L99-V109 HydrophobicContact CG-CG2 4.09Å; L99-L320 HydrophobicContact CB-CD1 3.98Å; L99-L320 HydrophobicContact CD1-CD1 3.83Å; L99-R322 PolarHBondContact O-NH2 3.09Å
100	N	90.7	Very high	92.1	Very high	26 Å²	26	37 Å²	37	14%	0.139	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.1	178.1	-75.2	4.2	0	0	0	109.2	V106 G107 R322	N100-V106 CarbonylContact O-C 3.53Å; N100-V106 WeakPolarHBondContact O-CA 3.35Å; N100-G107 PolarHBondContact N-O 3.11Å; N100-G107 PolarHBondContact O-N 3.38Å; N100-R322 PolarHBondContact OD1-NE 2.75Å; N100-R322 VanDerWaalsContact OD1-NE 3.16Å; N100-R322 PolarHBondContact OD1-NH2 3.2Å
101	L	92.9	Very high	91.9	Very high	89 Å²	89	37.3 Å²	37.3	47%	0.466	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	103	169.9	-51.1	-174.4	0	0	0	107.1	I82 A84 A98 V106	I82-L101 HydrophobicContact CG2-CD2 3.72Å; A84-L101 HydrophobicContact CB-CD1 4.35Å; A98-L101 HydrophobicContact CB-CD2 4.39Å; L101-V106 HydrophobicContact CD2-CG1 3.79Å; L101-V106 HydrophobicContact CD2-CG2 4.32Å
102	E	91.3	Very high	91.8	Very high	72 Å²	72	35.4 Å²	35.4	34%	0.336	21%	0.211	S	C	.	.			trans	-95.7	161.3	176.1	-55.2	-174.3	166.9	0	0	109.6	D104 N105	E102-D104 PolarHBondContact O-N 2.98Å; E102-N105 CarbonylContact C-O 3.57Å; E102-N105 VanDerWaalsContact CA-O 3.32Å; E102-N105 WeakPolarHBondContact CA-O 3.37Å; E102-N105 VanDerWaalsContact CB-O 3.26Å; E102-N105 WeakPolarHBondContact CB-O 3.44Å; E102-N105 PolarHBondContact N-O 3.35Å; E102-N105 VanDerWaalsContact O-O 3.04Å; E102-N105 PolarHBondContact OE2-ND2 3.15Å; E102-N105 PolarHBondContact OE2-OD1 3.28Å
103	P	89.3	Confident	91.7	Very high	134 Å²	134	37.1 Å²	37.1	87%	0.87	22%	0.217	S	C	*	.	S	Bend	trans	-56.9	-34.2	-178.3	-28.1	36.3	0	0	0	114.5
104	D	88.5	Confident	91.5	Very high	101 Å²	101	37.1 Å²	37.1	54%	0.54	21%	0.206	S	C	.	.	S	Bend	trans	-110.2	-19.9	-174.1	-60.9	-45.5	0	0	0	113.8	Y77 E102	Y77-D104 WeakPolarHBondContact CD2-O 3.36Å; E102-D104 PolarHBondContact O-N 2.98Å
105	N	91.5	Very high	91.4	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.07	23%	0.234	C	C	.	.			trans	-150.3	168.2	-174.4	74.8	73.4	0	0	0	111.6	L67 V76 E102	L67-N105 HydrophobicContact CD1-CB 3.87Å; V76-N105 CarbonylContact O-C 3.58Å; V76-N105 VanDerWaalsContact O-CA 3.3Å; V76-N105 WeakPolarHBondContact O-CA 3.4Å; E102-N105 CarbonylContact C-O 3.57Å; E102-N105 VanDerWaalsContact CA-O 3.32Å; E102-N105 WeakPolarHBondContact CA-O 3.37Å; E102-N105 VanDerWaalsContact CB-O 3.26Å; E102-N105 WeakPolarHBondContact CB-O 3.44Å; E102-N105 PolarHBondContact N-O 3.35Å; E102-N105 VanDerWaalsContact O-O 3.04Å; E102-N105 PolarHBondContact OE2-ND2 3.15Å; E102-N105 PolarHBondContact OE2-OD1 3.28Å
106	V	93.7	Very high	91.4	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.7	178	-179	0	0	0	0	109	R75 V76 I82 A98 N100 L101 V108	R75-V106 WeakPolarHBondContact CA-O 3.42Å; V76-V106 PolarHBondContact N-O 3.47Å; V76-V106 PolarHBondContact O-N 3.19Å; I82-V106 HydrophobicContact CG2-CG1 4.28Å; I82-V106 HydrophobicContact CG2-CG2 3.89Å; A98-V106 HydrophobicContact CB-CG1 3.93Å; N100-V106 CarbonylContact O-C 3.53Å; N100-V106 WeakPolarHBondContact O-CA 3.35Å; L101-V106 HydrophobicContact CD2-CG1 3.79Å; L101-V106 HydrophobicContact CD2-CG2 4.32Å; V106-V108 HydrophobicContact CG1-CG2 3.95Å; V106-V108 PolarHBondContact O-N 2.97Å
107	G	93.7	Very high	91.3	Very high	4 Å²	4	44 Å²	44	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	109.4	172.1	0	0	0	0	0	110.8	L99 N100	L99-G107 PolarHBondContact N-O 2.93Å; N100-G107 PolarHBondContact N-O 3.11Å; N100-G107 PolarHBondContact O-N 3.38Å
108	V	94.4	Very high	91.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.4	-179	178.1	0	0	0	0	109.7	A74 V76 V88 F90 M97 V106	A74-V108 HydrophobicContact CB-CB 4.42Å; A74-V108 PolarHBondContact N-O 3.12Å; A74-V108 PolarHBondContact O-N 2.85Å; V76-V108 HydrophobicContact CG2-CB 4.44Å; V76-V108 HydrophobicContact CG2-CG2 3.93Å; V88-V108 HydrophobicContact CG2-CB 4.43Å; V88-V108 HydrophobicContact CG2-CG1 3.38Å; V88-V108 HydrophobicContact CG2-CG2 4.19Å; F90-V108 HydrophobicContact CE2-CG1 4.08Å; F90-V108 HydrophobicContact CZ-CB 4.4Å; F90-V108 HydrophobicContact CZ-CG1 3.76Å; M97-V108 WeakPolarHBondContact O-CA 3.39Å; V106-V108 HydrophobicContact CG1-CG2 3.95Å; V106-V108 PolarHBondContact O-N 2.97Å
109	V	93.3	Very high	91.2	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135	168.9	-69.2	0	0	0	0	110.5	I73 G96 M97 L99 P276 M316	I73-V109 HydrophobicContact CD1-CG1 4.28Å; I73-V109 HydrophobicContact CG1-CG1 4.36Å; G96-V109 CarbonylContact C-O 3.36Å; G96-V109 WeakPolarHBondContact CA-O 3.43Å; M97-V109 HydrophobicContact CB-CG2 4.02Å; M97-V109 HydrophobicContact CE-CG2 3.79Å; M97-V109 PolarHBondContact N-O 3.48Å; M97-V109 WeakPolarHBondContact O-CG2 3.47Å; M97-V109 PolarHBondContact O-N 3.28Å; L99-V109 HydrophobicContact CD1-CB 4.32Å; L99-V109 HydrophobicContact CD1-CG1 3.59Å; L99-V109 HydrophobicContact CD1-CG2 3.74Å; L99-V109 HydrophobicContact CG-CG1 4.46Å; L99-V109 HydrophobicContact CG-CG2 4.09Å; V109-P276 HydrophobicContact CB-CB 4.19Å; V109-P276 HydrophobicContact CB-CG 3.7Å; V109-P276 HydrophobicContact CG1-CG 4.43Å; V109-P276 HydrophobicContact CG2-CB 4.02Å; V109-P276 HydrophobicContact CG2-CG 4.11Å; V109-M316 HydrophobicContact CG1-SD 4.21Å
110	V	93.4	Very high	91.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.3	-174.4	-179.2	0	0	0	0	110.5	I69 G72 A74 F90 L94 G112 I117	I69-V110 HydrophobicContact CD1-CG2 3.98Å; G72-V110 WeakPolarHBondContact O-CB 3.33Å; G72-V110 PolarHBondContact O-N 3.07Å; A74-V110 HydrophobicContact CB-CG2 4.32Å; F90-V110 HydrophobicContact CE2-CG2 4.06Å; F90-V110 HydrophobicContact CZ-CG2 3.9Å; L94-V110 HydrophobicContact CD1-CG1 4.28Å; V110-G112 PolarHBondContact O-N 3.01Å; V110-I117 HydrophobicContact CB-CD1 4.24Å; V110-I117 HydrophobicContact CG1-CD1 3.51Å; V110-I117 HydrophobicContact CG2-CD1 3.62Å
111	F	90.2	Very high	91.3	Very high	10 Å²	10	59.6 Å²	59.6	4%	0.044	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	93.4	169.6	-58.1	-56.7	0	0	0	109.3	M87 K95 G96 M97 P276 L277 L280	M87-F111 HydrophobicContact CE-CD2 3.78Å; M87-F111 HydrophobicContact CE-CE2 3.6Å; M87-F111 HydrophobicContact SD-CD2 4.37Å; M87-F111 HydrophobicContact SD-CE2 3.58Å; M87-F111 VanDerWaalsContact SD-CE2 3.58Å; M87-F111 HydrophobicContact SD-CZ 4.41Å; K95-F111 HydrophobicContact CB-CD2 4.07Å; K95-F111 WeakPolarHBondContact O-CA 3.41Å; K95-F111 WeakPolarHBondContact O-CB 3.4Å; K95-F111 PolarHBondContact O-N 3.17Å; G96-F111 VanDerWaalsContact C-CE2 3.41Å; M97-F111 HydrophobicContact CB-CE2 3.66Å; M97-F111 HydrophobicContact CB-CZ 3.5Å; M97-F111 VanDerWaalsContact CB-CZ 3.5Å; M97-F111 HydrophobicContact CE-CZ 4.4Å; F111-P276 HydrophobicContact CD1-CB 3.62Å; F111-P276 HydrophobicContact CE1-CB 3.45Å; F111-P276 VanDerWaalsContact CE1-CB 3.45Å; F111-L277 HydrophobicContact CB-CD2 4.22Å; F111-L277 HydrophobicContact CD1-CD2 3.81Å; F111-L277 HydrophobicContact CD1-CG 4.08Å; F111-L277 HydrophobicContact CG-CD2 4.26Å; F111-L280 HydrophobicContact CE1-CD2 4.33Å; F111-L280 HydrophobicContact CZ-CD2 4.31Å
112	G	88.2	Confident	91.2	Very high	32 Å²	32	59.5 Å²	59.5	33%	0.33	31%	0.314	S	S	.	.	S	Bend	trans	133.3	-151.7	175.1	0	0	0	0	0	113.1	V110	V110-G112 PolarHBondContact O-N 3.01Å
113	N	88.6	Confident	91.4	Very high	84 Å²	84	56 Å²	56	45%	0.449	30%	0.298	S	S	.	.			trans	-89.6	113.3	-176.4	-171.9	-6	0	0	0	110.5	L94 K115 L116	L94-N113 WeakPolarHBondContact CD1-O 3.48Å; N113-K115 PolarHBondContact O-N 3.11Å; N113-K115 WeakPolarHBondContact OD1-CB 3.44Å; N113-K115 WeakPolarHBondContact OD1-CG 3.28Å; N113-K115 PolarHBondContact OD1-N 3.34Å; N113-L116 PolarHBondContact O-N 2.95Å
114	D	87.4	Confident	91.6	Very high	44 Å²	44	55.5 Å²	55.5	24%	0.235	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-64.9	-19.9	-177.1	56.9	-3.2	0	0	0	114.4	I69 G72 L116 I117	I69-D114 HydrophobicContact CD1-CB 4.09Å; I69-D114 HydrophobicContact CG1-CB 4.23Å; G72-D114 PolarHBondContact N-OD2 3.28Å; D114-L116 PolarHBondContact O-N 3.24Å; D114-I117 PolarHBondContact O-N 3.22Å
115	K	89.9	Confident	91.9	Very high	171 Å²	171	52.8 Å²	52.8	74%	0.743	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-58.2	-17.9	176.3	-64.6	-177.8	-178	-176.9	0	114.8	N113	N113-K115 PolarHBondContact O-N 3.11Å; N113-K115 WeakPolarHBondContact OD1-CB 3.44Å; N113-K115 WeakPolarHBondContact OD1-CG 3.28Å; N113-K115 PolarHBondContact OD1-N 3.34Å
116	L	91.6	Very high	91.7	Very high	100 Å²	100	55.1 Å²	55.1	52%	0.524	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-89	-6.3	178.9	-60.6	178.4	0	0	0	113.2	S92 L94 N113 D114	S92-L116 WeakPolarHBondContact CB-O 3.41Å; L94-L116 HydrophobicContact CD1-CB 3.96Å; L94-L116 HydrophobicContact CD1-CD1 4.25Å; L94-L116 HydrophobicContact CG-CD1 4.49Å; N113-L116 PolarHBondContact O-N 2.95Å; D114-L116 PolarHBondContact O-N 3.24Å
117	I	92.6	Very high	91.4	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.036	31%	0.311	C	S	.	.			trans	-106.3	137.1	178.5	-61.4	167.2	0	0	0	108.3	V66 I69 F90 L94 V110 D114 D121	V66-I117 HydrophobicContact CG1-CG2 4.3Å; V66-I117 HydrophobicContact CG2-CG2 4.04Å; I69-I117 HydrophobicContact CB-CG2 4.29Å; I69-I117 HydrophobicContact CG1-CB 4.21Å; I69-I117 HydrophobicContact CG1-CG2 4.18Å; I69-I117 HydrophobicContact CG2-CG2 4.49Å; F90-I117 HydrophobicContact CB-CD1 4.4Å; F90-I117 HydrophobicContact CB-CG1 4.33Å; F90-I117 HydrophobicContact CD1-CD1 3.72Å; F90-I117 HydrophobicContact CD1-CG1 4.05Å; F90-I117 HydrophobicContact CD1-CG2 3.97Å; F90-I117 HydrophobicContact CD2-CD1 3.83Å; F90-I117 HydrophobicContact CE1-CD1 3.86Å; F90-I117 HydrophobicContact CE1-CG2 4.17Å; F90-I117 HydrophobicContact CE2-CD1 3.96Å; F90-I117 HydrophobicContact CG-CD1 3.72Å; F90-I117 HydrophobicContact CG-CG1 4.1Å; F90-I117 HydrophobicContact CZ-CD1 3.98Å; L94-I117 HydrophobicContact CD1-CD1 4.15Å; L94-I117 HydrophobicContact CD1-CG1 4.18Å; V110-I117 HydrophobicContact CB-CD1 4.24Å; V110-I117 HydrophobicContact CG1-CD1 3.51Å; V110-I117 HydrophobicContact CG2-CD1 3.62Å; D114-I117 PolarHBondContact O-N 3.22Å; I117-D121 WeakPolarHBondContact CA-OD2 3.31Å
118	R	92.5	Very high	91.1	Very high	186 Å²	186	59.2 Å²	59.2	70%	0.702	33%	0.325	S	S	*	.			trans	-125.3	159.6	178.3	-61.1	-178.4	-174.9	178.1	2.3	110.6	D121	R118-D121 PolarHBondContact N-OD2 2.63Å; R118-D121 VanDerWaalsContact O-CB 3.29Å; R118-D121 WeakPolarHBondContact O-CB 3.31Å; R118-D121 PolarHBondContact O-N 3.39Å
119	E	91.6	Very high	91	Very high	120 Å²	120	60.7 Å²	60.7	56%	0.561	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	139.9	167	-178.2	178.5	174.1	0	0	110.4	L67 D121	L67-E119 WeakPolarHBondContact O-CG 3.33Å; E119-D121 VanDerWaalsContact C-N 3.28Å; E119-D121 PolarHBondContact O-N 3.19Å
120	G	89.1	Confident	90.9	Very high	41 Å²	41	60.8 Å²	60.8	42%	0.423	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-9.5	-176.2	0	0	0	0	0	115	V66	V66-G120 PolarHBondContact O-N 2.63Å
121	D	92.6	Very high	90.9	Very high	35 Å²	35	62.9 Å²	62.9	19%	0.187	34%	0.344	C	S	.	.			trans	-58.9	140.7	177.6	-85.3	-21.9	0	0	0	111.5	R65 V66 S91 I117 R118 E119	R65-D121 CarbonylContact C-O 3.52Å; R65-D121 WeakPolarHBondContact CA-O 3.43Å; V66-D121 HydrophobicContact CB-CB 4.46Å; V66-D121 HydrophobicContact CG2-CB 4.03Å; V66-D121 PolarHBondContact N-O 3.26Å; S91-D121 WeakPolarHBondContact OG-CB 3.49Å; S91-D121 PolarHBondContact OG-OD1 2.72Å; I117-D121 WeakPolarHBondContact CA-OD2 3.31Å; R118-D121 PolarHBondContact N-OD2 2.63Å; R118-D121 VanDerWaalsContact O-CB 3.29Å; R118-D121 WeakPolarHBondContact O-CB 3.31Å; R118-D121 PolarHBondContact O-N 3.39Å; E119-D121 VanDerWaalsContact C-N 3.28Å; E119-D121 PolarHBondContact O-N 3.19Å
122	I	92.8	Very high	91.1	Very high	86 Å²	86	62.4 Å²	62.4	44%	0.441	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132	178	-59.4	174.7	0	0	0	108.9	G64 S91 K124	G64-I122 WeakPolarHBondContact O-CA 3.26Å; S91-I122 PolarHBondContact N-O 3.39Å; I122-K124 HydrophobicContact CG2-CG 4.33Å
123	V	94.4	Very high	91.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.9	172.9	-172.8	0	0	0	0	108.3	T63 G64 V66 V76 L79 V88 E89 F90	T63-V123 CarbonylContact C-O 3.57Å; T63-V123 WeakPolarHBondContact CA-O 3.44Å; G64-V123 PolarHBondContact N-O 3.26Å; G64-V123 PolarHBondContact O-N 2.8Å; V66-V123 HydrophobicContact CG2-CG2 3.55Å; V76-V123 HydrophobicContact CG1-CB 3.89Å; V76-V123 HydrophobicContact CG1-CG1 4.46Å; V76-V123 HydrophobicContact CG1-CG2 3.83Å; V76-V123 HydrophobicContact CG2-CB 4.49Å; V76-V123 HydrophobicContact CG2-CG2 3.87Å; L79-V123 HydrophobicContact CD1-CB 4.46Å; L79-V123 HydrophobicContact CD1-CG1 4.09Å; V88-V123 HydrophobicContact CB-CG1 3.72Å; V88-V123 HydrophobicContact CG1-CG1 4.31Å; V88-V123 HydrophobicContact CG2-CG1 3.89Å; E89-V123 WeakPolarHBondContact O-CA 3.44Å; F90-V123 HydrophobicContact CD1-CG2 3.6Å; F90-V123 HydrophobicContact CE1-CG2 3.7Å
124	K	94.1	Very high	91.8	Very high	123 Å²	123	57.5 Å²	57.5	54%	0.535	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.3	177.2	-63.1	-176.2	180	176.8	0	110.1	T63 V88 E89 I122	T63-K124 HydrophobicContact CG2-CG 4.2Å; V88-K124 CarbonylContact C-O 3.48Å; V88-K124 WeakPolarHBondContact CA-O 3.29Å; V88-K124 WeakPolarHBondContact CB-O 3.35Å; E89-K124 PolarHBondContact N-O 2.91Å; E89-K124 PolarHBondContact O-N 3.29Å; I122-K124 HydrophobicContact CG2-CG 4.33Å
125	R	93.2	Very high	92.2	Very high	44 Å²	44	55.4 Å²	55.4	17%	0.166	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	139.9	169.8	-67.1	-177.4	54.9	-151.7	13.1	110.6	E62 L79 N81 I82 E86	E62-R125 PolarHBondContact O-N 3.36Å; E62-R125 IonicContact OE1-NH1 3.5Å; E62-R125 PolarHBondContact OE1-NH1 3.4Å; E62-R125 WeakPolarHBondContact OE2-CD 3.42Å; E62-R125 IonicContact OE2-CZ 3.09Å; E62-R125 IonicContact OE2-NE 3.3Å; E62-R125 IonicContact OE2-NH1 3.13Å; E62-R125 PolarHBondContact OE2-NH1 3.41Å; L79-R125 HydrophobicContact CD2-CG 3.63Å; N81-R125 VanDerWaalsContact C-CZ 3.48Å; N81-R125 PolarHBondContact O-NH1 2.93Å; N81-R125 PolarHBondContact O-NH2 3.28Å; I82-R125 HydrophobicContact CB-CG 4.5Å; I82-R125 HydrophobicContact CD1-CG 4.41Å; I82-R125 HydrophobicContact CG1-CG 4.44Å; E86-R125 WeakPolarHBondContact OE1-CB 3.36Å; E86-R125 IonicContact OE1-CZ 2.76Å; E86-R125 IonicContact OE1-NE 3.33Å; E86-R125 PolarHBondContact OE1-NE 2.93Å; E86-R125 IonicContact OE1-NH2 3.86Å; E86-R125 PolarHBondContact OE1-NH2 3.38Å; E86-R125 IonicContact OE2-CZ 2.79Å; E86-R125 IonicContact OE2-NE 3.49Å; E86-R125 PolarHBondContact OE2-NE 3.13Å; E86-R125 IonicContact OE2-NH2 3.53Å; E86-R125 PolarHBondContact OE2-NH2 3.39Å
126	A	88.8	Confident	92.5	Very high	61 Å²	61	50 Å²	50	50%	0.504	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-16.1	168.9	0	0	0	0	0	112.1	M87 A128	M87-A126 HydrophobicContact CB-CB 3.75Å; M87-A126 VanDerWaalsContact O-CB 3.24Å; M87-A126 WeakPolarHBondContact O-CB 3.43Å; M87-A126 PolarHBondContact O-N 3.01Å; A126-A128 PolarHBondContact O-N 3.44Å
127	G	87.6	Confident	92.7	Very high	59 Å²	59	48.5 Å²	48.5	61%	0.608	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	75.8	7.7	-179.1	0	0	0	0	0	114.3	E86	E86-G127 VanDerWaalsContact OE1-CA 3.3Å; E86-G127 WeakPolarHBondContact OE1-CA 3.38Å; E86-G127 PolarHBondContact OE1-N 3.26Å
128	A	87.7	Confident	92.8	Very high	39 Å²	39	48.2 Å²	48.2	32%	0.322	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.8	-179.1	0	0	0	0	0	111.6	E86 M87 A126	E86-A128 WeakPolarHBondContact CG-O 3.4Å; M87-A128 PolarHBondContact N-O 2.88Å; A126-A128 PolarHBondContact O-N 3.44Å
129	I	91.4	Very high	93	Very high	32 Å²	32	41.1 Å²	41.1	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	145.1	163.5	-63.9	169.6	0	0	0	108.3	E85 D131	E85-I129 HydrophobicContact CB-CG2 4.37Å; I129-D131 PolarHBondContact O-N 3.19Å
130	V	90.5	Very high	93.2	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	23%	0.23	C	C	.	.	S	Bend	trans	-45.2	117	-177.9	-167.9	0	0	0	0	111.8	E85 M87 M97 R163 V164 L280	E85-V130 WeakPolarHBondContact O-CG2 3.32Å; E85-V130 PolarHBondContact O-N 3.43Å; M87-V130 HydrophobicContact CG-CB 4.16Å; M87-V130 HydrophobicContact CG-CG1 4.41Å; M87-V130 HydrophobicContact CG-CG2 3.84Å; M87-V130 HydrophobicContact SD-CB 3.97Å; M87-V130 HydrophobicContact SD-CG1 3.8Å; M87-V130 HydrophobicContact SD-CG2 3.42Å; M87-V130 WeakPolarHBondContact SD-CG2 3.42Å; M97-V130 HydrophobicContact CB-CG2 4.33Å; M97-V130 HydrophobicContact CG-CG2 3.85Å; M97-V130 HydrophobicContact SD-CG2 3.63Å; V130-R163 WeakPolarHBondContact O-CA 3.12Å; V130-V164 HydrophobicContact CB-CG2 3.79Å; V130-V164 HydrophobicContact CG1-CG1 4.21Å; V130-V164 HydrophobicContact CG1-CG2 3.97Å; V130-V164 WeakPolarHBondContact O-CG2 3.28Å; V130-V164 PolarHBondContact O-N 3.5Å; V130-L280 HydrophobicContact CG1-CD1 4.12Å; V130-L280 HydrophobicContact CG1-CD2 3.89Å
131	D	93.1	Very high	93.6	Very high	44 Å²	44	36.3 Å²	36.3	24%	0.235	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.6	178.3	72.9	-17	0	0	0	110.8	I129 R161 Q162 R163	I129-D131 PolarHBondContact O-N 3.19Å; D131-R161 VanDerWaalsContact CG-NE 3.27Å; D131-R161 PolarHBondContact O-NH2 3.04Å; D131-R161 IonicContact OD1-CZ 3.77Å; D131-R161 IonicContact OD1-NE 3.71Å; D131-R161 PolarHBondContact OD1-NE 3.38Å; D131-R161 IonicContact OD1-NH2 2.92Å; D131-R161 PolarHBondContact OD1-NH2 3.14Å; D131-R161 WeakPolarHBondContact OD2-CB 3.29Å; D131-R161 WeakPolarHBondContact OD2-CD 3.27Å; D131-R161 IonicContact OD2-CZ 2.78Å; D131-R161 IonicContact OD2-NE 3.68Å; D131-R161 PolarHBondContact OD2-NE 2.87Å; D131-R161 IonicContact OD2-NH2 2.9Å; D131-Q162 CarbonylContact C-O 3.5Å; D131-Q162 VanDerWaalsContact CA-O 3.28Å; D131-Q162 WeakPolarHBondContact CA-O 3.48Å; D131-Q162 WeakPolarHBondContact CB-O 3.34Å; D131-R163 HydrophobicContact CB-CG 4.49Å
132	V	95	Very high	93.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.5	-179.9	-67.5	0	0	0	0	110.1	V134 R161 Q162 V164 A284 A287 M288	V132-V134 HydrophobicContact CG2-CG1 4.28Å; V132-R161 CarbonylContact O-C 3.38Å; V132-R161 VanDerWaalsContact O-CA 3.28Å; V132-R161 WeakPolarHBondContact O-CA 3.39Å; V132-Q162 PolarHBondContact N-O 3.03Å; V132-Q162 PolarHBondContact O-N 3.37Å; V132-V164 HydrophobicContact CB-CG1 4.42Å; V132-V164 HydrophobicContact CG1-CG1 3.67Å; V132-V164 HydrophobicContact CG2-CG1 4.02Å; V132-A284 HydrophobicContact CG1-CB 3.98Å; V132-A287 HydrophobicContact CG2-CB 3.86Å; V132-M288 HydrophobicContact CB-CE 4.49Å
133	P	96.1	Very high	94.1	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.065	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	137.8	169.3	27	-32.9	0	0	0	109.9	L138 L146 G147 T158	P133-L138 WeakPolarHBondContact O-CD1 3.49Å; P133-L146 WeakPolarHBondContact CD-O 3.09Å; P133-G147 WeakPolarHBondContact CG-O 3.49Å; P133-T158 HydrophobicContact CB-CG2 4.16Å; P133-T158 WeakPolarHBondContact CB-OG1 3.49Å
134	V	96.6	Very high	94.1	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145	175.6	-61.8	0	0	0	0	109.6	V132 T160 Q162 M288 Y291	V132-V134 HydrophobicContact CG2-CG1 4.28Å; V134-T160 PolarHBondContact N-O 3.45Å; V134-T160 VanDerWaalsContact O-O 3.13Å; V134-T160 PolarHBondContact O-OG1 3.31Å; V134-Q162 HydrophobicContact CG1-CB 3.82Å; V134-Q162 HydrophobicContact CG2-CB 3.9Å; V134-M288 HydrophobicContact CG1-CG 4.34Å; V134-Y291 HydrophobicContact CB-CD2 4.28Å; V134-Y291 HydrophobicContact CB-CG 4.28Å; V134-Y291 HydrophobicContact CG2-CD2 3.89Å; V134-Y291 HydrophobicContact CG2-CG 4.36Å
135	G	95	Very high	94.1	Very high	1 Å²	1	27 Å²	27	1%	0.01	17%	0.173	C	C	.	.	S	Bend	trans	159.5	171.7	-179	0	0	0	0	0	113	E137 L138	G135-E137 WeakPolarHBondContact CA-OE2 3.35Å; G135-E137 PolarHBondContact O-N 3.36Å; G135-L138 PolarHBondContact O-N 2.81Å
136	V	95.4	Very high	94.1	Very high	56 Å²	56	26.2 Å²	26.2	34%	0.339	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-70.2	-19.4	174.8	-64.2	0	0	0	0	112.2	L138 L139 Y291 F292	V136-L138 PolarHBondContact O-N 3.4Å; V136-L139 HydrophobicContact CB-CD1 4.31Å; V136-L139 VanDerWaalsContact O-CB 3.32Å; V136-L139 WeakPolarHBondContact O-CB 3.39Å; V136-L139 VanDerWaalsContact O-CG 3.26Å; V136-L139 WeakPolarHBondContact O-CG 3.31Å; V136-L139 PolarHBondContact O-N 3.06Å; V136-L139 VanDerWaalsContact O-N 3.09Å; V136-Y291 HydrophobicContact CG1-CE1 4.15Å; V136-F292 HydrophobicContact CG1-CE1 4.2Å
137	E	95.6	Very high	94.4	Very high	70 Å²	70	23.5 Å²	23.5	33%	0.327	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-66.6	-14.7	178.6	-57.7	84.7	172.6	0	0	113	G135 I156 T158	G135-E137 WeakPolarHBondContact CA-OE2 3.35Å; G135-E137 PolarHBondContact O-N 3.36Å; E137-I156 HydrophobicContact CB-CG2 4.18Å; E137-T158 HydrophobicContact CB-CG2 4.15Å
138	L	96.7	Very high	94.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-79.1	-17	173.7	-67.9	167.7	0	0	0	113.1	P133 G135 V136 G140 R141 V143 I156 T158 I265 M288	P133-L138 WeakPolarHBondContact O-CD1 3.49Å; G135-L138 PolarHBondContact O-N 2.81Å; V136-L138 PolarHBondContact O-N 3.4Å; L138-G140 PolarHBondContact O-N 3.47Å; L138-R141 VanDerWaalsContact O-CB 3.26Å; L138-R141 WeakPolarHBondContact O-CB 3.29Å; L138-R141 WeakPolarHBondContact O-CG 3.41Å; L138-R141 PolarHBondContact O-N 3.24Å; L138-V143 HydrophobicContact CD2-CG1 3.92Å; L138-I156 HydrophobicContact CD2-CD1 3.77Å; L138-I156 HydrophobicContact CD2-CG2 3.97Å; L138-I156 HydrophobicContact CG-CG2 4.49Å; L138-T158 HydrophobicContact CG-CG2 4.17Å; L138-I265 HydrophobicContact CB-CD1 3.6Å; L138-I265 HydrophobicContact CB-CG1 4.03Å; L138-I265 HydrophobicContact CB-CG2 4.21Å; L138-I265 HydrophobicContact CD1-CD1 4.29Å; L138-M288 HydrophobicContact CD1-CB 4.42Å; L138-M288 HydrophobicContact CD1-CE 4.44Å; L138-M288 HydrophobicContact CD1-CG 3.83Å; L138-M288 HydrophobicContact CD1-SD 4.11Å
139	L	96.3	Very high	95.1	Very high	38 Å²	38	24.9 Å²	24.9	20%	0.199	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	130.4	-178	-64.4	174.8	0	0	0	110.3	V136 R141 Y235 I265 F292	V136-L139 HydrophobicContact CB-CD1 4.31Å; V136-L139 VanDerWaalsContact O-CB 3.32Å; V136-L139 WeakPolarHBondContact O-CB 3.39Å; V136-L139 VanDerWaalsContact O-CG 3.26Å; V136-L139 WeakPolarHBondContact O-CG 3.31Å; V136-L139 PolarHBondContact O-N 3.06Å; V136-L139 VanDerWaalsContact O-N 3.09Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-Y235 HydrophobicContact CD1-CD1 3.69Å; L139-Y235 HydrophobicContact CD1-CE1 3.7Å; L139-Y235 HydrophobicContact CD2-CD1 3.84Å; L139-Y235 HydrophobicContact CG-CD1 4.45Å; L139-I265 HydrophobicContact CD2-CD1 4.27Å; L139-I265 HydrophobicContact CD2-CG1 3.94Å; L139-F292 HydrophobicContact CD1-CE1 4.43Å; L139-F292 HydrophobicContact CD2-CE1 4.29Å; L139-F292 HydrophobicContact CD2-CZ 3.75Å; L139-F292 HydrophobicContact CG-CZ 4.19Å
140	G	95.7	Very high	95.3	Very high	26 Å²	26	27.7 Å²	27.7	27%	0.268	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	2.5	-175.2	0	0	0	0	0	115.1	L138 I261 T264	L138-G140 PolarHBondContact O-N 3.47Å; G140-I261 WeakPolarHBondContact CA-O 3.4Å; G140-I261 PolarHBondContact N-O 3.33Å; G140-T264 WeakPolarHBondContact CA-O 3.47Å; G140-T264 PolarHBondContact N-O 3.17Å
141	R	97.4	Very high	95.4	Very high	34 Å²	34	30.2 Å²	30.2	13%	0.128	17%	0.168	C	C	.	.			trans	-102.1	151.6	-178.1	-51.6	-56.5	-56.5	-86.5	-6	112	L138 L139 V143 D151 G154 I156 I266	L138-R141 VanDerWaalsContact O-CB 3.26Å; L138-R141 WeakPolarHBondContact O-CB 3.29Å; L138-R141 WeakPolarHBondContact O-CG 3.41Å; L138-R141 PolarHBondContact O-N 3.24Å; L139-R141 VanDerWaalsContact C-N 3.28Å; R141-V143 HydrophobicContact CB-CG1 4.45Å; R141-D151 WeakPolarHBondContact CA-OD2 3.29Å; R141-D151 IonicContact CZ-OD1 3.48Å; R141-D151 IonicContact CZ-OD2 2.75Å; R141-D151 IonicContact NE-OD1 3.25Å; R141-D151 IonicContact NE-OD2 3.28Å; R141-D151 PolarHBondContact NE-OD2 3.45Å; R141-D151 IonicContact NH2-OD1 2.81Å; R141-D151 PolarHBondContact NH2-OD1 3.37Å; R141-D151 IonicContact NH2-OD2 3.44Å; R141-D151 PolarHBondContact NH2-OD2 3.4Å; R141-G154 PolarHBondContact NH2-O 3.34Å; R141-I156 HydrophobicContact CB-CD1 3.94Å; R141-I156 HydrophobicContact CG-CD1 4.08Å; R141-I156 HydrophobicContact CG-CG1 4.25Å; R141-I156 VanDerWaalsContact NH1-CG1 3.3Å; R141-I266 PolarHBondContact O-N 2.71Å; R141-I266 VanDerWaalsContact O-N 3.08Å
142	V	97.4	Very high	95.4	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.085	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.9	167.3	-167.8	0	0	0	0	108.3	P149 I150 D151 V252 I266	V142-P149 WeakPolarHBondContact O-CA 3.14Å; V142-I150 HydrophobicContact CB-CG1 4.13Å; V142-I150 HydrophobicContact CG1-CD1 3.86Å; V142-I150 HydrophobicContact CG1-CG1 3.68Å; V142-I150 PolarHBondContact O-N 3.05Å; V142-D151 HydrophobicContact CB-CB 3.95Å; V142-D151 HydrophobicContact CG2-CB 4.07Å; V142-D151 PolarHBondContact N-OD2 2.92Å; V142-V252 HydrophobicContact CG2-CG1 4.47Å; V142-V252 HydrophobicContact CG2-CG2 3.84Å; V142-I266 CarbonylContact C-O 3.5Å; V142-I266 WeakPolarHBondContact CA-O 3.35Å; V142-I266 HydrophobicContact CB-CB 4.47Å; V142-I266 HydrophobicContact CG1-CB 4.1Å; V142-I266 HydrophobicContact CG1-CG2 3.95Å; V142-I266 HydrophobicContact CG2-CB 4.22Å; V142-I266 HydrophobicContact CG2-CD1 4.37Å
143	V	97.4	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.9	-176.9	-62.1	0	0	0	0	111.9	L138 R141 N148 I156 I265 I266 V267 S268 M288	L138-V143 HydrophobicContact CD2-CG1 3.92Å; R141-V143 HydrophobicContact CB-CG1 4.45Å; V143-N148 CarbonylContact C-O 3.57Å; V143-N148 WeakPolarHBondContact CA-O 3.15Å; V143-I156 HydrophobicContact CG1-CD1 3.42Å; V143-I156 VanDerWaalsContact CG1-CD1 3.42Å; V143-I265 HydrophobicContact CG2-CG2 4.28Å; V143-I266 PolarHBondContact N-O 3.08Å; V143-V267 HydrophobicContact CG2-CB 4.48Å; V143-V267 HydrophobicContact CG2-CG2 3.95Å; V143-V267 CarbonylContact O-C 3.58Å; V143-V267 WeakPolarHBondContact O-CA 3.49Å; V143-S268 PolarHBondContact O-N 3.4Å; V143-M288 HydrophobicContact CG2-CE 3.79Å; V143-M288 HydrophobicContact CG2-SD 4.14Å
144	D	95.5	Very high	95.1	Very high	34 Å²	34	36.9 Å²	36.9	18%	0.182	24%	0.242	C	C	.	.			trans	-77.5	-178.5	169.3	71.8	13.6	0	0	0	112	L146 G147 N148 I150	D144-L146 PolarHBondContact O-N 3.29Å; D144-L146 WeakPolarHBondContact OD1-CA 3.47Å; D144-L146 WeakPolarHBondContact OD1-CB 3.37Å; D144-L146 PolarHBondContact OD1-N 3.19Å; D144-G147 PolarHBondContact O-N 3.15Å; D144-G147 VanDerWaalsContact O-N 3.1Å; D144-G147 PolarHBondContact OD1-N 3.42Å; D144-N148 PolarHBondContact N-O 3.1Å; D144-N148 PolarHBondContact OD1-N 2.67Å; D144-N148 PolarHBondContact OD1-ND2 3.37Å; D144-N148 WeakPolarHBondContact OD2-CB 3.31Å; D144-N148 PolarHBondContact OD2-ND2 3.1Å; D144-I150 HydrophobicContact CB-CG2 4.03Å
145	A	94.7	Very high	94.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.8	179	0	0	0	0	0	114.7	L277 L280 A281 A284	A145-L277 HydrophobicContact CB-CB 4.23Å; A145-L277 HydrophobicContact CB-CD2 4.01Å; A145-L277 WeakPolarHBondContact CB-O 3.4Å; A145-L280 HydrophobicContact CB-CB 4.37Å; A145-A281 HydrophobicContact CB-CB 3.94Å; A145-A284 VanDerWaalsContact O-CB 3.22Å; A145-A284 WeakPolarHBondContact O-CB 3.41Å
146	L	93.1	Very high	94.7	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.141	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-3.1	175.2	-61.6	176.5	0	0	0	112	P133 D144 L277 L280	P133-L146 WeakPolarHBondContact CD-O 3.09Å; D144-L146 PolarHBondContact O-N 3.29Å; D144-L146 WeakPolarHBondContact OD1-CA 3.47Å; D144-L146 WeakPolarHBondContact OD1-CB 3.37Å; D144-L146 PolarHBondContact OD1-N 3.19Å; L146-L277 HydrophobicContact CD1-CD2 4.32Å; L146-L277 HydrophobicContact CG-CD2 4.04Å; L146-L280 HydrophobicContact CD2-CD2 3.77Å
147	G	93.7	Very high	94.5	Very high	4 Å²	4	45.2 Å²	45.2	4%	0.041	30%	0.295	C	S	.	.	S	Bend	trans	83.9	14.4	-178.7	0	0	0	0	0	114.7	P133 D144	P133-G147 WeakPolarHBondContact CG-O 3.49Å; D144-G147 PolarHBondContact O-N 3.15Å; D144-G147 VanDerWaalsContact O-N 3.1Å; D144-G147 PolarHBondContact OD1-N 3.42Å
148	N	94	Very high	94.3	Very high	80 Å²	80	43.4 Å²	43.4	43%	0.428	29%	0.288	S	S	.	.			trans	-79.3	140.6	173.2	-49.8	-58.5	0	0	0	110.1	V143 D144	V143-N148 CarbonylContact C-O 3.57Å; V143-N148 WeakPolarHBondContact CA-O 3.15Å; D144-N148 PolarHBondContact N-O 3.1Å; D144-N148 PolarHBondContact OD1-N 2.67Å; D144-N148 PolarHBondContact OD1-ND2 3.37Å; D144-N148 WeakPolarHBondContact OD2-CB 3.31Å; D144-N148 PolarHBondContact OD2-ND2 3.1Å
149	P	96.2	Very high	93.9	Very high	47 Å²	47	52.5 Å²	52.5	31%	0.305	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-68.8	134.3	177.5	27.1	-32.6	0	0	0	111.7	V142 G154 I156	V142-P149 WeakPolarHBondContact O-CA 3.14Å; P149-G154 WeakPolarHBondContact CG-O 3.39Å; P149-I156 HydrophobicContact CB-CD1 3.86Å; P149-I156 HydrophobicContact CB-CG1 4.1Å; P149-I156 HydrophobicContact CG-CD1 4.37Å; P149-I156 HydrophobicContact CG-CG1 4.29Å
150	I	95	Very high	93.8	Very high	91 Å²	91	53.6 Å²	53.6	47%	0.467	34%	0.337	S	S	.	.			trans	-121.6	5.3	176.6	63.7	170.1	0	0	0	113	V142 D144	V142-I150 HydrophobicContact CB-CG1 4.13Å; V142-I150 HydrophobicContact CG1-CD1 3.86Å; V142-I150 HydrophobicContact CG1-CG1 3.68Å; V142-I150 PolarHBondContact O-N 3.05Å; D144-I150 HydrophobicContact CB-CG2 4.03Å
151	D	93.7	Very high	93.7	Very high	54 Å²	54	58.9 Å²	58.9	29%	0.289	35%	0.348	S	S	.	.	S	Bend	trans	-84.8	-11.1	178.6	51.6	22.7	0	0	0	114.3	R141 V142 A153	R141-D151 WeakPolarHBondContact CA-OD2 3.29Å; R141-D151 IonicContact CZ-OD1 3.48Å; R141-D151 IonicContact CZ-OD2 2.75Å; R141-D151 IonicContact NE-OD1 3.25Å; R141-D151 IonicContact NE-OD2 3.28Å; R141-D151 PolarHBondContact NE-OD2 3.45Å; R141-D151 IonicContact NH2-OD1 2.81Å; R141-D151 PolarHBondContact NH2-OD1 3.37Å; R141-D151 IonicContact NH2-OD2 3.44Å; R141-D151 PolarHBondContact NH2-OD2 3.4Å; V142-D151 HydrophobicContact CB-CB 3.95Å; V142-D151 HydrophobicContact CG2-CB 4.07Å; V142-D151 PolarHBondContact N-OD2 2.92Å; D151-A153 VanDerWaalsContact C-N 3.26Å; D151-A153 PolarHBondContact O-N 2.94Å; D151-A153 PolarHBondContact OD1-N 3.25Å
152	G	92	Very high	93.5	Very high	77 Å²	77	59 Å²	59	79%	0.794	35%	0.35	S	S	*	.	S	Bend	trans	75.9	7.1	-176.2	0	0	0	0	0	114.7	G154	G152-G154 PolarHBondContact O-N 3.24Å
153	A	92	Very high	93.5	Very high	73 Å²	73	65.1 Å²	65.1	60%	0.603	37%	0.372	S	S	*	.	S	Bend	trans	-84.3	16.6	-179.4	0	0	0	0	0	114	D151	D151-A153 VanDerWaalsContact C-N 3.26Å; D151-A153 PolarHBondContact O-N 2.94Å; D151-A153 PolarHBondContact OD1-N 3.25Å
154	G	92.7	Very high	93.3	Very high	44 Å²	44	65.5 Å²	65.5	45%	0.454	38%	0.375	S	S	.	.			trans	90.9	-179.2	-179.4	0	0	0	0	0	114.4	R141 P149 G152	R141-G154 PolarHBondContact NH2-O 3.34Å; P149-G154 WeakPolarHBondContact CG-O 3.39Å; G152-G154 PolarHBondContact O-N 3.24Å
155	A	92.4	Very high	93	Very high	75 Å²	75	66 Å²	66	62%	0.62	39%	0.387	S	S	*	.			trans	-66.1	155.6	-179.5	0	0	0	0	0	112.3
156	I	92.4	Very high	92.9	Very high	25 Å²	25	68.8 Å²	68.8	13%	0.128	40%	0.404	C	S	.	.			trans	-104.1	117.4	175.1	-62.4	167.3	0	0	0	108.7	E137 L138 R141 V143 P149 T158	E137-I156 HydrophobicContact CB-CG2 4.18Å; L138-I156 HydrophobicContact CD2-CD1 3.77Å; L138-I156 HydrophobicContact CD2-CG2 3.97Å; L138-I156 HydrophobicContact CG-CG2 4.49Å; R141-I156 HydrophobicContact CB-CD1 3.94Å; R141-I156 HydrophobicContact CG-CD1 4.08Å; R141-I156 HydrophobicContact CG-CG1 4.25Å; R141-I156 VanDerWaalsContact NH1-CG1 3.3Å; V143-I156 HydrophobicContact CG1-CD1 3.42Å; V143-I156 VanDerWaalsContact CG1-CD1 3.42Å; P149-I156 HydrophobicContact CB-CD1 3.86Å; P149-I156 HydrophobicContact CB-CG1 4.1Å; P149-I156 HydrophobicContact CG-CD1 4.37Å; P149-I156 HydrophobicContact CG-CG1 4.29Å; I156-T158 HydrophobicContact CG2-CG2 3.77Å; I156-T158 PolarHBondContact O-N 3.34Å
157	N	90.3	Very high	92.9	Very high	135 Å²	135	76.5 Å²	76.5	72%	0.722	44%	0.437	S	S	*	.			trans	-94.5	59.3	-175.3	-65.2	-27	0	0	0	112
158	T	90.7	Very high	93	Very high	32 Å²	32	77.5 Å²	77.5	20%	0.196	45%	0.445	C	S	.	.			trans	-72.3	142.3	173.8	49	0	0	0	0	111.4	P133 E137 L138 I156	P133-T158 HydrophobicContact CB-CG2 4.16Å; P133-T158 WeakPolarHBondContact CB-OG1 3.49Å; E137-T158 HydrophobicContact CB-CG2 4.15Å; L138-T158 HydrophobicContact CG-CG2 4.17Å; I156-T158 HydrophobicContact CG2-CG2 3.77Å; I156-T158 PolarHBondContact O-N 3.34Å
159	K	89.5	Confident	93.1	Very high	191 Å²	191	74.5 Å²	74.5	83%	0.83	43%	0.429	S	S	*	.	S	Bend	trans	-87	-17	177.6	-60.1	178.7	-175.1	176.3	0	113.8
160	T	93.8	Very high	93	Very high	62 Å²	62	74.2 Å²	74.2	38%	0.38	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.8	-170.4	44	0	0	0	0	111.7	V134	V134-T160 PolarHBondContact N-O 3.45Å; V134-T160 VanDerWaalsContact O-O 3.13Å; V134-T160 PolarHBondContact O-OG1 3.31Å
161	R	94.1	Very high	93	Very high	136 Å²	136	77.1 Å²	77.1	51%	0.513	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.8	171.8	-61.1	-177.8	66.5	81.2	2.4	109.2	D131 V132	D131-R161 VanDerWaalsContact CG-NE 3.27Å; D131-R161 PolarHBondContact O-NH2 3.04Å; D131-R161 IonicContact OD1-CZ 3.77Å; D131-R161 IonicContact OD1-NE 3.71Å; D131-R161 PolarHBondContact OD1-NE 3.38Å; D131-R161 IonicContact OD1-NH2 2.92Å; D131-R161 PolarHBondContact OD1-NH2 3.14Å; D131-R161 WeakPolarHBondContact OD2-CB 3.29Å; D131-R161 WeakPolarHBondContact OD2-CD 3.27Å; D131-R161 IonicContact OD2-CZ 2.78Å; D131-R161 IonicContact OD2-NE 3.68Å; D131-R161 PolarHBondContact OD2-NE 2.87Å; D131-R161 IonicContact OD2-NH2 2.9Å; V132-R161 CarbonylContact O-C 3.38Å; V132-R161 VanDerWaalsContact O-CA 3.28Å; V132-R161 WeakPolarHBondContact O-CA 3.39Å
162	Q	93.9	Very high	93.2	Very high	37 Å²	37	81.4 Å²	81.4	17%	0.173	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.3	179.3	-174.7	168.1	-10.2	0	0	110	D131 V132 V134 A287 E290	D131-Q162 CarbonylContact C-O 3.5Å; D131-Q162 VanDerWaalsContact CA-O 3.28Å; D131-Q162 WeakPolarHBondContact CA-O 3.48Å; D131-Q162 WeakPolarHBondContact CB-O 3.34Å; V132-Q162 PolarHBondContact N-O 3.03Å; V132-Q162 PolarHBondContact O-N 3.37Å; V134-Q162 HydrophobicContact CG1-CB 3.82Å; V134-Q162 HydrophobicContact CG2-CB 3.9Å; Q162-A287 HydrophobicContact CG-CB 4.43Å; Q162-A287 PolarHBondContact OE1-O 2.89Å; Q162-E290 PolarHBondContact NE2-OE2 3.45Å
163	R	95.3	Very high	93.4	Very high	142 Å²	142	78.8 Å²	78.8	54%	0.536	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	140.7	174.3	-67.3	-179.3	-178.2	177.4	-0.8	109.9	V130 D131 G165 V166	V130-R163 WeakPolarHBondContact O-CA 3.12Å; D131-R163 HydrophobicContact CB-CG 4.49Å; R163-G165 VanDerWaalsContact C-N 3.35Å; R163-V166 HydrophobicContact CB-CG2 4.03Å; R163-V166 WeakPolarHBondContact O-CG2 3.3Å
164	V	94.2	Very high	93.6	Very high	9 Å²	9	78.6 Å²	78.6	6%	0.055	42%	0.424	C	S	.	.	S	Bend	trans	-74.7	-28	178.5	-57.9	0	0	0	0	112.4	V130 V132 V166 L280 R343	V130-V164 HydrophobicContact CB-CG2 3.79Å; V130-V164 HydrophobicContact CG1-CG1 4.21Å; V130-V164 HydrophobicContact CG1-CG2 3.97Å; V130-V164 WeakPolarHBondContact O-CG2 3.28Å; V130-V164 PolarHBondContact O-N 3.5Å; V132-V164 HydrophobicContact CB-CG1 4.42Å; V132-V164 HydrophobicContact CG1-CG1 3.67Å; V132-V164 HydrophobicContact CG2-CG1 4.02Å; V164-V166 PolarHBondContact O-N 2.98Å; V164-L280 HydrophobicContact CB-CD1 4.3Å; V164-L280 HydrophobicContact CG1-CD1 4.39Å; V164-L280 HydrophobicContact CG2-CD1 3.78Å; V164-R343 PolarHBondContact O-NH1 3.02Å; V164-R343 PolarHBondContact O-NH2 3.4Å
165	G	89.1	Confident	93.8	Very high	44 Å²	44	79.5 Å²	79.5	45%	0.454	42%	0.418	S	S	.	.	S	Bend	trans	-98.6	49.9	-176.2	0	0	0	0	0	114.3	R163	R163-G165 VanDerWaalsContact C-N 3.35Å
166	V	91.8	Very high	94	Very high	59 Å²	59	79.7 Å²	79.7	36%	0.358	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-84.4	147.1	177.9	179.2	0	0	0	0	111	R163 V164	R163-V166 HydrophobicContact CB-CG2 4.03Å; R163-V166 WeakPolarHBondContact O-CG2 3.3Å; V164-V166 PolarHBondContact O-N 2.98Å
167	K	94.2	Very high	94.2	Very high	190 Å²	190	79.6 Å²	79.6	83%	0.826	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-66.9	139.4	175.9	-171.6	179.3	178.3	177.3	0	110.8
168	A	95.6	Very high	94.3	Very high	25 Å²	25	81.7 Å²	81.7	21%	0.207	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-60.1	151.1	172.8	0	0	0	0	0	112.4	G170 E342 R343	A168-G170 PolarHBondContact O-N 3.32Å; A168-E342 HydrophobicContact CB-CB 4.06Å; A168-E342 WeakPolarHBondContact CB-O 3.35Å; A168-R343 HydrophobicContact CB-CG 3.96Å
169	P	95.6	Very high	94.4	Very high	16 Å²	16	83.6 Å²	83.6	10%	0.104	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-54.9	137	171	-23.8	33.5	0	0	0	111	R174 M347	P169-R174 HydrophobicContact CB-CG 4.4Å; P169-R174 VanDerWaalsContact O-CZ 3.28Å; P169-R174 PolarHBondContact O-NE 3.32Å; P169-R174 PolarHBondContact O-NH2 2.77Å; P169-M347 HydrophobicContact CB-CE 4.25Å; P169-M347 HydrophobicContact CB-SD 3.92Å; P169-M347 HydrophobicContact CG-CE 4.41Å; P169-M347 HydrophobicContact CG-SD 3.81Å
170	G	95.2	Very high	94.7	Very high	42 Å²	42	76.1 Å²	76.1	43%	0.433	39%	0.391	S	S	.	.			trans	-67.5	-171.4	174.2	0	0	0	0	0	112.9	A168 R174	A168-G170 PolarHBondContact O-N 3.32Å; G170-R174 WeakPolarHBondContact O-CD 3.34Å; G170-R174 VanDerWaalsContact O-CG 3.29Å; G170-R174 WeakPolarHBondContact O-CG 3.48Å; G170-R174 PolarHBondContact O-NE 3.38Å
171	I	95.4	Very high	94.8	Very high	152 Å²	152	73.3 Å²	73.3	78%	0.779	37%	0.373	S	S	*	.	S	Bend	trans	-70.2	-44.7	179.7	-59.9	174.4	0	0	0	111.5	R174	I171-R174 PolarHBondContact O-N 3.45Å
172	I	96.5	Very high	94.9	Very high	144 Å²	144	67.8 Å²	67.8	74%	0.738	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-41.3	-173.5	-56.8	-61.3	0	0	0	114.2	R174 N348	I172-R174 PolarHBondContact O-N 3.36Å; I172-N348 PolarHBondContact O-ND2 3.09Å; I172-N348 VanDerWaalsContact O-ND2 3.17Å
173	P	96.7	Very high	95.1	Very high	21 Å²	21	66 Å²	66	14%	0.136	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.7	177.3	-23.2	36.5	0	0	0	114.8	M347 N348 Y351	P173-M347 HydrophobicContact CB-CE 3.66Å; P173-M347 CarbonylContact O-C 3.47Å; P173-M347 WeakPolarHBondContact O-CA 3.37Å; P173-N348 PolarHBondContact O-N 3.2Å; P173-Y351 HydrophobicContact CB-CD2 3.72Å; P173-Y351 HydrophobicContact CB-CE2 3.69Å; P173-Y351 HydrophobicContact CB-CG 4.23Å; P173-Y351 HydrophobicContact CG-CD2 4.46Å; P173-Y351 HydrophobicContact CG-CE2 3.92Å
174	R	97	Very high	95.1	Very high	69 Å²	69	59.3 Å²	59.3	26%	0.26	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-88.4	158.8	-177.7	-63.2	175.9	-169.3	-159.2	0.7	111.3	P169 G170 I171 I172 E342 A345 K346	P169-R174 HydrophobicContact CB-CG 4.4Å; P169-R174 VanDerWaalsContact O-CZ 3.28Å; P169-R174 PolarHBondContact O-NE 3.32Å; P169-R174 PolarHBondContact O-NH2 2.77Å; G170-R174 WeakPolarHBondContact O-CD 3.34Å; G170-R174 VanDerWaalsContact O-CG 3.29Å; G170-R174 WeakPolarHBondContact O-CG 3.48Å; G170-R174 PolarHBondContact O-NE 3.38Å; I171-R174 PolarHBondContact O-N 3.45Å; I172-R174 PolarHBondContact O-N 3.36Å; R174-E342 IonicContact CZ-OE2 3Å; R174-E342 IonicContact NH1-OE2 3.4Å; R174-E342 PolarHBondContact NH1-OE2 2.84Å; R174-E342 PolarHBondContact NH2-O 3.32Å; R174-E342 IonicContact NH2-OE2 2.7Å; R174-E342 PolarHBondContact NH2-OE2 3.17Å; R174-E342 VanDerWaalsContact NH2-OE2 3.13Å; R174-A345 HydrophobicContact CG-CB 4.1Å; R174-K346 WeakPolarHBondContact CA-O 3.34Å
175	I	96.5	Very high	95.2	Very high	64 Å²	64	59 Å²	59	33%	0.328	32%	0.318	S	S	.	.			trans	-131.8	157.7	167.3	-168.3	168.2	0	0	0	109.7	K346 M347 N348	I175-K346 HydrophobicContact CG2-CB 4.35Å; I175-K346 HydrophobicContact CG2-CG 3.52Å; I175-K346 PolarHBondContact N-O 3Å; I175-M347 WeakPolarHBondContact CG2-O 3.46Å; I175-N348 HydrophobicContact CB-CB 4.14Å
176	S	96.2	Very high	95.6	Very high	78 Å²	78	57 Å²	57	55%	0.545	30%	0.297	S	S	.	.			trans	-58	139.4	176.7	-50.6	0	0	0	0	112.1	R178	S176-R178 PolarHBondContact O-N 3.05Å
177	V	95.9	Very high	95.7	Very high	24 Å²	24	54.4 Å²	54.4	15%	0.145	28%	0.282	C	S	.	.			trans	-70.8	113.8	175.4	178.5	0	0	0	0	109.7	R196 K346 V409	V177-R196 WeakPolarHBondContact CG1-O 3.35Å; V177-K346 HydrophobicContact CG2-CB 4.39Å; V177-V409 HydrophobicContact CB-CG1 4.29Å; V177-V409 HydrophobicContact CG1-CG1 4.29Å
178	R	92.2	Very high	95.8	Very high	179 Å²	179	45.4 Å²	45.4	68%	0.675	24%	0.242	S	C	*	.			trans	-128.8	-9.3	-179.7	-62.9	177.9	-176.8	167.8	2	113.7	S176	S176-R178 PolarHBondContact O-N 3.05Å
179	E	93.6	Very high	95.8	Very high	71 Å²	71	44.5 Å²	44.5	33%	0.332	23%	0.234	S	C	.	.	S	Bend	trans	-98.6	128	-178.7	-70.2	170	-144.3	0	0	109.3	G195 R196 H298 K346	E179-G195 CarbonylContact O-C 3.57Å; E179-G195 VanDerWaalsContact O-CA 3.25Å; E179-G195 WeakPolarHBondContact O-CA 3.29Å; E179-R196 HydrophobicContact CB-CB 4.16Å; E179-R196 HydrophobicContact CB-CG 4.19Å; E179-R196 PolarHBondContact O-N 3.28Å; E179-R196 WeakPolarHBondContact OE2-CD 3.15Å; E179-R196 IonicContact OE2-NH1 3.42Å; E179-H298 IonicContact OE2-CE1 2.79Å; E179-H298 PolarHBondContact OE2-CE1 3.06Å; E179-H298 IonicContact OE2-NE2 3.55Å; E179-K346 VanDerWaalsContact OE1-CE 3.26Å; E179-K346 WeakPolarHBondContact OE1-CE 3.49Å; E179-K346 IonicContact OE1-NZ 3.63Å
180	P	95.9	Very high	95.8	Very high	35 Å²	35	44 Å²	44	23%	0.227	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.6	177.7	29.1	-34.9	0	0	0	111.7	A413 T415	P180-A413 WeakPolarHBondContact CA-O 3.49Å; P180-A413 VanDerWaalsContact CB-O 3.24Å; P180-A413 WeakPolarHBondContact CB-O 3.45Å; P180-T415 HydrophobicContact CG-CG2 4.15Å
181	M	96.7	Very high	95.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	104	164	-169.2	-75.9	-69.6	0	0	107.4	T183 I194 R196 T217 L234 L300 T357 L359	M181-T183 HydrophobicContact CE-CG2 4.06Å; M181-T183 PolarHBondContact O-N 3.44Å; M181-T183 HydrophobicContact SD-CG2 4.49Å; M181-I194 WeakPolarHBondContact CA-O 3.31Å; M181-I194 HydrophobicContact CE-CB 3.93Å; M181-I194 HydrophobicContact CE-CD1 4.07Å; M181-I194 HydrophobicContact CE-CG2 3.65Å; M181-I194 PolarHBondContact N-O 3.18Å; M181-R196 HydrophobicContact CB-CG 4.09Å; M181-T217 HydrophobicContact CE-CG2 3.79Å; M181-T217 HydrophobicContact SD-CG2 3.67Å; M181-L234 HydrophobicContact CG-CD2 3.81Å; M181-L234 HydrophobicContact SD-CD2 4.26Å; M181-L300 HydrophobicContact CE-CD1 3.99Å; M181-L300 HydrophobicContact SD-CD2 4.34Å; M181-T357 HydrophobicContact CE-CG2 4.35Å; M181-T357 HydrophobicContact CG-CG2 4.46Å; M181-L359 HydrophobicContact CE-CD1 4.23Å; M181-L359 HydrophobicContact CE-CD2 4.49Å
182	Q	96.2	Very high	95.7	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.093	18%	0.175	C	C	.	.			trans	-77.1	121	-172.8	-61.2	-64.7	-23	0	0	109.9	N220 Q221 F224	Q182-N220 PolarHBondContact O-ND2 3.36Å; Q182-Q221 PolarHBondContact O-NE2 2.89Å; Q182-F224 HydrophobicContact CB-CE2 4.28Å; Q182-F224 HydrophobicContact CG-CZ 4.34Å
183	T	97	Very high	95.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	14%	0.143	C	C	.	.			trans	-84.4	-24.1	176.8	66.3	0	0	0	0	112.5	M181 I185 V188 D189 I194 T217 N220	M181-T183 HydrophobicContact CE-CG2 4.06Å; M181-T183 PolarHBondContact O-N 3.44Å; M181-T183 HydrophobicContact SD-CG2 4.49Å; T183-I185 PolarHBondContact OG1-N 2.97Å; T183-V188 HydrophobicContact CG2-CB 4.42Å; T183-V188 HydrophobicContact CG2-CG1 3.71Å; T183-D189 WeakPolarHBondContact CB-OD1 3.42Å; T183-D189 PolarHBondContact N-OD1 3.36Å; T183-D189 PolarHBondContact N-OD2 3.04Å; T183-D189 PolarHBondContact OG1-OD1 3.26Å; T183-D189 PolarHBondContact OG1-OD2 3.26Å; T183-I194 HydrophobicContact CG2-CD1 3.85Å; T183-I194 HydrophobicContact CG2-CG1 4.46Å; T183-T217 HydrophobicContact CG2-CG2 4.08Å; T183-N220 VanDerWaalsContact O-CB 3.3Å; T183-N220 WeakPolarHBondContact O-CB 3.48Å
184	G	96	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	81.3	4.9	-173.8	0	0	0	0	0	112.8	D189 N220 Q465 P470 M471 Q476	G184-D189 WeakPolarHBondContact CA-OD2 3.23Å; G184-D189 PolarHBondContact N-OD2 3.17Å; G184-N220 PolarHBondContact N-ND2 3.45Å; G184-Q465 PolarHBondContact O-NE2 2.92Å; G184-P470 WeakPolarHBondContact O-CA 3.44Å; G184-M471 WeakPolarHBondContact CA-O 3.32Å; G184-M471 PolarHBondContact O-N 3.25Å; G184-Q476 VanDerWaalsContact C-NE2 3.35Å; G184-Q476 VanDerWaalsContact CA-NE2 3.35Å
185	I	97	Very high	95.8	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.124	C	C	.	.			trans	-107.2	115.7	-178.8	-60	171	0	0	0	108	T183 A187 V188 D189 I213 D216 P398	T183-I185 PolarHBondContact OG1-N 2.97Å; I185-A187 VanDerWaalsContact C-N 3.28Å; I185-A187 PolarHBondContact O-N 2.77Å; I185-V188 HydrophobicContact CB-CB 4.21Å; I185-V188 HydrophobicContact CB-CG2 4.1Å; I185-V188 HydrophobicContact CG2-CB 4.38Å; I185-V188 HydrophobicContact CG2-CG2 3.91Å; I185-V188 PolarHBondContact O-N 3.48Å; I185-D189 PolarHBondContact N-OD2 3.49Å; I185-D189 PolarHBondContact O-N 2.9Å; I185-I213 HydrophobicContact CD1-CB 4.09Å; I185-I213 HydrophobicContact CD1-CG1 4.12Å; I185-I213 HydrophobicContact CD1-CG2 3.82Å; I185-D216 HydrophobicContact CD1-CB 4.14Å; I185-D216 HydrophobicContact CG1-CB 4.35Å; I185-P398 HydrophobicContact CG2-CG 3.73Å
186	K	95.9	Very high	95.8	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-49.3	-48.6	-176.6	-72.5	175	-67	-173.4	0	112.2	V188 S190 L462 L463 K464 M471 Q476 V479 E500	K186-V188 VanDerWaalsContact C-N 3.33Å; K186-V188 PolarHBondContact O-N 3.13Å; K186-S190 VanDerWaalsContact O-CB 3.23Å; K186-S190 WeakPolarHBondContact O-CB 3.22Å; K186-S190 PolarHBondContact O-N 3.35Å; K186-S190 VanDerWaalsContact O-N 3.1Å; K186-S190 PolarHBondContact O-OG 3.06Å; K186-L462 VanDerWaalsContact CE-O 3.29Å; K186-L462 WeakPolarHBondContact CE-O 3.43Å; K186-L462 PolarHBondContact NZ-O 3.33Å; K186-L463 HydrophobicContact CB-CD2 4.14Å; K186-K464 PolarHBondContact NZ-O 3.4Å; K186-M471 HydrophobicContact CD-CE 4.12Å; K186-M471 HydrophobicContact CD-SD 3.66Å; K186-M471 HydrophobicContact CG-CE 4.44Å; K186-M471 HydrophobicContact CG-SD 3.87Å; K186-Q476 HydrophobicContact CG-CB 4.44Å; K186-Q476 HydrophobicContact CG-CG 3.95Å; K186-V479 HydrophobicContact CD-CG1 4.23Å; K186-E500 IonicContact NZ-OE1 3.76Å; K186-E500 PolarHBondContact NZ-OE1 3.29Å; K186-E500 IonicContact NZ-OE2 2.88Å; K186-E500 PolarHBondContact NZ-OE2 3.26Å
187	A	94.9	Very high	95.8	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-33.3	-177.2	0	0	0	0	0	113.4	I185 L191 P398 I400 L463	I185-A187 VanDerWaalsContact C-N 3.28Å; I185-A187 PolarHBondContact O-N 2.77Å; A187-L191 VanDerWaalsContact O-CB 3.23Å; A187-L191 WeakPolarHBondContact O-CB 3.23Å; A187-L191 WeakPolarHBondContact O-CG 3.39Å; A187-L191 PolarHBondContact O-N 3.16Å; A187-P398 HydrophobicContact CB-CG 4.11Å; A187-I400 HydrophobicContact CB-CD1 3.84Å; A187-L463 HydrophobicContact CB-CD2 4.24Å
188	V	96.1	Very high	95.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-79	-56.2	178.8	178.8	0	0	0	0	110	T183 I185 K186 S190 L191 V192 I194 I385 I400	T183-V188 HydrophobicContact CG2-CB 4.42Å; T183-V188 HydrophobicContact CG2-CG1 3.71Å; I185-V188 HydrophobicContact CB-CB 4.21Å; I185-V188 HydrophobicContact CB-CG2 4.1Å; I185-V188 HydrophobicContact CG2-CB 4.38Å; I185-V188 HydrophobicContact CG2-CG2 3.91Å; I185-V188 PolarHBondContact O-N 3.48Å; K186-V188 VanDerWaalsContact C-N 3.33Å; K186-V188 PolarHBondContact O-N 3.13Å; V188-S190 PolarHBondContact O-N 2.79Å; V188-S190 VanDerWaalsContact O-N 3.16Å; V188-L191 PolarHBondContact O-N 3.37Å; V188-V192 HydrophobicContact CB-CG2 4.45Å; V188-V192 HydrophobicContact CG1-CG2 4.27Å; V188-V192 CarbonylContact O-C 3.56Å; V188-V192 WeakPolarHBondContact O-CA 3.19Å; V188-V192 PolarHBondContact O-N 2.84Å; V188-V192 VanDerWaalsContact O-O 3.09Å; V188-I194 HydrophobicContact CG1-CD1 3.91Å; V188-I194 HydrophobicContact CG1-CG1 4.07Å; V188-I385 HydrophobicContact CG1-CD1 3.86Å; V188-I385 HydrophobicContact CG2-CD1 4.07Å; V188-I400 HydrophobicContact CG2-CD1 3.55Å
189	D	96.3	Very high	96.2	Very high	6 Å²	6	10.3 Å²	10.3	3%	0.032	5%	0.054	C	C	.	.	H	α-helix	trans	-63	-28.5	-173.8	-65.4	-21.1	0	0	0	112.7	T183 G184 I185 Q414 Q476	T183-D189 WeakPolarHBondContact CB-OD1 3.42Å; T183-D189 PolarHBondContact N-OD1 3.36Å; T183-D189 PolarHBondContact N-OD2 3.04Å; T183-D189 PolarHBondContact OG1-OD1 3.26Å; T183-D189 PolarHBondContact OG1-OD2 3.26Å; G184-D189 WeakPolarHBondContact CA-OD2 3.23Å; G184-D189 PolarHBondContact N-OD2 3.17Å; I185-D189 PolarHBondContact N-OD2 3.49Å; I185-D189 PolarHBondContact O-N 2.9Å; D189-Q414 PolarHBondContact O-NE2 2.95Å; D189-Q476 PolarHBondContact OD2-NE2 2.84Å; D189-Q476 PolarHBondContact OD2-OE1 3.33Å
190	S	94.6	Very high	96.4	Very high	5 Å²	5	7 Å²	7	4%	0.035	4%	0.038	C	C	.	.	H	α-helix	trans	-89.1	-40.9	177.8	67.2	0	0	0	0	114.6	K186 V188 Q414	K186-S190 VanDerWaalsContact O-CB 3.23Å; K186-S190 WeakPolarHBondContact O-CB 3.22Å; K186-S190 PolarHBondContact O-N 3.35Å; K186-S190 VanDerWaalsContact O-N 3.1Å; K186-S190 PolarHBondContact O-OG 3.06Å; V188-S190 PolarHBondContact O-N 2.79Å; V188-S190 VanDerWaalsContact O-N 3.16Å; S190-Q414 PolarHBondContact O-NE2 3.36Å
191	L	93.6	Very high	96.5	Very high	8 Å²	8	5.3 Å²	5.3	4%	0.042	3%	0.027	C	C	.	.	H	α-helix	trans	-101.9	-35.5	-170.8	-53.7	176.1	0	0	0	114.2	A187 V188 V402 M425 K426 L429 L463	A187-L191 VanDerWaalsContact O-CB 3.23Å; A187-L191 WeakPolarHBondContact O-CB 3.23Å; A187-L191 WeakPolarHBondContact O-CG 3.39Å; A187-L191 PolarHBondContact O-N 3.16Å; V188-L191 PolarHBondContact O-N 3.37Å; L191-V402 HydrophobicContact CD1-CB 4.39Å; L191-V402 HydrophobicContact CD1-CG1 3.95Å; L191-V402 HydrophobicContact CD1-CG2 3.64Å; L191-M425 HydrophobicContact CD2-CB 4.39Å; L191-M425 HydrophobicContact CD2-CG 4.09Å; L191-M425 HydrophobicContact CD2-SD 4.21Å; L191-K426 HydrophobicContact CD2-CB 4.13Å; L191-L429 HydrophobicContact CD1-CD1 4.12Å; L191-L429 HydrophobicContact CD2-CD1 4.1Å; L191-L463 HydrophobicContact CD1-CD1 3.76Å
192	V	95	Very high	96.6	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.006	3%	0.027	C	C	.	.	S	Bend	trans	-136.1	65.2	-175.3	-72.3	0	0	0	0	109.4	V188 I385	V188-V192 HydrophobicContact CB-CG2 4.45Å; V188-V192 HydrophobicContact CG1-CG2 4.27Å; V188-V192 CarbonylContact O-C 3.56Å; V188-V192 WeakPolarHBondContact O-CA 3.19Å; V188-V192 PolarHBondContact O-N 2.84Å; V188-V192 VanDerWaalsContact O-O 3.09Å; V192-I385 HydrophobicContact CG2-CD1 4.34Å; V192-I385 HydrophobicContact CG2-CG1 3.92Å
193	P	96.1	Very high	96.6	Very high	8 Å²	8	4.3 Å²	4.3	5%	0.052	2%	0.022	C	C	.	.			trans	-64.3	145.4	-173.1	29.3	-38.1	0	0	0	111.3	S407 G410 A413 Q414	P193-S407 WeakPolarHBondContact O-CB 3.23Å; P193-S407 PolarHBondContact O-OG 2.71Å; P193-G410 VanDerWaalsContact CG-O 3.3Å; P193-G410 WeakPolarHBondContact CG-O 3.23Å; P193-A413 HydrophobicContact CB-CB 4.35Å; P193-Q414 HydrophobicContact CB-CG 3.39Å; P193-Q414 HydrophobicContact CG-CG 3.67Å
194	I	97.9	Very high	96.6	Very high	3 Å²	3	4.2 Å²	4.2	2%	0.015	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.9	179.9	-48.5	-178.7	0	0	0	108.4	M181 T183 V188 Q198 E200 T357 L359 I385	M181-I194 WeakPolarHBondContact CA-O 3.31Å; M181-I194 HydrophobicContact CE-CB 3.93Å; M181-I194 HydrophobicContact CE-CD1 4.07Å; M181-I194 HydrophobicContact CE-CG2 3.65Å; M181-I194 PolarHBondContact N-O 3.18Å; T183-I194 HydrophobicContact CG2-CD1 3.85Å; T183-I194 HydrophobicContact CG2-CG1 4.46Å; V188-I194 HydrophobicContact CG1-CD1 3.91Å; V188-I194 HydrophobicContact CG1-CG1 4.07Å; I194-Q198 HydrophobicContact CG2-CB 4.36Å; I194-E200 HydrophobicContact CD1-CB 3.98Å; I194-E200 HydrophobicContact CD1-CG 4.01Å; I194-E200 HydrophobicContact CG1-CB 4.11Å; I194-E200 HydrophobicContact CG1-CG 4Å; I194-E200 HydrophobicContact CG2-CB 4.19Å; I194-T357 HydrophobicContact CG2-CG2 4Å; I194-L359 HydrophobicContact CD1-CD2 3.71Å; I194-L359 HydrophobicContact CG2-CD2 4.28Å; I194-I385 HydrophobicContact CD1-CD1 4.13Å
195	G	97.2	Very high	96.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	160.5	176.6	0	0	0	0	0	113.2	E179 G197 Q198 T357	E179-G195 CarbonylContact O-C 3.57Å; E179-G195 VanDerWaalsContact O-CA 3.25Å; E179-G195 WeakPolarHBondContact O-CA 3.29Å; G195-G197 PolarHBondContact O-N 2.87Å; G195-Q198 WeakPolarHBondContact O-CB 3.26Å; G195-Q198 PolarHBondContact O-N 3Å; G195-T357 WeakPolarHBondContact O-CG2 3.45Å
196	R	97.2	Very high	96.3	Very high	19 Å²	19	13.5 Å²	13.5	7%	0.072	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	117.8	175.9	-66.5	-175.7	177.4	-159.3	-8.3	110.6	V177 E179 M181 K231 K232 H298 T357	V177-R196 WeakPolarHBondContact CG1-O 3.35Å; E179-R196 HydrophobicContact CB-CB 4.16Å; E179-R196 HydrophobicContact CB-CG 4.19Å; E179-R196 PolarHBondContact O-N 3.28Å; E179-R196 WeakPolarHBondContact OE2-CD 3.15Å; E179-R196 IonicContact OE2-NH1 3.42Å; M181-R196 HydrophobicContact CB-CG 4.09Å; R196-K231 PolarHBondContact NH1-O 3.06Å; R196-K232 PolarHBondContact NH2-O 2.84Å; R196-H298 PolarHBondContact NH1-CD2 3.14Å; R196-H298 VanDerWaalsContact NH1-CG 3.27Å; R196-H298 PolarHBondContact NH1-NE2 2.58Å; R196-T357 WeakPolarHBondContact CA-OG1 3.47Å
197	G	96.4	Very high	96	Very high	5 Å²	5	20.9 Å²	20.9	5%	0.052	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	1.8	-173	0	0	0	0	0	114.7	G195 L356 T357	G195-G197 PolarHBondContact O-N 2.87Å; G197-L356 WeakPolarHBondContact CA-O 3.47Å; G197-T357 PolarHBondContact N-OG1 2.9Å
198	Q	97.5	Very high	95.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.092	C	C	.	.			trans	-81.6	156.8	174.1	-174.4	170.3	-12.4	0	0	111.5	I194 G195 E200 T357 A358 D382 S407 V409	I194-Q198 HydrophobicContact CG2-CB 4.36Å; G195-Q198 WeakPolarHBondContact O-CB 3.26Å; G195-Q198 PolarHBondContact O-N 3Å; Q198-E200 PolarHBondContact NE2-OE2 3.02Å; Q198-T357 WeakPolarHBondContact O-CG2 3.46Å; Q198-A358 PolarHBondContact O-N 2.98Å; Q198-D382 HydrophobicContact CG-CB 3.68Å; Q198-S407 PolarHBondContact NE2-OG 2.96Å; Q198-V409 HydrophobicContact CG-CG2 3.94Å
199	R	98.3	Very high	95.7	Very high	23 Å²	23	21.8 Å²	21.8	9%	0.087	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-112.8	107.5	170.4	-58.5	144.8	-57.2	176.6	5.6	109.5	L341 E342 A344 A358 T381 D382	R199-L341 WeakPolarHBondContact CD-O 3.38Å; R199-E342 IonicContact CZ-OE1 2.57Å; R199-E342 IonicContact NH1-OE1 2.68Å; R199-E342 PolarHBondContact NH1-OE1 3.03Å; R199-E342 IonicContact NH1-OE2 3.59Å; R199-E342 PolarHBondContact NH1-OE2 3.07Å; R199-A344 HydrophobicContact CG-CB 3.93Å; R199-A358 CarbonylContact C-O 3.6Å; R199-A358 VanDerWaalsContact CA-O 3.31Å; R199-A358 WeakPolarHBondContact CA-O 3.3Å; R199-A358 HydrophobicContact CG-CB 4.08Å; R199-T381 HydrophobicContact CB-CG2 4.29Å; R199-D382 IonicContact CZ-OD1 3.5Å; R199-D382 IonicContact CZ-OD2 2.69Å; R199-D382 VanDerWaalsContact CZ-OD2 3.31Å; R199-D382 PolarHBondContact N-OD2 2.82Å; R199-D382 IonicContact NE-OD1 3.43Å; R199-D382 IonicContact NE-OD2 3.81Å; R199-D382 PolarHBondContact NE-OD2 3.4Å; R199-D382 IonicContact NH2-OD1 2.92Å; R199-D382 PolarHBondContact NH2-OD1 2.82Å; R199-D382 IonicContact NH2-OD2 3.71Å; R199-D382 PolarHBondContact NH2-OD2 3.01Å; R199-D382 VanDerWaalsContact NH2-OD2 3.09Å; R199-D382 WeakPolarHBondContact O-CA 3.47Å; R199-D382 WeakPolarHBondContact O-CB 3.43Å; R199-D382 PolarHBondContact O-N 2.87Å
200	E	98.2	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.3	-177.4	-161.2	75.6	176.9	0	0	110.9	I194 Q198 A358 L359 P360 G383 Q384 I385 V406	I194-E200 HydrophobicContact CD1-CB 3.98Å; I194-E200 HydrophobicContact CD1-CG 4.01Å; I194-E200 HydrophobicContact CG1-CB 4.11Å; I194-E200 HydrophobicContact CG1-CG 4Å; I194-E200 HydrophobicContact CG2-CB 4.19Å; Q198-E200 PolarHBondContact NE2-OE2 3.02Å; E200-A358 PolarHBondContact N-O 2.93Å; E200-L359 HydrophobicContact CB-CD2 3.81Å; E200-L359 WeakPolarHBondContact O-CA 3.34Å; E200-P360 WeakPolarHBondContact O-CD 3.37Å; E200-G383 VanDerWaalsContact OE2-CA 3.32Å; E200-G383 WeakPolarHBondContact OE2-CA 3.26Å; E200-G383 PolarHBondContact OE2-N 3.07Å; E200-Q384 PolarHBondContact OE1-N 2.97Å; E200-I385 HydrophobicContact CG-CD1 4.1Å; E200-I385 HydrophobicContact CG-CG1 4.03Å; E200-V406 VanDerWaalsContact OE1-O 3.09Å
201	L	98.3	Very high	95.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.5	-177.5	174.7	61	0	0	0	111.7	I203 P360 I362 V377 I378 T381 G383 Q384 I385	L201-I203 HydrophobicContact CD1-CB 4.43Å; L201-I203 HydrophobicContact CD2-CB 4.04Å; L201-I203 HydrophobicContact CD2-CD1 4.31Å; L201-I203 HydrophobicContact CD2-CG2 4.11Å; L201-I203 HydrophobicContact CG-CB 3.91Å; L201-I203 HydrophobicContact CG-CG2 4.07Å; L201-P360 HydrophobicContact CB-CG 4.5Å; L201-P360 HydrophobicContact CD1-CB 4.35Å; L201-P360 HydrophobicContact CD1-CG 4.17Å; L201-P360 WeakPolarHBondContact CD1-O 3.3Å; L201-I362 HydrophobicContact CD1-CB 3.89Å; L201-I362 HydrophobicContact CD1-CG1 3.57Å; L201-V377 HydrophobicContact CD1-CG1 3.68Å; L201-V377 HydrophobicContact CD2-CB 4.41Å; L201-V377 HydrophobicContact CD2-CG1 4.07Å; L201-V377 HydrophobicContact CG-CG1 4.38Å; L201-I378 HydrophobicContact CD2-CB 4.5Å; L201-I378 HydrophobicContact CD2-CG1 3.6Å; L201-T381 HydrophobicContact CB-CG2 4.03Å; L201-T381 WeakPolarHBondContact CB-OG1 3.44Å; L201-G383 WeakPolarHBondContact CB-O 3.25Å; L201-G383 PolarHBondContact N-O 2.82Å; L201-Q384 HydrophobicContact CB-CB 4Å; L201-Q384 HydrophobicContact CD2-CB 4.25Å; L201-Q384 HydrophobicContact CG-CB 4.36Å; L201-Q384 CarbonylContact O-C 3.56Å; L201-Q384 VanDerWaalsContact O-CA 3.24Å; L201-Q384 WeakPolarHBondContact O-CA 3.19Å; L201-I385 PolarHBondContact O-N 3.19Å
202	I	98.1	Very high	95.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	106.5	166.8	-57.8	173.2	0	0	0	108	K210 I213 A214 L359 P360 V361 I362 I385 L387	I202-K210 HydrophobicContact CG2-CB 3.78Å; I202-K210 HydrophobicContact CG2-CD 4.45Å; I202-K210 HydrophobicContact CG2-CG 3.92Å; I202-I213 HydrophobicContact CD1-CB 4.48Å; I202-I213 HydrophobicContact CD1-CG2 3.95Å; I202-A214 HydrophobicContact CD1-CB 4.41Å; I202-L359 HydrophobicContact CD1-CB 4.36Å; I202-P360 PolarHBondContact N-O 2.82Å; I202-V361 HydrophobicContact CB-CG2 4.36Å; I202-V361 CarbonylContact O-C 3.57Å; I202-V361 VanDerWaalsContact O-CA 3.3Å; I202-V361 WeakPolarHBondContact O-CA 3.47Å; I202-I362 PolarHBondContact O-N 3.05Å; I202-I385 HydrophobicContact CG1-CD1 4.48Å; I202-L387 HydrophobicContact CG2-CD1 4.37Å
203	I	97.5	Very high	95.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.1	-173.9	178.4	168.2	0	0	0	110.6	L201 I362 T364 V369 P374 I378 Q384 I385 F386 L387	L201-I203 HydrophobicContact CD1-CB 4.43Å; L201-I203 HydrophobicContact CD2-CB 4.04Å; L201-I203 HydrophobicContact CD2-CD1 4.31Å; L201-I203 HydrophobicContact CD2-CG2 4.11Å; L201-I203 HydrophobicContact CG-CB 3.91Å; L201-I203 HydrophobicContact CG-CG2 4.07Å; I203-I362 WeakPolarHBondContact CA-O 3.17Å; I203-I362 HydrophobicContact CD1-CG2 4.22Å; I203-I362 HydrophobicContact CG1-CB 4.45Å; I203-I362 HydrophobicContact CG1-CG2 4.22Å; I203-T364 HydrophobicContact CD1-CG2 3.66Å; I203-T364 HydrophobicContact CG1-CG2 3.55Å; I203-V369 HydrophobicContact CD1-CG1 4.19Å; I203-P374 HydrophobicContact CD1-CB 3.89Å; I203-I378 HydrophobicContact CD1-CD1 4.16Å; I203-Q384 HydrophobicContact CG2-CB 4.08Å; I203-I385 WeakPolarHBondContact CG2-O 3.46Å; I203-I385 PolarHBondContact N-O 3.35Å; I203-F386 HydrophobicContact CG1-CD2 4.32Å; I203-F386 HydrophobicContact CG1-CE2 4.43Å; I203-F386 HydrophobicContact CG2-CB 4.36Å; I203-F386 HydrophobicContact CG2-CD2 3.8Å; I203-F386 WeakPolarHBondContact O-CA 3.44Å; I203-L387 PolarHBondContact O-N 3.07Å
204	G	96.4	Very high	95.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.5	175.8	173.6	0	0	0	0	0	112.7	K210 I362 E363 T364	G204-K210 WeakPolarHBondContact O-CD 3.28Å; G204-K210 PolarHBondContact O-NZ 3.27Å; G204-I362 PolarHBondContact N-O 3.49Å; G204-E363 WeakPolarHBondContact O-CA 3.35Å; G204-T364 WeakPolarHBondContact CA-OG1 3.41Å; G204-T364 PolarHBondContact O-N 3.2Å; G204-T364 PolarHBondContact O-OG1 3.27Å
205	D	94.8	Very high	95.8	Very high	26 Å²	26	24.7 Å²	24.7	14%	0.139	12%	0.12	C	C	.	.			trans	-70.5	172.1	-175.5	-72.8	-19	0	0	0	112.5	T208 K210 T364 A366 G367 T389	D205-T208 HydrophobicContact CB-CG2 3.86Å; D205-T208 WeakPolarHBondContact O-CG2 3.17Å; D205-T208 PolarHBondContact O-OG1 3.3Å; D205-K210 PolarHBondContact O-NZ 3.04Å; D205-T364 PolarHBondContact N-OG1 2.83Å; D205-T364 VanDerWaalsContact N-OG1 3.15Å; D205-T364 WeakPolarHBondContact OD1-CB 3.45Å; D205-T364 PolarHBondContact OD1-OG1 2.97Å; D205-A366 PolarHBondContact OD1-N 3.13Å; D205-G367 VanDerWaalsContact CG-N 3.26Å; D205-G367 WeakPolarHBondContact OD1-CA 3.3Å; D205-G367 PolarHBondContact OD1-N 3.3Å; D205-G367 PolarHBondContact OD2-N 2.88Å; D205-T389 WeakPolarHBondContact CB-OG1 2.85Å; D205-T389 PolarHBondContact OD2-OG1 3.23Å
206	R	92.1	Very high	95.8	Very high	173 Å²	173	25 Å²	25	65%	0.653	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	140.7	172	-173	170.3	179.4	-164.9	-2.8	110.8	T208	R206-T208 VanDerWaalsContact C-N 3.28Å; R206-T208 PolarHBondContact O-N 2.98Å
207	Q	89.9	Confident	95.8	Very high	156 Å²	156	24.2 Å²	24.2	73%	0.729	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	22.1	175.8	-68.8	171.7	-5.5	0	0	116.6
208	T	91.5	Very high	95.9	Very high	3 Å²	3	24 Å²	24	2%	0.018	12%	0.116	C	C	.	.	S	Bend	trans	-86.6	-3.8	177.9	52.7	0	0	0	0	115.3	D205 R206 T389	D205-T208 HydrophobicContact CB-CG2 3.86Å; D205-T208 WeakPolarHBondContact O-CG2 3.17Å; D205-T208 PolarHBondContact O-OG1 3.3Å; R206-T208 VanDerWaalsContact C-N 3.28Å; R206-T208 PolarHBondContact O-N 2.98Å; T208-T389 WeakPolarHBondContact CG2-OG1 3.31Å
209	G	92.7	Very high	95.9	Very high	20 Å²	20	25 Å²	25	21%	0.206	12%	0.122	C	C	.	.	S	Bend	trans	99.8	11.4	179.2	0	0	0	0	0	116	T211 A212 I213	G209-T211 PolarHBondContact O-N 2.93Å; G209-A212 WeakPolarHBondContact O-CB 3.29Å; G209-A212 PolarHBondContact O-N 3.42Å; G209-A212 VanDerWaalsContact O-N 3.08Å; G209-I213 PolarHBondContact O-N 3.05Å; G209-I213 VanDerWaalsContact O-N 3.15Å
210	K	95.7	Very high	95.8	Very high	15 Å²	15	24 Å²	24	7%	0.065	12%	0.118	C	C	.	.	H	α-helix	trans	-49.4	-55.7	178.7	-58.9	-171.4	-61.2	-91.9	0	113.3	I202 G204 D205 A212 I213 A214 V361 L387	I202-K210 HydrophobicContact CG2-CB 3.78Å; I202-K210 HydrophobicContact CG2-CD 4.45Å; I202-K210 HydrophobicContact CG2-CG 3.92Å; G204-K210 WeakPolarHBondContact O-CD 3.28Å; G204-K210 PolarHBondContact O-NZ 3.27Å; D205-K210 PolarHBondContact O-NZ 3.04Å; K210-A212 VanDerWaalsContact C-N 3.28Å; K210-A212 PolarHBondContact O-N 2.63Å; K210-I213 PolarHBondContact O-N 2.88Å; K210-A214 PolarHBondContact O-N 3.45Å; K210-V361 HydrophobicContact CB-CG1 3.91Å; K210-V361 HydrophobicContact CD-CG1 3.69Å; K210-V361 HydrophobicContact CG-CG1 4.39Å; K210-L387 HydrophobicContact CB-CD1 4.24Å; K210-L387 HydrophobicContact CG-CD1 3.65Å
211	T	94.4	Very high	95.7	Very high	53 Å²	53	24 Å²	24	33%	0.325	12%	0.118	S	C	.	.	H	α-helix	trans	-62	-35.9	179.2	-52.4	0	0	0	0	111.9	G209 I213 A214 V215 Y238 D304	G209-T211 PolarHBondContact O-N 2.93Å; T211-I213 PolarHBondContact O-N 2.86Å; T211-A214 PolarHBondContact O-N 3.08Å; T211-V215 HydrophobicContact CG2-CG2 4.09Å; T211-V215 VanDerWaalsContact O-CG2 3.26Å; T211-V215 WeakPolarHBondContact O-CG2 3.37Å; T211-V215 PolarHBondContact O-N 3.25Å; T211-Y238 WeakPolarHBondContact CG2-OH 3.32Å; T211-D304 PolarHBondContact OG1-OD2 3.03Å
212	A	95.1	Very high	95.6	Very high	13 Å²	13	27 Å²	27	11%	0.107	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-41.7	178.9	0	0	0	0	0	111.9	G209 K210 A214 V215 D216 Q467	G209-A212 WeakPolarHBondContact O-CB 3.29Å; G209-A212 PolarHBondContact O-N 3.42Å; G209-A212 VanDerWaalsContact O-N 3.08Å; K210-A212 VanDerWaalsContact C-N 3.28Å; K210-A212 PolarHBondContact O-N 2.63Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A214 PolarHBondContact O-N 3.29Å; A212-V215 PolarHBondContact O-N 3.4Å; A212-D216 WeakPolarHBondContact O-CB 3.3Å; A212-D216 VanDerWaalsContact O-CG 3.31Å; A212-D216 PolarHBondContact O-N 2.57Å; A212-Q467 HydrophobicContact CB-CG 3.97Å
213	I	96.4	Very high	95.3	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.036	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-45.2	174.6	-67.3	179	0	0	0	110.8	I185 I202 G209 K210 T211 T217 I385 L387 P398 I400	I185-I213 HydrophobicContact CD1-CB 4.09Å; I185-I213 HydrophobicContact CD1-CG1 4.12Å; I185-I213 HydrophobicContact CD1-CG2 3.82Å; I202-I213 HydrophobicContact CD1-CB 4.48Å; I202-I213 HydrophobicContact CD1-CG2 3.95Å; G209-I213 PolarHBondContact O-N 3.05Å; G209-I213 VanDerWaalsContact O-N 3.15Å; K210-I213 PolarHBondContact O-N 2.88Å; T211-I213 PolarHBondContact O-N 2.86Å; I213-T217 WeakPolarHBondContact O-CB 3.45Å; I213-T217 PolarHBondContact O-N 3.48Å; I213-T217 PolarHBondContact O-OG1 3.43Å; I213-I385 HydrophobicContact CD1-CG2 4.42Å; I213-L387 HydrophobicContact CD1-CD1 3.85Å; I213-L387 HydrophobicContact CD1-CD2 3.66Å; I213-L387 HydrophobicContact CD1-CG 4.31Å; I213-P398 HydrophobicContact CD1-CB 4.24Å; I213-P398 HydrophobicContact CG1-CB 4.41Å; I213-I400 HydrophobicContact CD1-CD1 4.43Å; I213-I400 HydrophobicContact CD1-CG1 4.44Å
214	A	96.5	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.9	-41.9	179.9	0	0	0	0	0	112.5	I202 K210 T211 A212 T217 I218 I302	I202-A214 HydrophobicContact CD1-CB 4.41Å; K210-A214 PolarHBondContact O-N 3.45Å; T211-A214 PolarHBondContact O-N 3.08Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A214 PolarHBondContact O-N 3.29Å; A214-T217 WeakPolarHBondContact O-CB 3.49Å; A214-T217 PolarHBondContact O-N 3.47Å; A214-I218 PolarHBondContact O-N 3.23Å; A214-I218 VanDerWaalsContact O-N 3.17Å; A214-I302 HydrophobicContact CB-CD1 3.87Å; A214-I302 HydrophobicContact CB-CG1 4.11Å; A214-I302 HydrophobicContact CB-CG2 3.79Å
215	V	96.8	Very high	95	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-68.1	-44	178.5	175.7	0	0	0	0	111.8	T211 A212 T217 I218 I219 Y238 L251 L255 Y468	T211-V215 HydrophobicContact CG2-CG2 4.09Å; T211-V215 VanDerWaalsContact O-CG2 3.26Å; T211-V215 WeakPolarHBondContact O-CG2 3.37Å; T211-V215 PolarHBondContact O-N 3.25Å; A212-V215 PolarHBondContact O-N 3.4Å; V215-T217 PolarHBondContact O-N 3.05Å; V215-I218 WeakPolarHBondContact O-CB 3.23Å; V215-I218 PolarHBondContact O-N 3.03Å; V215-I218 VanDerWaalsContact O-N 3.07Å; V215-I219 HydrophobicContact CG1-CD1 3.81Å; V215-I219 HydrophobicContact CG1-CG1 4.33Å; V215-I219 WeakPolarHBondContact O-CG1 3.41Å; V215-I219 PolarHBondContact O-N 2.63Å; V215-Y238 HydrophobicContact CG2-CE2 4.46Å; V215-L251 HydrophobicContact CB-CD1 4.48Å; V215-L251 HydrophobicContact CG1-CD1 4.39Å; V215-L251 HydrophobicContact CG2-CD1 3.26Å; V215-L255 HydrophobicContact CG1-CD2 4.14Å; V215-Y468 HydrophobicContact CB-CE1 4.35Å; V215-Y468 HydrophobicContact CG1-CD1 4.16Å; V215-Y468 HydrophobicContact CG1-CE1 3.77Å
216	D	97	Very high	94.9	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-37.5	176.6	-74	-8.1	0	0	0	111.1	I185 A212 I218 I219 N220 Y468	I185-D216 HydrophobicContact CD1-CB 4.14Å; I185-D216 HydrophobicContact CG1-CB 4.35Å; A212-D216 WeakPolarHBondContact O-CB 3.3Å; A212-D216 VanDerWaalsContact O-CG 3.31Å; A212-D216 PolarHBondContact O-N 2.57Å; D216-I218 VanDerWaalsContact C-N 3.33Å; D216-I218 PolarHBondContact O-N 2.88Å; D216-I219 PolarHBondContact O-N 3.41Å; D216-N220 WeakPolarHBondContact O-CB 3.4Å; D216-N220 PolarHBondContact O-N 3.33Å; D216-Y468 VanDerWaalsContact CG-N 3.3Å; D216-Y468 WeakPolarHBondContact OD1-CA 3.47Å; D216-Y468 VanDerWaalsContact OD1-CD1 3.25Å; D216-Y468 WeakPolarHBondContact OD1-CD1 3.03Å; D216-Y468 PolarHBondContact OD1-N 2.85Å; D216-Y468 PolarHBondContact OD2-N 2.92Å; D216-Y468 VanDerWaalsContact OD2-N 3.09Å
217	T	97.7	Very high	94.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-42.4	173.3	-58.6	0	0	0	0	111.6	M181 T183 I213 A214 V215 Q221 L300 L359	M181-T217 HydrophobicContact CE-CG2 3.79Å; M181-T217 HydrophobicContact SD-CG2 3.67Å; T183-T217 HydrophobicContact CG2-CG2 4.08Å; I213-T217 WeakPolarHBondContact O-CB 3.45Å; I213-T217 PolarHBondContact O-N 3.48Å; I213-T217 PolarHBondContact O-OG1 3.43Å; A214-T217 WeakPolarHBondContact O-CB 3.49Å; A214-T217 PolarHBondContact O-N 3.47Å; V215-T217 PolarHBondContact O-N 3.05Å; T217-Q221 WeakPolarHBondContact O-CG 3.45Å; T217-Q221 PolarHBondContact O-NE2 3.17Å; T217-L300 HydrophobicContact CG2-CD2 3.62Å; T217-L359 HydrophobicContact CG2-CD1 4.11Å
218	I	97.9	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-52.2	175.3	-65.4	171.7	0	0	0	110.2	A214 V215 D216 N220 Q221 C236 Y238 L255 A260 Y263 T264 I302	A214-I218 PolarHBondContact O-N 3.23Å; A214-I218 VanDerWaalsContact O-N 3.17Å; V215-I218 WeakPolarHBondContact O-CB 3.23Å; V215-I218 PolarHBondContact O-N 3.03Å; V215-I218 VanDerWaalsContact O-N 3.07Å; D216-I218 VanDerWaalsContact C-N 3.33Å; D216-I218 PolarHBondContact O-N 2.88Å; I218-N220 PolarHBondContact O-N 3.15Å; I218-Q221 WeakPolarHBondContact O-CB 3.47Å; I218-Q221 PolarHBondContact O-N 2.99Å; I218-C236 HydrophobicContact CD1-CB 4.47Å; I218-C236 HydrophobicContact CG1-CB 4.05Å; I218-C236 HydrophobicContact CG2-CB 3.99Å; I218-Y238 HydrophobicContact CD1-CD2 3.95Å; I218-L255 HydrophobicContact CB-CD2 4.21Å; I218-L255 HydrophobicContact CG2-CD2 3.76Å; I218-A260 HydrophobicContact CG2-CB 4.16Å; I218-Y263 HydrophobicContact CG2-CE2 4.06Å; I218-Y263 PolarHBondContact O-OH 2.78Å; I218-T264 HydrophobicContact CD1-CG2 4.41Å; I218-T264 HydrophobicContact CG2-CG2 4.47Å; I218-T264 WeakPolarHBondContact CG2-OG1 2.95Å; I218-I302 HydrophobicContact CD1-CD1 3.59Å; I218-I302 HydrophobicContact CG1-CD1 3.64Å
219	I	97.6	Very high	94.7	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.108	19%	0.187	C	C	.	.	H	α-helix	trans	-57	-37.9	-177.7	-66.5	171	0	0	0	110.8	V215 D216 Q221 K222 L255 A258 A260 Y468 P470	V215-I219 HydrophobicContact CG1-CD1 3.81Å; V215-I219 HydrophobicContact CG1-CG1 4.33Å; V215-I219 WeakPolarHBondContact O-CG1 3.41Å; V215-I219 PolarHBondContact O-N 2.63Å; D216-I219 PolarHBondContact O-N 3.41Å; I219-Q221 PolarHBondContact O-N 2.84Å; I219-Q221 VanDerWaalsContact O-N 3.14Å; I219-K222 WeakPolarHBondContact O-CB 3.36Å; I219-K222 PolarHBondContact O-N 3.41Å; I219-L255 HydrophobicContact CG1-CD2 4.21Å; I219-A258 HydrophobicContact CD1-CB 3.89Å; I219-A258 HydrophobicContact CG1-CB 3.85Å; I219-A258 HydrophobicContact CG2-CB 4.11Å; I219-A260 HydrophobicContact CG1-CB 4.4Å; I219-Y468 HydrophobicContact CD1-CD1 3.95Å; I219-P470 HydrophobicContact CB-CG 4.39Å; I219-P470 HydrophobicContact CG2-CG 3.87Å
220	N	97.1	Very high	94.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-28.1	179.5	-169.7	52.7	0	0	0	113.4	Q182 T183 G184 D216 I218 K222 R223 P470	Q182-N220 PolarHBondContact O-ND2 3.36Å; T183-N220 VanDerWaalsContact O-CB 3.3Å; T183-N220 WeakPolarHBondContact O-CB 3.48Å; G184-N220 PolarHBondContact N-ND2 3.45Å; D216-N220 WeakPolarHBondContact O-CB 3.4Å; D216-N220 PolarHBondContact O-N 3.33Å; I218-N220 PolarHBondContact O-N 3.15Å; N220-K222 VanDerWaalsContact C-N 3.28Å; N220-K222 PolarHBondContact O-N 2.86Å; N220-R223 WeakPolarHBondContact O-CG 3.44Å; N220-R223 PolarHBondContact O-NE 3.25Å; N220-R223 PolarHBondContact OD1-NE 3.34Å; N220-R223 PolarHBondContact OD1-NH2 3.24Å; N220-P470 HydrophobicContact CB-CB 3.77Å; N220-P470 HydrophobicContact CB-CG 4.3Å
221	Q	96.7	Very high	94.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.6	-175.2	-50.6	-47.4	-42.5	0	0	113.8	Q182 T217 I218 I219 R223 F224 N225 L234 Y263	Q182-Q221 PolarHBondContact O-NE2 2.89Å; T217-Q221 WeakPolarHBondContact O-CG 3.45Å; T217-Q221 PolarHBondContact O-NE2 3.17Å; I218-Q221 WeakPolarHBondContact O-CB 3.47Å; I218-Q221 PolarHBondContact O-N 2.99Å; I219-Q221 PolarHBondContact O-N 2.84Å; I219-Q221 VanDerWaalsContact O-N 3.14Å; Q221-R223 PolarHBondContact O-N 3.36Å; Q221-R223 VanDerWaalsContact O-N 3.12Å; Q221-F224 PolarHBondContact O-N 2.72Å; Q221-N225 PolarHBondContact O-N 2.84Å; Q221-L234 HydrophobicContact CB-CB 4.42Å; Q221-L234 HydrophobicContact CG-CB 4.25Å; Q221-L234 HydrophobicContact CG-CD2 3.8Å; Q221-L234 HydrophobicContact CG-CG 4.45Å; Q221-Y263 HydrophobicContact CB-CE2 4.05Å
222	K	95.5	Very high	94.2	Very high	63 Å²	63	45.8 Å²	45.8	27%	0.274	24%	0.238	S	C	.	.	H	α-helix	trans	-48.6	-43.6	178.7	-174.9	180	-175.3	-62.9	0	112	I219 N220 F224 N225 D226 D259 Y263	I219-K222 WeakPolarHBondContact O-CB 3.36Å; I219-K222 PolarHBondContact O-N 3.41Å; N220-K222 VanDerWaalsContact C-N 3.28Å; N220-K222 PolarHBondContact O-N 2.86Å; K222-F224 PolarHBondContact O-N 2.83Å; K222-F224 VanDerWaalsContact O-N 3.15Å; K222-N225 PolarHBondContact O-N 2.69Å; K222-N225 VanDerWaalsContact O-N 3.15Å; K222-D226 WeakPolarHBondContact CG-OD2 3.47Å; K222-D226 IonicContact NZ-OD2 2.8Å; K222-D226 PolarHBondContact NZ-OD2 3.36Å; K222-D226 PolarHBondContact O-N 3.09Å; K222-D259 HydrophobicContact CD-CB 4.32Å; K222-D259 WeakPolarHBondContact CE-OD2 3.24Å; K222-D259 IonicContact NZ-OD2 2.86Å; K222-Y263 WeakPolarHBondContact CA-OH 3.41Å; K222-Y263 HydrophobicContact CB-CE1 4.22Å; K222-Y263 WeakPolarHBondContact CB-OH 3.45Å; K222-Y263 PolarHBondContact N-OH 3.24Å; K222-Y263 VanDerWaalsContact N-OH 3.13Å
223	R	92.2	Very high	94.3	Very high	88 Å²	88	46.9 Å²	46.9	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-29.9	-179.3	74.5	-172.7	69.8	-134.1	5.8	114	N220 Q221 P470	N220-R223 WeakPolarHBondContact O-CG 3.44Å; N220-R223 PolarHBondContact O-NE 3.25Å; N220-R223 PolarHBondContact OD1-NE 3.34Å; N220-R223 PolarHBondContact OD1-NH2 3.24Å; Q221-R223 PolarHBondContact O-N 3.36Å; Q221-R223 VanDerWaalsContact O-N 3.12Å; R223-P470 PolarHBondContact NH2-O 2.81Å
224	F	93.7	Very high	94.3	Very high	47 Å²	47	46.5 Å²	46.5	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-93.1	-33	179	-53.4	-64.7	0	0	0	111.4	Q182 Q221 K222 A227 K232	Q182-F224 HydrophobicContact CB-CE2 4.28Å; Q182-F224 HydrophobicContact CG-CZ 4.34Å; Q221-F224 PolarHBondContact O-N 2.72Å; K222-F224 PolarHBondContact O-N 2.83Å; K222-F224 VanDerWaalsContact O-N 3.15Å; F224-A227 WeakPolarHBondContact O-CB 3.35Å; F224-A227 PolarHBondContact O-N 3.28Å; F224-K232 HydrophobicContact CB-CB 4.42Å; F224-K232 WeakPolarHBondContact CB-O 3.49Å
225	N	94.4	Very high	94.4	Very high	19 Å²	19	47.6 Å²	47.6	10%	0.102	24%	0.243	C	C	.	.	H	α-helix	trans	-71.9	-31	178.3	-76.7	-32	0	0	0	113.5	Q221 K222 A227 K233 L234 Y263	Q221-N225 PolarHBondContact O-N 2.84Å; K222-N225 PolarHBondContact O-N 2.69Å; K222-N225 VanDerWaalsContact O-N 3.15Å; N225-A227 VanDerWaalsContact C-N 3.26Å; N225-K233 WeakPolarHBondContact O-CE 3.48Å; N225-K233 VanDerWaalsContact OD1-CA 3.29Å; N225-K233 WeakPolarHBondContact OD1-CA 3.43Å; N225-K233 VanDerWaalsContact OD1-CB 3.23Å; N225-K233 WeakPolarHBondContact OD1-CB 3.36Å; N225-L234 PolarHBondContact ND2-O 3.12Å; N225-L234 PolarHBondContact OD1-N 3.46Å; N225-L234 PolarHBondContact OD1-O 2.83Å; N225-Y263 HydrophobicContact CB-CD1 3.93Å; N225-Y263 HydrophobicContact CB-CE1 4.25Å; N225-Y263 HydrophobicContact CB-CG 4.35Å; N225-Y263 WeakPolarHBondContact ND2-CD1 3.3Å; N225-Y263 WeakPolarHBondContact ND2-CD2 3.32Å
226	D	92.5	Very high	94.4	Very high	99 Å²	99	47.4 Å²	47.4	53%	0.529	24%	0.242	S	C	.	.	S	Bend	trans	-75.2	-16.6	172.9	-67.6	-14.6	0	0	0	112.6	K222	K222-D226 WeakPolarHBondContact CG-OD2 3.47Å; K222-D226 IonicContact NZ-OD2 2.8Å; K222-D226 PolarHBondContact NZ-OD2 3.36Å; K222-D226 PolarHBondContact O-N 3.09Å
227	A	90.4	Very high	94.5	Very high	42 Å²	42	47 Å²	47	35%	0.347	24%	0.24	S	C	.	.	S	Bend	trans	-79.6	159.6	178.5	0	0	0	0	0	111.9	F224 N225 D229 K233	F224-A227 WeakPolarHBondContact O-CB 3.35Å; F224-A227 PolarHBondContact O-N 3.28Å; N225-A227 VanDerWaalsContact C-N 3.26Å; A227-D229 VanDerWaalsContact C-N 3.31Å; A227-D229 PolarHBondContact O-N 2.89Å; A227-K233 WeakPolarHBondContact O-CE 3.42Å
228	A	88.1	Confident	94.6	Very high	103 Å²	103	47.3 Å²	47.3	85%	0.851	24%	0.241	S	C	*	.	S	Bend	trans	-73.2	-18.9	-178.9	0	0	0	0	0	114.2	E230	A228-E230 PolarHBondContact O-N 3.42Å
229	D	90.5	Very high	94.6	Very high	64 Å²	64	47.3 Å²	47.3	34%	0.342	24%	0.241	S	C	.	.			trans	-80.5	99.2	-173.2	-174.7	-2.7	0	0	0	112	A227 K231 K232 K233	A227-D229 VanDerWaalsContact C-N 3.31Å; A227-D229 PolarHBondContact O-N 2.89Å; D229-K231 PolarHBondContact O-N 3.06Å; D229-K231 WeakPolarHBondContact OD1-CB 3.48Å; D229-K231 PolarHBondContact OD1-N 3.45Å; D229-K232 HydrophobicContact CB-CB 4.36Å; D229-K232 HydrophobicContact CB-CD 4.29Å; D229-K232 HydrophobicContact CB-CG 4.4Å; D229-K232 PolarHBondContact O-N 2.93Å; D229-K232 VanDerWaalsContact OD2-CD 3.23Å; D229-K232 WeakPolarHBondContact OD2-CD 3.49Å; D229-K232 WeakPolarHBondContact OD2-CE 3.39Å; D229-K232 WeakPolarHBondContact OD2-CG 3.38Å; D229-K232 IonicContact OD2-NZ 3.39Å; D229-K233 PolarHBondContact O-N 3.32Å
230	E	89.5	Confident	94.6	Very high	99 Å²	99	46.3 Å²	46.3	46%	0.463	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-55.1	-32.8	177.8	-73.4	-63.4	141.1	0	0	113.5	A228 K232 K233	A228-E230 PolarHBondContact O-N 3.42Å; E230-K232 PolarHBondContact O-N 3.23Å; E230-K233 PolarHBondContact O-N 2.92Å; E230-K233 WeakPolarHBondContact OE1-CE 3.45Å; E230-K233 IonicContact OE1-NZ 3.64Å; E230-K233 PolarHBondContact OE1-NZ 3.17Å
231	K	91	Very high	94.7	Very high	168 Å²	168	46.2 Å²	46.2	73%	0.73	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-68.9	-24.2	179.6	-65.8	-173.9	176.5	-175.3	0	112.1	R196 D229 H298	R196-K231 PolarHBondContact NH1-O 3.06Å; D229-K231 PolarHBondContact O-N 3.06Å; D229-K231 WeakPolarHBondContact OD1-CB 3.48Å; D229-K231 PolarHBondContact OD1-N 3.45Å; K231-H298 PolarHBondContact O-CD2 3.05Å; K231-H298 PolarHBondContact O-NE2 3.11Å
232	K	92.3	Very high	94.6	Very high	112 Å²	112	46.7 Å²	46.7	49%	0.487	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-89.1	-16.6	178.8	-70.6	179.9	-174.3	172.7	0	113.1	R196 F224 D229 E230	R196-K232 PolarHBondContact NH2-O 2.84Å; F224-K232 HydrophobicContact CB-CB 4.42Å; F224-K232 WeakPolarHBondContact CB-O 3.49Å; D229-K232 HydrophobicContact CB-CB 4.36Å; D229-K232 HydrophobicContact CB-CD 4.29Å; D229-K232 HydrophobicContact CB-CG 4.4Å; D229-K232 PolarHBondContact O-N 2.93Å; D229-K232 VanDerWaalsContact OD2-CD 3.23Å; D229-K232 WeakPolarHBondContact OD2-CD 3.49Å; D229-K232 WeakPolarHBondContact OD2-CE 3.39Å; D229-K232 WeakPolarHBondContact OD2-CG 3.38Å; D229-K232 IonicContact OD2-NZ 3.39Å; E230-K232 PolarHBondContact O-N 3.23Å
233	K	95.7	Very high	94.6	Very high	36 Å²	36	45.2 Å²	45.2	16%	0.157	24%	0.235	C	C	.	.			trans	-61.8	149.6	178.4	-63.5	-164.7	179.9	172.8	0	111.8	N225 A227 D229 E230	N225-K233 WeakPolarHBondContact O-CE 3.48Å; N225-K233 VanDerWaalsContact OD1-CA 3.29Å; N225-K233 WeakPolarHBondContact OD1-CA 3.43Å; N225-K233 VanDerWaalsContact OD1-CB 3.23Å; N225-K233 WeakPolarHBondContact OD1-CB 3.36Å; A227-K233 WeakPolarHBondContact O-CE 3.42Å; D229-K233 PolarHBondContact O-N 3.32Å; E230-K233 PolarHBondContact O-N 2.92Å; E230-K233 WeakPolarHBondContact OE1-CE 3.45Å; E230-K233 IonicContact OE1-NZ 3.64Å; E230-K233 PolarHBondContact OE1-NZ 3.17Å
234	L	97.2	Very high	94.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.			trans	-139.2	116.7	179.1	-167.4	67.6	0	0	0	109.7	M181 Q221 N225 H298 L300	M181-L234 HydrophobicContact CG-CD2 3.81Å; M181-L234 HydrophobicContact SD-CD2 4.26Å; Q221-L234 HydrophobicContact CB-CB 4.42Å; Q221-L234 HydrophobicContact CG-CB 4.25Å; Q221-L234 HydrophobicContact CG-CD2 3.8Å; Q221-L234 HydrophobicContact CG-CG 4.45Å; N225-L234 PolarHBondContact ND2-O 3.12Å; N225-L234 PolarHBondContact OD1-N 3.46Å; N225-L234 PolarHBondContact OD1-O 2.83Å; L234-H298 HydrophobicContact CD1-CB 3.6Å; L234-L300 HydrophobicContact CD1-CB 4.42Å; L234-L300 HydrophobicContact CD2-CB 3.9Å; L234-L300 HydrophobicContact CD2-CD2 4.37Å; L234-L300 HydrophobicContact CG-CB 4.1Å
235	Y	97.9	Very high	94.8	Very high	23 Å²	23	53.1 Å²	53.1	9%	0.09	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.5	177.6	-59.1	-82.4	0	0	0	109.7	L139 F292 K297 H298 A299 L300	L139-Y235 HydrophobicContact CD1-CD1 3.69Å; L139-Y235 HydrophobicContact CD1-CE1 3.7Å; L139-Y235 HydrophobicContact CD2-CD1 3.84Å; L139-Y235 HydrophobicContact CG-CD1 4.45Å; Y235-F292 HydrophobicContact CD1-CD1 4.39Å; Y235-F292 HydrophobicContact CD1-CE1 4.03Å; Y235-F292 AromaticContact CD2-CD1 3.7Å; Y235-F292 HydrophobicContact CD2-CD1 3.7Å; Y235-F292 HydrophobicContact CD2-CE1 4.17Å; Y235-F292 HydrophobicContact CD2-CG 4.31Å; Y235-F292 HydrophobicContact CE1-CE1 4.48Å; Y235-F292 HydrophobicContact CE2-CD1 4.23Å; Y235-F292 AromaticContact CG-CD1 3.77Å; Y235-F292 HydrophobicContact CG-CD1 3.77Å; Y235-F292 AromaticContact CG-CE1 3.82Å; Y235-F292 HydrophobicContact CG-CE1 3.82Å; Y235-F292 HydrophobicContact CG-CG 4.37Å; Y235-F292 HydrophobicContact CG-CZ 4.47Å; Y235-K297 HydrophobicContact CD2-CB 4.17Å; Y235-K297 HydrophobicContact CD2-CD 4.29Å; Y235-K297 HydrophobicContact CE2-CB 3.98Å; Y235-K297 HydrophobicContact CE2-CD 3.58Å; Y235-K297 HydrophobicContact CE2-CG 4.06Å; Y235-K297 PolarHBondContact OH-NZ 3.08Å; Y235-K297 VanDerWaalsContact OH-NZ 3.14Å; Y235-H298 WeakPolarHBondContact CD2-O 3.37Å; Y235-H298 PolarHBondContact N-O 3.24Å; Y235-A299 CarbonylContact O-C 3.52Å; Y235-A299 WeakPolarHBondContact O-CA 3.33Å; Y235-L300 PolarHBondContact O-N 2.81Å
236	C	98.5	Very high	94.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.7	-171.8	-64.4	0	0	0	0	111.2	I218 Y263 T264 I265 L300	I218-C236 HydrophobicContact CD1-CB 4.47Å; I218-C236 HydrophobicContact CG1-CB 4.05Å; I218-C236 HydrophobicContact CG2-CB 3.99Å; C236-Y263 HydrophobicContact CB-CD2 4.37Å; C236-Y263 PolarHBondContact N-O 3.39Å; C236-T264 HydrophobicContact CB-CG2 4.08Å; C236-T264 CarbonylContact O-C 3.54Å; C236-T264 VanDerWaalsContact O-CA 3.23Å; C236-T264 WeakPolarHBondContact O-CA 3.35Å; C236-I265 PolarHBondContact O-N 3.33Å; C236-L300 CarbonylContact C-O 3.46Å; C236-L300 WeakPolarHBondContact CA-O 3.3Å
237	I	98.6	Very high	95	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.7	176.1	-57	170.5	0	0	0	107.4	V239 I265 V267 M288 L300 I301 I302	I237-V239 HydrophobicContact CG2-CG2 4.15Å; I237-I265 CarbonylContact C-O 3Å; I237-I265 WeakPolarHBondContact CA-O 3.37Å; I237-I265 HydrophobicContact CG1-CB 4.31Å; I237-I265 HydrophobicContact CG1-CD1 4.3Å; I237-I265 HydrophobicContact CG1-CG1 4.49Å; I237-V267 HydrophobicContact CG2-CG2 4.3Å; I237-M288 HydrophobicContact CD1-CB 4.19Å; I237-L300 PolarHBondContact N-O 3.43Å; I237-I301 HydrophobicContact CB-CB 4.35Å; I237-I301 HydrophobicContact CB-CD1 4.4Å; I237-I301 HydrophobicContact CB-CG1 4.12Å; I237-I301 HydrophobicContact CG2-CD1 4.09Å; I237-I301 HydrophobicContact CG2-CG1 4.15Å; I237-I301 CarbonylContact O-C 3.51Å; I237-I301 WeakPolarHBondContact O-CA 3.25Å; I237-I302 PolarHBondContact O-N 3.04Å
238	Y	98.5	Very high	95.2	Very high	6 Å²	6	52.3 Å²	52.3	2%	0.024	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.5	176	-167.3	-77.5	0	0	0	109.7	T211 V215 I218 A240 L251 I265 I266 V267 I302 D304	T211-Y238 WeakPolarHBondContact CG2-OH 3.32Å; V215-Y238 HydrophobicContact CG2-CE2 4.46Å; I218-Y238 HydrophobicContact CD1-CD2 3.95Å; Y238-A240 HydrophobicContact CD1-CB 4.29Å; Y238-A240 HydrophobicContact CE1-CB 4.06Å; Y238-L251 HydrophobicContact CD1-CD2 3.45Å; Y238-L251 VanDerWaalsContact CD1-CD2 3.45Å; Y238-L251 HydrophobicContact CD2-CD2 3.99Å; Y238-L251 HydrophobicContact CE1-CD2 3.29Å; Y238-L251 HydrophobicContact CE2-CD1 4.4Å; Y238-L251 HydrophobicContact CE2-CD2 3.8Å; Y238-L251 HydrophobicContact CG-CD2 3.79Å; Y238-L251 VanDerWaalsContact CZ-CD2 3.45Å; Y238-I265 PolarHBondContact N-O 3.23Å; Y238-I266 CarbonylContact O-C 3.3Å; Y238-I266 WeakPolarHBondContact O-CA 3.05Å; Y238-V267 PolarHBondContact O-N 3.42Å; Y238-I302 HydrophobicContact CD2-CB 4.17Å; Y238-I302 HydrophobicContact CD2-CD1 4.32Å; Y238-I302 HydrophobicContact CD2-CG2 3.92Å; Y238-I302 HydrophobicContact CE2-CG2 3.87Å; Y238-D304 HydrophobicContact CE1-CB 4.04Å; Y238-D304 PolarHBondContact OH-OD2 2.9Å
239	V	98.6	Very high	95.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	104.9	178.2	-169.6	0	0	0	0	109.2	I237 I241 V267 A281 P282 I301 I302 Y303 D304	I237-V239 HydrophobicContact CG2-CG2 4.15Å; V239-I241 HydrophobicContact CG1-CD1 4.26Å; V239-I241 HydrophobicContact CG1-CG1 3.83Å; V239-V267 CarbonylContact C-O 3.59Å; V239-V267 WeakPolarHBondContact CA-O 3.47Å; V239-V267 HydrophobicContact CG1-CB 4.26Å; V239-V267 HydrophobicContact CG1-CG1 4.36Å; V239-V267 HydrophobicContact CG2-CB 4.3Å; V239-A281 HydrophobicContact CG1-CB 3.98Å; V239-P282 HydrophobicContact CG1-CG 4.4Å; V239-I301 HydrophobicContact CG2-CD1 3.98Å; V239-I301 HydrophobicContact CG2-CG1 4.06Å; V239-I302 WeakPolarHBondContact CB-O 3.25Å; V239-I302 PolarHBondContact N-O 3.17Å; V239-Y303 HydrophobicContact CB-CD1 4.13Å; V239-Y303 HydrophobicContact CG2-CD1 3.99Å; V239-Y303 HydrophobicContact CG2-CE1 4.28Å; V239-D304 PolarHBondContact O-N 3.43Å
240	A	98.1	Very high	95.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.5	174.4	0	0	0	0	0	110.2	Y238 Q243 V248 V267 A269	Y238-A240 HydrophobicContact CD1-CB 4.29Å; Y238-A240 HydrophobicContact CE1-CB 4.06Å; A240-Q243 HydrophobicContact CB-CB 4.28Å; A240-Q243 HydrophobicContact CB-CG 4.08Å; A240-V248 HydrophobicContact CB-CG2 3.75Å; A240-V267 PolarHBondContact N-O 3.1Å; A240-A269 PolarHBondContact O-N 3.15Å
241	I	98.1	Very high	96.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.6	-174	-49.9	152.3	0	0	0	108.3	V239 Q243 A269 Q278 P282 D304 D305 L306 K308 Q309	V239-I241 HydrophobicContact CG1-CD1 4.26Å; V239-I241 HydrophobicContact CG1-CG1 3.83Å; I241-Q243 PolarHBondContact O-N 2.77Å; I241-A269 CarbonylContact C-O 3.51Å; I241-Q278 HydrophobicContact CG2-CB 4.25Å; I241-P282 HydrophobicContact CD1-CG 3.5Å; I241-P282 VanDerWaalsContact CD1-CG 3.5Å; I241-P282 HydrophobicContact CG1-CG 3.99Å; I241-D304 PolarHBondContact N-O 3.36Å; I241-D305 WeakPolarHBondContact CD1-O 3.41Å; I241-L306 HydrophobicContact CD1-CD2 4.11Å; I241-K308 HydrophobicContact CG2-CB 4.17Å; I241-K308 WeakPolarHBondContact O-CD 3.4Å; I241-Q309 HydrophobicContact CG2-CB 4.27Å
242	G	95.9	Very high	96.4	Very high	12 Å²	12	43.1 Å²	43.1	12%	0.124	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.1	18.6	-179.4	0	0	0	0	0	114.1	A269	G242-A269 PolarHBondContact N-O 2.88Å
243	Q	95.5	Very high	96.6	Very high	32 Å²	32	44.2 Å²	44.2	15%	0.15	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	157.9	176.3	-61.8	-64.5	-17.1	0	0	110.7	A240 I241 V248 T270 A271 D304	A240-Q243 HydrophobicContact CB-CB 4.28Å; A240-Q243 HydrophobicContact CB-CG 4.08Å; I241-Q243 PolarHBondContact O-N 2.77Å; Q243-V248 HydrophobicContact CB-CG2 3.97Å; Q243-T270 VanDerWaalsContact O-CA 3.26Å; Q243-T270 WeakPolarHBondContact O-CA 3.47Å; Q243-T270 VanDerWaalsContact O-CB 3.25Å; Q243-T270 WeakPolarHBondContact O-CB 3.02Å; Q243-A271 PolarHBondContact O-N 2.82Å; Q243-D304 WeakPolarHBondContact CG-O 3.43Å; Q243-D304 PolarHBondContact NE2-O 2.98Å; Q243-D304 PolarHBondContact NE2-OD1 3.45Å
244	K	95.2	Very high	96.6	Very high	140 Å²	140	48.7 Å²	48.7	61%	0.609	24%	0.239	S	C	*	.			trans	-73.1	141.8	172.9	-63.7	-176.6	-179.1	-174.3	0	109.9	S246 T247 V248	K244-S246 PolarHBondContact O-N 3.49Å; K244-T247 WeakPolarHBondContact O-CB 3.42Å; K244-T247 PolarHBondContact O-N 3.37Å; K244-V248 PolarHBondContact O-N 2.9Å; K244-V248 VanDerWaalsContact O-N 3.13Å
245	R	94.6	Very high	96.6	Very high	161 Å²	161	48.7 Å²	48.7	61%	0.608	24%	0.239	S	C	*	.	H	α-helix	trans	-52.9	-40	176.6	-71.4	179.1	-177.2	-172.2	-3.2	112.8	T247 V248 A249 T270 S272 D273	R245-T247 PolarHBondContact O-N 2.92Å; R245-V248 PolarHBondContact O-N 2.94Å; R245-A249 WeakPolarHBondContact O-CB 2.99Å; R245-A249 PolarHBondContact O-N 3.34Å; R245-T270 HydrophobicContact CG-CG2 3.76Å; R245-S272 PolarHBondContact NE-OG 2.87Å; R245-S272 VanDerWaalsContact NE-OG 3.1Å; R245-S272 PolarHBondContact NH2-OG 3.3Å; R245-D273 IonicContact NH2-OD1 2.87Å
246	S	95.5	Very high	96.5	Very high	72 Å²	72	51 Å²	51	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-37.5	177.5	54.5	0	0	0	0	113.2	K244 A249 Q250	K244-S246 PolarHBondContact O-N 3.49Å; S246-A249 PolarHBondContact O-N 3.28Å; S246-Q250 VanDerWaalsContact O-CG 3.31Å; S246-Q250 WeakPolarHBondContact O-CG 3.43Å; S246-Q250 PolarHBondContact O-N 3.32Å
247	T	94.8	Very high	96.4	Very high	60 Å²	60	55.9 Å²	55.9	37%	0.368	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-42.9	176.3	-55.7	0	0	0	0	111	K244 R245 Q250 L251	K244-T247 WeakPolarHBondContact O-CB 3.42Å; K244-T247 PolarHBondContact O-N 3.37Å; R245-T247 PolarHBondContact O-N 2.92Å; T247-Q250 PolarHBondContact O-N 3.5Å; T247-L251 PolarHBondContact O-N 3.31Å
248	V	95.4	Very high	96.2	Very high	11 Å²	11	57.3 Å²	57.3	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-44.1	174.9	-178.7	0	0	0	0	110.8	A240 Q243 K244 R245 Q250 L251 V252 I266 T270	A240-V248 HydrophobicContact CB-CG2 3.75Å; Q243-V248 HydrophobicContact CB-CG2 3.97Å; K244-V248 PolarHBondContact O-N 2.9Å; K244-V248 VanDerWaalsContact O-N 3.13Å; R245-V248 PolarHBondContact O-N 2.94Å; V248-Q250 VanDerWaalsContact C-N 3.34Å; V248-Q250 PolarHBondContact O-N 3.18Å; V248-L251 WeakPolarHBondContact O-CB 3.29Å; V248-L251 PolarHBondContact O-N 2.92Å; V248-L251 VanDerWaalsContact O-N 3.13Å; V248-V252 HydrophobicContact CG1-CG2 4.46Å; V248-V252 WeakPolarHBondContact O-CG2 3.3Å; V248-V252 PolarHBondContact O-N 3.2Å; V248-I266 HydrophobicContact CG1-CG2 4.28Å; V248-T270 HydrophobicContact CG2-CG2 4.43Å
249	A	96.1	Very high	96.1	Very high	60 Å²	60	59.4 Å²	59.4	50%	0.496	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-40.1	177	0	0	0	0	0	112.6	R245 S246 L251 V252 K253	R245-A249 WeakPolarHBondContact O-CB 2.99Å; R245-A249 PolarHBondContact O-N 3.34Å; S246-A249 PolarHBondContact O-N 3.28Å; A249-L251 VanDerWaalsContact C-N 3.35Å; A249-V252 PolarHBondContact O-N 2.94Å; A249-K253 PolarHBondContact O-N 2.72Å
250	Q	96	Very high	96	Very high	128 Å²	128	59.4 Å²	59.4	60%	0.598	31%	0.305	S	S	*	.	H	α-helix	trans	-62.4	-42.6	173.1	-74.8	174.7	-0.2	0	0	111.5	S246 T247 V248 K253 R254	S246-Q250 VanDerWaalsContact O-CG 3.31Å; S246-Q250 WeakPolarHBondContact O-CG 3.43Å; S246-Q250 PolarHBondContact O-N 3.32Å; T247-Q250 PolarHBondContact O-N 3.5Å; V248-Q250 VanDerWaalsContact C-N 3.34Å; V248-Q250 PolarHBondContact O-N 3.18Å; Q250-K253 PolarHBondContact O-N 2.94Å; Q250-R254 VanDerWaalsContact O-CG 3.27Å; Q250-R254 WeakPolarHBondContact O-CG 3.49Å; Q250-R254 PolarHBondContact O-N 2.82Å
251	L	96	Very high	95.9	Very high	16 Å²	16	60.5 Å²	60.5	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-48.8	175.9	174	69.2	0	0	0	111.9	V215 Y238 T247 V248 A249 K253 R254 L255	V215-L251 HydrophobicContact CB-CD1 4.48Å; V215-L251 HydrophobicContact CG1-CD1 4.39Å; V215-L251 HydrophobicContact CG2-CD1 3.26Å; Y238-L251 HydrophobicContact CD1-CD2 3.45Å; Y238-L251 VanDerWaalsContact CD1-CD2 3.45Å; Y238-L251 HydrophobicContact CD2-CD2 3.99Å; Y238-L251 HydrophobicContact CE1-CD2 3.29Å; Y238-L251 HydrophobicContact CE2-CD1 4.4Å; Y238-L251 HydrophobicContact CE2-CD2 3.8Å; Y238-L251 HydrophobicContact CG-CD2 3.79Å; Y238-L251 VanDerWaalsContact CZ-CD2 3.45Å; T247-L251 PolarHBondContact O-N 3.31Å; V248-L251 WeakPolarHBondContact O-CB 3.29Å; V248-L251 PolarHBondContact O-N 2.92Å; V248-L251 VanDerWaalsContact O-N 3.13Å; A249-L251 VanDerWaalsContact C-N 3.35Å; L251-K253 VanDerWaalsContact C-N 3.29Å; L251-K253 PolarHBondContact O-N 3.16Å; L251-R254 PolarHBondContact O-N 3.17Å; L251-R254 VanDerWaalsContact O-N 3.15Å; L251-L255 HydrophobicContact CD1-CD1 4.12Å; L251-L255 HydrophobicContact CD1-CG 4.27Å; L251-L255 HydrophobicContact CG-CD1 4.15Å; L251-L255 WeakPolarHBondContact O-CG 3.32Å; L251-L255 PolarHBondContact O-N 3.27Å
252	V	96.3	Very high	95.8	Very high	36 Å²	36	66.7 Å²	66.7	22%	0.218	34%	0.337	C	S	.	.	H	α-helix	trans	-54.4	-50	176.1	177	0	0	0	0	109.5	V142 V248 A249 R254 L255 T256 I266	V142-V252 HydrophobicContact CG2-CG1 4.47Å; V142-V252 HydrophobicContact CG2-CG2 3.84Å; V248-V252 HydrophobicContact CG1-CG2 4.46Å; V248-V252 WeakPolarHBondContact O-CG2 3.3Å; V248-V252 PolarHBondContact O-N 3.2Å; A249-V252 PolarHBondContact O-N 2.94Å; V252-R254 PolarHBondContact O-N 3.1Å; V252-L255 PolarHBondContact O-N 3.25Å; V252-T256 PolarHBondContact O-N 2.79Å; V252-T256 PolarHBondContact O-OG1 3.22Å; V252-I266 HydrophobicContact CB-CD1 4.35Å; V252-I266 HydrophobicContact CG2-CD1 3.58Å
253	K	96.5	Very high	95.9	Very high	136 Å²	136	66.6 Å²	66.6	59%	0.591	33%	0.334	S	S	*	.	H	α-helix	trans	-56.7	-47.2	177.7	-177.5	177.7	178	178.7	0	112	A249 Q250 L251 L255 T256 D257	A249-K253 PolarHBondContact O-N 2.72Å; Q250-K253 PolarHBondContact O-N 2.94Å; L251-K253 VanDerWaalsContact C-N 3.29Å; L251-K253 PolarHBondContact O-N 3.16Å; K253-L255 PolarHBondContact O-N 3.25Å; K253-T256 PolarHBondContact O-N 3Å; K253-D257 WeakPolarHBondContact O-CB 3.39Å; K253-D257 PolarHBondContact O-N 3.44Å
254	R	95.5	Very high	96	Very high	130 Å²	130	65.1 Å²	65.1	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-42.5	179.3	-68.5	-63.2	-177.7	-172.9	2.3	112.6	Q250 L251 V252 T256 D257 A258	Q250-R254 VanDerWaalsContact O-CG 3.27Å; Q250-R254 WeakPolarHBondContact O-CG 3.49Å; Q250-R254 PolarHBondContact O-N 2.82Å; L251-R254 PolarHBondContact O-N 3.17Å; L251-R254 VanDerWaalsContact O-N 3.15Å; V252-R254 PolarHBondContact O-N 3.1Å; R254-T256 VanDerWaalsContact C-N 3.34Å; R254-D257 PolarHBondContact O-N 2.95Å; R254-A258 WeakPolarHBondContact O-CB 3.48Å; R254-A258 PolarHBondContact O-N 3.19Å
255	L	96.8	Very high	96.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-33.4	177.4	-68.8	174.8	0	0	0	112	V215 I218 I219 L251 V252 K253 D259 A260 I261 T264 I266	V215-L255 HydrophobicContact CG1-CD2 4.14Å; I218-L255 HydrophobicContact CB-CD2 4.21Å; I218-L255 HydrophobicContact CG2-CD2 3.76Å; I219-L255 HydrophobicContact CG1-CD2 4.21Å; L251-L255 HydrophobicContact CD1-CD1 4.12Å; L251-L255 HydrophobicContact CD1-CG 4.27Å; L251-L255 HydrophobicContact CG-CD1 4.15Å; L251-L255 WeakPolarHBondContact O-CG 3.32Å; L251-L255 PolarHBondContact O-N 3.27Å; V252-L255 PolarHBondContact O-N 3.25Å; K253-L255 PolarHBondContact O-N 3.25Å; L255-D259 PolarHBondContact O-N 2.89Å; L255-A260 HydrophobicContact CB-CB 4.49Å; L255-A260 HydrophobicContact CD2-CB 4Å; L255-A260 PolarHBondContact O-N 2.92Å; L255-I261 HydrophobicContact CB-CD1 4.42Å; L255-I261 PolarHBondContact O-N 3.39Å; L255-T264 HydrophobicContact CD1-CG2 4.17Å; L255-I266 HydrophobicContact CD1-CD1 4.09Å
256	T	96.3	Very high	96.3	Very high	70 Å²	70	50.8 Å²	50.8	43%	0.429	27%	0.268	S	S	.	.	H	α-helix	trans	-68.8	-46.7	172.9	-59.2	0	0	0	0	111.6	V252 K253 R254 A258 D259 I261	V252-T256 PolarHBondContact O-N 2.79Å; V252-T256 PolarHBondContact O-OG1 3.22Å; K253-T256 PolarHBondContact O-N 3Å; R254-T256 VanDerWaalsContact C-N 3.34Å; T256-A258 PolarHBondContact O-N 3.4Å; T256-D259 WeakPolarHBondContact O-CA 3.44Å; T256-D259 PolarHBondContact O-N 3.04Å; T256-I261 HydrophobicContact CG2-CG2 4.5Å
257	D	96.1	Very high	96.5	Very high	104 Å²	104	47.3 Å²	47.3	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-60.5	-32.9	177.9	-66.2	-15.1	0	0	0	111.5	K253 R254 D259	K253-D257 WeakPolarHBondContact O-CB 3.39Å; K253-D257 PolarHBondContact O-N 3.44Å; R254-D257 PolarHBondContact O-N 2.95Å; D257-D259 VanDerWaalsContact C-N 3.34Å
258	A	94.9	Very high	96.6	Very high	30 Å²	30	44.7 Å²	44.7	25%	0.248	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.2	175.4	0	0	0	0	0	114.2	I219 R254 T256 A260	I219-A258 HydrophobicContact CD1-CB 3.89Å; I219-A258 HydrophobicContact CG1-CB 3.85Å; I219-A258 HydrophobicContact CG2-CB 4.11Å; R254-A258 WeakPolarHBondContact O-CB 3.48Å; R254-A258 PolarHBondContact O-N 3.19Å; T256-A258 PolarHBondContact O-N 3.4Å; A258-A260 PolarHBondContact O-N 3.39Å
259	D	95.7	Very high	96.7	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.262	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	29.1	-177.8	-163.8	39	0	0	0	114.3	K222 L255 T256 D257 K262	K222-D259 HydrophobicContact CD-CB 4.32Å; K222-D259 WeakPolarHBondContact CE-OD2 3.24Å; K222-D259 IonicContact NZ-OD2 2.86Å; L255-D259 PolarHBondContact O-N 2.89Å; T256-D259 WeakPolarHBondContact O-CA 3.44Å; T256-D259 PolarHBondContact O-N 3.04Å; D257-D259 VanDerWaalsContact C-N 3.34Å; D259-K262 VanDerWaalsContact OD1-CD 3.31Å; D259-K262 WeakPolarHBondContact OD1-CD 3.33Å; D259-K262 WeakPolarHBondContact OD1-CE 3.49Å; D259-K262 IonicContact OD1-NZ 3.63Å; D259-K262 PolarHBondContact OD1-NZ 2.89Å; D259-K262 IonicContact OD2-NZ 2.77Å; D259-K262 PolarHBondContact OD2-NZ 3.24Å
260	A	96.7	Very high	96.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.			trans	-94.6	-15.2	179.5	0	0	0	0	0	113.3	I218 I219 L255 A258 K262 Y263 T264	I218-A260 HydrophobicContact CG2-CB 4.16Å; I219-A260 HydrophobicContact CG1-CB 4.4Å; L255-A260 HydrophobicContact CB-CB 4.49Å; L255-A260 HydrophobicContact CD2-CB 4Å; L255-A260 PolarHBondContact O-N 2.92Å; A258-A260 PolarHBondContact O-N 3.39Å; A260-K262 PolarHBondContact O-N 3.03Å; A260-Y263 WeakPolarHBondContact CA-OH 3.42Å; A260-Y263 HydrophobicContact CB-CE1 4.25Å; A260-Y263 HydrophobicContact CB-CE2 4.31Å; A260-Y263 WeakPolarHBondContact CB-OH 3.24Å; A260-Y263 PolarHBondContact O-N 3.3Å; A260-T264 PolarHBondContact O-OG1 2.57Å
261	I	96.4	Very high	96.6	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.118	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-62	-32.3	-177.4	-162.1	59.4	0	0	0	112.1	G140 L255 T256 Y263 T264 I266	G140-I261 WeakPolarHBondContact CA-O 3.4Å; G140-I261 PolarHBondContact N-O 3.33Å; L255-I261 HydrophobicContact CB-CD1 4.42Å; L255-I261 PolarHBondContact O-N 3.39Å; T256-I261 HydrophobicContact CG2-CG2 4.5Å; I261-Y263 PolarHBondContact O-N 3.25Å; I261-T264 PolarHBondContact O-N 3.44Å; I261-T264 VanDerWaalsContact O-O 3.14Å; I261-I266 HydrophobicContact CD1-CD1 3.83Å
262	K	96	Very high	96.4	Very high	130 Å²	130	41.5 Å²	41.5	57%	0.565	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-55.5	-26.6	-177.3	-66.9	171.5	174.2	161.3	0	115.2	D259 A260	D259-K262 VanDerWaalsContact OD1-CD 3.31Å; D259-K262 WeakPolarHBondContact OD1-CD 3.33Å; D259-K262 WeakPolarHBondContact OD1-CE 3.49Å; D259-K262 IonicContact OD1-NZ 3.63Å; D259-K262 PolarHBondContact OD1-NZ 2.89Å; D259-K262 IonicContact OD2-NZ 2.77Å; D259-K262 PolarHBondContact OD2-NZ 3.24Å; A260-K262 PolarHBondContact O-N 3.03Å
263	Y	97.2	Very high	96.2	Very high	11 Å²	11	41.7 Å²	41.7	4%	0.043	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-120	14.4	179.5	55.9	-98	0	0	0	112.2	I218 Q221 K222 N225 C236 A260 I261	I218-Y263 HydrophobicContact CG2-CE2 4.06Å; I218-Y263 PolarHBondContact O-OH 2.78Å; Q221-Y263 HydrophobicContact CB-CE2 4.05Å; K222-Y263 WeakPolarHBondContact CA-OH 3.41Å; K222-Y263 HydrophobicContact CB-CE1 4.22Å; K222-Y263 WeakPolarHBondContact CB-OH 3.45Å; K222-Y263 PolarHBondContact N-OH 3.24Å; K222-Y263 VanDerWaalsContact N-OH 3.13Å; N225-Y263 HydrophobicContact CB-CD1 3.93Å; N225-Y263 HydrophobicContact CB-CE1 4.25Å; N225-Y263 HydrophobicContact CB-CG 4.35Å; N225-Y263 WeakPolarHBondContact ND2-CD1 3.3Å; N225-Y263 WeakPolarHBondContact ND2-CD2 3.32Å; C236-Y263 HydrophobicContact CB-CD2 4.37Å; C236-Y263 PolarHBondContact N-O 3.39Å; A260-Y263 WeakPolarHBondContact CA-OH 3.42Å; A260-Y263 HydrophobicContact CB-CE1 4.25Å; A260-Y263 HydrophobicContact CB-CE2 4.31Å; A260-Y263 WeakPolarHBondContact CB-OH 3.24Å; A260-Y263 PolarHBondContact O-N 3.3Å; I261-Y263 PolarHBondContact O-N 3.25Å
264	T	98.3	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.9	-177	-55.1	0	0	0	0	111	G140 I218 C236 L255 A260 I261 I266	G140-T264 WeakPolarHBondContact CA-O 3.47Å; G140-T264 PolarHBondContact N-O 3.17Å; I218-T264 HydrophobicContact CD1-CG2 4.41Å; I218-T264 HydrophobicContact CG2-CG2 4.47Å; I218-T264 WeakPolarHBondContact CG2-OG1 2.95Å; C236-T264 HydrophobicContact CB-CG2 4.08Å; C236-T264 CarbonylContact O-C 3.54Å; C236-T264 VanDerWaalsContact O-CA 3.23Å; C236-T264 WeakPolarHBondContact O-CA 3.35Å; L255-T264 HydrophobicContact CD1-CG2 4.17Å; A260-T264 PolarHBondContact O-OG1 2.57Å; I261-T264 PolarHBondContact O-N 3.44Å; I261-T264 VanDerWaalsContact O-O 3.14Å; T264-I266 HydrophobicContact CG2-CG1 4.3Å
265	I	98.2	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.9	168.5	-48.9	175.5	0	0	0	107.6	L138 L139 V143 C236 I237 Y238 V267 M288 F292	L138-I265 HydrophobicContact CB-CD1 3.6Å; L138-I265 HydrophobicContact CB-CG1 4.03Å; L138-I265 HydrophobicContact CB-CG2 4.21Å; L138-I265 HydrophobicContact CD1-CD1 4.29Å; L139-I265 HydrophobicContact CD2-CD1 4.27Å; L139-I265 HydrophobicContact CD2-CG1 3.94Å; V143-I265 HydrophobicContact CG2-CG2 4.28Å; C236-I265 PolarHBondContact O-N 3.33Å; I237-I265 CarbonylContact C-O 3Å; I237-I265 WeakPolarHBondContact CA-O 3.37Å; I237-I265 HydrophobicContact CG1-CB 4.31Å; I237-I265 HydrophobicContact CG1-CD1 4.3Å; I237-I265 HydrophobicContact CG1-CG1 4.49Å; Y238-I265 PolarHBondContact N-O 3.23Å; I265-V267 HydrophobicContact CG2-CG2 4.49Å; I265-M288 HydrophobicContact CD1-CB 4.4Å; I265-M288 HydrophobicContact CG2-SD 4.15Å; I265-F292 HydrophobicContact CD1-CE2 3.82Å; I265-F292 HydrophobicContact CD1-CZ 4.13Å
266	I	98.3	Very high	95.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.7	174.2	-60.6	170.9	0	0	0	108.5	R141 V142 V143 Y238 V248 V252 L255 I261 T264	R141-I266 PolarHBondContact O-N 2.71Å; R141-I266 VanDerWaalsContact O-N 3.08Å; V142-I266 CarbonylContact C-O 3.5Å; V142-I266 WeakPolarHBondContact CA-O 3.35Å; V142-I266 HydrophobicContact CB-CB 4.47Å; V142-I266 HydrophobicContact CG1-CB 4.1Å; V142-I266 HydrophobicContact CG1-CG2 3.95Å; V142-I266 HydrophobicContact CG2-CB 4.22Å; V142-I266 HydrophobicContact CG2-CD1 4.37Å; V143-I266 PolarHBondContact N-O 3.08Å; Y238-I266 CarbonylContact O-C 3.3Å; Y238-I266 WeakPolarHBondContact O-CA 3.05Å; V248-I266 HydrophobicContact CG1-CG2 4.28Å; V252-I266 HydrophobicContact CB-CD1 4.35Å; V252-I266 HydrophobicContact CG2-CD1 3.58Å; L255-I266 HydrophobicContact CD1-CD1 4.09Å; I261-I266 HydrophobicContact CD1-CD1 3.83Å; T264-I266 HydrophobicContact CG2-CG1 4.3Å
267	V	98.3	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.8	172.3	-176.1	0	0	0	0	107.8	V143 I237 Y238 V239 A240 I265 A281 M288	V143-V267 HydrophobicContact CG2-CB 4.48Å; V143-V267 HydrophobicContact CG2-CG2 3.95Å; V143-V267 CarbonylContact O-C 3.58Å; V143-V267 WeakPolarHBondContact O-CA 3.49Å; I237-V267 HydrophobicContact CG2-CG2 4.3Å; Y238-V267 PolarHBondContact O-N 3.42Å; V239-V267 CarbonylContact C-O 3.59Å; V239-V267 WeakPolarHBondContact CA-O 3.47Å; V239-V267 HydrophobicContact CG1-CB 4.26Å; V239-V267 HydrophobicContact CG1-CG1 4.36Å; V239-V267 HydrophobicContact CG2-CB 4.3Å; A240-V267 PolarHBondContact N-O 3.1Å; I265-V267 HydrophobicContact CG2-CG2 4.49Å; V267-A281 HydrophobicContact CG1-CB 4.21Å; V267-M288 HydrophobicContact CG2-CE 4.36Å; V267-M288 HydrophobicContact CG2-SD 3.62Å
268	S	97.6	Very high	95.6	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.028	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.7	-172.5	175.6	0	0	0	0	111.3	V143 T270	V143-S268 PolarHBondContact O-N 3.4Å; S268-T270 VanDerWaalsContact OG-CG2 3.25Å; S268-T270 WeakPolarHBondContact OG-CG2 3.31Å
269	A	96.9	Very high	95.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	96.5	162.6	0	0	0	0	0	108	A240 I241 G242 L277 Q278 A281	A240-A269 PolarHBondContact O-N 3.15Å; I241-A269 CarbonylContact C-O 3.51Å; G242-A269 PolarHBondContact N-O 2.88Å; A269-L277 HydrophobicContact CB-CB 4.48Å; A269-Q278 HydrophobicContact CB-CG 4.22Å; A269-A281 HydrophobicContact CB-CB 3.66Å
270	T	95.8	Very high	95.6	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.043	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	167.7	-173.4	63.6	0	0	0	0	112.5	Q243 R245 V248 S268 S272 D273 Q278	Q243-T270 VanDerWaalsContact O-CA 3.26Å; Q243-T270 WeakPolarHBondContact O-CA 3.47Å; Q243-T270 VanDerWaalsContact O-CB 3.25Å; Q243-T270 WeakPolarHBondContact O-CB 3.02Å; R245-T270 HydrophobicContact CG-CG2 3.76Å; V248-T270 HydrophobicContact CG2-CG2 4.43Å; S268-T270 VanDerWaalsContact OG-CG2 3.25Å; S268-T270 WeakPolarHBondContact OG-CG2 3.31Å; T270-S272 PolarHBondContact O-N 3.47Å; T270-S272 VanDerWaalsContact O-N 3.1Å; T270-S272 PolarHBondContact OG1-OG 2.92Å; T270-D273 WeakPolarHBondContact CA-OD2 3.4Å; T270-D273 PolarHBondContact N-OD2 3.45Å; T270-D273 WeakPolarHBondContact O-CB 3.41Å; T270-D273 PolarHBondContact O-N 3.28Å; T270-D273 VanDerWaalsContact OG1-CG 3.3Å; T270-D273 PolarHBondContact OG1-OD1 2.81Å; T270-D273 PolarHBondContact OG1-OD2 3.43Å; T270-Q278 PolarHBondContact O-NE2 2.66Å
271	A	93.9	Very high	95.6	Very high	63 Å²	63	22.1 Å²	22.1	52%	0.521	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.2	179	0	0	0	0	0	114.4	Q243 D273	Q243-A271 PolarHBondContact O-N 2.82Å; A271-D273 VanDerWaalsContact C-N 3.32Å
272	S	92.4	Very high	95.7	Very high	77 Å²	77	21 Å²	21	54%	0.538	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-16	175.7	56.9	0	0	0	0	113.5	R245 T270	R245-S272 PolarHBondContact NE-OG 2.87Å; R245-S272 VanDerWaalsContact NE-OG 3.1Å; R245-S272 PolarHBondContact NH2-OG 3.3Å; T270-S272 PolarHBondContact O-N 3.47Å; T270-S272 VanDerWaalsContact O-N 3.1Å; T270-S272 PolarHBondContact OG1-OG 2.92Å
273	D	92.4	Very high	95.8	Very high	41 Å²	41	15.1 Å²	15.1	22%	0.219	10%	0.1	C	C	.	.	S	Bend	trans	-87.3	151.9	-174.5	-52.4	-33.5	0	0	0	109.6	R245 T270 A271 L277 Q278	R245-D273 IonicContact NH2-OD1 2.87Å; T270-D273 WeakPolarHBondContact CA-OD2 3.4Å; T270-D273 PolarHBondContact N-OD2 3.45Å; T270-D273 WeakPolarHBondContact O-CB 3.41Å; T270-D273 PolarHBondContact O-N 3.28Å; T270-D273 VanDerWaalsContact OG1-CG 3.3Å; T270-D273 PolarHBondContact OG1-OD1 2.81Å; T270-D273 PolarHBondContact OG1-OD2 3.43Å; A271-D273 VanDerWaalsContact C-N 3.32Å; D273-L277 HydrophobicContact CB-CB 4.47Å; D273-L277 HydrophobicContact CB-CD1 4.1Å; D273-Q278 PolarHBondContact O-NE2 3.1Å
274	A	92	Very high	95.8	Very high	27 Å²	27	14.6 Å²	14.6	22%	0.223	10%	0.098	C	C	.	.			trans	-59.4	147.8	-175.5	0	0	0	0	0	112	P276 L277 Q278	A274-P276 VanDerWaalsContact C-N 3.27Å; A274-P276 VanDerWaalsContact O-N 3.13Å; A274-L277 WeakPolarHBondContact O-CB 3.45Å; A274-L277 PolarHBondContact O-N 3.09Å; A274-Q278 PolarHBondContact O-N 2.81Å
275	A	93.2	Very high	95.8	Very high	13 Å²	13	14.6 Å²	14.6	11%	0.107	10%	0.098	C	C	.	.	H	α-helix	trans	-50.3	-37.7	179.9	0	0	0	0	0	114.3	L277 Q278 Y279 A312 M316	A275-L277 VanDerWaalsContact C-N 3.31Å; A275-L277 PolarHBondContact O-N 2.9Å; A275-Q278 PolarHBondContact O-N 2.7Å; A275-Y279 PolarHBondContact O-N 3.39Å; A275-A312 HydrophobicContact CB-CB 4.24Å; A275-M316 HydrophobicContact CB-CG 4.12Å
276	P	93.2	Very high	95.8	Very high	7 Å²	7	14.6 Å²	14.6	5%	0.045	10%	0.098	C	C	.	.	H	α-helix	trans	-62.2	-34.2	176.3	-24	35.6	0	0	0	114.1	V109 F111 A274 Y279 L280 M316	V109-P276 HydrophobicContact CB-CB 4.19Å; V109-P276 HydrophobicContact CB-CG 3.7Å; V109-P276 HydrophobicContact CG1-CG 4.43Å; V109-P276 HydrophobicContact CG2-CB 4.02Å; V109-P276 HydrophobicContact CG2-CG 4.11Å; F111-P276 HydrophobicContact CD1-CB 3.62Å; F111-P276 HydrophobicContact CE1-CB 3.45Å; F111-P276 VanDerWaalsContact CE1-CB 3.45Å; A274-P276 VanDerWaalsContact C-N 3.27Å; A274-P276 VanDerWaalsContact O-N 3.13Å; P276-Y279 PolarHBondContact O-N 2.72Å; P276-L280 VanDerWaalsContact O-CB 3.25Å; P276-L280 WeakPolarHBondContact O-CB 3.31Å; P276-L280 PolarHBondContact O-N 3.11Å; P276-M316 WeakPolarHBondContact CA-SD 3.46Å; P276-M316 HydrophobicContact CB-SD 3.79Å; P276-M316 HydrophobicContact CG-CG 4.4Å; P276-M316 HydrophobicContact CG-SD 3.61Å
277	L	93.9	Very high	95.8	Very high	22 Å²	22	14.6 Å²	14.6	12%	0.115	10%	0.098	C	C	.	.	H	α-helix	trans	-69.7	-39.5	175.9	-67.4	170.8	0	0	0	111.1	F111 A145 L146 A269 D273 A274 A275 Y279 L280 A281	F111-L277 HydrophobicContact CB-CD2 4.22Å; F111-L277 HydrophobicContact CD1-CD2 3.81Å; F111-L277 HydrophobicContact CD1-CG 4.08Å; F111-L277 HydrophobicContact CG-CD2 4.26Å; A145-L277 HydrophobicContact CB-CB 4.23Å; A145-L277 HydrophobicContact CB-CD2 4.01Å; A145-L277 WeakPolarHBondContact CB-O 3.4Å; L146-L277 HydrophobicContact CD1-CD2 4.32Å; L146-L277 HydrophobicContact CG-CD2 4.04Å; A269-L277 HydrophobicContact CB-CB 4.48Å; D273-L277 HydrophobicContact CB-CB 4.47Å; D273-L277 HydrophobicContact CB-CD1 4.1Å; A274-L277 WeakPolarHBondContact O-CB 3.45Å; A274-L277 PolarHBondContact O-N 3.09Å; A275-L277 VanDerWaalsContact C-N 3.31Å; A275-L277 PolarHBondContact O-N 2.9Å; L277-Y279 VanDerWaalsContact C-N 3.34Å; L277-L280 PolarHBondContact O-N 3.29Å; L277-A281 WeakPolarHBondContact O-CB 3.43Å; L277-A281 PolarHBondContact O-N 3.24Å
278	Q	96.3	Very high	95.7	Very high	28 Å²	28	14.7 Å²	14.7	13%	0.131	10%	0.098	C	C	.	.	H	α-helix	trans	-65.4	-37.8	175.4	-59.9	-179.1	27.2	0	0	111.9	I241 A269 T270 D273 A274 A275 A312	I241-Q278 HydrophobicContact CG2-CB 4.25Å; A269-Q278 HydrophobicContact CB-CG 4.22Å; T270-Q278 PolarHBondContact O-NE2 2.66Å; D273-Q278 PolarHBondContact O-NE2 3.1Å; A274-Q278 PolarHBondContact O-N 2.81Å; A275-Q278 PolarHBondContact O-N 2.7Å; Q278-A312 HydrophobicContact CB-CB 3.89Å
279	Y	95.5	Very high	95.7	Very high	8 Å²	8	14.5 Å²	14.5	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-41.1	172.6	158.1	-93	0	0	0	112.6	M97 A275 P276 L277 P282 Y283 Q309 Y313 M316 L336 R339	M97-Y279 HydrophobicContact CE-CD1 4.44Å; M97-Y279 HydrophobicContact CE-CE1 3.92Å; A275-Y279 PolarHBondContact O-N 3.39Å; P276-Y279 PolarHBondContact O-N 2.72Å; L277-Y279 VanDerWaalsContact C-N 3.34Å; Y279-P282 WeakPolarHBondContact O-CD 3.2Å; Y279-Y283 HydrophobicContact CE2-CE2 4.12Å; Y279-Q309 PolarHBondContact O-NE2 2.86Å; Y279-Y313 AromaticContact CD2-CD2 3.61Å; Y279-Y313 HydrophobicContact CD2-CD2 3.61Å; Y279-Y313 HydrophobicContact CD2-CE2 4.39Å; Y279-Y313 HydrophobicContact CD2-CG 4.12Å; Y279-Y313 AromaticContact CE2-CD2 3.58Å; Y279-Y313 HydrophobicContact CE2-CD2 3.58Å; Y279-Y313 AromaticContact CE2-CE2 3.91Å; Y279-Y313 HydrophobicContact CE2-CE2 3.91Å; Y279-Y313 HydrophobicContact CE2-CG 4.27Å; Y279-M316 HydrophobicContact CD1-CE 3.84Å; Y279-M316 HydrophobicContact CD2-CE 3.63Å; Y279-M316 HydrophobicContact CE2-CE 4.3Å; Y279-M316 HydrophobicContact CG-CE 3.34Å; Y279-L336 HydrophobicContact CD2-CD1 3.71Å; Y279-L336 HydrophobicContact CE2-CD1 3.29Å; Y279-R339 PolarHBondContact OH-NH2 3.46Å
280	L	95.5	Very high	95.7	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-78.4	-33.1	-173.4	-172.6	65.4	0	0	0	113.1	F111 V130 A145 L146 V164 P276 L277 P282 Y283 A284	F111-L280 HydrophobicContact CE1-CD2 4.33Å; F111-L280 HydrophobicContact CZ-CD2 4.31Å; V130-L280 HydrophobicContact CG1-CD1 4.12Å; V130-L280 HydrophobicContact CG1-CD2 3.89Å; A145-L280 HydrophobicContact CB-CB 4.37Å; L146-L280 HydrophobicContact CD2-CD2 3.77Å; V164-L280 HydrophobicContact CB-CD1 4.3Å; V164-L280 HydrophobicContact CG1-CD1 4.39Å; V164-L280 HydrophobicContact CG2-CD1 3.78Å; P276-L280 VanDerWaalsContact O-CB 3.25Å; P276-L280 WeakPolarHBondContact O-CB 3.31Å; P276-L280 PolarHBondContact O-N 3.11Å; L277-L280 PolarHBondContact O-N 3.29Å; L280-P282 VanDerWaalsContact C-N 3.33Å; L280-P282 VanDerWaalsContact O-N 3.15Å; L280-Y283 WeakPolarHBondContact O-CA 3.3Å; L280-Y283 WeakPolarHBondContact O-CB 3.46Å; L280-Y283 PolarHBondContact O-N 2.81Å; L280-A284 PolarHBondContact O-N 3.31Å
281	A	97.5	Very high	95.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-50.1	-42.5	-172.5	0	0	0	0	0	114.6	A145 V239 V267 A269 L277 Y283 A284 G285	A145-A281 HydrophobicContact CB-CB 3.94Å; V239-A281 HydrophobicContact CG1-CB 3.98Å; V267-A281 HydrophobicContact CG1-CB 4.21Å; A269-A281 HydrophobicContact CB-CB 3.66Å; L277-A281 WeakPolarHBondContact O-CB 3.43Å; L277-A281 PolarHBondContact O-N 3.24Å; A281-Y283 PolarHBondContact O-N 2.97Å; A281-A284 PolarHBondContact O-N 3.43Å; A281-G285 PolarHBondContact O-N 3.14Å
282	P	98.3	Very high	95.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.9	-36.1	176.4	-27.7	41.2	0	0	0	113.9	V239 I241 Y279 L280 C286 Y303 L306 Q309 L340	V239-P282 HydrophobicContact CG1-CG 4.4Å; I241-P282 HydrophobicContact CD1-CG 3.5Å; I241-P282 VanDerWaalsContact CD1-CG 3.5Å; I241-P282 HydrophobicContact CG1-CG 3.99Å; Y279-P282 WeakPolarHBondContact O-CD 3.2Å; L280-P282 VanDerWaalsContact C-N 3.33Å; L280-P282 VanDerWaalsContact O-N 3.15Å; P282-C286 VanDerWaalsContact O-CB 3.23Å; P282-C286 WeakPolarHBondContact O-CB 3.39Å; P282-C286 PolarHBondContact O-N 3.42Å; P282-Y303 HydrophobicContact CB-CD1 3.84Å; P282-Y303 HydrophobicContact CB-CE1 3.95Å; P282-L306 HydrophobicContact CB-CD2 4.34Å; P282-L306 HydrophobicContact CG-CD2 4.21Å; P282-Q309 HydrophobicContact CG-CB 4.45Å; P282-Q309 HydrophobicContact CG-CG 4.02Å; P282-L340 HydrophobicContact CB-CD1 4.02Å; P282-L340 HydrophobicContact CB-CD2 3.56Å; P282-L340 HydrophobicContact CB-CG 4.46Å; P282-L340 WeakPolarHBondContact O-CD1 3.35Å
283	Y	97.6	Very high	96.1	Very high	7 Å²	7	10.5 Å²	10.5	3%	0.027	6%	0.055	C	C	.	.	H	α-helix	trans	-70.7	-39.2	176.2	-64.2	-72.2	0	0	0	112	Y279 L280 A281 C286 A287 L336 R339 L340	Y279-Y283 HydrophobicContact CE2-CE2 4.12Å; L280-Y283 WeakPolarHBondContact O-CA 3.3Å; L280-Y283 WeakPolarHBondContact O-CB 3.46Å; L280-Y283 PolarHBondContact O-N 2.81Å; A281-Y283 PolarHBondContact O-N 2.97Å; Y283-C286 PolarHBondContact O-N 3.13Å; Y283-A287 PolarHBondContact O-N 3.05Å; Y283-L336 HydrophobicContact CE2-CD1 3.92Å; Y283-L336 WeakPolarHBondContact OH-CD1 3.49Å; Y283-L336 PolarHBondContact OH-O 3.31Å; Y283-R339 HydrophobicContact CE1-CG 4.02Å; Y283-R339 PolarHBondContact OH-NE 3.27Å; Y283-R339 PolarHBondContact OH-NH2 3Å; Y283-R339 VanDerWaalsContact OH-NH2 3.12Å; Y283-L340 HydrophobicContact CD1-CD1 3.99Å; Y283-L340 HydrophobicContact CE1-CB 3.99Å; Y283-L340 HydrophobicContact CE1-CD1 4.21Å
284	A	97.2	Very high	96.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.6	-50.2	174.1	0	0	0	0	0	111.3	V132 A145 L280 A281 C286 A287 M288	V132-A284 HydrophobicContact CG1-CB 3.98Å; A145-A284 VanDerWaalsContact O-CB 3.22Å; A145-A284 WeakPolarHBondContact O-CB 3.41Å; L280-A284 PolarHBondContact O-N 3.31Å; A281-A284 PolarHBondContact O-N 3.43Å; A284-C286 VanDerWaalsContact C-N 3.3Å; A284-C286 PolarHBondContact O-N 3.2Å; A284-A287 PolarHBondContact O-N 3.29Å; A284-M288 WeakPolarHBondContact O-CG 3.41Å; A284-M288 PolarHBondContact O-N 2.86Å; A284-M288 VanDerWaalsContact O-N 3.07Å
285	G	97.7	Very high	96.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-38.2	175.3	0	0	0	0	0	112.7	A281 M288 G289 I301	A281-G285 PolarHBondContact O-N 3.14Å; G285-M288 PolarHBondContact O-N 3.49Å; G285-G289 PolarHBondContact O-N 2.94Å; G285-I301 WeakPolarHBondContact O-CD1 3.21Å
286	C	98.2	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.5	-46	175.3	-167.5	0	0	0	0	111.5	P282 Y283 A284 M288 G289 E290 I301 L340 R343	P282-C286 VanDerWaalsContact O-CB 3.23Å; P282-C286 WeakPolarHBondContact O-CB 3.39Å; P282-C286 PolarHBondContact O-N 3.42Å; Y283-C286 PolarHBondContact O-N 3.13Å; A284-C286 VanDerWaalsContact C-N 3.3Å; A284-C286 PolarHBondContact O-N 3.2Å; C286-M288 VanDerWaalsContact C-N 3.32Å; C286-M288 PolarHBondContact O-N 3.2Å; C286-G289 CarbonylContact O-C 3.56Å; C286-G289 WeakPolarHBondContact O-CA 3.42Å; C286-G289 PolarHBondContact O-N 3.25Å; C286-E290 WeakPolarHBondContact O-CG 3.49Å; C286-E290 PolarHBondContact O-N 3.02Å; C286-I301 HydrophobicContact CB-CD1 4.49Å; C286-L340 HydrophobicContact CB-CD1 3.94Å; C286-R343 VanDerWaalsContact SG-CZ 3.53Å; C286-R343 PolarHBondContact SG-NE 3.2Å; C286-R343 VanDerWaalsContact SG-NE 3.4Å
287	A	97.5	Very high	96.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-41.1	176.4	0	0	0	0	0	112.3	V132 Q162 Y283 A284 G289 E290 Y291	V132-A287 HydrophobicContact CG2-CB 3.86Å; Q162-A287 HydrophobicContact CG-CB 4.43Å; Q162-A287 PolarHBondContact OE1-O 2.89Å; Y283-A287 PolarHBondContact O-N 3.05Å; A284-A287 PolarHBondContact O-N 3.29Å; A287-G289 VanDerWaalsContact C-N 3.27Å; A287-G289 PolarHBondContact O-N 3.06Å; A287-E290 PolarHBondContact O-N 3.18Å; A287-Y291 PolarHBondContact O-N 3.03Å
288	M	97.7	Very high	96.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-35.8	173.4	-63.7	169.2	-173.5	0	0	112.1	V132 V134 L138 V143 I237 I265 V267 A284 G285 C286 F292	V132-M288 HydrophobicContact CB-CE 4.49Å; V134-M288 HydrophobicContact CG1-CG 4.34Å; L138-M288 HydrophobicContact CD1-CB 4.42Å; L138-M288 HydrophobicContact CD1-CE 4.44Å; L138-M288 HydrophobicContact CD1-CG 3.83Å; L138-M288 HydrophobicContact CD1-SD 4.11Å; V143-M288 HydrophobicContact CG2-CE 3.79Å; V143-M288 HydrophobicContact CG2-SD 4.14Å; I237-M288 HydrophobicContact CD1-CB 4.19Å; I265-M288 HydrophobicContact CD1-CB 4.4Å; I265-M288 HydrophobicContact CG2-SD 4.15Å; V267-M288 HydrophobicContact CG2-CE 4.36Å; V267-M288 HydrophobicContact CG2-SD 3.62Å; A284-M288 WeakPolarHBondContact O-CG 3.41Å; A284-M288 PolarHBondContact O-N 2.86Å; A284-M288 VanDerWaalsContact O-N 3.07Å; G285-M288 PolarHBondContact O-N 3.49Å; C286-M288 VanDerWaalsContact C-N 3.32Å; C286-M288 PolarHBondContact O-N 3.2Å; M288-F292 WeakPolarHBondContact O-CD2 3.46Å; M288-F292 WeakPolarHBondContact O-CE2 3.4Å
289	G	97.5	Very high	96.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-73.1	-36.2	175.8	0	0	0	0	0	114.1	G285 C286 A287 Y291 F292 R293	G285-G289 PolarHBondContact O-N 2.94Å; C286-G289 CarbonylContact O-C 3.56Å; C286-G289 WeakPolarHBondContact O-CA 3.42Å; C286-G289 PolarHBondContact O-N 3.25Å; A287-G289 VanDerWaalsContact C-N 3.27Å; A287-G289 PolarHBondContact O-N 3.06Å; G289-Y291 VanDerWaalsContact C-N 3.28Å; G289-Y291 PolarHBondContact O-N 3.26Å; G289-F292 PolarHBondContact O-N 3.38Å; G289-F292 VanDerWaalsContact O-N 3.14Å; G289-R293 PolarHBondContact O-N 3.22Å; G289-R293 VanDerWaalsContact O-N 3.14Å
290	E	97.6	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.4	-35.4	177	-72.4	-172	141.6	0	0	112	Q162 C286 A287 F292 R293 D294 R343 L356	Q162-E290 PolarHBondContact NE2-OE2 3.45Å; C286-E290 WeakPolarHBondContact O-CG 3.49Å; C286-E290 PolarHBondContact O-N 3.02Å; A287-E290 PolarHBondContact O-N 3.18Å; E290-F292 PolarHBondContact O-N 3.18Å; E290-R293 WeakPolarHBondContact O-CB 3.06Å; E290-R293 PolarHBondContact O-N 3.44Å; E290-R293 VanDerWaalsContact O-N 3.11Å; E290-R293 IonicContact OE1-CZ 2.71Å; E290-R293 IonicContact OE1-NH1 2.98Å; E290-R293 PolarHBondContact OE1-NH1 2.71Å; E290-R293 IonicContact OE1-NH2 3.83Å; E290-R293 PolarHBondContact OE1-NH2 3.04Å; E290-D294 WeakPolarHBondContact O-CB 3.28Å; E290-D294 PolarHBondContact O-N 2.71Å; E290-R343 VanDerWaalsContact CD-NH2 3.35Å; E290-R343 IonicContact OE1-CZ 2.66Å; E290-R343 IonicContact OE1-NE 3.05Å; E290-R343 PolarHBondContact OE1-NE 2.94Å; E290-R343 IonicContact OE1-NH2 3.78Å; E290-R343 IonicContact OE2-CZ 3.23Å; E290-R343 IonicContact OE2-NE 2.66Å; E290-R343 PolarHBondContact OE2-NE 3.03Å; E290-R343 IonicContact OE2-NH2 3.31Å; E290-R343 PolarHBondContact OE2-NH2 3.12Å; E290-L356 HydrophobicContact CG-CD2 4.28Å
291	Y	96.7	Very high	97.2	Very high	54 Å²	54	16 Å²	16	21%	0.212	9%	0.085	C	C	.	.	H	α-helix	trans	-53	-42.8	171.8	175.5	-92.7	0	0	0	112.1	V134 V136 A287 G289 N295	V134-Y291 HydrophobicContact CB-CD2 4.28Å; V134-Y291 HydrophobicContact CB-CG 4.28Å; V134-Y291 HydrophobicContact CG2-CD2 3.89Å; V134-Y291 HydrophobicContact CG2-CG 4.36Å; V136-Y291 HydrophobicContact CG1-CE1 4.15Å; A287-Y291 PolarHBondContact O-N 3.03Å; G289-Y291 VanDerWaalsContact C-N 3.28Å; G289-Y291 PolarHBondContact O-N 3.26Å; Y291-N295 WeakPolarHBondContact CE2-ND2 3.26Å; Y291-N295 WeakPolarHBondContact O-CB 3.33Å; Y291-N295 PolarHBondContact O-N 3.12Å; Y291-N295 PolarHBondContact O-ND2 2.95Å
292	F	96.8	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-71.1	-43.8	176.5	-61.4	-77.2	0	0	0	111.7	V136 L139 Y235 I265 M288 G289 E290 D294 N295 K297 A299	V136-F292 HydrophobicContact CG1-CE1 4.2Å; L139-F292 HydrophobicContact CD1-CE1 4.43Å; L139-F292 HydrophobicContact CD2-CE1 4.29Å; L139-F292 HydrophobicContact CD2-CZ 3.75Å; L139-F292 HydrophobicContact CG-CZ 4.19Å; Y235-F292 HydrophobicContact CD1-CD1 4.39Å; Y235-F292 HydrophobicContact CD1-CE1 4.03Å; Y235-F292 AromaticContact CD2-CD1 3.7Å; Y235-F292 HydrophobicContact CD2-CD1 3.7Å; Y235-F292 HydrophobicContact CD2-CE1 4.17Å; Y235-F292 HydrophobicContact CD2-CG 4.31Å; Y235-F292 HydrophobicContact CE1-CE1 4.48Å; Y235-F292 HydrophobicContact CE2-CD1 4.23Å; Y235-F292 AromaticContact CG-CD1 3.77Å; Y235-F292 HydrophobicContact CG-CD1 3.77Å; Y235-F292 AromaticContact CG-CE1 3.82Å; Y235-F292 HydrophobicContact CG-CE1 3.82Å; Y235-F292 HydrophobicContact CG-CG 4.37Å; Y235-F292 HydrophobicContact CG-CZ 4.47Å; I265-F292 HydrophobicContact CD1-CE2 3.82Å; I265-F292 HydrophobicContact CD1-CZ 4.13Å; M288-F292 WeakPolarHBondContact O-CD2 3.46Å; M288-F292 WeakPolarHBondContact O-CE2 3.4Å; G289-F292 PolarHBondContact O-N 3.38Å; G289-F292 VanDerWaalsContact O-N 3.14Å; E290-F292 PolarHBondContact O-N 3.18Å; F292-D294 PolarHBondContact O-N 3.21Å; F292-N295 PolarHBondContact O-N 3.07Å; F292-K297 HydrophobicContact CB-CB 4.12Å; F292-K297 HydrophobicContact CD1-CD 4.03Å; F292-K297 CarbonylContact O-C 3.49Å; F292-K297 WeakPolarHBondContact O-CA 3.37Å; F292-K297 VanDerWaalsContact O-CB 3.28Å; F292-K297 WeakPolarHBondContact O-CB 3.26Å; F292-K297 PolarHBondContact O-N 2.96Å; F292-A299 HydrophobicContact CB-CB 3.92Å; F292-A299 HydrophobicContact CD2-CB 4.43Å; F292-A299 HydrophobicContact CG-CB 4.48Å
293	R	96.9	Very high	97.3	Very high	10 Å²	10	16 Å²	16	4%	0.038	9%	0.085	C	C	.	.	H	α-helix	trans	-56	-48.2	178.2	-177.3	-164.6	70.4	-154.4	-8.7	111.9	G289 E290 N295 G296 R343 M347 G354 L356	G289-R293 PolarHBondContact O-N 3.22Å; G289-R293 VanDerWaalsContact O-N 3.14Å; E290-R293 WeakPolarHBondContact O-CB 3.06Å; E290-R293 PolarHBondContact O-N 3.44Å; E290-R293 VanDerWaalsContact O-N 3.11Å; E290-R293 IonicContact OE1-CZ 2.71Å; E290-R293 IonicContact OE1-NH1 2.98Å; E290-R293 PolarHBondContact OE1-NH1 2.71Å; E290-R293 IonicContact OE1-NH2 3.83Å; E290-R293 PolarHBondContact OE1-NH2 3.04Å; R293-N295 VanDerWaalsContact C-N 3.28Å; R293-N295 PolarHBondContact O-N 2.8Å; R293-G296 PolarHBondContact O-N 2.77Å; R293-R343 PolarHBondContact NH1-O 3.14Å; R293-M347 HydrophobicContact CG-CG 3.78Å; R293-G354 VanDerWaalsContact O-CA 3.31Å; R293-G354 WeakPolarHBondContact O-CA 3.31Å; R293-L356 HydrophobicContact CB-CB 4.28Å; R293-L356 HydrophobicContact CG-CB 4.42Å
294	D	95.9	Very high	97.3	Very high	76 Å²	76	15.9 Å²	15.9	41%	0.406	9%	0.085	S	C	.	.	H	α-helix	trans	-79.2	-14.2	-172	-62.6	-21.5	0	0	0	112.4	E290 F292	E290-D294 WeakPolarHBondContact O-CB 3.28Å; E290-D294 PolarHBondContact O-N 2.71Å; F292-D294 PolarHBondContact O-N 3.21Å
295	N	95.2	Very high	97.3	Very high	92 Å²	92	16 Å²	16	49%	0.492	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	24.2	172.5	-71.7	-63.9	0	0	0	113	Y291 F292 R293 K297	Y291-N295 WeakPolarHBondContact CE2-ND2 3.26Å; Y291-N295 WeakPolarHBondContact O-CB 3.33Å; Y291-N295 PolarHBondContact O-N 3.12Å; Y291-N295 PolarHBondContact O-ND2 2.95Å; F292-N295 PolarHBondContact O-N 3.07Å; R293-N295 VanDerWaalsContact C-N 3.28Å; R293-N295 PolarHBondContact O-N 2.8Å; N295-K297 PolarHBondContact O-N 2.87Å
296	G	94.5	Very high	97.3	Very high	30 Å²	30	16 Å²	16	31%	0.309	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	13.6	176.1	0	0	0	0	0	115.1	R293 G352	R293-G296 PolarHBondContact O-N 2.77Å; G296-G352 VanDerWaalsContact CA-O 3.23Å; G296-G352 WeakPolarHBondContact CA-O 3.49Å
297	K	96.3	Very high	97.2	Very high	55 Å²	55	16.9 Å²	16.9	24%	0.239	9%	0.091	C	C	.	.			trans	-97.4	168.8	176.8	-62	174	167.8	-155.9	0	110.6	Y235 F292 N295 G354 S355	Y235-K297 HydrophobicContact CD2-CB 4.17Å; Y235-K297 HydrophobicContact CD2-CD 4.29Å; Y235-K297 HydrophobicContact CE2-CB 3.98Å; Y235-K297 HydrophobicContact CE2-CD 3.58Å; Y235-K297 HydrophobicContact CE2-CG 4.06Å; Y235-K297 PolarHBondContact OH-NZ 3.08Å; Y235-K297 VanDerWaalsContact OH-NZ 3.14Å; F292-K297 HydrophobicContact CB-CB 4.12Å; F292-K297 HydrophobicContact CD1-CD 4.03Å; F292-K297 CarbonylContact O-C 3.49Å; F292-K297 WeakPolarHBondContact O-CA 3.37Å; F292-K297 VanDerWaalsContact O-CB 3.28Å; F292-K297 WeakPolarHBondContact O-CB 3.26Å; F292-K297 PolarHBondContact O-N 2.96Å; N295-K297 PolarHBondContact O-N 2.87Å; K297-G354 CarbonylContact O-C 3.47Å; K297-G354 WeakPolarHBondContact O-CA 3.4Å; K297-S355 PolarHBondContact O-N 2.9Å
298	H	97.8	Very high	97.1	Very high	11 Å²	11	19.4 Å²	19.4	5%	0.051	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133	175.8	-55	-83	0	0	0	110.1	E179 R196 K231 L234 Y235 S355	E179-H298 IonicContact OE2-CE1 2.79Å; E179-H298 PolarHBondContact OE2-CE1 3.06Å; E179-H298 IonicContact OE2-NE2 3.55Å; R196-H298 PolarHBondContact NH1-CD2 3.14Å; R196-H298 VanDerWaalsContact NH1-CG 3.27Å; R196-H298 PolarHBondContact NH1-NE2 2.58Å; K231-H298 PolarHBondContact O-CD2 3.05Å; K231-H298 PolarHBondContact O-NE2 3.11Å; L234-H298 HydrophobicContact CD1-CB 3.6Å; Y235-H298 WeakPolarHBondContact CD2-O 3.37Å; Y235-H298 PolarHBondContact N-O 3.24Å; H298-S355 CarbonylContact C-O 3.57Å; H298-S355 WeakPolarHBondContact CA-O 3.36Å; H298-S355 WeakPolarHBondContact CB-OG 3.37Å; H298-S355 PolarHBondContact ND1-OG 2.96Å
299	A	98.1	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.6	174.8	0	0	0	0	0	112.4	Y235 F292 S355 L356 T357	Y235-A299 CarbonylContact O-C 3.52Å; Y235-A299 WeakPolarHBondContact O-CA 3.33Å; F292-A299 HydrophobicContact CB-CB 3.92Å; F292-A299 HydrophobicContact CD2-CB 4.43Å; F292-A299 HydrophobicContact CG-CB 4.48Å; A299-S355 PolarHBondContact N-O 3.45Å; A299-L356 HydrophobicContact CB-CD1 3.78Å; A299-T357 PolarHBondContact O-N 3.15Å
300	L	98.6	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.3	171.5	174.3	66.1	0	0	0	108.2	M181 T217 L234 Y235 C236 I237 I302 T357 L359	M181-L300 HydrophobicContact CE-CD1 3.99Å; M181-L300 HydrophobicContact SD-CD2 4.34Å; T217-L300 HydrophobicContact CG2-CD2 3.62Å; L234-L300 HydrophobicContact CD1-CB 4.42Å; L234-L300 HydrophobicContact CD2-CB 3.9Å; L234-L300 HydrophobicContact CD2-CD2 4.37Å; L234-L300 HydrophobicContact CG-CB 4.1Å; Y235-L300 PolarHBondContact O-N 2.81Å; C236-L300 CarbonylContact C-O 3.46Å; C236-L300 WeakPolarHBondContact CA-O 3.3Å; I237-L300 PolarHBondContact N-O 3.43Å; L300-I302 HydrophobicContact CD2-CD1 4.36Å; L300-T357 CarbonylContact C-O 3.33Å; L300-T357 WeakPolarHBondContact CA-O 3.26Å; L300-T357 HydrophobicContact CD1-CG2 4.02Å; L300-L359 HydrophobicContact CD1-CD1 3.84Å; L300-L359 HydrophobicContact CD1-CG 3.81Å; L300-L359 HydrophobicContact CD2-CD1 4.46Å
301	I	98.7	Very high	97.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.5	174.2	-171.2	158.7	0	0	0	110.9	I237 V239 G285 C286 Y303 L356 T357 A358 L359	I237-I301 HydrophobicContact CB-CB 4.35Å; I237-I301 HydrophobicContact CB-CD1 4.4Å; I237-I301 HydrophobicContact CB-CG1 4.12Å; I237-I301 HydrophobicContact CG2-CD1 4.09Å; I237-I301 HydrophobicContact CG2-CG1 4.15Å; I237-I301 CarbonylContact O-C 3.51Å; I237-I301 WeakPolarHBondContact O-CA 3.25Å; V239-I301 HydrophobicContact CG2-CD1 3.98Å; V239-I301 HydrophobicContact CG2-CG1 4.06Å; G285-I301 WeakPolarHBondContact O-CD1 3.21Å; C286-I301 HydrophobicContact CB-CD1 4.49Å; I301-Y303 HydrophobicContact CD1-CD1 4.33Å; I301-Y303 HydrophobicContact CD1-CE1 3.44Å; I301-Y303 VanDerWaalsContact CD1-CE1 3.44Å; I301-Y303 HydrophobicContact CG1-CD1 4.22Å; I301-Y303 HydrophobicContact CG1-CE1 3.69Å; I301-Y303 HydrophobicContact CG1-CE2 4.31Å; I301-Y303 HydrophobicContact CG2-CE2 3.87Å; I301-L356 HydrophobicContact CB-CD1 4.15Å; I301-L356 HydrophobicContact CG2-CD1 3.88Å; I301-L356 HydrophobicContact CG2-CG 4.22Å; I301-T357 WeakPolarHBondContact CG2-O 3.37Å; I301-T357 PolarHBondContact N-O 3.13Å; I301-A358 HydrophobicContact CG2-CB 3.89Å; I301-A358 CarbonylContact O-C 3.56Å; I301-A358 WeakPolarHBondContact O-CA 3.47Å; I301-L359 PolarHBondContact O-N 3.4Å
302	I	98.7	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.7	175.6	-70.1	148.5	0	0	0	108.3	A214 I218 I237 Y238 V239 L300 L359 V361	A214-I302 HydrophobicContact CB-CD1 3.87Å; A214-I302 HydrophobicContact CB-CG1 4.11Å; A214-I302 HydrophobicContact CB-CG2 3.79Å; I218-I302 HydrophobicContact CD1-CD1 3.59Å; I218-I302 HydrophobicContact CG1-CD1 3.64Å; I237-I302 PolarHBondContact O-N 3.04Å; Y238-I302 HydrophobicContact CD2-CB 4.17Å; Y238-I302 HydrophobicContact CD2-CD1 4.32Å; Y238-I302 HydrophobicContact CD2-CG2 3.92Å; Y238-I302 HydrophobicContact CE2-CG2 3.87Å; V239-I302 WeakPolarHBondContact CB-O 3.25Å; V239-I302 PolarHBondContact N-O 3.17Å; L300-I302 HydrophobicContact CD2-CD1 4.36Å; I302-L359 WeakPolarHBondContact CA-O 3.35Å; I302-L359 HydrophobicContact CG1-CB 3.91Å; I302-L359 HydrophobicContact CG1-CD1 4.09Å; I302-L359 HydrophobicContact CG1-CG 4.43Å; I302-V361 HydrophobicContact CG2-CG2 4.48Å
303	Y	98.6	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.2	176.2	-51	-76.7	0	0	0	109.9	V239 P282 I301 L306 L340 L341 A358 L359 P360 V361	V239-Y303 HydrophobicContact CB-CD1 4.13Å; V239-Y303 HydrophobicContact CG2-CD1 3.99Å; V239-Y303 HydrophobicContact CG2-CE1 4.28Å; P282-Y303 HydrophobicContact CB-CD1 3.84Å; P282-Y303 HydrophobicContact CB-CE1 3.95Å; I301-Y303 HydrophobicContact CD1-CD1 4.33Å; I301-Y303 HydrophobicContact CD1-CE1 3.44Å; I301-Y303 VanDerWaalsContact CD1-CE1 3.44Å; I301-Y303 HydrophobicContact CG1-CD1 4.22Å; I301-Y303 HydrophobicContact CG1-CE1 3.69Å; I301-Y303 HydrophobicContact CG1-CE2 4.31Å; I301-Y303 HydrophobicContact CG2-CE2 3.87Å; Y303-L306 HydrophobicContact CD1-CD2 4.36Å; Y303-L306 HydrophobicContact CG-CD2 3.96Å; Y303-L306 HydrophobicContact CG-CG 4.4Å; Y303-L340 HydrophobicContact CE1-CD1 4.2Å; Y303-L340 HydrophobicContact CE1-CD2 4.3Å; Y303-L341 HydrophobicContact CD2-CD2 4.2Å; Y303-L341 HydrophobicContact CE2-CD2 3.83Å; Y303-A358 HydrophobicContact CE2-CB 4.06Å; Y303-L359 PolarHBondContact N-O 3.36Å; Y303-L359 VanDerWaalsContact N-O 3.13Å; Y303-P360 HydrophobicContact CD2-CB 4.13Å; Y303-V361 WeakPolarHBondContact O-CA 3.28Å; Y303-V361 WeakPolarHBondContact O-CB 3.41Å; Y303-V361 WeakPolarHBondContact O-CG2 3.47Å; Y303-V361 PolarHBondContact O-N 3.26Å
304	D	97.6	Very high	97	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.027	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	86.6	-175.1	-171.4	7.3	0	0	0	112.3	T211 Y238 V239 I241 Q243 V361	T211-D304 PolarHBondContact OG1-OD2 3.03Å; Y238-D304 HydrophobicContact CE1-CB 4.04Å; Y238-D304 PolarHBondContact OH-OD2 2.9Å; V239-D304 PolarHBondContact O-N 3.43Å; I241-D304 PolarHBondContact N-O 3.36Å; Q243-D304 WeakPolarHBondContact CG-O 3.43Å; Q243-D304 PolarHBondContact NE2-O 2.98Å; Q243-D304 PolarHBondContact NE2-OD1 3.45Å; D304-V361 HydrophobicContact CB-CG2 4.28Å
305	D	95.9	Very high	96.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	cis	-135.5	157.6	2.4	63.2	19.7	0	0	0	113.4	I241 S307 K308 Q309 V361 E363	I241-D305 WeakPolarHBondContact CD1-O 3.41Å; D305-S307 PolarHBondContact O-N 3.33Å; D305-K308 PolarHBondContact O-N 3.04Å; D305-K308 VanDerWaalsContact OD1-CB 3.28Å; D305-K308 WeakPolarHBondContact OD1-CB 3.27Å; D305-K308 VanDerWaalsContact OD1-CD 3.26Å; D305-K308 WeakPolarHBondContact OD1-CD 3.38Å; D305-K308 WeakPolarHBondContact OD1-CG 3.31Å; D305-K308 PolarHBondContact OD1-N 3.4Å; D305-K308 IonicContact OD1-NZ 3.76Å; D305-K308 PolarHBondContact OD1-NZ 3Å; D305-K308 IonicContact OD2-NZ 3.6Å; D305-K308 PolarHBondContact OD2-NZ 2.81Å; D305-Q309 PolarHBondContact O-N 2.72Å; D305-V361 HydrophobicContact CB-CB 3.99Å; D305-V361 HydrophobicContact CB-CG1 4.03Å; D305-V361 VanDerWaalsContact CB-O 3.31Å; D305-V361 WeakPolarHBondContact CB-O 3.46Å; D305-E363 WeakPolarHBondContact OD2-CB 3.33Å
306	L	97.7	Very high	96.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-72.9	-18.7	-179.7	-65.3	-173.6	0	0	0	112.3	I241 P282 Y303 K308 Q309 A310 L340 L341 P360 V361 I362	I241-L306 HydrophobicContact CD1-CD2 4.11Å; P282-L306 HydrophobicContact CB-CD2 4.34Å; P282-L306 HydrophobicContact CG-CD2 4.21Å; Y303-L306 HydrophobicContact CD1-CD2 4.36Å; Y303-L306 HydrophobicContact CG-CD2 3.96Å; Y303-L306 HydrophobicContact CG-CG 4.4Å; L306-K308 VanDerWaalsContact C-N 3.31Å; L306-K308 PolarHBondContact O-N 2.91Å; L306-Q309 HydrophobicContact CD2-CB 4.48Å; L306-Q309 WeakPolarHBondContact O-CB 3.45Å; L306-Q309 PolarHBondContact O-N 2.63Å; L306-A310 PolarHBondContact O-N 3.27Å; L306-L340 HydrophobicContact CD1-CD2 4.47Å; L306-L340 HydrophobicContact CD2-CD2 3.85Å; L306-L341 HydrophobicContact CD1-CD1 4.34Å; L306-L341 HydrophobicContact CD1-CD2 4.26Å; L306-P360 HydrophobicContact CD1-CB 3.51Å; L306-P360 HydrophobicContact CG-CB 4.2Å; L306-V361 PolarHBondContact N-O 3.44Å; L306-I362 HydrophobicContact CB-CD1 3.69Å
307	S	96.4	Very high	96.7	Very high	19 Å²	19	19 Å²	19	13%	0.133	9%	0.09	C	C	.	.	H	α-helix	trans	-57.8	-45.9	170.5	-62.2	0	0	0	0	110.7	D305 A310 V311 E363	D305-S307 PolarHBondContact O-N 3.33Å; S307-A310 PolarHBondContact O-N 2.84Å; S307-V311 WeakPolarHBondContact O-CG2 3.38Å; S307-V311 PolarHBondContact O-N 2.79Å; S307-V311 VanDerWaalsContact O-N 3.11Å; S307-E363 PolarHBondContact OG-N 3.39Å; S307-E363 PolarHBondContact OG-O 2.93Å
308	K	96.9	Very high	96.5	Very high	53 Å²	53	20.1 Å²	20.1	23%	0.23	10%	0.098	C	C	.	.	H	α-helix	trans	-69.9	-34.3	177.1	-71.2	168	-167.7	85.1	0	112.4	I241 D305 L306 A310 V311 A312 E363	I241-K308 HydrophobicContact CG2-CB 4.17Å; I241-K308 WeakPolarHBondContact O-CD 3.4Å; D305-K308 PolarHBondContact O-N 3.04Å; D305-K308 VanDerWaalsContact OD1-CB 3.28Å; D305-K308 WeakPolarHBondContact OD1-CB 3.27Å; D305-K308 VanDerWaalsContact OD1-CD 3.26Å; D305-K308 WeakPolarHBondContact OD1-CD 3.38Å; D305-K308 WeakPolarHBondContact OD1-CG 3.31Å; D305-K308 PolarHBondContact OD1-N 3.4Å; D305-K308 IonicContact OD1-NZ 3.76Å; D305-K308 PolarHBondContact OD1-NZ 3Å; D305-K308 IonicContact OD2-NZ 3.6Å; D305-K308 PolarHBondContact OD2-NZ 2.81Å; L306-K308 VanDerWaalsContact C-N 3.31Å; L306-K308 PolarHBondContact O-N 2.91Å; K308-A310 VanDerWaalsContact C-N 3.35Å; K308-A310 PolarHBondContact O-N 3.38Å; K308-V311 PolarHBondContact O-N 2.98Å; K308-A312 WeakPolarHBondContact O-CB 3.45Å; K308-A312 PolarHBondContact O-N 2.94Å; K308-E363 IonicContact NZ-OE2 3.76Å
309	Q	97.7	Very high	96.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.5	-46.5	172	-166.8	-164.4	16.3	0	0	111.2	I241 Y279 P282 D305 L306 V311 A312 Y313	I241-Q309 HydrophobicContact CG2-CB 4.27Å; Y279-Q309 PolarHBondContact O-NE2 2.86Å; P282-Q309 HydrophobicContact CG-CB 4.45Å; P282-Q309 HydrophobicContact CG-CG 4.02Å; D305-Q309 PolarHBondContact O-N 2.72Å; L306-Q309 HydrophobicContact CD2-CB 4.48Å; L306-Q309 WeakPolarHBondContact O-CB 3.45Å; L306-Q309 PolarHBondContact O-N 2.63Å; Q309-V311 VanDerWaalsContact C-N 3.33Å; Q309-V311 PolarHBondContact O-N 2.66Å; Q309-A312 PolarHBondContact O-N 3.34Å; Q309-Y313 PolarHBondContact O-N 2.92Å
310	A	97.3	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-42.2	178.4	0	0	0	0	0	111.5	L306 S307 K308 Y313 R314 Y329 V333 I373	L306-A310 PolarHBondContact O-N 3.27Å; S307-A310 PolarHBondContact O-N 2.84Å; K308-A310 VanDerWaalsContact C-N 3.35Å; K308-A310 PolarHBondContact O-N 3.38Å; A310-Y313 PolarHBondContact O-N 3.4Å; A310-R314 WeakPolarHBondContact O-CB 3.31Å; A310-R314 PolarHBondContact O-N 2.66Å; A310-Y329 HydrophobicContact CB-CD1 4.37Å; A310-Y329 HydrophobicContact CB-CE1 3.66Å; A310-Y329 WeakPolarHBondContact O-CE1 3.5Å; A310-V333 HydrophobicContact CB-CG2 4.31Å; A310-I373 HydrophobicContact CB-CD1 3.95Å; A310-I373 HydrophobicContact CB-CG1 4.12Å; A310-I373 HydrophobicContact CB-CG2 4.32Å
311	V	96.6	Very high	95.4	Very high	59 Å²	59	32.7 Å²	32.7	36%	0.358	15%	0.15	S	C	.	.	H	α-helix	trans	-63.3	-41.8	176.7	172.8	0	0	0	0	111.4	S307 K308 Q309 R314 Q315	S307-V311 WeakPolarHBondContact O-CG2 3.38Å; S307-V311 PolarHBondContact O-N 2.79Å; S307-V311 VanDerWaalsContact O-N 3.11Å; K308-V311 PolarHBondContact O-N 2.98Å; Q309-V311 VanDerWaalsContact C-N 3.33Å; Q309-V311 PolarHBondContact O-N 2.66Å; V311-R314 WeakPolarHBondContact O-CB 3.17Å; V311-R314 PolarHBondContact O-N 3.05Å; V311-Q315 PolarHBondContact O-N 2.59Å
312	A	95.7	Very high	95	Very high	1 Å²	1	36 Å²	36	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-42.8	174.6	0	0	0	0	0	111.7	A275 Q278 K308 Q309 R314 Q315 M316	A275-A312 HydrophobicContact CB-CB 4.24Å; Q278-A312 HydrophobicContact CB-CB 3.89Å; K308-A312 WeakPolarHBondContact O-CB 3.45Å; K308-A312 PolarHBondContact O-N 2.94Å; Q309-A312 PolarHBondContact O-N 3.34Å; A312-R314 VanDerWaalsContact C-N 3.34Å; A312-R314 PolarHBondContact O-N 2.96Å; A312-Q315 PolarHBondContact O-N 3.04Å; A312-M316 WeakPolarHBondContact O-CG 3.07Å; A312-M316 PolarHBondContact O-N 3.35Å; A312-M316 VanDerWaalsContact O-N 3.07Å
313	Y	95.7	Very high	94.8	Very high	12 Å²	12	41.3 Å²	41.3	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-38.1	176.3	-171.2	-129.5	0	0	0	112.7	Y279 Q309 A310 M316 S317 R322 P330 D332 L336	Y279-Y313 AromaticContact CD2-CD2 3.61Å; Y279-Y313 HydrophobicContact CD2-CD2 3.61Å; Y279-Y313 HydrophobicContact CD2-CE2 4.39Å; Y279-Y313 HydrophobicContact CD2-CG 4.12Å; Y279-Y313 AromaticContact CE2-CD2 3.58Å; Y279-Y313 HydrophobicContact CE2-CD2 3.58Å; Y279-Y313 AromaticContact CE2-CE2 3.91Å; Y279-Y313 HydrophobicContact CE2-CE2 3.91Å; Y279-Y313 HydrophobicContact CE2-CG 4.27Å; Q309-Y313 PolarHBondContact O-N 2.92Å; A310-Y313 PolarHBondContact O-N 3.4Å; Y313-M316 HydrophobicContact CD2-CE 3.75Å; Y313-M316 PolarHBondContact O-N 2.91Å; Y313-S317 WeakPolarHBondContact O-CB 3.23Å; Y313-S317 PolarHBondContact O-N 3.04Å; Y313-S317 PolarHBondContact O-OG 3.42Å; Y313-R322 PolarHBondContact OH-NH1 3.09Å; Y313-P330 HydrophobicContact CD1-CG 3.54Å; Y313-P330 HydrophobicContact CE1-CB 4.34Å; Y313-P330 HydrophobicContact CE1-CG 3.36Å; Y313-P330 HydrophobicContact CG-CG 4.49Å; Y313-D332 WeakPolarHBondContact CE1-OD1 3.42Å; Y313-D332 VanDerWaalsContact OH-CG 3.28Å; Y313-D332 PolarHBondContact OH-OD1 2.94Å; Y313-D332 PolarHBondContact OH-OD2 3.31Å; Y313-L336 HydrophobicContact CD1-CB 4.45Å; Y313-L336 HydrophobicContact CD1-CD1 4.38Å; Y313-L336 HydrophobicContact CD1-CD2 3.91Å; Y313-L336 HydrophobicContact CD1-CG 4.49Å; Y313-L336 HydrophobicContact CG-CD1 4.34Å; Y313-L336 HydrophobicContact CG-CD2 4.1Å
314	R	96.1	Very high	94.7	Very high	76 Å²	76	45.2 Å²	45.2	29%	0.287	22%	0.222	S	C	.	.	H	α-helix	trans	-59.1	-49.3	172.7	-177.4	176.7	69.9	179.1	-0.5	111.5	A310 V311 A312 M316 S317 L318 E327 A328 Y329	A310-R314 WeakPolarHBondContact O-CB 3.31Å; A310-R314 PolarHBondContact O-N 2.66Å; V311-R314 WeakPolarHBondContact O-CB 3.17Å; V311-R314 PolarHBondContact O-N 3.05Å; A312-R314 VanDerWaalsContact C-N 3.34Å; A312-R314 PolarHBondContact O-N 2.96Å; R314-M316 PolarHBondContact O-N 3.23Å; R314-S317 PolarHBondContact O-N 3.41Å; R314-L318 HydrophobicContact CG-CD1 3.97Å; R314-L318 HydrophobicContact CG-CG 4.43Å; R314-L318 VanDerWaalsContact O-CG 3.3Å; R314-L318 WeakPolarHBondContact O-CG 3.34Å; R314-L318 PolarHBondContact O-N 2.88Å; R314-E327 PolarHBondContact NH1-O 3.27Å; R314-A328 WeakPolarHBondContact CD-O 3.39Å; R314-A328 VanDerWaalsContact CG-O 3.23Å; R314-A328 WeakPolarHBondContact CG-O 3.41Å; R314-Y329 HydrophobicContact CB-CD1 3.79Å; R314-Y329 HydrophobicContact CB-CE1 4Å; R314-Y329 HydrophobicContact CG-CD1 4.23Å
315	Q	94.3	Very high	94.5	Very high	101 Å²	101	47 Å²	47	47%	0.472	24%	0.243	S	C	.	.	H	α-helix	trans	-56.9	-50.8	177.8	178.9	180	-12.5	0	0	111.1	V311 A312 S317 L318 L319	V311-Q315 PolarHBondContact O-N 2.59Å; A312-Q315 PolarHBondContact O-N 3.04Å; Q315-S317 VanDerWaalsContact C-N 3.33Å; Q315-S317 PolarHBondContact O-N 3.36Å; Q315-L318 PolarHBondContact O-N 3.33Å; Q315-L319 HydrophobicContact CG-CD1 3.95Å; Q315-L319 VanDerWaalsContact O-CG 3.3Å; Q315-L319 WeakPolarHBondContact O-CG 3.35Å; Q315-L319 PolarHBondContact O-N 3.23Å; Q315-L319 VanDerWaalsContact O-N 3.07Å
316	M	92.3	Very high	94.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-43.4	178.6	-67.5	-168.4	-57.5	0	0	112.3	V109 A275 P276 Y279 A312 Y313 R314 L318 L319 L320	V109-M316 HydrophobicContact CG1-SD 4.21Å; A275-M316 HydrophobicContact CB-CG 4.12Å; P276-M316 WeakPolarHBondContact CA-SD 3.46Å; P276-M316 HydrophobicContact CB-SD 3.79Å; P276-M316 HydrophobicContact CG-CG 4.4Å; P276-M316 HydrophobicContact CG-SD 3.61Å; Y279-M316 HydrophobicContact CD1-CE 3.84Å; Y279-M316 HydrophobicContact CD2-CE 3.63Å; Y279-M316 HydrophobicContact CE2-CE 4.3Å; Y279-M316 HydrophobicContact CG-CE 3.34Å; A312-M316 WeakPolarHBondContact O-CG 3.07Å; A312-M316 PolarHBondContact O-N 3.35Å; A312-M316 VanDerWaalsContact O-N 3.07Å; Y313-M316 HydrophobicContact CD2-CE 3.75Å; Y313-M316 PolarHBondContact O-N 2.91Å; R314-M316 PolarHBondContact O-N 3.23Å; M316-L318 PolarHBondContact O-N 3.44Å; M316-L319 PolarHBondContact O-N 2.67Å; M316-L320 WeakPolarHBondContact O-CB 3.25Å; M316-L320 WeakPolarHBondContact O-CG 3.45Å; M316-L320 PolarHBondContact O-N 3.3Å
317	S	93	Very high	94.1	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-40.8	-178.2	-62.6	0	0	0	0	112.5	Y313 R314 Q315 L320 R321 R322 P330	Y313-S317 WeakPolarHBondContact O-CB 3.23Å; Y313-S317 PolarHBondContact O-N 3.04Å; Y313-S317 PolarHBondContact O-OG 3.42Å; R314-S317 PolarHBondContact O-N 3.41Å; Q315-S317 VanDerWaalsContact C-N 3.33Å; Q315-S317 PolarHBondContact O-N 3.36Å; S317-L320 CarbonylContact O-C 3.55Å; S317-L320 PolarHBondContact O-N 2.9Å; S317-R321 PolarHBondContact O-N 3.33Å; S317-R322 WeakPolarHBondContact O-CB 3.49Å; S317-R322 PolarHBondContact O-N 3.09Å; S317-P330 WeakPolarHBondContact OG-CG 3.39Å
318	L	93.7	Very high	94.1	Very high	77 Å²	77	59.1 Å²	59.1	40%	0.403	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-41.3	176.5	-69.7	173.6	0	0	0	111.7	R314 Q315 M316 R321 P324	R314-L318 HydrophobicContact CG-CD1 3.97Å; R314-L318 HydrophobicContact CG-CG 4.43Å; R314-L318 VanDerWaalsContact O-CG 3.3Å; R314-L318 WeakPolarHBondContact O-CG 3.34Å; R314-L318 PolarHBondContact O-N 2.88Å; Q315-L318 PolarHBondContact O-N 3.33Å; M316-L318 PolarHBondContact O-N 3.44Å; L318-R321 WeakPolarHBondContact O-CA 3.34Å; L318-R321 PolarHBondContact O-N 3.04Å; L318-P324 HydrophobicContact CD2-CB 3.9Å; L318-P324 HydrophobicContact CD2-CG 4.28Å
319	L	91.8	Very high	94.1	Very high	59 Å²	59	57.5 Å²	57.5	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-68.8	-35	177.2	-68.4	173.7	0	0	0	112.1	D71 I73 Q315 M316 R321	D71-L319 HydrophobicContact CB-CD1 3.77Å; D71-L319 HydrophobicContact CB-CD2 3.76Å; D71-L319 HydrophobicContact CB-CG 4.4Å; D71-L319 WeakPolarHBondContact O-CD1 3.42Å; I73-L319 HydrophobicContact CD1-CB 3.31Å; I73-L319 HydrophobicContact CD1-CD1 4.45Å; I73-L319 HydrophobicContact CG1-CB 4.02Å; I73-L319 HydrophobicContact CG1-CD1 4.47Å; Q315-L319 HydrophobicContact CG-CD1 3.95Å; Q315-L319 VanDerWaalsContact O-CG 3.3Å; Q315-L319 WeakPolarHBondContact O-CG 3.35Å; Q315-L319 PolarHBondContact O-N 3.23Å; Q315-L319 VanDerWaalsContact O-N 3.07Å; M316-L319 PolarHBondContact O-N 2.67Å; L319-R321 PolarHBondContact O-N 2.71Å
320	L	89.6	Confident	93.9	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.063	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	0.5	168.4	-71.7	174.4	0	0	0	113.3	I73 L99 M316 S317 R322	I73-L320 HydrophobicContact CD1-CB 4.44Å; I73-L320 HydrophobicContact CD1-CD2 3.72Å; I73-L320 HydrophobicContact CD1-CG 3.61Å; I73-L320 HydrophobicContact CG2-CD2 3.84Å; L99-L320 HydrophobicContact CB-CD1 3.98Å; L99-L320 HydrophobicContact CD1-CD1 3.83Å; M316-L320 WeakPolarHBondContact O-CB 3.25Å; M316-L320 WeakPolarHBondContact O-CG 3.45Å; M316-L320 PolarHBondContact O-N 3.3Å; S317-L320 CarbonylContact O-C 3.55Å; S317-L320 PolarHBondContact O-N 2.9Å; L320-R322 HydrophobicContact CB-CG 4.26Å; L320-R322 PolarHBondContact O-N 3.27Å
321	R	89.8	Confident	93.7	Very high	205 Å²	205	60.9 Å²	60.9	77%	0.774	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	31.2	-177.7	-55.9	-173.4	177.1	179.2	0.7	113.5	S317 L318 L319	S317-R321 PolarHBondContact O-N 3.33Å; L318-R321 WeakPolarHBondContact O-CA 3.34Å; L318-R321 PolarHBondContact O-N 3.04Å; L319-R321 PolarHBondContact O-N 2.71Å
322	R	90.6	Very high	93.6	Very high	69 Å²	69	60.7 Å²	60.7	26%	0.26	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-69.9	143.1	168.7	-66.8	-175.2	175.8	-170.2	-1.2	109.1	L99 N100 Y313 S317 L320 D332	L99-R322 PolarHBondContact O-NH2 3.09Å; N100-R322 PolarHBondContact OD1-NE 2.75Å; N100-R322 VanDerWaalsContact OD1-NE 3.16Å; N100-R322 PolarHBondContact OD1-NH2 3.2Å; Y313-R322 PolarHBondContact OH-NH1 3.09Å; S317-R322 WeakPolarHBondContact O-CB 3.49Å; S317-R322 PolarHBondContact O-N 3.09Å; L320-R322 HydrophobicContact CB-CG 4.26Å; L320-R322 PolarHBondContact O-N 3.27Å; R322-D332 IonicContact NH1-OD2 3.79Å
323	P	94	Very high	93.6	Very high	111 Å²	111	60.7 Å²	60.7	72%	0.721	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-62.2	127.6	-179.2	24.4	-33.2	0	0	0	110.9
324	P	95.3	Very high	93.7	Very high	82 Å²	82	64 Å²	64	53%	0.532	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-79.6	155.3	176.8	31.4	-33.8	0	0	0	112.3	L318 A328	L318-P324 HydrophobicContact CD2-CB 3.9Å; L318-P324 HydrophobicContact CD2-CG 4.28Å; P324-A328 HydrophobicContact CB-CB 4.44Å
325	G	94.1	Very high	93.7	Very high	44 Å²	44	66.8 Å²	66.8	45%	0.454	35%	0.347	S	S	.	.			trans	-114.6	-145.1	172	0	0	0	0	0	112.6	A328 Y329	G325-A328 WeakPolarHBondContact O-CA 3.3Å; G325-A328 PolarHBondContact O-N 3.05Å; G325-A328 VanDerWaalsContact O-N 3.14Å; G325-Y329 WeakPolarHBondContact CA-O 3.47Å; G325-Y329 PolarHBondContact N-O 2.76Å
326	R	93.1	Very high	93.8	Very high	151 Å²	151	62.1 Å²	62.1	57%	0.57	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-59.2	136	179.9	-178.2	175.2	172.7	178.6	-2.4	111	A328 Y329 Y372	R326-A328 PolarHBondContact O-N 2.91Å; R326-A328 VanDerWaalsContact O-N 3.08Å; R326-Y329 PolarHBondContact O-N 3.07Å; R326-Y329 VanDerWaalsContact O-N 3.11Å; R326-Y372 HydrophobicContact CB-CD1 4.27Å; R326-Y372 HydrophobicContact CB-CE1 4.4Å; R326-Y372 HydrophobicContact CB-CG 4.5Å; R326-Y372 HydrophobicContact CG-CG 4.35Å
327	E	92.6	Very high	94.1	Very high	84 Å²	84	62 Å²	62	39%	0.393	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	54.4	26.5	-177.4	-65.2	164.9	-141.7	0	0	113.5	R314 Y329 Y372	R314-E327 PolarHBondContact NH1-O 3.27Å; E327-Y329 HydrophobicContact CB-CD2 3.79Å; E327-Y329 HydrophobicContact CB-CE2 3.93Å; E327-Y329 PolarHBondContact O-N 2.81Å; E327-Y372 WeakPolarHBondContact OE1-CB 3.41Å; E327-Y372 PolarHBondContact OE1-N 2.8Å
328	A	95.6	Very high	94.3	Very high	39 Å²	39	62.9 Å²	62.9	32%	0.322	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	62.7	11	-176.1	0	0	0	0	0	115.8	R314 P324 G325 R326	R314-A328 WeakPolarHBondContact CD-O 3.39Å; R314-A328 VanDerWaalsContact CG-O 3.23Å; R314-A328 WeakPolarHBondContact CG-O 3.41Å; P324-A328 HydrophobicContact CB-CB 4.44Å; G325-A328 WeakPolarHBondContact O-CA 3.3Å; G325-A328 PolarHBondContact O-N 3.05Å; G325-A328 VanDerWaalsContact O-N 3.14Å; R326-A328 PolarHBondContact O-N 2.91Å; R326-A328 VanDerWaalsContact O-N 3.08Å
329	Y	96.3	Very high	94.4	Very high	18 Å²	18	61.9 Å²	61.9	7%	0.071	32%	0.322	C	S	.	.			trans	-71.5	148.7	173.3	-71.8	-77.3	0	0	0	111.6	A310 R314 G325 R326 E327 V333 Y372 I373	A310-Y329 HydrophobicContact CB-CD1 4.37Å; A310-Y329 HydrophobicContact CB-CE1 3.66Å; A310-Y329 WeakPolarHBondContact O-CE1 3.5Å; R314-Y329 HydrophobicContact CB-CD1 3.79Å; R314-Y329 HydrophobicContact CB-CE1 4Å; R314-Y329 HydrophobicContact CG-CD1 4.23Å; G325-Y329 WeakPolarHBondContact CA-O 3.47Å; G325-Y329 PolarHBondContact N-O 2.76Å; R326-Y329 PolarHBondContact O-N 3.07Å; R326-Y329 VanDerWaalsContact O-N 3.11Å; E327-Y329 HydrophobicContact CB-CD2 3.79Å; E327-Y329 HydrophobicContact CB-CE2 3.93Å; E327-Y329 PolarHBondContact O-N 2.81Å; Y329-V333 HydrophobicContact CD1-CG2 3.93Å; Y329-V333 HydrophobicContact CG-CG2 4.37Å; Y329-Y372 AromaticContact CD2-CD1 3.9Å; Y329-Y372 HydrophobicContact CD2-CD1 3.9Å; Y329-Y372 HydrophobicContact CG-CD1 4.39Å; Y329-I373 HydrophobicContact CD1-CD1 4.02Å; Y329-I373 HydrophobicContact CD2-CD1 4.05Å; Y329-I373 HydrophobicContact CD2-CG1 4.28Å; Y329-I373 HydrophobicContact CE1-CD1 3.9Å; Y329-I373 HydrophobicContact CE1-CG1 4.03Å; Y329-I373 HydrophobicContact CE2-CD1 3.92Å; Y329-I373 HydrophobicContact CE2-CG1 3.65Å; Y329-I373 HydrophobicContact CG-CD1 4.1Å
330	P	94.7	Very high	94.7	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.026	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-67.6	154.6	174.1	33.4	-38.5	0	0	0	110.8	Y313 S317 D332 V333	Y313-P330 HydrophobicContact CD1-CG 3.54Å; Y313-P330 HydrophobicContact CE1-CB 4.34Å; Y313-P330 HydrophobicContact CE1-CG 3.36Å; Y313-P330 HydrophobicContact CG-CG 4.49Å; S317-P330 WeakPolarHBondContact OG-CG 3.39Å; P330-D332 WeakPolarHBondContact CB-OD1 2.83Å; P330-D332 PolarHBondContact O-N 2.94Å; P330-D332 VanDerWaalsContact O-N 3.09Å; P330-V333 HydrophobicContact CG-CB 4.37Å; P330-V333 WeakPolarHBondContact O-CB 3.36Å; P330-V333 WeakPolarHBondContact O-CG1 3.14Å; P330-V333 PolarHBondContact O-N 2.81Å; P330-V333 VanDerWaalsContact O-N 3.09Å
331	G	93.3	Very high	95.1	Very high	68 Å²	68	58.5 Å²	58.5	70%	0.701	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.1	-175.5	0	0	0	0	0	114.9
332	D	94.9	Very high	95.4	Very high	55 Å²	55	51.7 Å²	51.7	29%	0.294	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	12.3	179.7	65.4	-21.6	0	0	0	113.6	Y313 R322 P330 F334 Y335 L336	Y313-D332 WeakPolarHBondContact CE1-OD1 3.42Å; Y313-D332 VanDerWaalsContact OH-CG 3.28Å; Y313-D332 PolarHBondContact OH-OD1 2.94Å; Y313-D332 PolarHBondContact OH-OD2 3.31Å; R322-D332 IonicContact NH1-OD2 3.79Å; P330-D332 WeakPolarHBondContact CB-OD1 2.83Å; P330-D332 PolarHBondContact O-N 2.94Å; P330-D332 VanDerWaalsContact O-N 3.09Å; D332-F334 PolarHBondContact O-N 2.98Å; D332-Y335 WeakPolarHBondContact O-CA 3.4Å; D332-Y335 WeakPolarHBondContact O-CB 3.37Å; D332-Y335 PolarHBondContact O-N 3.26Å; D332-L336 PolarHBondContact O-N 3.11Å
333	V	95.8	Very high	95.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-28.8	176.5	71	0	0	0	0	112.8	A310 Y329 P330 L336 Y372 I373	A310-V333 HydrophobicContact CB-CG2 4.31Å; Y329-V333 HydrophobicContact CD1-CG2 3.93Å; Y329-V333 HydrophobicContact CG-CG2 4.37Å; P330-V333 HydrophobicContact CG-CB 4.37Å; P330-V333 WeakPolarHBondContact O-CB 3.36Å; P330-V333 WeakPolarHBondContact O-CG1 3.14Å; P330-V333 PolarHBondContact O-N 2.81Å; P330-V333 VanDerWaalsContact O-N 3.09Å; V333-L336 WeakPolarHBondContact O-CB 3.49Å; V333-Y372 HydrophobicContact CG1-CD1 4.39Å; V333-Y372 HydrophobicContact CG1-CE1 3.53Å; V333-I373 HydrophobicContact CG1-CD1 4.32Å; V333-I373 HydrophobicContact CG2-CD1 3.7Å
334	F	97	Very high	95.9	Very high	83 Å²	83	43.3 Å²	43.3	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-65.4	-45.5	171.5	-178.2	-89.4	0	0	0	111.1	D332 L336 H337 S338 N376 S379 I380	D332-F334 PolarHBondContact O-N 2.98Å; F334-L336 VanDerWaalsContact C-N 3.27Å; F334-L336 PolarHBondContact O-N 3.44Å; F334-H337 PolarHBondContact O-N 3.33Å; F334-S338 WeakPolarHBondContact O-CB 3.4Å; F334-S338 PolarHBondContact O-N 2.87Å; F334-S338 PolarHBondContact O-OG 3.47Å; F334-N376 HydrophobicContact CD2-CB 3.94Å; F334-S379 WeakPolarHBondContact CE2-OG 3.48Å; F334-I380 HydrophobicContact CD2-CD1 4.17Å; F334-I380 HydrophobicContact CE2-CD1 3.81Å; F334-I380 HydrophobicContact CE2-CG1 3.73Å; F334-I380 HydrophobicContact CZ-CD1 4.09Å; F334-I380 HydrophobicContact CZ-CG1 3.74Å
335	Y	96.5	Very high	96	Very high	134 Å²	134	39.6 Å²	39.6	53%	0.525	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-35.2	179.9	179.6	-118.1	0	0	0	112.2	D332 S338 R339	D332-Y335 WeakPolarHBondContact O-CA 3.4Å; D332-Y335 WeakPolarHBondContact O-CB 3.37Å; D332-Y335 PolarHBondContact O-N 3.26Å; Y335-S338 WeakPolarHBondContact CA-OG 3.47Å; Y335-S338 PolarHBondContact O-OG 2.92Å; Y335-R339 HydrophobicContact CD2-CB 4.38Å; Y335-R339 HydrophobicContact CE2-CB 4.01Å; Y335-R339 WeakPolarHBondContact O-CB 3.43Å; Y335-R339 WeakPolarHBondContact O-CG 3.34Å; Y335-R339 PolarHBondContact O-N 3.31Å
336	L	95.9	Very high	96.2	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-52.2	-56.4	172.4	175.8	82.2	0	0	0	111.6	Y279 Y283 Y313 D332 V333 F334 L340	Y279-L336 HydrophobicContact CD2-CD1 3.71Å; Y279-L336 HydrophobicContact CE2-CD1 3.29Å; Y283-L336 HydrophobicContact CE2-CD1 3.92Å; Y283-L336 WeakPolarHBondContact OH-CD1 3.49Å; Y283-L336 PolarHBondContact OH-O 3.31Å; Y313-L336 HydrophobicContact CD1-CB 4.45Å; Y313-L336 HydrophobicContact CD1-CD1 4.38Å; Y313-L336 HydrophobicContact CD1-CD2 3.91Å; Y313-L336 HydrophobicContact CD1-CG 4.49Å; Y313-L336 HydrophobicContact CG-CD1 4.34Å; Y313-L336 HydrophobicContact CG-CD2 4.1Å; D332-L336 PolarHBondContact O-N 3.11Å; V333-L336 WeakPolarHBondContact O-CB 3.49Å; F334-L336 VanDerWaalsContact C-N 3.27Å; F334-L336 PolarHBondContact O-N 3.44Å; L336-L340 PolarHBondContact O-N 3.32Å
337	H	97.8	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-77.1	-34	-177.1	-65.6	154.2	0	0	0	112.5	F334 L340 L341 I380	F334-H337 PolarHBondContact O-N 3.33Å; H337-L340 PolarHBondContact O-N 3.13Å; H337-L341 WeakPolarHBondContact O-CB 3.39Å; H337-L341 WeakPolarHBondContact O-CG 3.43Å; H337-L341 PolarHBondContact O-N 3.37Å; H337-I380 HydrophobicContact CB-CD1 3.93Å
338	S	97	Very high	96.6	Very high	22 Å²	22	28.9 Å²	28.9	15%	0.154	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-45.8	-179.6	73	0	0	0	0	111.3	F334 Y335 L340 L341 E342	F334-S338 WeakPolarHBondContact O-CB 3.4Å; F334-S338 PolarHBondContact O-N 2.87Å; F334-S338 PolarHBondContact O-OG 3.47Å; Y335-S338 WeakPolarHBondContact CA-OG 3.47Å; Y335-S338 PolarHBondContact O-OG 2.92Å; S338-L340 VanDerWaalsContact C-N 3.25Å; S338-L340 PolarHBondContact O-N 2.76Å; S338-L341 PolarHBondContact O-N 2.96Å; S338-E342 VanDerWaalsContact O-CB 3.23Å; S338-E342 WeakPolarHBondContact O-CB 3.49Å; S338-E342 WeakPolarHBondContact O-CG 3.45Å; S338-E342 PolarHBondContact O-N 3.48Å
339	R	96.5	Very high	96.6	Very high	57 Å²	57	33.4 Å²	33.4	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-26.6	178.9	81.4	-172.5	178.7	161.7	-3.5	112.8	E85 Y279 Y283 Y335 R343	E85-R339 IonicContact OE1-NH1 3.82Å; E85-R339 PolarHBondContact OE1-NH1 3.42Å; Y279-R339 PolarHBondContact OH-NH2 3.46Å; Y283-R339 HydrophobicContact CE1-CG 4.02Å; Y283-R339 PolarHBondContact OH-NE 3.27Å; Y283-R339 PolarHBondContact OH-NH2 3Å; Y283-R339 VanDerWaalsContact OH-NH2 3.12Å; Y335-R339 HydrophobicContact CD2-CB 4.38Å; Y335-R339 HydrophobicContact CE2-CB 4.01Å; Y335-R339 WeakPolarHBondContact O-CB 3.43Å; Y335-R339 WeakPolarHBondContact O-CG 3.34Å; Y335-R339 PolarHBondContact O-N 3.31Å; R339-R343 WeakPolarHBondContact O-CD 3.46Å; R339-R343 WeakPolarHBondContact O-CG 3.25Å
340	L	97.9	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.1	-57	173.1	174.9	67.4	0	0	0	110.9	P282 Y283 C286 Y303 L306 L336 H337 S338 E342 R343	P282-L340 HydrophobicContact CB-CD1 4.02Å; P282-L340 HydrophobicContact CB-CD2 3.56Å; P282-L340 HydrophobicContact CB-CG 4.46Å; P282-L340 WeakPolarHBondContact O-CD1 3.35Å; Y283-L340 HydrophobicContact CD1-CD1 3.99Å; Y283-L340 HydrophobicContact CE1-CB 3.99Å; Y283-L340 HydrophobicContact CE1-CD1 4.21Å; C286-L340 HydrophobicContact CB-CD1 3.94Å; Y303-L340 HydrophobicContact CE1-CD1 4.2Å; Y303-L340 HydrophobicContact CE1-CD2 4.3Å; L306-L340 HydrophobicContact CD1-CD2 4.47Å; L306-L340 HydrophobicContact CD2-CD2 3.85Å; L336-L340 PolarHBondContact O-N 3.32Å; H337-L340 PolarHBondContact O-N 3.13Å; S338-L340 VanDerWaalsContact C-N 3.25Å; S338-L340 PolarHBondContact O-N 2.76Å; L340-E342 PolarHBondContact O-N 2.88Å; L340-R343 WeakPolarHBondContact O-CB 3.35Å; L340-R343 PolarHBondContact O-N 3.01Å
341	L	98	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.1	-28.6	-171	-66.3	174.6	0	0	0	112.8	R199 Y303 L306 H337 S338 R343 A344 A358 P360 V377 I380 T381	R199-L341 WeakPolarHBondContact CD-O 3.38Å; Y303-L341 HydrophobicContact CD2-CD2 4.2Å; Y303-L341 HydrophobicContact CE2-CD2 3.83Å; L306-L341 HydrophobicContact CD1-CD1 4.34Å; L306-L341 HydrophobicContact CD1-CD2 4.26Å; H337-L341 WeakPolarHBondContact O-CB 3.39Å; H337-L341 WeakPolarHBondContact O-CG 3.43Å; H337-L341 PolarHBondContact O-N 3.37Å; S338-L341 PolarHBondContact O-N 2.96Å; L341-R343 PolarHBondContact O-N 2.83Å; L341-A344 WeakPolarHBondContact O-CB 3.32Å; L341-A344 PolarHBondContact O-N 3.07Å; L341-A358 HydrophobicContact CD2-CB 4.45Å; L341-P360 HydrophobicContact CD1-CG 4.36Å; L341-P360 HydrophobicContact CD2-CB 4.09Å; L341-P360 HydrophobicContact CD2-CG 3.96Å; L341-V377 HydrophobicContact CD1-CG1 4.11Å; L341-I380 HydrophobicContact CB-CG2 3.78Å; L341-I380 HydrophobicContact CD1-CB 4.39Å; L341-I380 HydrophobicContact CD1-CG2 3.77Å; L341-I380 HydrophobicContact CG-CG2 4.4Å; L341-T381 HydrophobicContact CD1-CG2 3.91Å
342	E	97.4	Very high	96.6	Very high	61 Å²	61	43 Å²	43	29%	0.285	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12	174.9	-80.1	-66.5	153.4	0	0	114.2	A168 R174 R199 S338 L340 A344	A168-E342 HydrophobicContact CB-CB 4.06Å; A168-E342 WeakPolarHBondContact CB-O 3.35Å; R174-E342 IonicContact CZ-OE2 3Å; R174-E342 IonicContact NH1-OE2 3.4Å; R174-E342 PolarHBondContact NH1-OE2 2.84Å; R174-E342 PolarHBondContact NH2-O 3.32Å; R174-E342 IonicContact NH2-OE2 2.7Å; R174-E342 PolarHBondContact NH2-OE2 3.17Å; R174-E342 VanDerWaalsContact NH2-OE2 3.13Å; R199-E342 IonicContact CZ-OE1 2.57Å; R199-E342 IonicContact NH1-OE1 2.68Å; R199-E342 PolarHBondContact NH1-OE1 3.03Å; R199-E342 IonicContact NH1-OE2 3.59Å; R199-E342 PolarHBondContact NH1-OE2 3.07Å; S338-E342 VanDerWaalsContact O-CB 3.23Å; S338-E342 WeakPolarHBondContact O-CB 3.49Å; S338-E342 WeakPolarHBondContact O-CG 3.45Å; S338-E342 PolarHBondContact O-N 3.48Å; L340-E342 PolarHBondContact O-N 2.88Å; E342-A344 VanDerWaalsContact C-N 3.31Å
343	R	97.8	Very high	96.6	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.011	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.5	173.9	-69.8	166.5	66.5	-176.5	0.7	112.6	V164 A168 C286 E290 R293 R339 L340 L341 A345	V164-R343 PolarHBondContact O-NH1 3.02Å; V164-R343 PolarHBondContact O-NH2 3.4Å; A168-R343 HydrophobicContact CB-CG 3.96Å; C286-R343 VanDerWaalsContact SG-CZ 3.53Å; C286-R343 PolarHBondContact SG-NE 3.2Å; C286-R343 VanDerWaalsContact SG-NE 3.4Å; E290-R343 VanDerWaalsContact CD-NH2 3.35Å; E290-R343 IonicContact OE1-CZ 2.66Å; E290-R343 IonicContact OE1-NE 3.05Å; E290-R343 PolarHBondContact OE1-NE 2.94Å; E290-R343 IonicContact OE1-NH2 3.78Å; E290-R343 IonicContact OE2-CZ 3.23Å; E290-R343 IonicContact OE2-NE 2.66Å; E290-R343 PolarHBondContact OE2-NE 3.03Å; E290-R343 IonicContact OE2-NH2 3.31Å; E290-R343 PolarHBondContact OE2-NH2 3.12Å; R293-R343 PolarHBondContact NH1-O 3.14Å; R339-R343 WeakPolarHBondContact O-CD 3.46Å; R339-R343 WeakPolarHBondContact O-CG 3.25Å; L340-R343 WeakPolarHBondContact O-CB 3.35Å; L340-R343 PolarHBondContact O-N 3.01Å; L341-R343 PolarHBondContact O-N 2.83Å; R343-A345 PolarHBondContact O-N 3.39Å
344	A	97.4	Very high	96.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	21%	0.213	C	C	.	.			trans	-77.4	111.4	172.9	0	0	0	0	0	109.9	R199 L341 E342 L356 A358	R199-A344 HydrophobicContact CG-CB 3.93Å; L341-A344 WeakPolarHBondContact O-CB 3.32Å; L341-A344 PolarHBondContact O-N 3.07Å; E342-A344 VanDerWaalsContact C-N 3.31Å; A344-L356 CarbonylContact C-O 3.57Å; A344-L356 VanDerWaalsContact CA-O 3.31Å; A344-L356 WeakPolarHBondContact CA-O 3.37Å; A344-L356 HydrophobicContact CB-CD2 4.42Å; A344-L356 HydrophobicContact CB-CG 4.19Å; A344-L356 VanDerWaalsContact CB-O 3.28Å; A344-L356 WeakPolarHBondContact CB-O 3.33Å; A344-A358 HydrophobicContact CB-CB 3.6Å
345	A	97.3	Very high	96.6	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.041	20%	0.196	C	C	.	.			trans	-154.4	163.9	-177.7	0	0	0	0	0	111.8	R174 R343 S355 L356	R174-A345 HydrophobicContact CG-CB 4.1Å; R343-A345 PolarHBondContact O-N 3.39Å; A345-S355 WeakPolarHBondContact O-CA 3.19Å; A345-L356 PolarHBondContact N-O 3.13Å; A345-L356 PolarHBondContact O-N 3.25Å
346	K	97.8	Very high	96.7	Very high	15 Å²	15	30.5 Å²	30.5	7%	0.065	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-95.6	119	166.8	-179.9	71.2	170.9	77.2	0	109.3	R174 I175 V177 E179 G353	R174-K346 WeakPolarHBondContact CA-O 3.34Å; I175-K346 HydrophobicContact CG2-CB 4.35Å; I175-K346 HydrophobicContact CG2-CG 3.52Å; I175-K346 PolarHBondContact N-O 3Å; V177-K346 HydrophobicContact CG2-CB 4.39Å; E179-K346 VanDerWaalsContact OE1-CE 3.26Å; E179-K346 WeakPolarHBondContact OE1-CE 3.49Å; E179-K346 IonicContact OE1-NZ 3.63Å; K346-G353 PolarHBondContact NZ-O 3.35Å
347	M	97.8	Very high	96.9	Very high	9 Å²	9	30.3 Å²	30.3	4%	0.044	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-78	150.5	176.1	-56.3	-58.2	-73.7	0	0	110.3	P169 P173 I175 R293 Y351 G353 G354	P169-M347 HydrophobicContact CB-CE 4.25Å; P169-M347 HydrophobicContact CB-SD 3.92Å; P169-M347 HydrophobicContact CG-CE 4.41Å; P169-M347 HydrophobicContact CG-SD 3.81Å; P173-M347 HydrophobicContact CB-CE 3.66Å; P173-M347 CarbonylContact O-C 3.47Å; P173-M347 WeakPolarHBondContact O-CA 3.37Å; I175-M347 WeakPolarHBondContact CG2-O 3.46Å; R293-M347 HydrophobicContact CG-CG 3.78Å; M347-Y351 HydrophobicContact CE-CD1 4.21Å; M347-Y351 HydrophobicContact CE-CG 3.94Å; M347-G353 WeakPolarHBondContact O-CA 3.39Å; M347-G354 PolarHBondContact N-O 2.75Å
348	N	96.5	Very high	96.9	Very high	30 Å²	30	30.3 Å²	30.3	16%	0.16	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-74.4	171.9	172.2	76.4	24.5	0	0	0	111.2	I172 P173 I175 S350 Y351 G352 G353	I172-N348 PolarHBondContact O-ND2 3.09Å; I172-N348 VanDerWaalsContact O-ND2 3.17Å; P173-N348 PolarHBondContact O-N 3.2Å; I175-N348 HydrophobicContact CB-CB 4.14Å; N348-S350 VanDerWaalsContact C-N 3.28Å; N348-S350 PolarHBondContact O-N 3.45Å; N348-S350 WeakPolarHBondContact OD1-CA 3.23Å; N348-S350 WeakPolarHBondContact OD1-CB 3.38Å; N348-S350 PolarHBondContact OD1-N 3.36Å; N348-Y351 CarbonylContact O-C 3.57Å; N348-Y351 PolarHBondContact O-N 3.37Å; N348-Y351 VanDerWaalsContact O-N 3.14Å; N348-Y351 WeakPolarHBondContact OD1-CD2 3.4Å; N348-Y351 PolarHBondContact OD1-N 2.99Å; N348-Y351 VanDerWaalsContact OD1-N 3.08Å; N348-G352 PolarHBondContact O-N 3.13Å; N348-G353 WeakPolarHBondContact O-CA 3.42Å; N348-G353 PolarHBondContact O-N 3Å
349	D	94.6	Very high	97	Very high	134 Å²	134	29.3 Å²	29.3	72%	0.717	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-66.1	-29.4	-175.2	-57.9	-28.7	0	0	0	112.9	Y351 G352	D349-Y351 PolarHBondContact O-N 3.48Å; D349-G352 PolarHBondContact O-N 2.92Å; D349-G352 VanDerWaalsContact O-N 3.12Å
350	S	95.4	Very high	97.1	Very high	112 Å²	112	26.6 Å²	26.6	78%	0.783	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-67.5	-23.1	176	-51.7	0	0	0	0	113.3	N348	N348-S350 VanDerWaalsContact C-N 3.28Å; N348-S350 PolarHBondContact O-N 3.45Å; N348-S350 WeakPolarHBondContact OD1-CA 3.23Å; N348-S350 WeakPolarHBondContact OD1-CB 3.38Å; N348-S350 PolarHBondContact OD1-N 3.36Å
351	Y	94.8	Very high	97.1	Very high	133 Å²	133	26.6 Å²	26.6	52%	0.522	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-105.9	26.9	173.3	-70.6	-90.6	0	0	0	111.8	P173 M347 N348 D349 G353	P173-Y351 HydrophobicContact CB-CD2 3.72Å; P173-Y351 HydrophobicContact CB-CE2 3.69Å; P173-Y351 HydrophobicContact CB-CG 4.23Å; P173-Y351 HydrophobicContact CG-CD2 4.46Å; P173-Y351 HydrophobicContact CG-CE2 3.92Å; M347-Y351 HydrophobicContact CE-CD1 4.21Å; M347-Y351 HydrophobicContact CE-CG 3.94Å; N348-Y351 CarbonylContact O-C 3.57Å; N348-Y351 PolarHBondContact O-N 3.37Å; N348-Y351 VanDerWaalsContact O-N 3.14Å; N348-Y351 WeakPolarHBondContact OD1-CD2 3.4Å; N348-Y351 PolarHBondContact OD1-N 2.99Å; N348-Y351 VanDerWaalsContact OD1-N 3.08Å; D349-Y351 PolarHBondContact O-N 3.48Å; Y351-G353 VanDerWaalsContact C-N 3.34Å; Y351-G353 PolarHBondContact O-N 3.39Å
352	G	93.7	Very high	97.1	Very high	47 Å²	47	26.6 Å²	26.6	49%	0.485	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-5.4	173.4	0	0	0	0	0	115.6	G296 N348 D349 G354	G296-G352 VanDerWaalsContact CA-O 3.23Å; G296-G352 WeakPolarHBondContact CA-O 3.49Å; N348-G352 PolarHBondContact O-N 3.13Å; D349-G352 PolarHBondContact O-N 2.92Å; D349-G352 VanDerWaalsContact O-N 3.12Å; G352-G354 VanDerWaalsContact C-N 3.25Å; G352-G354 PolarHBondContact O-N 3.02Å
353	G	94.7	Very high	97	Very high	8 Å²	8	26 Å²	26	8%	0.082	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	11.5	173.4	0	0	0	0	0	115.4	K346 M347 N348 Y351	K346-G353 PolarHBondContact NZ-O 3.35Å; M347-G353 WeakPolarHBondContact O-CA 3.39Å; N348-G353 WeakPolarHBondContact O-CA 3.42Å; N348-G353 PolarHBondContact O-N 3Å; Y351-G353 VanDerWaalsContact C-N 3.34Å; Y351-G353 PolarHBondContact O-N 3.39Å
354	G	96.9	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.			trans	-71	170.2	179.3	0	0	0	0	0	113.5	R293 K297 M347 G352	R293-G354 VanDerWaalsContact O-CA 3.31Å; R293-G354 WeakPolarHBondContact O-CA 3.31Å; K297-G354 CarbonylContact O-C 3.47Å; K297-G354 WeakPolarHBondContact O-CA 3.4Å; M347-G354 PolarHBondContact N-O 2.75Å; G352-G354 VanDerWaalsContact C-N 3.25Å; G352-G354 PolarHBondContact O-N 3.02Å
355	S	97.8	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.4	-179.5	69.5	0	0	0	0	112.6	K297 H298 A299 A345	K297-S355 PolarHBondContact O-N 2.9Å; H298-S355 CarbonylContact C-O 3.57Å; H298-S355 WeakPolarHBondContact CA-O 3.36Å; H298-S355 WeakPolarHBondContact CB-OG 3.37Å; H298-S355 PolarHBondContact ND1-OG 2.96Å; A299-S355 PolarHBondContact N-O 3.45Å; A345-S355 WeakPolarHBondContact O-CA 3.19Å
356	L	98.4	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.4	164.7	179.7	63.4	0	0	0	108.9	G197 E290 R293 A299 I301 A344 A345	G197-L356 WeakPolarHBondContact CA-O 3.47Å; E290-L356 HydrophobicContact CG-CD2 4.28Å; R293-L356 HydrophobicContact CB-CB 4.28Å; R293-L356 HydrophobicContact CG-CB 4.42Å; A299-L356 HydrophobicContact CB-CD1 3.78Å; I301-L356 HydrophobicContact CB-CD1 4.15Å; I301-L356 HydrophobicContact CG2-CD1 3.88Å; I301-L356 HydrophobicContact CG2-CG 4.22Å; A344-L356 CarbonylContact C-O 3.57Å; A344-L356 VanDerWaalsContact CA-O 3.31Å; A344-L356 WeakPolarHBondContact CA-O 3.37Å; A344-L356 HydrophobicContact CB-CD2 4.42Å; A344-L356 HydrophobicContact CB-CG 4.19Å; A344-L356 VanDerWaalsContact CB-O 3.28Å; A344-L356 WeakPolarHBondContact CB-O 3.33Å; A345-L356 PolarHBondContact N-O 3.13Å; A345-L356 PolarHBondContact O-N 3.25Å
357	T	98.6	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.2	177.2	-45.7	0	0	0	0	108.7	M181 I194 G195 R196 G197 Q198 A299 L300 I301	M181-T357 HydrophobicContact CE-CG2 4.35Å; M181-T357 HydrophobicContact CG-CG2 4.46Å; I194-T357 HydrophobicContact CG2-CG2 4Å; G195-T357 WeakPolarHBondContact O-CG2 3.45Å; R196-T357 WeakPolarHBondContact CA-OG1 3.47Å; G197-T357 PolarHBondContact N-OG1 2.9Å; Q198-T357 WeakPolarHBondContact O-CG2 3.46Å; A299-T357 PolarHBondContact O-N 3.15Å; L300-T357 CarbonylContact C-O 3.33Å; L300-T357 WeakPolarHBondContact CA-O 3.26Å; L300-T357 HydrophobicContact CD1-CG2 4.02Å; I301-T357 WeakPolarHBondContact CG2-O 3.37Å; I301-T357 PolarHBondContact N-O 3.13Å
358	A	98.5	Very high	95.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.2	-176.6	0	0	0	0	0	112.4	Q198 R199 E200 I301 Y303 L341 A344 P360	Q198-A358 PolarHBondContact O-N 2.98Å; R199-A358 CarbonylContact C-O 3.6Å; R199-A358 VanDerWaalsContact CA-O 3.31Å; R199-A358 WeakPolarHBondContact CA-O 3.3Å; R199-A358 HydrophobicContact CG-CB 4.08Å; E200-A358 PolarHBondContact N-O 2.93Å; I301-A358 HydrophobicContact CG2-CB 3.89Å; I301-A358 CarbonylContact O-C 3.56Å; I301-A358 WeakPolarHBondContact O-CA 3.47Å; Y303-A358 HydrophobicContact CE2-CB 4.06Å; L341-A358 HydrophobicContact CD2-CB 4.45Å; A344-A358 HydrophobicContact CB-CB 3.6Å; A358-P360 VanDerWaalsContact C-CD 3.48Å; A358-P360 WeakPolarHBondContact O-CD 3.07Å
359	L	98.5	Very high	94.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	80.9	172.2	-58	-178.3	0	0	0	109.5	M181 I194 E200 I202 T217 L300 I301 I302 Y303	M181-L359 HydrophobicContact CE-CD1 4.23Å; M181-L359 HydrophobicContact CE-CD2 4.49Å; I194-L359 HydrophobicContact CD1-CD2 3.71Å; I194-L359 HydrophobicContact CG2-CD2 4.28Å; E200-L359 HydrophobicContact CB-CD2 3.81Å; E200-L359 WeakPolarHBondContact O-CA 3.34Å; I202-L359 HydrophobicContact CD1-CB 4.36Å; T217-L359 HydrophobicContact CG2-CD1 4.11Å; L300-L359 HydrophobicContact CD1-CD1 3.84Å; L300-L359 HydrophobicContact CD1-CG 3.81Å; L300-L359 HydrophobicContact CD2-CD1 4.46Å; I301-L359 PolarHBondContact O-N 3.4Å; I302-L359 WeakPolarHBondContact CA-O 3.35Å; I302-L359 HydrophobicContact CG1-CB 3.91Å; I302-L359 HydrophobicContact CG1-CD1 4.09Å; I302-L359 HydrophobicContact CG1-CG 4.43Å; Y303-L359 PolarHBondContact N-O 3.36Å; Y303-L359 VanDerWaalsContact N-O 3.13Å
360	P	98.4	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.2	172.2	26.3	-31.2	0	0	0	110.8	E200 L201 I202 Y303 L306 L341 A358 T381	E200-P360 WeakPolarHBondContact O-CD 3.37Å; L201-P360 HydrophobicContact CB-CG 4.5Å; L201-P360 HydrophobicContact CD1-CB 4.35Å; L201-P360 HydrophobicContact CD1-CG 4.17Å; L201-P360 WeakPolarHBondContact CD1-O 3.3Å; I202-P360 PolarHBondContact N-O 2.82Å; Y303-P360 HydrophobicContact CD2-CB 4.13Å; L306-P360 HydrophobicContact CD1-CB 3.51Å; L306-P360 HydrophobicContact CG-CB 4.2Å; L341-P360 HydrophobicContact CD1-CG 4.36Å; L341-P360 HydrophobicContact CD2-CB 4.09Å; L341-P360 HydrophobicContact CD2-CG 3.96Å; A358-P360 VanDerWaalsContact C-CD 3.48Å; A358-P360 WeakPolarHBondContact O-CD 3.07Å; P360-T381 HydrophobicContact CG-CG2 3.7Å
361	V	98.4	Very high	94.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.4	169.6	-175.9	0	0	0	0	108.7	I202 K210 I302 Y303 D304 D305 L306	I202-V361 HydrophobicContact CB-CG2 4.36Å; I202-V361 CarbonylContact O-C 3.57Å; I202-V361 VanDerWaalsContact O-CA 3.3Å; I202-V361 WeakPolarHBondContact O-CA 3.47Å; K210-V361 HydrophobicContact CB-CG1 3.91Å; K210-V361 HydrophobicContact CD-CG1 3.69Å; K210-V361 HydrophobicContact CG-CG1 4.39Å; I302-V361 HydrophobicContact CG2-CG2 4.48Å; Y303-V361 WeakPolarHBondContact O-CA 3.28Å; Y303-V361 WeakPolarHBondContact O-CB 3.41Å; Y303-V361 WeakPolarHBondContact O-CG2 3.47Å; Y303-V361 PolarHBondContact O-N 3.26Å; D304-V361 HydrophobicContact CB-CG2 4.28Å; D305-V361 HydrophobicContact CB-CB 3.99Å; D305-V361 HydrophobicContact CB-CG1 4.03Å; D305-V361 VanDerWaalsContact CB-O 3.31Å; D305-V361 WeakPolarHBondContact CB-O 3.46Å; L306-V361 PolarHBondContact N-O 3.44Å
362	I	97.6	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.7	170.8	-72.3	-65.7	0	0	0	109.4	L201 I202 I203 G204 L306 I373 P374 V377	L201-I362 HydrophobicContact CD1-CB 3.89Å; L201-I362 HydrophobicContact CD1-CG1 3.57Å; I202-I362 PolarHBondContact O-N 3.05Å; I203-I362 WeakPolarHBondContact CA-O 3.17Å; I203-I362 HydrophobicContact CD1-CG2 4.22Å; I203-I362 HydrophobicContact CG1-CB 4.45Å; I203-I362 HydrophobicContact CG1-CG2 4.22Å; G204-I362 PolarHBondContact N-O 3.49Å; L306-I362 HydrophobicContact CB-CD1 3.69Å; I362-I373 HydrophobicContact CD1-CG2 4.08Å; I362-P374 HydrophobicContact CG2-CB 4.38Å; I362-P374 HydrophobicContact CG2-CG 3.97Å; I362-V377 HydrophobicContact CD1-CG2 4.04Å; I362-V377 HydrophobicContact CG1-CB 4.22Å; I362-V377 HydrophobicContact CG1-CG1 4.17Å; I362-V377 HydrophobicContact CG1-CG2 4.19Å
363	E	95.9	Very high	94.5	Very high	49 Å²	49	28.5 Å²	28.5	23%	0.229	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.3	169.9	-173.5	177.4	129.3	0	0	109.8	G204 D305 S307 K308 Q365	G204-E363 WeakPolarHBondContact O-CA 3.35Å; D305-E363 WeakPolarHBondContact OD2-CB 3.33Å; S307-E363 PolarHBondContact OG-N 3.39Å; S307-E363 PolarHBondContact OG-O 2.93Å; K308-E363 IonicContact NZ-OE2 3.76Å; E363-Q365 PolarHBondContact OE1-NE2 3.28Å
364	T	94.5	Very high	94.6	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	18%	0.175	C	C	.	.			trans	-85.7	160.4	168.3	49.6	0	0	0	0	110.7	I203 G204 D205 P374	I203-T364 HydrophobicContact CD1-CG2 3.66Å; I203-T364 HydrophobicContact CG1-CG2 3.55Å; G204-T364 WeakPolarHBondContact CA-OG1 3.41Å; G204-T364 PolarHBondContact O-N 3.2Å; G204-T364 PolarHBondContact O-OG1 3.27Å; D205-T364 PolarHBondContact N-OG1 2.83Å; D205-T364 VanDerWaalsContact N-OG1 3.15Å; D205-T364 WeakPolarHBondContact OD1-CB 3.45Å; D205-T364 PolarHBondContact OD1-OG1 2.97Å; T364-P374 HydrophobicContact CG2-CG 4.17Å
365	Q	90.9	Very high	94.5	Very high	133 Å²	133	31.7 Å²	31.7	62%	0.621	20%	0.195	S	C	*	.	S	Bend	trans	-109.3	119.5	171.3	-60.2	-59.9	-47.9	0	0	108	E363 G367 D368	E363-Q365 PolarHBondContact OE1-NE2 3.28Å; Q365-G367 PolarHBondContact O-N 3.37Å; Q365-D368 WeakPolarHBondContact O-CB 3.46Å; Q365-D368 PolarHBondContact O-N 2.67Å; Q365-D368 VanDerWaalsContact O-N 3.08Å
366	A	89.7	Confident	94.5	Very high	101 Å²	101	32.4 Å²	32.4	84%	0.835	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.8	179.9	0	0	0	0	0	114.5	D205 D368	D205-A366 PolarHBondContact OD1-N 3.13Å; A366-D368 PolarHBondContact O-N 2.63Å
367	G	86.5	Confident	94.4	Very high	29 Å²	29	32.4 Å²	32.4	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	7	179.1	0	0	0	0	0	114.7	D205 Q365 V369	D205-G367 VanDerWaalsContact CG-N 3.26Å; D205-G367 WeakPolarHBondContact OD1-CA 3.3Å; D205-G367 PolarHBondContact OD1-N 3.3Å; D205-G367 PolarHBondContact OD2-N 2.88Å; Q365-G367 PolarHBondContact O-N 3.37Å; G367-V369 PolarHBondContact O-N 3.36Å
368	D	89.8	Confident	94.3	Very high	69 Å²	69	34.8 Å²	34.8	37%	0.369	21%	0.211	S	C	.	.			trans	-73.9	99.7	-176.6	-174.6	13.3	0	0	0	112	Q365 A366 S370 A371	Q365-D368 WeakPolarHBondContact O-CB 3.46Å; Q365-D368 PolarHBondContact O-N 2.67Å; Q365-D368 VanDerWaalsContact O-N 3.08Å; A366-D368 PolarHBondContact O-N 2.63Å; D368-S370 VanDerWaalsContact C-N 3.31Å; D368-S370 WeakPolarHBondContact OD1-CA 3.49Å; D368-S370 VanDerWaalsContact OD1-CB 3.31Å; D368-S370 WeakPolarHBondContact OD1-CB 3.37Å; D368-S370 PolarHBondContact OD1-N 3.04Å; D368-S370 PolarHBondContact OD1-OG 2.99Å; D368-A371 PolarHBondContact OD1-N 3.24Å
369	V	88.3	Confident	94.2	Very high	58 Å²	58	38 Å²	38	35%	0.352	23%	0.233	S	C	.	.	S	Bend	trans	-80.6	-10.4	172.8	-65.8	0	0	0	0	113.4	I203 G367 T375 F386	I203-V369 HydrophobicContact CD1-CG1 4.19Å; G367-V369 PolarHBondContact O-N 3.36Å; V369-T375 PolarHBondContact O-OG1 2.91Å; V369-F386 HydrophobicContact CG1-CD2 3.88Å; V369-F386 HydrophobicContact CG1-CE2 3.17Å; V369-F386 HydrophobicContact CG1-CZ 3.82Å
370	S	90.3	Very high	94.1	Very high	73 Å²	73	38.5 Å²	38.5	51%	0.51	24%	0.236	S	C	.	.	S	Bend	trans	-89.3	-5.8	-178.6	78.2	0	0	0	0	113.5	D368 T375	D368-S370 VanDerWaalsContact C-N 3.31Å; D368-S370 WeakPolarHBondContact OD1-CA 3.49Å; D368-S370 VanDerWaalsContact OD1-CB 3.31Å; D368-S370 WeakPolarHBondContact OD1-CB 3.37Å; D368-S370 PolarHBondContact OD1-N 3.04Å; D368-S370 PolarHBondContact OD1-OG 2.99Å; S370-T375 PolarHBondContact O-OG1 3.34Å
371	A	92.8	Very high	94.1	Very high	20 Å²	20	38.5 Å²	38.5	17%	0.165	24%	0.236	C	C	.	.	S	Bend	trans	-58.5	155.7	170.8	0	0	0	0	0	111.4	D368 I373 P374 T375	D368-A371 PolarHBondContact OD1-N 3.24Å; A371-I373 PolarHBondContact O-N 3.28Å; A371-P374 HydrophobicContact CB-CG 4.07Å; A371-P374 WeakPolarHBondContact O-CD 3.37Å; A371-T375 WeakPolarHBondContact O-CB 3.34Å; A371-T375 PolarHBondContact O-N 2.96Å; A371-T375 VanDerWaalsContact O-N 3.1Å; A371-T375 PolarHBondContact O-OG1 3.37Å
372	Y	93.3	Very high	94	Very high	48 Å²	48	39.7 Å²	39.7	19%	0.188	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-47.4	-167.2	-174.9	-140.9	0	0	0	113.5	R326 E327 Y329 V333 N376	R326-Y372 HydrophobicContact CB-CD1 4.27Å; R326-Y372 HydrophobicContact CB-CE1 4.4Å; R326-Y372 HydrophobicContact CB-CG 4.5Å; R326-Y372 HydrophobicContact CG-CG 4.35Å; E327-Y372 WeakPolarHBondContact OE1-CB 3.41Å; E327-Y372 PolarHBondContact OE1-N 2.8Å; Y329-Y372 AromaticContact CD2-CD1 3.9Å; Y329-Y372 HydrophobicContact CD2-CD1 3.9Å; Y329-Y372 HydrophobicContact CG-CD1 4.39Å; V333-Y372 HydrophobicContact CG1-CD1 4.39Å; V333-Y372 HydrophobicContact CG1-CE1 3.53Å; Y372-N376 WeakPolarHBondContact CE2-ND2 3.48Å; Y372-N376 PolarHBondContact O-N 3.25Å; Y372-N376 VanDerWaalsContact O-N 3.13Å; Y372-N376 PolarHBondContact O-ND2 2.9Å; Y372-N376 PolarHBondContact O-OD1 3.48Å
373	I	95.8	Very high	93.9	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-69.5	-48.9	-178.3	-56.6	-56.6	0	0	0	112.8	A310 Y329 V333 I362 A371 T375 N376 V377	A310-I373 HydrophobicContact CB-CD1 3.95Å; A310-I373 HydrophobicContact CB-CG1 4.12Å; A310-I373 HydrophobicContact CB-CG2 4.32Å; Y329-I373 HydrophobicContact CD1-CD1 4.02Å; Y329-I373 HydrophobicContact CD2-CD1 4.05Å; Y329-I373 HydrophobicContact CD2-CG1 4.28Å; Y329-I373 HydrophobicContact CE1-CD1 3.9Å; Y329-I373 HydrophobicContact CE1-CG1 4.03Å; Y329-I373 HydrophobicContact CE2-CD1 3.92Å; Y329-I373 HydrophobicContact CE2-CG1 3.65Å; Y329-I373 HydrophobicContact CG-CD1 4.1Å; V333-I373 HydrophobicContact CG1-CD1 4.32Å; V333-I373 HydrophobicContact CG2-CD1 3.7Å; I362-I373 HydrophobicContact CD1-CG2 4.08Å; A371-I373 PolarHBondContact O-N 3.28Å; I373-T375 VanDerWaalsContact C-N 3.31Å; I373-T375 PolarHBondContact O-N 3.34Å; I373-N376 PolarHBondContact O-N 3.45Å; I373-V377 HydrophobicContact CG2-CG2 4.37Å; I373-V377 WeakPolarHBondContact O-CG2 3.32Å; I373-V377 PolarHBondContact O-N 3.24Å
374	P	95.6	Very high	94	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-51.1	-48.2	172.3	-31.8	38.4	0	0	0	113.5	I203 I362 T364 A371 N376 V377 I378	I203-P374 HydrophobicContact CD1-CB 3.89Å; I362-P374 HydrophobicContact CG2-CB 4.38Å; I362-P374 HydrophobicContact CG2-CG 3.97Å; T364-P374 HydrophobicContact CG2-CG 4.17Å; A371-P374 HydrophobicContact CB-CG 4.07Å; A371-P374 WeakPolarHBondContact O-CD 3.37Å; P374-N376 VanDerWaalsContact C-N 3.34Å; P374-N376 PolarHBondContact O-N 2.96Å; P374-V377 PolarHBondContact O-N 3.22Å; P374-I378 WeakPolarHBondContact O-CB 3.38Å; P374-I378 WeakPolarHBondContact O-CD1 3.4Å; P374-I378 VanDerWaalsContact O-CG1 3.23Å; P374-I378 WeakPolarHBondContact O-CG1 3.15Å; P374-I378 PolarHBondContact O-N 3.18Å
375	T	95.6	Very high	94.1	Very high	67 Å²	67	39 Å²	39	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-45.3	179.5	-57.3	0	0	0	0	111.8	V369 S370 A371 I373 S379	V369-T375 PolarHBondContact O-OG1 2.91Å; S370-T375 PolarHBondContact O-OG1 3.34Å; A371-T375 WeakPolarHBondContact O-CB 3.34Å; A371-T375 PolarHBondContact O-N 2.96Å; A371-T375 VanDerWaalsContact O-N 3.1Å; A371-T375 PolarHBondContact O-OG1 3.37Å; I373-T375 VanDerWaalsContact C-N 3.31Å; I373-T375 PolarHBondContact O-N 3.34Å; T375-S379 PolarHBondContact O-N 2.94Å
376	N	96.5	Very high	94.3	Very high	16 Å²	16	33.3 Å²	33.3	9%	0.086	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-50	177.8	-70.8	-15	0	0	0	111.2	F334 Y372 I373 P374 S379 I380	F334-N376 HydrophobicContact CD2-CB 3.94Å; Y372-N376 WeakPolarHBondContact CE2-ND2 3.48Å; Y372-N376 PolarHBondContact O-N 3.25Å; Y372-N376 VanDerWaalsContact O-N 3.13Å; Y372-N376 PolarHBondContact O-ND2 2.9Å; Y372-N376 PolarHBondContact O-OD1 3.48Å; I373-N376 PolarHBondContact O-N 3.45Å; P374-N376 VanDerWaalsContact C-N 3.34Å; P374-N376 PolarHBondContact O-N 2.96Å; N376-S379 PolarHBondContact O-N 3.39Å; N376-S379 PolarHBondContact O-OG 2.92Å; N376-I380 WeakPolarHBondContact O-CD1 3.35Å; N376-I380 WeakPolarHBondContact O-CG1 3.47Å; N376-I380 PolarHBondContact O-N 3.44Å
377	V	96.7	Very high	94.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.2	-38.6	-175	-176.3	0	0	0	0	111.6	L201 L341 I362 I373 P374 S379 I380 T381	L201-V377 HydrophobicContact CD1-CG1 3.68Å; L201-V377 HydrophobicContact CD2-CB 4.41Å; L201-V377 HydrophobicContact CD2-CG1 4.07Å; L201-V377 HydrophobicContact CG-CG1 4.38Å; L341-V377 HydrophobicContact CD1-CG1 4.11Å; I362-V377 HydrophobicContact CD1-CG2 4.04Å; I362-V377 HydrophobicContact CG1-CB 4.22Å; I362-V377 HydrophobicContact CG1-CG1 4.17Å; I362-V377 HydrophobicContact CG1-CG2 4.19Å; I373-V377 HydrophobicContact CG2-CG2 4.37Å; I373-V377 WeakPolarHBondContact O-CG2 3.32Å; I373-V377 PolarHBondContact O-N 3.24Å; P374-V377 PolarHBondContact O-N 3.22Å; V377-S379 PolarHBondContact O-N 3.22Å; V377-I380 PolarHBondContact O-N 2.86Å; V377-T381 HydrophobicContact CG1-CG2 3.9Å; V377-T381 PolarHBondContact O-N 3.38Å; V377-T381 PolarHBondContact O-OG1 2.91Å
378	I	96.4	Very high	94.9	Very high	49 Å²	49	29.1 Å²	29.1	25%	0.251	17%	0.167	S	C	.	.	H	α-helix	trans	-55.6	-40.4	172.8	-70.2	165.1	0	0	0	111	L201 I203 P374 I380	L201-I378 HydrophobicContact CD2-CB 4.5Å; L201-I378 HydrophobicContact CD2-CG1 3.6Å; I203-I378 HydrophobicContact CD1-CD1 4.16Å; P374-I378 WeakPolarHBondContact O-CB 3.38Å; P374-I378 WeakPolarHBondContact O-CD1 3.4Å; P374-I378 VanDerWaalsContact O-CG1 3.23Å; P374-I378 WeakPolarHBondContact O-CG1 3.15Å; P374-I378 PolarHBondContact O-N 3.18Å; I378-I380 VanDerWaalsContact C-N 3.3Å; I378-I380 PolarHBondContact O-N 3.42Å
379	S	96.7	Very high	95.1	Very high	68 Å²	68	28.1 Å²	28.1	48%	0.476	16%	0.164	S	C	.	.	H	α-helix	trans	-69.6	-27.8	179.1	76.3	0	0	0	0	113.4	F334 T375 N376 V377	F334-S379 WeakPolarHBondContact CE2-OG 3.48Å; T375-S379 PolarHBondContact O-N 2.94Å; N376-S379 PolarHBondContact O-N 3.39Å; N376-S379 PolarHBondContact O-OG 2.92Å; V377-S379 PolarHBondContact O-N 3.22Å
380	I	97	Very high	95.3	Very high	11 Å²	11	31 Å²	31	6%	0.056	17%	0.174	C	C	.	.	H	α-helix	trans	-84	-43.9	-177.8	-64.1	160.9	0	0	0	111.2	F334 H337 L341 N376 V377 I378	F334-I380 HydrophobicContact CD2-CD1 4.17Å; F334-I380 HydrophobicContact CE2-CD1 3.81Å; F334-I380 HydrophobicContact CE2-CG1 3.73Å; F334-I380 HydrophobicContact CZ-CD1 4.09Å; F334-I380 HydrophobicContact CZ-CG1 3.74Å; H337-I380 HydrophobicContact CB-CD1 3.93Å; L341-I380 HydrophobicContact CB-CG2 3.78Å; L341-I380 HydrophobicContact CD1-CB 4.39Å; L341-I380 HydrophobicContact CD1-CG2 3.77Å; L341-I380 HydrophobicContact CG-CG2 4.4Å; N376-I380 WeakPolarHBondContact O-CD1 3.35Å; N376-I380 WeakPolarHBondContact O-CG1 3.47Å; N376-I380 PolarHBondContact O-N 3.44Å; V377-I380 PolarHBondContact O-N 2.86Å; I378-I380 VanDerWaalsContact C-N 3.3Å; I378-I380 PolarHBondContact O-N 3.42Å
381	T	97.7	Very high	95.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-78.6	150	-173.5	52.6	0	0	0	0	113.1	R199 L201 L341 P360 V377 G383 R408	R199-T381 HydrophobicContact CB-CG2 4.29Å; L201-T381 HydrophobicContact CB-CG2 4.03Å; L201-T381 WeakPolarHBondContact CB-OG1 3.44Å; L341-T381 HydrophobicContact CD1-CG2 3.91Å; P360-T381 HydrophobicContact CG-CG2 3.7Å; V377-T381 HydrophobicContact CG1-CG2 3.9Å; V377-T381 PolarHBondContact O-N 3.38Å; V377-T381 PolarHBondContact O-OG1 2.91Å; T381-G383 PolarHBondContact O-N 3.22Å; T381-G383 PolarHBondContact OG1-O 2.81Å; T381-R408 PolarHBondContact O-NH1 2.8Å; T381-R408 VanDerWaalsContact O-NH1 3.1Å; T381-R408 PolarHBondContact O-NH2 3.24Å
382	D	96.5	Very high	95.3	Very high	25 Å²	25	29.2 Å²	29.2	13%	0.134	15%	0.154	C	C	.	.	S	Bend	trans	-67.5	-9.2	179.9	-62.9	-49.3	0	0	0	115.4	Q198 R199 R408 V409	Q198-D382 HydrophobicContact CG-CB 3.68Å; R199-D382 IonicContact CZ-OD1 3.5Å; R199-D382 IonicContact CZ-OD2 2.69Å; R199-D382 VanDerWaalsContact CZ-OD2 3.31Å; R199-D382 PolarHBondContact N-OD2 2.82Å; R199-D382 IonicContact NE-OD1 3.43Å; R199-D382 IonicContact NE-OD2 3.81Å; R199-D382 PolarHBondContact NE-OD2 3.4Å; R199-D382 IonicContact NH2-OD1 2.92Å; R199-D382 PolarHBondContact NH2-OD1 2.82Å; R199-D382 IonicContact NH2-OD2 3.71Å; R199-D382 PolarHBondContact NH2-OD2 3.01Å; R199-D382 VanDerWaalsContact NH2-OD2 3.09Å; R199-D382 WeakPolarHBondContact O-CA 3.47Å; R199-D382 WeakPolarHBondContact O-CB 3.43Å; R199-D382 PolarHBondContact O-N 2.87Å; D382-R408 VanDerWaalsContact C-NE 3.32Å; D382-R408 WeakPolarHBondContact O-CA 3.48Å; D382-R408 WeakPolarHBondContact O-CB 3.48Å; D382-R408 WeakPolarHBondContact O-CG 3.47Å; D382-R408 PolarHBondContact O-N 3.1Å; D382-R408 PolarHBondContact O-NE 2.92Å; D382-R408 VanDerWaalsContact O-NE 3.11Å; D382-R408 IonicContact OD1-NH2 3.37Å; D382-R408 PolarHBondContact OD1-NH2 3.48Å; D382-V409 HydrophobicContact CB-CG2 4.42Å
383	G	95.9	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	178.7	-179.4	0	0	0	0	0	109.9	E200 L201 T381 V406	E200-G383 VanDerWaalsContact OE2-CA 3.32Å; E200-G383 WeakPolarHBondContact OE2-CA 3.26Å; E200-G383 PolarHBondContact OE2-N 3.07Å; L201-G383 WeakPolarHBondContact CB-O 3.25Å; L201-G383 PolarHBondContact N-O 2.82Å; T381-G383 PolarHBondContact O-N 3.22Å; T381-G383 PolarHBondContact OG1-O 2.81Å; G383-V406 CarbonylContact C-O 3.43Å; G383-V406 WeakPolarHBondContact CA-O 3.31Å
384	Q	96.7	Very high	95.1	Very high	38 Å²	38	39 Å²	39	18%	0.178	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142	178	71.6	-79.8	-1.2	0	0	111.5	E200 L201 I203 L404 S405 V406	E200-Q384 PolarHBondContact OE1-N 2.97Å; L201-Q384 HydrophobicContact CB-CB 4Å; L201-Q384 HydrophobicContact CD2-CB 4.25Å; L201-Q384 HydrophobicContact CG-CB 4.36Å; L201-Q384 CarbonylContact O-C 3.56Å; L201-Q384 VanDerWaalsContact O-CA 3.24Å; L201-Q384 WeakPolarHBondContact O-CA 3.19Å; I203-Q384 HydrophobicContact CG2-CB 4.08Å; Q384-L404 PolarHBondContact NE2-O 3.15Å; Q384-S405 CarbonylContact O-C 3.56Å; Q384-S405 WeakPolarHBondContact O-CA 3.43Å; Q384-S405 VanDerWaalsContact O-CB 3.32Å; Q384-S405 WeakPolarHBondContact O-CB 3.4Å; Q384-V406 PolarHBondContact N-O 2.93Å; Q384-V406 PolarHBondContact O-N 3.28Å
385	I	97	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	106.7	167.9	-58.1	174.7	0	0	0	105.8	V188 V192 I194 E200 L201 I202 I203 I213 L387 I400	V188-I385 HydrophobicContact CG1-CD1 3.86Å; V188-I385 HydrophobicContact CG2-CD1 4.07Å; V192-I385 HydrophobicContact CG2-CD1 4.34Å; V192-I385 HydrophobicContact CG2-CG1 3.92Å; I194-I385 HydrophobicContact CD1-CD1 4.13Å; E200-I385 HydrophobicContact CG-CD1 4.1Å; E200-I385 HydrophobicContact CG-CG1 4.03Å; L201-I385 PolarHBondContact O-N 3.19Å; I202-I385 HydrophobicContact CG1-CD1 4.48Å; I203-I385 WeakPolarHBondContact CG2-O 3.46Å; I203-I385 PolarHBondContact N-O 3.35Å; I213-I385 HydrophobicContact CD1-CG2 4.42Å; I385-L387 HydrophobicContact CG2-CD2 4.09Å; I385-I400 HydrophobicContact CG2-CD1 3.96Å; I385-I400 HydrophobicContact CG2-CG1 3.88Å; I385-I400 HydrophobicContact CG2-CG2 4.28Å
386	F	95.8	Very high	94.8	Very high	14 Å²	14	40.4 Å²	40.4	6%	0.061	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.5	-178.4	-169.5	-102.4	0	0	0	110.7	I203 V369 E388 N401 L404 S405	I203-F386 HydrophobicContact CG1-CD2 4.32Å; I203-F386 HydrophobicContact CG1-CE2 4.43Å; I203-F386 HydrophobicContact CG2-CB 4.36Å; I203-F386 HydrophobicContact CG2-CD2 3.8Å; I203-F386 WeakPolarHBondContact O-CA 3.44Å; V369-F386 HydrophobicContact CG1-CD2 3.88Å; V369-F386 HydrophobicContact CG1-CE2 3.17Å; V369-F386 HydrophobicContact CG1-CZ 3.82Å; F386-E388 HydrophobicContact CD1-CG 3.75Å; F386-E388 HydrophobicContact CE1-CG 3.46Å; F386-E388 VanDerWaalsContact CE1-CG 3.46Å; F386-N401 HydrophobicContact CD1-CB 3.96Å; F386-N401 PolarHBondContact O-N 2.79Å; F386-L404 HydrophobicContact CB-CB 3.97Å; F386-L404 HydrophobicContact CD1-CB 3.99Å; F386-L404 HydrophobicContact CD1-CD1 3.55Å; F386-L404 HydrophobicContact CD1-CG 4.41Å; F386-L404 HydrophobicContact CE1-CD1 3.59Å; F386-L404 HydrophobicContact CG-CB 4.09Å; F386-L404 HydrophobicContact CG-CD1 4.27Å; F386-L404 HydrophobicContact CZ-CD1 4.39Å; F386-S405 PolarHBondContact N-OG 2.94Å
387	L	96.5	Very high	94.7	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.3	178.6	-54.7	-175.5	0	0	0	111.8	I202 I203 K210 I213 I385 A399 I400	I202-L387 HydrophobicContact CG2-CD1 4.37Å; I203-L387 PolarHBondContact O-N 3.07Å; K210-L387 HydrophobicContact CB-CD1 4.24Å; K210-L387 HydrophobicContact CG-CD1 3.65Å; I213-L387 HydrophobicContact CD1-CD1 3.85Å; I213-L387 HydrophobicContact CD1-CD2 3.66Å; I213-L387 HydrophobicContact CD1-CG 4.31Å; I385-L387 HydrophobicContact CG2-CD2 4.09Å; L387-A399 VanDerWaalsContact CA-O 3.26Å; L387-A399 WeakPolarHBondContact CA-O 3.33Å; L387-I400 HydrophobicContact CD2-CB 4.37Å; L387-I400 HydrophobicContact CD2-CG1 3.56Å
388	E	92.7	Very high	94.5	Very high	40 Å²	40	46.3 Å²	46.3	19%	0.187	23%	0.233	C	C	.	.			trans	-108.3	135.1	-177.7	-74.2	179.4	160.3	0	0	112.9	F386 E390 L391 F392 A399 N401 R433	F386-E388 HydrophobicContact CD1-CG 3.75Å; F386-E388 HydrophobicContact CE1-CG 3.46Å; F386-E388 VanDerWaalsContact CE1-CG 3.46Å; E388-E390 VanDerWaalsContact C-N 3.31Å; E388-E390 PolarHBondContact O-N 2.94Å; E388-L391 HydrophobicContact CB-CB 4.25Å; E388-L391 HydrophobicContact CB-CD1 4.02Å; E388-L391 HydrophobicContact CB-CG 3.96Å; E388-L391 PolarHBondContact O-N 3.45Å; E388-L391 WeakPolarHBondContact OE2-CD1 3.29Å; E388-L391 WeakPolarHBondContact OE2-CG 3.4Å; E388-F392 PolarHBondContact O-N 3.38Å; E388-A399 PolarHBondContact N-O 3.49Å; E388-A399 WeakPolarHBondContact O-CB 3.41Å; E388-N401 HydrophobicContact CG-CB 4.08Å; E388-N401 PolarHBondContact OE1-ND2 2.99Å; E388-N401 PolarHBondContact OE2-ND2 2.85Å; E388-N401 VanDerWaalsContact OE2-ND2 3.15Å; E388-R433 IonicContact OE2-NH1 3.79Å
389	T	93.2	Very high	94.5	Very high	48 Å²	48	44 Å²	44	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-61.9	-38.8	173.9	-54.5	0	0	0	0	111.6	D205 T208 F392 H393	D205-T389 WeakPolarHBondContact CB-OG1 2.85Å; D205-T389 PolarHBondContact OD2-OG1 3.23Å; T208-T389 WeakPolarHBondContact CG2-OG1 3.31Å; T389-F392 WeakPolarHBondContact O-CB 3.44Å; T389-F392 PolarHBondContact O-N 3.39Å; T389-H393 WeakPolarHBondContact CG2-NE2 3.5Å; T389-H393 PolarHBondContact O-CD2 2.91Å; T389-H393 PolarHBondContact O-N 3.28Å
390	E	92.1	Very high	94.4	Very high	119 Å²	119	41.1 Å²	41.1	56%	0.556	20%	0.201	S	C	*	.	H	α-helix	trans	-62.7	-46.5	179	-170.4	-173.3	162.3	0	0	112.4	E388 F392 H393 K394	E388-E390 VanDerWaalsContact C-N 3.31Å; E388-E390 PolarHBondContact O-N 2.94Å; E390-F392 VanDerWaalsContact C-N 3.27Å; E390-F392 PolarHBondContact O-N 2.89Å; E390-H393 PolarHBondContact O-N 3.47Å; E390-K394 HydrophobicContact CG-CD 4.49Å; E390-K394 WeakPolarHBondContact O-CG 3.32Å; E390-K394 PolarHBondContact O-N 2.85Å; E390-K394 WeakPolarHBondContact OE1-CE 3.35Å; E390-K394 IonicContact OE1-NZ 2.63Å; E390-K394 PolarHBondContact OE1-NZ 2.96Å
391	L	92.7	Very high	94.1	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.068	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-39.2	176.6	-64	178.1	0	0	0	111.3	E388 H393 K394 S395 I396 A399 I400 N401 R433	E388-L391 HydrophobicContact CB-CB 4.25Å; E388-L391 HydrophobicContact CB-CD1 4.02Å; E388-L391 HydrophobicContact CB-CG 3.96Å; E388-L391 PolarHBondContact O-N 3.45Å; E388-L391 WeakPolarHBondContact OE2-CD1 3.29Å; E388-L391 WeakPolarHBondContact OE2-CG 3.4Å; L391-H393 VanDerWaalsContact C-N 3.33Å; L391-H393 PolarHBondContact O-N 2.91Å; L391-K394 CarbonylContact O-C 3.52Å; L391-K394 PolarHBondContact O-N 2.77Å; L391-S395 PolarHBondContact O-N 2.94Å; L391-I396 HydrophobicContact CB-CB 4.3Å; L391-I396 HydrophobicContact CD2-CD1 3.86Å; L391-I396 PolarHBondContact O-N 3.07Å; L391-A399 HydrophobicContact CB-CB 4.1Å; L391-I400 WeakPolarHBondContact CD1-O 3.45Å; L391-N401 HydrophobicContact CD1-CB 4.31Å; L391-R433 VanDerWaalsContact CD1-NH2 3.27Å
392	F	91.9	Very high	93.7	Very high	42 Å²	42	41.9 Å²	41.9	18%	0.184	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-40	177.2	-172.6	-90.8	0	0	0	112.4	E388 T389 E390 S395 R397 A399	E388-F392 PolarHBondContact O-N 3.38Å; T389-F392 WeakPolarHBondContact O-CB 3.44Å; T389-F392 PolarHBondContact O-N 3.39Å; E390-F392 VanDerWaalsContact C-N 3.27Å; E390-F392 PolarHBondContact O-N 2.89Å; F392-S395 PolarHBondContact O-N 3.45Å; F392-R397 HydrophobicContact CD2-CG 4.17Å; F392-R397 HydrophobicContact CE2-CG 4.29Å; F392-A399 HydrophobicContact CB-CB 3.83Å; F392-A399 HydrophobicContact CD2-CB 4.28Å
393	H	92.4	Very high	93.2	Very high	139 Å²	139	43 Å²	43	64%	0.644	22%	0.223	S	C	*	.	H	α-helix	trans	-72.2	-32.5	175.3	-69.5	-54.5	0	0	0	113	T389 E390 L391 S395	T389-H393 WeakPolarHBondContact CG2-NE2 3.5Å; T389-H393 PolarHBondContact O-CD2 2.91Å; T389-H393 PolarHBondContact O-N 3.28Å; E390-H393 PolarHBondContact O-N 3.47Å; L391-H393 VanDerWaalsContact C-N 3.33Å; L391-H393 PolarHBondContact O-N 2.91Å; H393-S395 PolarHBondContact O-N 3.21Å; H393-S395 VanDerWaalsContact O-N 3.11Å
394	K	91.1	Very high	92.9	Very high	119 Å²	119	47.2 Å²	47.2	52%	0.517	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	10.6	169.6	-68.6	-178	-176.1	172.8	0	113.6	E390 L391 I396	E390-K394 HydrophobicContact CG-CD 4.49Å; E390-K394 WeakPolarHBondContact O-CG 3.32Å; E390-K394 PolarHBondContact O-N 2.85Å; E390-K394 WeakPolarHBondContact OE1-CE 3.35Å; E390-K394 IonicContact OE1-NZ 2.63Å; E390-K394 PolarHBondContact OE1-NZ 2.96Å; L391-K394 CarbonylContact O-C 3.52Å; L391-K394 PolarHBondContact O-N 2.77Å; K394-I396 HydrophobicContact CB-CD1 4.47Å; K394-I396 PolarHBondContact O-N 2.87Å
395	S	91.8	Very high	92.8	Very high	71 Å²	71	45.4 Å²	45.4	50%	0.497	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	25.3	-180	-57.6	0	0	0	0	114.2	L391 F392 H393 R397 K464	L391-S395 PolarHBondContact O-N 2.94Å; F392-S395 PolarHBondContact O-N 3.45Å; H393-S395 PolarHBondContact O-N 3.21Å; H393-S395 VanDerWaalsContact O-N 3.11Å; S395-R397 PolarHBondContact O-N 3.35Å; S395-K464 WeakPolarHBondContact O-CE 3.17Å
396	I	92.9	Very high	92.7	Very high	35 Å²	35	48 Å²	48	18%	0.179	25%	0.252	C	S	.	.			trans	-88.3	104.7	168	-60.7	168.8	0	0	0	106.7	L391 K394 A399 T460	L391-I396 HydrophobicContact CB-CB 4.3Å; L391-I396 HydrophobicContact CD2-CD1 3.86Å; L391-I396 PolarHBondContact O-N 3.07Å; K394-I396 HydrophobicContact CB-CD1 4.47Å; K394-I396 PolarHBondContact O-N 2.87Å; I396-A399 VanDerWaalsContact O-CA 3.3Å; I396-A399 WeakPolarHBondContact O-CA 3.45Å; I396-T460 HydrophobicContact CD1-CG2 3.88Å; I396-T460 HydrophobicContact CG1-CG2 4.2Å; I396-T460 HydrophobicContact CG2-CG2 4.49Å
397	R	94.1	Very high	92.6	Very high	112 Å²	112	47.9 Å²	47.9	42%	0.423	25%	0.253	S	S	.	.	S	Bend	trans	-132.3	124.6	-175.9	-63.2	-178.3	-176.1	171	3.4	108.8	F392 S395 K464 Q465	F392-R397 HydrophobicContact CD2-CG 4.17Å; F392-R397 HydrophobicContact CE2-CG 4.29Å; S395-R397 PolarHBondContact O-N 3.35Å; R397-K464 CarbonylContact O-C 3.51Å; R397-K464 VanDerWaalsContact O-CA 3.31Å; R397-K464 WeakPolarHBondContact O-CA 3.38Å; R397-Q465 PolarHBondContact O-N 3.36Å; R397-Q465 VanDerWaalsContact O-O 3.13Å
398	P	94.4	Very high	92.5	Very high	27 Å²	27	54.4 Å²	54.4	18%	0.175	28%	0.278	C	S	.	.	S	Bend	cis	-66.2	144	0.7	31	-37.6	0	0	0	112.8	I185 A187 I213 I400	I185-P398 HydrophobicContact CG2-CG 3.73Å; A187-P398 HydrophobicContact CB-CG 4.11Å; I213-P398 HydrophobicContact CD1-CB 4.24Å; I213-P398 HydrophobicContact CG1-CB 4.41Å; P398-I400 HydrophobicContact CB-CD1 4.2Å; P398-I400 HydrophobicContact CB-CG1 4.18Å; P398-I400 HydrophobicContact CG-CD1 4.03Å; P398-I400 HydrophobicContact CG-CG1 4.38Å; P398-I400 PolarHBondContact O-N 2.81Å
399	A	94.8	Very high	92.4	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.017	28%	0.28	C	S	.	.			trans	-81.2	47.4	-169	0	0	0	0	0	113.6	L387 E388 L391 F392 I396	L387-A399 VanDerWaalsContact CA-O 3.26Å; L387-A399 WeakPolarHBondContact CA-O 3.33Å; E388-A399 PolarHBondContact N-O 3.49Å; E388-A399 WeakPolarHBondContact O-CB 3.41Å; L391-A399 HydrophobicContact CB-CB 4.1Å; F392-A399 HydrophobicContact CB-CB 3.83Å; F392-A399 HydrophobicContact CD2-CB 4.28Å; I396-A399 VanDerWaalsContact O-CA 3.3Å; I396-A399 WeakPolarHBondContact O-CA 3.45Å
400	I	94.3	Very high	92.3	Very high	7 Å²	7	53 Å²	53	4%	0.036	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-80.5	124.7	-173	-61.4	174.1	0	0	0	110.7	A187 V188 I213 I385 L387 L391 P398 V402 S405	A187-I400 HydrophobicContact CB-CD1 3.84Å; V188-I400 HydrophobicContact CG2-CD1 3.55Å; I213-I400 HydrophobicContact CD1-CD1 4.43Å; I213-I400 HydrophobicContact CD1-CG1 4.44Å; I385-I400 HydrophobicContact CG2-CD1 3.96Å; I385-I400 HydrophobicContact CG2-CG1 3.88Å; I385-I400 HydrophobicContact CG2-CG2 4.28Å; L387-I400 HydrophobicContact CD2-CB 4.37Å; L387-I400 HydrophobicContact CD2-CG1 3.56Å; L391-I400 WeakPolarHBondContact CD1-O 3.45Å; P398-I400 HydrophobicContact CB-CD1 4.2Å; P398-I400 HydrophobicContact CB-CG1 4.18Å; P398-I400 HydrophobicContact CG-CD1 4.03Å; P398-I400 HydrophobicContact CG-CG1 4.38Å; P398-I400 PolarHBondContact O-N 2.81Å; I400-V402 PolarHBondContact O-N 2.84Å; I400-S405 WeakPolarHBondContact CG2-OG 3.13Å
401	N	92.1	Very high	92.2	Very high	15 Å²	15	49.8 Å²	49.8	8%	0.08	27%	0.266	C	S	.	.			trans	-78.8	110.5	166.2	-175.8	-38.3	0	0	0	109.7	F386 E388 L391 G403 L404 S405 R433	F386-N401 HydrophobicContact CD1-CB 3.96Å; F386-N401 PolarHBondContact O-N 2.79Å; E388-N401 HydrophobicContact CG-CB 4.08Å; E388-N401 PolarHBondContact OE1-ND2 2.99Å; E388-N401 PolarHBondContact OE2-ND2 2.85Å; E388-N401 VanDerWaalsContact OE2-ND2 3.15Å; L391-N401 HydrophobicContact CD1-CB 4.31Å; N401-G403 VanDerWaalsContact C-N 3.3Å; N401-G403 PolarHBondContact O-N 2.87Å; N401-G403 WeakPolarHBondContact OD1-CA 3.42Å; N401-G403 PolarHBondContact OD1-N 2.87Å; N401-L404 HydrophobicContact CB-CB 4.27Å; N401-L404 PolarHBondContact OD1-N 3.48Å; N401-S405 WeakPolarHBondContact O-CB 3.35Å; N401-S405 PolarHBondContact O-N 3.03Å; N401-S405 PolarHBondContact O-OG 2.92Å; N401-R433 PolarHBondContact ND2-NH1 2.8Å; N401-R433 VanDerWaalsContact ND2-NH1 3.19Å; N401-R433 PolarHBondContact OD1-NH1 3.14Å
402	V	89.3	Confident	92.2	Very high	12 Å²	12	51.6 Å²	51.6	7%	0.073	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.2	-178.1	-177.2	0	0	0	0	113.4	L191 I400 K426 L429	L191-V402 HydrophobicContact CD1-CB 4.39Å; L191-V402 HydrophobicContact CD1-CG1 3.95Å; L191-V402 HydrophobicContact CD1-CG2 3.64Å; I400-V402 PolarHBondContact O-N 2.84Å; V402-K426 HydrophobicContact CG1-CG 4.2Å; V402-L429 HydrophobicContact CG1-CB 4.12Å; V402-L429 HydrophobicContact CG2-CD1 4.44Å
403	G	86.2	Confident	92.3	Very high	49 Å²	49	49.7 Å²	49.7	51%	0.505	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-41.5	-179.1	0	0	0	0	0	113.1	N401	N401-G403 VanDerWaalsContact C-N 3.3Å; N401-G403 PolarHBondContact O-N 2.87Å; N401-G403 WeakPolarHBondContact OD1-CA 3.42Å; N401-G403 PolarHBondContact OD1-N 2.87Å
404	L	89.6	Confident	92.3	Very high	87 Å²	87	44.3 Å²	44.3	46%	0.455	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-18.9	179.9	-63.7	178.7	0	0	0	113.3	Q384 F386 N401	Q384-L404 PolarHBondContact NE2-O 3.15Å; F386-L404 HydrophobicContact CB-CB 3.97Å; F386-L404 HydrophobicContact CD1-CB 3.99Å; F386-L404 HydrophobicContact CD1-CD1 3.55Å; F386-L404 HydrophobicContact CD1-CG 4.41Å; F386-L404 HydrophobicContact CE1-CD1 3.59Å; F386-L404 HydrophobicContact CG-CB 4.09Å; F386-L404 HydrophobicContact CG-CD1 4.27Å; F386-L404 HydrophobicContact CZ-CD1 4.39Å; N401-L404 HydrophobicContact CB-CB 4.27Å; N401-L404 PolarHBondContact OD1-N 3.48Å
405	S	93.7	Very high	92.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.235	C	C	.	.			trans	-86.3	131.4	178.7	-52.1	0	0	0	0	112.1	Q384 F386 I400 N401 K426	Q384-S405 CarbonylContact O-C 3.56Å; Q384-S405 WeakPolarHBondContact O-CA 3.43Å; Q384-S405 VanDerWaalsContact O-CB 3.32Å; Q384-S405 WeakPolarHBondContact O-CB 3.4Å; F386-S405 PolarHBondContact N-OG 2.94Å; I400-S405 WeakPolarHBondContact CG2-OG 3.13Å; N401-S405 WeakPolarHBondContact O-CB 3.35Å; N401-S405 PolarHBondContact O-N 3.03Å; N401-S405 PolarHBondContact O-OG 2.92Å; S405-K426 PolarHBondContact O-NZ 3.15Å
406	V	94.2	Very high	92.5	Very high	54 Å²	54	43 Å²	43	33%	0.327	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.1	-172.1	179.2	0	0	0	0	109.3	E200 G383 Q384 R408	E200-V406 VanDerWaalsContact OE1-O 3.09Å; G383-V406 CarbonylContact C-O 3.43Å; G383-V406 WeakPolarHBondContact CA-O 3.31Å; Q384-V406 PolarHBondContact N-O 2.93Å; Q384-V406 PolarHBondContact O-N 3.28Å; V406-R408 HydrophobicContact CG1-CG 4.4Å
407	S	94.5	Very high	92.6	Very high	13 Å²	13	41.4 Å²	41.4	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.1	164.8	164.4	0	0	0	0	107.2	P193 Q198 V409 G410	P193-S407 WeakPolarHBondContact O-CB 3.23Å; P193-S407 PolarHBondContact O-OG 2.71Å; Q198-S407 PolarHBondContact NE2-OG 2.96Å; S407-V409 VanDerWaalsContact C-N 3.27Å; S407-V409 PolarHBondContact O-N 3.36Å; S407-G410 PolarHBondContact O-N 2.73Å; S407-G410 VanDerWaalsContact O-N 3.17Å; S407-G410 PolarHBondContact OG-N 3.28Å
408	R	93.5	Very high	92.7	Very high	139 Å²	139	36.1 Å²	36.1	53%	0.525	21%	0.211	S	C	.	.	S	Bend	trans	-72.1	-22.3	-177.3	-58.5	176.9	-56.6	-163.4	15.4	112	T381 D382 V406	T381-R408 PolarHBondContact O-NH1 2.8Å; T381-R408 VanDerWaalsContact O-NH1 3.1Å; T381-R408 PolarHBondContact O-NH2 3.24Å; D382-R408 VanDerWaalsContact C-NE 3.32Å; D382-R408 WeakPolarHBondContact O-CA 3.48Å; D382-R408 WeakPolarHBondContact O-CB 3.48Å; D382-R408 WeakPolarHBondContact O-CG 3.47Å; D382-R408 PolarHBondContact O-N 3.1Å; D382-R408 PolarHBondContact O-NE 2.92Å; D382-R408 VanDerWaalsContact O-NE 3.11Å; D382-R408 IonicContact OD1-NH2 3.37Å; D382-R408 PolarHBondContact OD1-NH2 3.48Å; V406-R408 HydrophobicContact CG1-CG 4.4Å
409	V	92.3	Very high	92.7	Very high	39 Å²	39	39.7 Å²	39.7	24%	0.236	22%	0.224	C	C	.	.	S	Bend	trans	-71	-37.1	170	-179	0	0	0	0	110.6	V177 Q198 D382 S407 A412 A413	V177-V409 HydrophobicContact CB-CG1 4.29Å; V177-V409 HydrophobicContact CG1-CG1 4.29Å; Q198-V409 HydrophobicContact CG-CG2 3.94Å; D382-V409 HydrophobicContact CB-CG2 4.42Å; S407-V409 VanDerWaalsContact C-N 3.27Å; S407-V409 PolarHBondContact O-N 3.36Å; V409-A412 HydrophobicContact CG1-CB 4.17Å; V409-A413 HydrophobicContact CG1-CB 3.88Å
410	G	91.2	Very high	92.5	Very high	20 Å²	20	44.7 Å²	44.7	21%	0.206	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	61.6	-143	173.5	0	0	0	0	0	113.4	P193 S407 A412 A413	P193-G410 VanDerWaalsContact CG-O 3.3Å; P193-G410 WeakPolarHBondContact CG-O 3.23Å; S407-G410 PolarHBondContact O-N 2.73Å; S407-G410 VanDerWaalsContact O-N 3.17Å; S407-G410 PolarHBondContact OG-N 3.28Å; G410-A412 PolarHBondContact O-N 3.04Å; G410-A413 PolarHBondContact O-N 2.8Å
411	S	90.3	Very high	92.4	Very high	50 Å²	50	44.7 Å²	44.7	35%	0.35	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-63.4	-8.9	-173	72	0	0	0	0	115.6	A413 Q414 K419	S411-A413 PolarHBondContact O-N 3.19Å; S411-Q414 PolarHBondContact O-N 2.66Å; S411-K419 VanDerWaalsContact OG-CE 3.32Å; S411-K419 WeakPolarHBondContact OG-CE 3.23Å; S411-K419 PolarHBondContact OG-NZ 3.02Å; S411-K419 VanDerWaalsContact OG-NZ 3.12Å
412	A	92.5	Very high	92.3	Very high	51 Å²	51	44.1 Å²	44.1	42%	0.421	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-67.6	-22.6	172.4	0	0	0	0	0	112.4	V409 G410	V409-A412 HydrophobicContact CG1-CB 4.17Å; G410-A412 PolarHBondContact O-N 3.04Å
413	A	93.3	Very high	92.2	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-94.9	19.1	175.4	0	0	0	0	0	113.3	P180 P193 V409 G410 S411	P180-A413 WeakPolarHBondContact CA-O 3.49Å; P180-A413 VanDerWaalsContact CB-O 3.24Å; P180-A413 WeakPolarHBondContact CB-O 3.45Å; P193-A413 HydrophobicContact CB-CB 4.35Å; V409-A413 HydrophobicContact CG1-CB 3.88Å; G410-A413 PolarHBondContact O-N 2.8Å; S411-A413 PolarHBondContact O-N 3.19Å
414	Q	93.2	Very high	92.2	Very high	26 Å²	26	52.7 Å²	52.7	12%	0.121	28%	0.277	C	S	.	.	S	Bend	trans	-116	153.6	177.4	-73.9	178.8	-34.7	0	0	111.7	D189 S190 P193 S411 M418 K419	D189-Q414 PolarHBondContact O-NE2 2.95Å; S190-Q414 PolarHBondContact O-NE2 3.36Å; P193-Q414 HydrophobicContact CB-CG 3.39Å; P193-Q414 HydrophobicContact CG-CG 3.67Å; S411-Q414 PolarHBondContact O-N 2.66Å; Q414-M418 HydrophobicContact CB-CB 4.48Å; Q414-M418 HydrophobicContact CG-CG 4.39Å; Q414-K419 HydrophobicContact CB-CB 4.44Å
415	T	93.2	Very high	92.2	Very high	33 Å²	33	48.6 Å²	48.6	20%	0.202	26%	0.256	C	S	.	.			trans	-65	151.3	162.6	59.6	0	0	0	0	109.5	P180 A417 M418 K419 I473	P180-T415 HydrophobicContact CG-CG2 4.15Å; T415-A417 PolarHBondContact O-N 3.47Å; T415-M418 PolarHBondContact O-N 2.9Å; T415-M418 WeakPolarHBondContact OG1-CB 3.15Å; T415-M418 PolarHBondContact OG1-N 3.22Å; T415-K419 PolarHBondContact O-N 2.71Å; T415-I473 HydrophobicContact CG2-CG1 4.36Å
416	K	93.8	Very high	91.8	Very high	129 Å²	129	51.8 Å²	51.8	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-58.3	-38.7	178.7	-70.2	175.6	171.3	178.2	0	111.6	K419 Q420 G522 E523	K416-K419 PolarHBondContact O-N 3.21Å; K416-Q420 VanDerWaalsContact O-CG 3.3Å; K416-Q420 WeakPolarHBondContact O-CG 3.29Å; K416-Q420 PolarHBondContact O-N 3.25Å; K416-G522 WeakPolarHBondContact CB-O 3.49Å; K416-G522 PolarHBondContact N-O 3.1Å; K416-E523 HydrophobicContact CB-CB 3.8Å; K416-E523 HydrophobicContact CD-CB 3.98Å; K416-E523 VanDerWaalsContact CD-OE2 3.29Å; K416-E523 WeakPolarHBondContact CD-OE2 3.49Å; K416-E523 IonicContact NZ-OE2 3.99Å; K416-E523 PolarHBondContact NZ-OE2 2.99Å
417	A	94.5	Very high	91.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-48.6	176.1	0	0	0	0	0	111.9	T415 K419 Q420 V421 V477 I518 G522 L524	T415-A417 PolarHBondContact O-N 3.47Å; A417-K419 PolarHBondContact O-N 3.02Å; A417-Q420 PolarHBondContact O-N 3.02Å; A417-V421 PolarHBondContact O-N 3.02Å; A417-V477 HydrophobicContact CB-CG1 4.28Å; A417-V477 HydrophobicContact CB-CG2 4.15Å; A417-I518 HydrophobicContact CB-CG2 4.35Å; A417-G522 WeakPolarHBondContact CB-O 3.43Å; A417-G522 PolarHBondContact N-O 3.01Å; A417-L524 HydrophobicContact CB-CD2 4.49Å; A417-L524 HydrophobicContact CB-CG 4.09Å
418	M	95.5	Very high	91.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-41.7	176.9	-176.3	55.6	74.5	0	0	111.3	Q414 T415 Q420 V421 A422 I473 Q476 V477	Q414-M418 HydrophobicContact CB-CB 4.48Å; Q414-M418 HydrophobicContact CG-CG 4.39Å; T415-M418 PolarHBondContact O-N 2.9Å; T415-M418 WeakPolarHBondContact OG1-CB 3.15Å; T415-M418 PolarHBondContact OG1-N 3.22Å; M418-Q420 VanDerWaalsContact C-N 3.31Å; M418-Q420 PolarHBondContact O-N 2.8Å; M418-V421 WeakPolarHBondContact O-CG2 3.47Å; M418-V421 PolarHBondContact O-N 2.84Å; M418-V421 HydrophobicContact SD-CG2 3.96Å; M418-A422 HydrophobicContact CG-CB 4.36Å; M418-A422 VanDerWaalsContact O-CB 3.3Å; M418-A422 WeakPolarHBondContact O-CB 3.49Å; M418-A422 PolarHBondContact O-N 2.9Å; M418-A422 HydrophobicContact SD-CB 3.82Å; M418-I473 HydrophobicContact CB-CD1 4.22Å; M418-I473 HydrophobicContact CE-CD1 3.48Å; M418-I473 VanDerWaalsContact CE-CD1 3.48Å; M418-I473 HydrophobicContact CG-CD1 4.47Å; M418-Q476 HydrophobicContact CE-CB 3.82Å; M418-V477 HydrophobicContact CB-CG2 4.31Å; M418-V477 HydrophobicContact CE-CG2 3.9Å
419	K	93.8	Very high	91.1	Very high	102 Å²	102	48.1 Å²	48.1	44%	0.443	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-40.4	176.5	-178.5	175.6	-179.5	165.2	0	112.5	S411 Q414 T415 K416 A417 G423	S411-K419 VanDerWaalsContact OG-CE 3.32Å; S411-K419 WeakPolarHBondContact OG-CE 3.23Å; S411-K419 PolarHBondContact OG-NZ 3.02Å; S411-K419 VanDerWaalsContact OG-NZ 3.12Å; Q414-K419 HydrophobicContact CB-CB 4.44Å; T415-K419 PolarHBondContact O-N 2.71Å; K416-K419 PolarHBondContact O-N 3.21Å; A417-K419 PolarHBondContact O-N 3.02Å; K419-G423 PolarHBondContact O-N 2.77Å; K419-G423 VanDerWaalsContact O-N 3.14Å
420	Q	92	Very high	90.8	Very high	107 Å²	107	47.9 Å²	47.9	50%	0.5	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-38.5	178.1	-76.5	169.6	-33.5	0	0	112.4	K416 A417 M418	K416-Q420 VanDerWaalsContact O-CG 3.3Å; K416-Q420 WeakPolarHBondContact O-CG 3.29Å; K416-Q420 PolarHBondContact O-N 3.25Å; A417-Q420 PolarHBondContact O-N 3.02Å; M418-Q420 VanDerWaalsContact C-N 3.31Å; M418-Q420 PolarHBondContact O-N 2.8Å
421	V	92.1	Very high	90.6	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-89.1	-37.9	-177.2	-57.5	0	0	0	0	113.4	A417 M418 V477 I480 Y481 V484 L524	A417-V421 PolarHBondContact O-N 3.02Å; M418-V421 WeakPolarHBondContact O-CG2 3.47Å; M418-V421 PolarHBondContact O-N 2.84Å; M418-V421 HydrophobicContact SD-CG2 3.96Å; V421-V477 HydrophobicContact CG1-CG1 4.26Å; V421-V477 HydrophobicContact CG2-CG1 4.38Å; V421-I480 HydrophobicContact CB-CG2 4.26Å; V421-I480 HydrophobicContact CG2-CB 4.29Å; V421-I480 HydrophobicContact CG2-CG2 3.9Å; V421-Y481 HydrophobicContact CG1-CD2 3.9Å; V421-V484 WeakPolarHBondContact O-CG1 3.26Å; V421-L524 HydrophobicContact CG1-CD1 3.55Å
422	A	90.4	Very high	90.6	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-93.2	-12.6	-173.7	0	0	0	0	0	114	M418 R424 M425	M418-A422 HydrophobicContact CG-CB 4.36Å; M418-A422 VanDerWaalsContact O-CB 3.3Å; M418-A422 WeakPolarHBondContact O-CB 3.49Å; M418-A422 PolarHBondContact O-N 2.9Å; M418-A422 HydrophobicContact SD-CB 3.82Å; A422-R424 PolarHBondContact O-N 3.5Å; A422-M425 VanDerWaalsContact O-CB 3.28Å; A422-M425 WeakPolarHBondContact O-CB 3.25Å; A422-M425 PolarHBondContact O-N 3.3Å
423	G	86.4	Confident	90.3	Very high	56 Å²	56	51.3 Å²	51.3	58%	0.577	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30	-172.5	0	0	0	0	0	115	K419	K419-G423 PolarHBondContact O-N 2.77Å; K419-G423 VanDerWaalsContact O-N 3.14Å
424	R	85.5	Confident	89.9	Confident	186 Å²	186	57.4 Å²	57.4	70%	0.702	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-20.6	175.3	-64.4	-176.9	178	179.9	-1.5	113.6	A422 K426 L427 E428	A422-R424 PolarHBondContact O-N 3.5Å; R424-K426 PolarHBondContact O-N 2.8Å; R424-L427 PolarHBondContact O-N 2.92Å; R424-E428 WeakPolarHBondContact O-CG 3.22Å; R424-E428 PolarHBondContact O-N 2.79Å
425	M	90	Very high	89.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-40.5	-169.7	-170.5	-179.3	-176	0	0	112.8	L191 A422 L427 E428 L429 L459 L463 I480 V484	L191-M425 HydrophobicContact CD2-CB 4.39Å; L191-M425 HydrophobicContact CD2-CG 4.09Å; L191-M425 HydrophobicContact CD2-SD 4.21Å; A422-M425 VanDerWaalsContact O-CB 3.28Å; A422-M425 WeakPolarHBondContact O-CB 3.25Å; A422-M425 PolarHBondContact O-N 3.3Å; M425-L427 PolarHBondContact O-N 2.86Å; M425-E428 PolarHBondContact O-N 3.46Å; M425-L429 HydrophobicContact CE-CD1 4.08Å; M425-L429 HydrophobicContact CG-CD1 4.09Å; M425-L429 WeakPolarHBondContact O-CB 3.45Å; M425-L429 WeakPolarHBondContact O-CG 3.34Å; M425-L429 PolarHBondContact O-N 3.28Å; M425-L459 HydrophobicContact CE-CB 4.33Å; M425-L459 HydrophobicContact CE-CD2 4.25Å; M425-L459 HydrophobicContact CG-CD1 4.5Å; M425-L463 HydrophobicContact CE-CD1 3.76Å; M425-L463 HydrophobicContact CE-CD2 3.52Å; M425-L463 HydrophobicContact CE-CG 3.56Å; M425-I480 HydrophobicContact CE-CD1 3.95Å; M425-I480 HydrophobicContact SD-CD1 4.08Å; M425-I480 HydrophobicContact SD-CG2 3.92Å; M425-V484 HydrophobicContact CB-CG2 4.06Å; M425-V484 HydrophobicContact CG-CG2 4.07Å; M425-V484 HydrophobicContact SD-CG2 4.16Å
426	K	86.3	Confident	89.3	Confident	67 Å²	67	57.2 Å²	57.2	29%	0.291	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-43.2	179.4	-174	171.4	-173.3	164.4	0	112.1	L191 V402 S405 R424 A430	L191-K426 HydrophobicContact CD2-CB 4.13Å; V402-K426 HydrophobicContact CG1-CG 4.2Å; S405-K426 PolarHBondContact O-NZ 3.15Å; R424-K426 PolarHBondContact O-N 2.8Å; K426-A430 WeakPolarHBondContact O-CB 3.23Å; K426-A430 PolarHBondContact O-N 3.16Å
427	L	86.7	Confident	88.9	Confident	104 Å²	104	53.6 Å²	53.6	55%	0.545	28%	0.275	S	S	.	.	H	α-helix	trans	-68	-43	179.1	-176.9	151.6	0	0	0	110.9	R424 M425 L429 A430 Q431	R424-L427 PolarHBondContact O-N 2.92Å; M425-L427 PolarHBondContact O-N 2.86Å; L427-L429 PolarHBondContact O-N 2.96Å; L427-A430 PolarHBondContact O-N 2.72Å; L427-Q431 VanDerWaalsContact CD2-CD 3.47Å; L427-Q431 HydrophobicContact CD2-CG 4.18Å; L427-Q431 WeakPolarHBondContact O-CG 3.39Å; L427-Q431 PolarHBondContact O-N 2.94Å
428	E	88.3	Confident	88.3	Confident	21 Å²	21	61 Å²	61	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-40.7	177.6	-69.1	178.4	175.1	0	0	112.4	R424 M425 Y432 R455	R424-E428 WeakPolarHBondContact O-CG 3.22Å; R424-E428 PolarHBondContact O-N 2.79Å; M425-E428 PolarHBondContact O-N 3.46Å; E428-Y432 VanDerWaalsContact O-CB 3.29Å; E428-Y432 WeakPolarHBondContact O-CB 3.37Å; E428-Y432 PolarHBondContact O-N 3.12Å; E428-R455 IonicContact OE1-CZ 3.18Å; E428-R455 IonicContact OE1-NH1 2.73Å; E428-R455 PolarHBondContact OE1-NH1 2.84Å; E428-R455 IonicContact OE1-NH2 3Å; E428-R455 PolarHBondContact OE1-NH2 3.08Å; E428-R455 IonicContact OE2-CZ 3.28Å; E428-R455 VanDerWaalsContact OE2-CZ 3.28Å; E428-R455 IonicContact OE2-NE 3.82Å; E428-R455 IonicContact OE2-NH1 3.09Å; E428-R455 PolarHBondContact OE2-NH1 2.89Å; E428-R455 VanDerWaalsContact OE2-NH1 3.09Å; E428-R455 IonicContact OE2-NH2 3.59Å
429	L	91.2	Very high	87.8	Confident	4 Å²	4	62 Å²	62	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-70.5	-32	175.5	-77.1	172.9	0	0	0	113.1	L191 V402 M425 L427 Y432 R433 L459 L463	L191-L429 HydrophobicContact CD1-CD1 4.12Å; L191-L429 HydrophobicContact CD2-CD1 4.1Å; V402-L429 HydrophobicContact CG1-CB 4.12Å; V402-L429 HydrophobicContact CG2-CD1 4.44Å; M425-L429 HydrophobicContact CE-CD1 4.08Å; M425-L429 HydrophobicContact CG-CD1 4.09Å; M425-L429 WeakPolarHBondContact O-CB 3.45Å; M425-L429 WeakPolarHBondContact O-CG 3.34Å; M425-L429 PolarHBondContact O-N 3.28Å; L427-L429 PolarHBondContact O-N 2.96Å; L429-Y432 HydrophobicContact CD2-CD1 4.41Å; L429-R433 PolarHBondContact O-N 2.74Å; L429-R433 VanDerWaalsContact O-N 3.13Å; L429-L459 HydrophobicContact CD2-CB 3.79Å; L429-L459 HydrophobicContact CD2-CD1 4.47Å; L429-L459 HydrophobicContact CG-CB 4.4Å; L429-L459 HydrophobicContact CG-CD1 4.46Å; L429-L463 HydrophobicContact CD1-CD1 3.56Å
430	A	86.6	Confident	87.3	Confident	35 Å²	35	64.5 Å²	64.5	29%	0.289	33%	0.329	S	S	.	.	H	α-helix	trans	-67	-49.5	173.6	0	0	0	0	0	111	K426 L427 Y432 R433 E434	K426-A430 WeakPolarHBondContact O-CB 3.23Å; K426-A430 PolarHBondContact O-N 3.16Å; L427-A430 PolarHBondContact O-N 2.72Å; A430-Y432 VanDerWaalsContact C-N 3.3Å; A430-Y432 PolarHBondContact O-N 2.84Å; A430-R433 PolarHBondContact O-N 3.4Å; A430-R433 VanDerWaalsContact O-N 3.09Å; A430-E434 PolarHBondContact O-N 3.14Å; A430-E434 VanDerWaalsContact O-N 3.13Å
431	Q	87.7	Confident	86.8	Confident	75 Å²	75	67.9 Å²	67.9	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-42.2	174.4	-72.7	179.3	-18.5	0	0	111.7	L427 R433 E434 V435	L427-Q431 VanDerWaalsContact CD2-CD 3.47Å; L427-Q431 HydrophobicContact CD2-CG 4.18Å; L427-Q431 WeakPolarHBondContact O-CG 3.39Å; L427-Q431 PolarHBondContact O-N 2.94Å; Q431-R433 VanDerWaalsContact C-N 3.31Å; Q431-R433 PolarHBondContact O-N 2.82Å; Q431-E434 PolarHBondContact O-N 3.43Å; Q431-V435 WeakPolarHBondContact O-CB 3.39Å; Q431-V435 VanDerWaalsContact O-CG2 3.26Å; Q431-V435 WeakPolarHBondContact O-CG2 3.2Å; Q431-V435 PolarHBondContact O-N 3.17Å
432	Y	90.3	Very high	85.9	Confident	43 Å²	43	69.3 Å²	69.3	17%	0.169	36%	0.358	C	S	.	.	H	α-helix	trans	-55.5	-44.8	174.1	164.5	-113.4	0	0	0	112.2	E428 L429 A430 V435 A436 L453 V457	E428-Y432 VanDerWaalsContact O-CB 3.29Å; E428-Y432 WeakPolarHBondContact O-CB 3.37Å; E428-Y432 PolarHBondContact O-N 3.12Å; L429-Y432 HydrophobicContact CD2-CD1 4.41Å; A430-Y432 VanDerWaalsContact C-N 3.3Å; A430-Y432 PolarHBondContact O-N 2.84Å; Y432-V435 PolarHBondContact O-N 3.3Å; Y432-A436 HydrophobicContact CD2-CB 4.48Å; Y432-A436 HydrophobicContact CE2-CB 4.14Å; Y432-A436 WeakPolarHBondContact O-CB 3.07Å; Y432-A436 PolarHBondContact O-N 3.07Å; Y432-L453 HydrophobicContact CD2-CD2 3.97Å; Y432-L453 HydrophobicContact CE2-CD2 3.9Å; Y432-V457 HydrophobicContact CE2-CG2 3.89Å; Y432-V457 WeakPolarHBondContact OH-CG2 3.45Å
433	R	85.9	Confident	85.3	Confident	75 Å²	75	75 Å²	75	28%	0.283	40%	0.398	S	S	.	.	H	α-helix	trans	-65.4	-42.2	179.5	-77.7	-167	178	-146.1	-0.8	112.5	E388 L391 N401 L429 A430 Q431 A436 A437	E388-R433 IonicContact OE2-NH1 3.79Å; L391-R433 VanDerWaalsContact CD1-NH2 3.27Å; N401-R433 PolarHBondContact ND2-NH1 2.8Å; N401-R433 VanDerWaalsContact ND2-NH1 3.19Å; N401-R433 PolarHBondContact OD1-NH1 3.14Å; L429-R433 PolarHBondContact O-N 2.74Å; L429-R433 VanDerWaalsContact O-N 3.13Å; A430-R433 PolarHBondContact O-N 3.4Å; A430-R433 VanDerWaalsContact O-N 3.09Å; Q431-R433 VanDerWaalsContact C-N 3.31Å; Q431-R433 PolarHBondContact O-N 2.82Å; R433-A436 PolarHBondContact O-N 3.41Å; R433-A437 PolarHBondContact O-N 3Å
434	E	84.8	Confident	85.1	Confident	131 Å²	131	79.7 Å²	79.7	61%	0.612	41%	0.41	S	S	*	.	H	α-helix	trans	-59.7	-51.4	175.8	-69.1	177.2	176.6	0	0	110.2	A430 Q431 A436 A437 F438	A430-E434 PolarHBondContact O-N 3.14Å; A430-E434 VanDerWaalsContact O-N 3.13Å; Q431-E434 PolarHBondContact O-N 3.43Å; E434-A436 PolarHBondContact O-N 3.04Å; E434-A437 WeakPolarHBondContact O-CB 3.45Å; E434-A437 PolarHBondContact O-N 3.29Å; E434-F438 WeakPolarHBondContact O-CD2 3.11Å; E434-F438 PolarHBondContact O-N 3.21Å
435	V	88.1	Confident	85	Confident	29 Å²	29	73 Å²	73	18%	0.176	39%	0.388	C	S	.	.	H	α-helix	trans	-64.9	-38.9	-179.7	176.1	0	0	0	0	112.2	Q431 Y432 A437 F438 A439 T449 L453	Q431-V435 WeakPolarHBondContact O-CB 3.39Å; Q431-V435 VanDerWaalsContact O-CG2 3.26Å; Q431-V435 WeakPolarHBondContact O-CG2 3.2Å; Q431-V435 PolarHBondContact O-N 3.17Å; Y432-V435 PolarHBondContact O-N 3.3Å; V435-A437 VanDerWaalsContact C-N 3.25Å; V435-A437 PolarHBondContact O-N 3.03Å; V435-F438 PolarHBondContact O-N 3.27Å; V435-F438 VanDerWaalsContact O-N 3.11Å; V435-A439 WeakPolarHBondContact O-CB 3.36Å; V435-A439 PolarHBondContact O-N 3.36Å; V435-T449 HydrophobicContact CG1-CG2 3.42Å; V435-T449 VanDerWaalsContact CG1-CG2 3.42Å; V435-L453 HydrophobicContact CB-CD2 4.35Å; V435-L453 HydrophobicContact CG1-CD1 4.23Å; V435-L453 HydrophobicContact CG1-CD2 3.78Å; V435-L453 HydrophobicContact CG1-CG 3.81Å
436	A	86.7	Confident	85	Confident	25 Å²	25	77 Å²	77	21%	0.207	41%	0.409	C	S	.	.	H	α-helix	trans	-63.9	-30.1	178.6	0	0	0	0	0	112.7	Y432 R433 E434 L453	Y432-A436 HydrophobicContact CD2-CB 4.48Å; Y432-A436 HydrophobicContact CE2-CB 4.14Å; Y432-A436 WeakPolarHBondContact O-CB 3.07Å; Y432-A436 PolarHBondContact O-N 3.07Å; R433-A436 PolarHBondContact O-N 3.41Å; E434-A436 PolarHBondContact O-N 3.04Å; A436-L453 HydrophobicContact CB-CD2 4Å
437	A	83.4	Confident	85.2	Confident	53 Å²	53	77.6 Å²	77.6	44%	0.438	43%	0.427	S	S	.	.	H	α-helix	trans	-68.7	-39	172.7	0	0	0	0	0	111.7	R433 E434 V435 F441	R433-A437 PolarHBondContact O-N 3Å; E434-A437 WeakPolarHBondContact O-CB 3.45Å; E434-A437 PolarHBondContact O-N 3.29Å; V435-A437 VanDerWaalsContact C-N 3.25Å; V435-A437 PolarHBondContact O-N 3.03Å; A437-F441 WeakPolarHBondContact O-CD2 3.37Å; A437-F441 WeakPolarHBondContact O-CE2 3.47Å
438	F	83.4	Confident	85.3	Confident	157 Å²	157	76.2 Å²	76.2	69%	0.689	43%	0.426	S	S	*	.	H	α-helix	trans	-75.6	-36.3	177.5	-67.7	-68.2	0	0	0	113.3	E434 V435 Q440 F441	E434-F438 WeakPolarHBondContact O-CD2 3.11Å; E434-F438 PolarHBondContact O-N 3.21Å; V435-F438 PolarHBondContact O-N 3.27Å; V435-F438 VanDerWaalsContact O-N 3.11Å; F438-Q440 PolarHBondContact O-N 2.97Å; F438-Q440 VanDerWaalsContact O-N 3.14Å; F438-F441 PolarHBondContact O-N 3.01Å
439	A	85.2	Confident	85.3	Confident	23 Å²	23	76.4 Å²	76.4	19%	0.19	43%	0.429	C	S	.	.	H	α-helix	trans	-62.2	-20.8	-178.7	0	0	0	0	0	113.5	V435 F441 L445 L453	V435-A439 WeakPolarHBondContact O-CB 3.36Å; V435-A439 PolarHBondContact O-N 3.36Å; A439-F441 PolarHBondContact O-N 2.91Å; A439-L445 HydrophobicContact CB-CD1 3.88Å; A439-L445 HydrophobicContact CB-CD2 4.42Å; A439-L453 HydrophobicContact CB-CD1 3.68Å; A439-L453 HydrophobicContact CB-CD2 4.31Å
440	Q	81.8	Confident	85.1	Confident	154 Å²	154	80.7 Å²	80.7	72%	0.72	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.6	173.9	-69.1	177.8	10.8	0	0	113.2	F438	F438-Q440 PolarHBondContact O-N 2.97Å; F438-Q440 VanDerWaalsContact O-N 3.14Å
441	F	81.6	Confident	85.2	Confident	179 Å²	179	82 Å²	82	79%	0.785	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-8.7	-176.3	-56.4	-75.4	0	0	0	113.9	A437 F438 A439	A437-F441 WeakPolarHBondContact O-CD2 3.37Å; A437-F441 WeakPolarHBondContact O-CE2 3.47Å; F438-F441 PolarHBondContact O-N 3.01Å; A439-F441 PolarHBondContact O-N 2.91Å
442	G	74.5	Confident	85.3	Confident	35 Å²	35	80.5 Å²	80.5	36%	0.361	45%	0.45	S	S	.	.			trans	-109.7	130.4	-175.3	0	0	0	0	0	112.7
443	S	76.6	Confident	85.3	Confident	123 Å²	123	79.8 Å²	79.8	86%	0.86	45%	0.449	S	S	*	.	S	Bend	trans	-84.8	-33.9	174.3	55.8	0	0	0	0	113.2
444	D	81.9	Confident	85.6	Confident	154 Å²	154	80.2 Å²	80.2	82%	0.824	46%	0.456	S	S	*	.			trans	-113.3	107.6	177.8	-93	-34.2	0	0	0	110.1
445	L	84.8	Confident	85.9	Confident	46 Å²	46	76.4 Å²	76.4	24%	0.241	44%	0.437	C	S	.	.			trans	-102.1	135.8	174	-57.6	175.7	0	0	0	108.9	A439 T449 Q450 L453	A439-L445 HydrophobicContact CB-CD1 3.88Å; A439-L445 HydrophobicContact CB-CD2 4.42Å; L445-T449 HydrophobicContact CB-CG2 4.07Å; L445-T449 HydrophobicContact CD1-CG2 4.35Å; L445-T449 HydrophobicContact CD2-CG2 4.08Å; L445-T449 HydrophobicContact CG-CG2 4.4Å; L445-Q450 HydrophobicContact CB-CG 3.85Å; L445-Q450 PolarHBondContact O-NE2 3.45Å; L445-L453 HydrophobicContact CD1-CD1 3.45Å; L445-L453 VanDerWaalsContact CD1-CD1 3.45Å
446	D	89	Confident	86.1	Confident	84 Å²	84	75.1 Å²	75.1	45%	0.449	43%	0.429	S	S	.	.			trans	-64.5	158.7	174.6	70.2	-83.4	0	0	0	111.6	S448 T449 Q450	D446-S448 PolarHBondContact O-N 3.01Å; D446-S448 VanDerWaalsContact O-N 3.14Å; D446-S448 WeakPolarHBondContact OD2-CA 3.35Å; D446-S448 VanDerWaalsContact OD2-CB 3.31Å; D446-S448 WeakPolarHBondContact OD2-CB 3.35Å; D446-S448 PolarHBondContact OD2-N 3.38Å; D446-S448 PolarHBondContact OD2-OG 2.92Å; D446-T449 VanDerWaalsContact CG-OG1 3.31Å; D446-T449 WeakPolarHBondContact O-CB 3.5Å; D446-T449 PolarHBondContact O-N 3.45Å; D446-T449 VanDerWaalsContact O-N 3.12Å; D446-T449 WeakPolarHBondContact OD1-CB 3.32Å; D446-T449 PolarHBondContact OD1-OG1 2.91Å; D446-T449 PolarHBondContact OD2-N 2.95Å; D446-T449 PolarHBondContact OD2-OG1 3.01Å; D446-Q450 WeakPolarHBondContact O-CG 3.23Å; D446-Q450 PolarHBondContact O-N 3.36Å
447	A	90	Very high	86.4	Confident	80 Å²	80	76 Å²	76	66%	0.661	43%	0.432	S	S	*	.	H	α-helix	trans	-58.8	-30.5	-174.6	0	0	0	0	0	113.8	S451	A447-S451 WeakPolarHBondContact O-CB 3.47Å; A447-S451 PolarHBondContact O-N 3.18Å
448	S	89.4	Confident	86.9	Confident	75 Å²	75	74.7 Å²	74.7	52%	0.524	42%	0.415	S	S	.	.	H	α-helix	trans	-72.6	-43.4	178.7	79.8	0	0	0	0	110.9	D446 S451 L452	D446-S448 PolarHBondContact O-N 3.01Å; D446-S448 VanDerWaalsContact O-N 3.14Å; D446-S448 WeakPolarHBondContact OD2-CA 3.35Å; D446-S448 VanDerWaalsContact OD2-CB 3.31Å; D446-S448 WeakPolarHBondContact OD2-CB 3.35Å; D446-S448 PolarHBondContact OD2-N 3.38Å; D446-S448 PolarHBondContact OD2-OG 2.92Å; S448-S451 WeakPolarHBondContact O-CB 3.31Å; S448-S451 PolarHBondContact O-N 3.41Å; S448-L452 WeakPolarHBondContact O-CG 3.45Å; S448-L452 PolarHBondContact O-N 3.38Å
449	T	87.7	Confident	87.4	Confident	25 Å²	25	67.3 Å²	67.3	15%	0.153	38%	0.383	C	S	.	.	H	α-helix	trans	-61.4	-43.9	174	-64.1	0	0	0	0	111.4	V435 L445 D446 S451 L452 L453	V435-T449 HydrophobicContact CG1-CG2 3.42Å; V435-T449 VanDerWaalsContact CG1-CG2 3.42Å; L445-T449 HydrophobicContact CB-CG2 4.07Å; L445-T449 HydrophobicContact CD1-CG2 4.35Å; L445-T449 HydrophobicContact CD2-CG2 4.08Å; L445-T449 HydrophobicContact CG-CG2 4.4Å; D446-T449 VanDerWaalsContact CG-OG1 3.31Å; D446-T449 WeakPolarHBondContact O-CB 3.5Å; D446-T449 PolarHBondContact O-N 3.45Å; D446-T449 VanDerWaalsContact O-N 3.12Å; D446-T449 WeakPolarHBondContact OD1-CB 3.32Å; D446-T449 PolarHBondContact OD1-OG1 2.91Å; D446-T449 PolarHBondContact OD2-N 2.95Å; D446-T449 PolarHBondContact OD2-OG1 3.01Å; T449-S451 PolarHBondContact O-N 3.38Å; T449-L452 PolarHBondContact O-N 3.35Å; T449-L453 HydrophobicContact CG2-CD1 4.41Å; T449-L453 WeakPolarHBondContact O-CG 3.39Å; T449-L453 PolarHBondContact O-N 2.97Å
450	Q	88.1	Confident	87.8	Confident	94 Å²	94	67.5 Å²	67.5	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-42.2	174.7	-68.4	-175	14.2	0	0	112.3	L445 D446 L453 N454	L445-Q450 HydrophobicContact CB-CG 3.85Å; L445-Q450 PolarHBondContact O-NE2 3.45Å; D446-Q450 WeakPolarHBondContact O-CG 3.23Å; D446-Q450 PolarHBondContact O-N 3.36Å; Q450-L453 PolarHBondContact O-N 2.88Å; Q450-N454 VanDerWaalsContact O-CB 3.25Å; Q450-N454 WeakPolarHBondContact O-CB 3.46Å; Q450-N454 VanDerWaalsContact O-CG 3.23Å; Q450-N454 PolarHBondContact O-N 3.28Å; Q450-N454 PolarHBondContact O-ND2 2.7Å; Q450-N454 VanDerWaalsContact O-ND2 3.11Å
451	S	88.8	Confident	88.3	Confident	63 Å²	63	61.8 Å²	61.8	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-43	176.2	-177.8	0	0	0	0	111.8	A447 S448 T449 N454 R455	A447-S451 WeakPolarHBondContact O-CB 3.47Å; A447-S451 PolarHBondContact O-N 3.18Å; S448-S451 WeakPolarHBondContact O-CB 3.31Å; S448-S451 PolarHBondContact O-N 3.41Å; T449-S451 PolarHBondContact O-N 3.38Å; S451-N454 PolarHBondContact O-N 3.13Å; S451-R455 WeakPolarHBondContact O-CB 3.35Å; S451-R455 PolarHBondContact O-N 2.91Å
452	L	89.5	Confident	89	Confident	43 Å²	43	53.3 Å²	53.3	23%	0.225	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-44.4	176.1	-72.4	173.1	0	0	0	112.4	S448 T449 G456	S448-L452 WeakPolarHBondContact O-CG 3.45Å; S448-L452 PolarHBondContact O-N 3.38Å; T449-L452 PolarHBondContact O-N 3.35Å; L452-G456 PolarHBondContact O-N 2.91Å
453	L	91	Very high	89.9	Confident	27 Å²	27	52.5 Å²	52.5	14%	0.141	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-49.2	175.6	-72.6	173.3	0	0	0	111.8	Y432 V435 A436 A439 L445 T449 Q450 R455 G456 V457	Y432-L453 HydrophobicContact CD2-CD2 3.97Å; Y432-L453 HydrophobicContact CE2-CD2 3.9Å; V435-L453 HydrophobicContact CB-CD2 4.35Å; V435-L453 HydrophobicContact CG1-CD1 4.23Å; V435-L453 HydrophobicContact CG1-CD2 3.78Å; V435-L453 HydrophobicContact CG1-CG 3.81Å; A436-L453 HydrophobicContact CB-CD2 4Å; A439-L453 HydrophobicContact CB-CD1 3.68Å; A439-L453 HydrophobicContact CB-CD2 4.31Å; L445-L453 HydrophobicContact CD1-CD1 3.45Å; L445-L453 VanDerWaalsContact CD1-CD1 3.45Å; T449-L453 HydrophobicContact CG2-CD1 4.41Å; T449-L453 WeakPolarHBondContact O-CG 3.39Å; T449-L453 PolarHBondContact O-N 2.97Å; Q450-L453 PolarHBondContact O-N 2.88Å; L453-R455 VanDerWaalsContact C-N 3.31Å; L453-R455 PolarHBondContact O-N 2.95Å; L453-G456 PolarHBondContact O-N 2.95Å; L453-V457 WeakPolarHBondContact O-CG2 3.34Å; L453-V457 PolarHBondContact O-N 3.04Å
454	N	90.7	Very high	90.8	Very high	84 Å²	84	48.6 Å²	48.6	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-44	179.8	-81	-33.3	0	0	0	111.9	Q450 S451 R458	Q450-N454 VanDerWaalsContact O-CB 3.25Å; Q450-N454 WeakPolarHBondContact O-CB 3.46Å; Q450-N454 VanDerWaalsContact O-CG 3.23Å; Q450-N454 PolarHBondContact O-N 3.28Å; Q450-N454 PolarHBondContact O-ND2 2.7Å; Q450-N454 VanDerWaalsContact O-ND2 3.11Å; S451-N454 PolarHBondContact O-N 3.13Å; N454-R458 VanDerWaalsContact C-NH1 3.35Å; N454-R458 WeakPolarHBondContact O-CD 3.39Å; N454-R458 WeakPolarHBondContact O-CG 3.28Å; N454-R458 PolarHBondContact O-N 2.95Å; N454-R458 PolarHBondContact O-NH1 2.87Å
455	R	91.2	Very high	91.5	Very high	52 Å²	52	42.1 Å²	42.1	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-44.9	177.8	-172.3	158.9	62.7	140	7.1	111.6	E428 S451 L453 V457 R458 L459	E428-R455 IonicContact OE1-CZ 3.18Å; E428-R455 IonicContact OE1-NH1 2.73Å; E428-R455 PolarHBondContact OE1-NH1 2.84Å; E428-R455 IonicContact OE1-NH2 3Å; E428-R455 PolarHBondContact OE1-NH2 3.08Å; E428-R455 IonicContact OE2-CZ 3.28Å; E428-R455 VanDerWaalsContact OE2-CZ 3.28Å; E428-R455 IonicContact OE2-NE 3.82Å; E428-R455 IonicContact OE2-NH1 3.09Å; E428-R455 PolarHBondContact OE2-NH1 2.89Å; E428-R455 VanDerWaalsContact OE2-NH1 3.09Å; E428-R455 IonicContact OE2-NH2 3.59Å; S451-R455 WeakPolarHBondContact O-CB 3.35Å; S451-R455 PolarHBondContact O-N 2.91Å; L453-R455 VanDerWaalsContact C-N 3.31Å; L453-R455 PolarHBondContact O-N 2.95Å; R455-V457 PolarHBondContact O-N 3.37Å; R455-R458 PolarHBondContact O-N 2.94Å; R455-L459 HydrophobicContact CG-CD1 4.12Å; R455-L459 HydrophobicContact CG-CG 4.33Å; R455-L459 WeakPolarHBondContact O-CG 3.47Å; R455-L459 PolarHBondContact O-N 2.83Å
456	G	92.4	Very high	91.9	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-38.4	-179.2	0	0	0	0	0	114.1	L452 L453 T460	L452-G456 PolarHBondContact O-N 2.91Å; L453-G456 PolarHBondContact O-N 2.95Å; G456-T460 WeakPolarHBondContact O-CB 3.43Å; G456-T460 PolarHBondContact O-N 3.29Å; G456-T460 PolarHBondContact O-OG1 3.03Å
457	V	92.7	Very high	92	Very high	43 Å²	43	45.9 Å²	45.9	26%	0.261	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-47.2	173.1	172.9	0	0	0	0	110.7	Y432 L453 R455 T460 E461 P493	Y432-V457 HydrophobicContact CE2-CG2 3.89Å; Y432-V457 WeakPolarHBondContact OH-CG2 3.45Å; L453-V457 WeakPolarHBondContact O-CG2 3.34Å; L453-V457 PolarHBondContact O-N 3.04Å; R455-V457 PolarHBondContact O-N 3.37Å; V457-T460 WeakPolarHBondContact O-CB 3.4Å; V457-T460 PolarHBondContact O-N 3.34Å; V457-E461 PolarHBondContact O-N 3.14Å; V457-P493 HydrophobicContact CG1-CB 3.73Å; V457-P493 HydrophobicContact CG1-CG 3.76Å
458	R	94	Very high	92.1	Very high	25 Å²	25	47 Å²	47	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-41.8	-179.2	-70.2	165	173.7	81.5	-0.3	112.4	N454 R455 T460 E461 L462 L488 D489 L491 I496	N454-R458 VanDerWaalsContact C-NH1 3.35Å; N454-R458 WeakPolarHBondContact O-CD 3.39Å; N454-R458 WeakPolarHBondContact O-CG 3.28Å; N454-R458 PolarHBondContact O-N 2.95Å; N454-R458 PolarHBondContact O-NH1 2.87Å; R455-R458 PolarHBondContact O-N 2.94Å; R458-T460 VanDerWaalsContact C-N 3.3Å; R458-T460 PolarHBondContact O-N 3.08Å; R458-E461 PolarHBondContact O-N 2.98Å; R458-L462 WeakPolarHBondContact O-CB 3.48Å; R458-L462 PolarHBondContact O-N 3.31Å; R458-L488 WeakPolarHBondContact CD-O 3.49Å; R458-L488 PolarHBondContact NE-O 2.88Å; R458-D489 PolarHBondContact NE-O 2.96Å; R458-D489 VanDerWaalsContact NE-O 3.14Å; R458-D489 PolarHBondContact NH2-O 3.25Å; R458-L491 PolarHBondContact NE-O 3.43Å; R458-L491 PolarHBondContact NH2-O 3.17Å; R458-I496 HydrophobicContact CB-CD1 4.15Å; R458-I496 HydrophobicContact CG-CD1 4.02Å; R458-I496 HydrophobicContact CG-CG1 4.35Å
459	L	94.1	Very high	92.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-36.9	173.9	-66.5	178.4	0	0	0	111.5	M425 L429 R455 L462 L463 V484	M425-L459 HydrophobicContact CE-CB 4.33Å; M425-L459 HydrophobicContact CE-CD2 4.25Å; M425-L459 HydrophobicContact CG-CD1 4.5Å; L429-L459 HydrophobicContact CD2-CB 3.79Å; L429-L459 HydrophobicContact CD2-CD1 4.47Å; L429-L459 HydrophobicContact CG-CB 4.4Å; L429-L459 HydrophobicContact CG-CD1 4.46Å; R455-L459 HydrophobicContact CG-CD1 4.12Å; R455-L459 HydrophobicContact CG-CG 4.33Å; R455-L459 WeakPolarHBondContact O-CG 3.47Å; R455-L459 PolarHBondContact O-N 2.83Å; L459-L462 HydrophobicContact CD2-CD2 4.49Å; L459-L462 PolarHBondContact O-N 3.43Å; L459-L463 WeakPolarHBondContact O-CG 3.39Å; L459-L463 PolarHBondContact O-N 3.12Å; L459-L463 VanDerWaalsContact O-N 3.09Å; L459-V484 HydrophobicContact CD2-CG2 4.18Å
460	T	93.4	Very high	92.6	Very high	27 Å²	27	45.7 Å²	45.7	17%	0.166	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-43.6	175.9	-58	0	0	0	0	111.6	I396 G456 V457 R458 L463	I396-T460 HydrophobicContact CD1-CG2 3.88Å; I396-T460 HydrophobicContact CG1-CG2 4.2Å; I396-T460 HydrophobicContact CG2-CG2 4.49Å; G456-T460 WeakPolarHBondContact O-CB 3.43Å; G456-T460 PolarHBondContact O-N 3.29Å; G456-T460 PolarHBondContact O-OG1 3.03Å; V457-T460 WeakPolarHBondContact O-CB 3.4Å; V457-T460 PolarHBondContact O-N 3.34Å; R458-T460 VanDerWaalsContact C-N 3.3Å; R458-T460 PolarHBondContact O-N 3.08Å; T460-L463 PolarHBondContact O-N 2.9Å
461	E	94.2	Very high	93	Very high	35 Å²	35	42 Å²	42	16%	0.164	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-41	174.4	-68.7	-57.5	136.8	0	0	112	V457 R458 L463 K464 P493 I496	V457-E461 PolarHBondContact O-N 3.14Å; R458-E461 PolarHBondContact O-N 2.98Å; E461-L463 VanDerWaalsContact C-N 3.25Å; E461-L463 PolarHBondContact O-N 3.47Å; E461-K464 WeakPolarHBondContact O-CB 3.34Å; E461-K464 PolarHBondContact O-N 2.83Å; E461-K464 VanDerWaalsContact O-N 3.13Å; E461-K464 WeakPolarHBondContact OE1-CE 3.39Å; E461-K464 IonicContact OE1-NZ 2.63Å; E461-K464 PolarHBondContact OE1-NZ 3.25Å; E461-K464 WeakPolarHBondContact OE2-CD 3.44Å; E461-K464 VanDerWaalsContact OE2-CE 3.31Å; E461-K464 WeakPolarHBondContact OE2-CE 3.42Å; E461-K464 IonicContact OE2-NZ 2.72Å; E461-K464 PolarHBondContact OE2-NZ 3.4Å; E461-P493 HydrophobicContact CG-CB 4.45Å; E461-I496 HydrophobicContact CB-CB 3.89Å; E461-I496 HydrophobicContact CB-CG1 4.35Å; E461-I496 HydrophobicContact CB-CG2 3.81Å
462	L	94.4	Very high	93.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-31.4	177.9	-167.5	70.1	0	0	0	113	K186 R458 L459 K464 V479 I480 L488 I496	K186-L462 VanDerWaalsContact CE-O 3.29Å; K186-L462 WeakPolarHBondContact CE-O 3.43Å; K186-L462 PolarHBondContact NZ-O 3.33Å; R458-L462 WeakPolarHBondContact O-CB 3.48Å; R458-L462 PolarHBondContact O-N 3.31Å; L459-L462 HydrophobicContact CD2-CD2 4.49Å; L459-L462 PolarHBondContact O-N 3.43Å; L462-K464 VanDerWaalsContact C-N 3.31Å; L462-V479 HydrophobicContact CD1-CG1 3.42Å; L462-V479 VanDerWaalsContact CD1-CG1 3.42Å; L462-V479 HydrophobicContact CD2-CG1 4.35Å; L462-V479 HydrophobicContact CG-CG1 3.85Å; L462-I480 HydrophobicContact CD2-CD1 4.23Å; L462-L488 HydrophobicContact CD1-CD1 3.98Å; L462-L488 HydrophobicContact CD2-CD1 4.47Å; L462-I496 HydrophobicContact CB-CG2 4.26Å; L462-I496 HydrophobicContact CD1-CG2 4.24Å
463	L	95	Very high	93.5	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.089	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.4	178.5	-74.6	-178.2	0	0	0	113.8	K186 A187 L191 M425 L429 L459 T460 E461 I480	K186-L463 HydrophobicContact CB-CD2 4.14Å; A187-L463 HydrophobicContact CB-CD2 4.24Å; L191-L463 HydrophobicContact CD1-CD1 3.76Å; M425-L463 HydrophobicContact CE-CD1 3.76Å; M425-L463 HydrophobicContact CE-CD2 3.52Å; M425-L463 HydrophobicContact CE-CG 3.56Å; L429-L463 HydrophobicContact CD1-CD1 3.56Å; L459-L463 WeakPolarHBondContact O-CG 3.39Å; L459-L463 PolarHBondContact O-N 3.12Å; L459-L463 VanDerWaalsContact O-N 3.09Å; T460-L463 PolarHBondContact O-N 2.9Å; E461-L463 VanDerWaalsContact C-N 3.25Å; E461-L463 PolarHBondContact O-N 3.47Å; L463-I480 HydrophobicContact CD2-CD1 4.06Å
464	K	95.6	Very high	93.7	Very high	41 Å²	41	37.3 Å²	37.3	18%	0.178	19%	0.19	C	C	.	.			trans	-65.6	137.6	175.2	-67.4	179.6	-176.8	170.5	0	110.1	K186 S395 R397 E461 L462 I497	K186-K464 PolarHBondContact NZ-O 3.4Å; S395-K464 WeakPolarHBondContact O-CE 3.17Å; R397-K464 CarbonylContact O-C 3.51Å; R397-K464 VanDerWaalsContact O-CA 3.31Å; R397-K464 WeakPolarHBondContact O-CA 3.38Å; E461-K464 WeakPolarHBondContact O-CB 3.34Å; E461-K464 PolarHBondContact O-N 2.83Å; E461-K464 VanDerWaalsContact O-N 3.13Å; E461-K464 WeakPolarHBondContact OE1-CE 3.39Å; E461-K464 IonicContact OE1-NZ 2.63Å; E461-K464 PolarHBondContact OE1-NZ 3.25Å; E461-K464 WeakPolarHBondContact OE2-CD 3.44Å; E461-K464 VanDerWaalsContact OE2-CE 3.31Å; E461-K464 WeakPolarHBondContact OE2-CE 3.42Å; E461-K464 IonicContact OE2-NZ 2.72Å; E461-K464 PolarHBondContact OE2-NZ 3.4Å; L462-K464 VanDerWaalsContact C-N 3.31Å; K464-I497 HydrophobicContact CD-CD1 4.06Å
465	Q	95.5	Very high	93.9	Very high	19 Å²	19	35.2 Å²	35.2	9%	0.089	18%	0.178	C	C	.	.			trans	-149.8	135.3	-178.6	-168.5	172.9	-21	0	0	109.8	G184 R397 A469	G184-Q465 PolarHBondContact O-NE2 2.92Å; R397-Q465 PolarHBondContact O-N 3.36Å; R397-Q465 VanDerWaalsContact O-O 3.13Å; Q465-A469 PolarHBondContact NE2-O 2.96Å
466	N	93.7	Very high	94.2	Very high	116 Å²	116	32.7 Å²	32.7	62%	0.62	17%	0.168	S	C	*	.			trans	-70.9	151.2	175.8	-70.6	-22.6	0	0	0	110.7	A469	N466-A469 HydrophobicContact CB-CB 4.47Å
467	Q	91.4	Very high	94.3	Very high	92 Å²	92	32.6 Å²	32.6	43%	0.43	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	148.9	172.4	-62.9	178.9	-1.2	0	0	110.6	A212 A469	A212-Q467 HydrophobicContact CB-CG 3.97Å; Q467-A469 PolarHBondContact O-N 3.2Å
468	Y	91.4	Very high	94.4	Very high	103 Å²	103	30.6 Å²	30.6	40%	0.404	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	20.1	177.7	-42.3	-58.4	0	0	0	114.6	V215 D216 I219 P470	V215-Y468 HydrophobicContact CB-CE1 4.35Å; V215-Y468 HydrophobicContact CG1-CD1 4.16Å; V215-Y468 HydrophobicContact CG1-CE1 3.77Å; D216-Y468 VanDerWaalsContact CG-N 3.3Å; D216-Y468 WeakPolarHBondContact OD1-CA 3.47Å; D216-Y468 VanDerWaalsContact OD1-CD1 3.25Å; D216-Y468 WeakPolarHBondContact OD1-CD1 3.03Å; D216-Y468 PolarHBondContact OD1-N 2.85Å; D216-Y468 PolarHBondContact OD2-N 2.92Å; D216-Y468 VanDerWaalsContact OD2-N 3.09Å; I219-Y468 HydrophobicContact CD1-CD1 3.95Å; Y468-P470 WeakPolarHBondContact O-CD 3.33Å
469	A	93.1	Very high	94.5	Very high	48 Å²	48	29.5 Å²	29.5	40%	0.397	15%	0.151	S	C	.	.			trans	-122.9	60.7	177.2	0	0	0	0	0	111.3	Q465 N466 Q467	Q465-A469 PolarHBondContact NE2-O 2.96Å; N466-A469 HydrophobicContact CB-CB 4.47Å; Q467-A469 PolarHBondContact O-N 3.2Å
470	P	95.2	Very high	94.5	Very high	26 Å²	26	29.4 Å²	29.4	17%	0.169	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-67.7	135.7	-179.3	28.6	-34.5	0	0	0	111.9	G184 I219 N220 R223 Y468	G184-P470 WeakPolarHBondContact O-CA 3.44Å; I219-P470 HydrophobicContact CB-CG 4.39Å; I219-P470 HydrophobicContact CG2-CG 3.87Å; N220-P470 HydrophobicContact CB-CB 3.77Å; N220-P470 HydrophobicContact CB-CG 4.3Å; R223-P470 PolarHBondContact NH2-O 2.81Å; Y468-P470 WeakPolarHBondContact O-CD 3.33Å
471	M	94.9	Very high	94.6	Very high	16 Å²	16	28.3 Å²	28.3	8%	0.079	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-99.8	144	-176.1	-67	176.6	62.3	0	0	112	G184 K186 Q475 Q476 V479 L504	G184-M471 WeakPolarHBondContact CA-O 3.32Å; G184-M471 PolarHBondContact O-N 3.25Å; K186-M471 HydrophobicContact CD-CE 4.12Å; K186-M471 HydrophobicContact CD-SD 3.66Å; K186-M471 HydrophobicContact CG-CE 4.44Å; K186-M471 HydrophobicContact CG-SD 3.87Å; M471-Q475 HydrophobicContact CE-CB 4.26Å; M471-Q476 HydrophobicContact CB-CG 3.68Å; M471-Q476 HydrophobicContact CE-CG 4.43Å; M471-Q476 PolarHBondContact O-NE2 3.42Å; M471-V479 HydrophobicContact CE-CG2 4.09Å; M471-L504 HydrophobicContact CE-CD1 3.55Å; M471-L504 HydrophobicContact CE-CD2 4.29Å
472	A	95.2	Very high	94.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-64.4	149.6	173.3	0	0	0	0	0	111.4	E474 Q475 Q476	A472-E474 VanDerWaalsContact C-N 3.29Å; A472-E474 VanDerWaalsContact CB-CD 3.45Å; A472-E474 HydrophobicContact CB-CG 4.27Å; A472-E474 WeakPolarHBondContact CB-OE1 3.26Å; A472-E474 PolarHBondContact O-N 2.91Å; A472-Q475 HydrophobicContact CB-CB 4.27Å; A472-Q475 HydrophobicContact CB-CG 3.92Å; A472-Q475 WeakPolarHBondContact O-CB 3.5Å; A472-Q475 PolarHBondContact O-N 2.68Å; A472-Q476 WeakPolarHBondContact O-CG 3.37Å; A472-Q476 PolarHBondContact O-N 3.26Å
473	I	94.7	Very high	94.4	Very high	24 Å²	24	26.7 Å²	26.7	12%	0.123	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-42	-178.8	-175.3	54.8	0	0	0	111.8	T415 M418 Q475 Q476 V477	T415-I473 HydrophobicContact CG2-CG1 4.36Å; M418-I473 HydrophobicContact CB-CD1 4.22Å; M418-I473 HydrophobicContact CE-CD1 3.48Å; M418-I473 VanDerWaalsContact CE-CD1 3.48Å; M418-I473 HydrophobicContact CG-CD1 4.47Å; I473-Q475 VanDerWaalsContact C-N 3.3Å; I473-Q475 PolarHBondContact O-N 3.24Å; I473-Q476 PolarHBondContact O-N 3.3Å; I473-V477 HydrophobicContact CD1-CG2 4.39Å; I473-V477 VanDerWaalsContact O-CG2 3.3Å; I473-V477 WeakPolarHBondContact O-CG2 3.41Å; I473-V477 PolarHBondContact O-N 3.38Å
474	E	94.4	Very high	94.3	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-33.7	176.9	63.2	-82.4	-165.6	0	0	112.9	A472 V478 L515 I518 R519	A472-E474 VanDerWaalsContact C-N 3.29Å; A472-E474 VanDerWaalsContact CB-CD 3.45Å; A472-E474 HydrophobicContact CB-CG 4.27Å; A472-E474 WeakPolarHBondContact CB-OE1 3.26Å; A472-E474 PolarHBondContact O-N 2.91Å; E474-V478 WeakPolarHBondContact O-CG2 3.47Å; E474-V478 PolarHBondContact O-N 3.42Å; E474-L515 HydrophobicContact CB-CD2 4.22Å; E474-L515 HydrophobicContact CG-CB 4.03Å; E474-L515 HydrophobicContact CG-CD2 4.04Å; E474-I518 HydrophobicContact CB-CB 4.05Å; E474-I518 HydrophobicContact CB-CG2 3.8Å; E474-R519 IonicContact OE1-CZ 2.8Å; E474-R519 VanDerWaalsContact OE1-CZ 3.23Å; E474-R519 IonicContact OE1-NE 3.59Å; E474-R519 PolarHBondContact OE1-NE 3.49Å; E474-R519 IonicContact OE1-NH2 2.71Å; E474-R519 PolarHBondContact OE1-NH2 3.4Å; E474-R519 IonicContact OE2-NE 2.66Å
475	Q	95.7	Very high	94	Very high	40 Å²	40	31 Å²	31	19%	0.187	15%	0.153	C	C	.	.	H	α-helix	trans	-70.7	-43.3	174.7	-66.4	168.5	-10.7	0	0	110.6	M471 A472 I473 V478 V479 L504 L508	M471-Q475 HydrophobicContact CE-CB 4.26Å; A472-Q475 HydrophobicContact CB-CB 4.27Å; A472-Q475 HydrophobicContact CB-CG 3.92Å; A472-Q475 WeakPolarHBondContact O-CB 3.5Å; A472-Q475 PolarHBondContact O-N 2.68Å; I473-Q475 VanDerWaalsContact C-N 3.3Å; I473-Q475 PolarHBondContact O-N 3.24Å; Q475-V478 PolarHBondContact O-N 2.84Å; Q475-V479 WeakPolarHBondContact O-CG2 3.26Å; Q475-V479 PolarHBondContact O-N 3.11Å; Q475-V479 VanDerWaalsContact O-N 3.09Å; Q475-L504 HydrophobicContact CB-CD2 3.93Å; Q475-L504 HydrophobicContact CG-CD2 4.36Å; Q475-L508 HydrophobicContact CG-CD2 4.43Å
476	Q	96.1	Very high	93.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-45.1	175.9	-63.5	-178.3	36	0	0	111.1	G184 K186 D189 M418 M471 A472 I473 V478 V479 I480	G184-Q476 VanDerWaalsContact C-NE2 3.35Å; G184-Q476 VanDerWaalsContact CA-NE2 3.35Å; K186-Q476 HydrophobicContact CG-CB 4.44Å; K186-Q476 HydrophobicContact CG-CG 3.95Å; D189-Q476 PolarHBondContact OD2-NE2 2.84Å; D189-Q476 PolarHBondContact OD2-OE1 3.33Å; M418-Q476 HydrophobicContact CE-CB 3.82Å; M471-Q476 HydrophobicContact CB-CG 3.68Å; M471-Q476 HydrophobicContact CE-CG 4.43Å; M471-Q476 PolarHBondContact O-NE2 3.42Å; A472-Q476 WeakPolarHBondContact O-CG 3.37Å; A472-Q476 PolarHBondContact O-N 3.26Å; I473-Q476 PolarHBondContact O-N 3.3Å; Q476-V478 VanDerWaalsContact C-N 3.31Å; Q476-V478 PolarHBondContact O-N 3.34Å; Q476-V479 PolarHBondContact O-N 2.95Å; Q476-I480 WeakPolarHBondContact O-CB 3.32Å; Q476-I480 WeakPolarHBondContact O-CG1 3.47Å; Q476-I480 PolarHBondContact O-N 2.74Å
477	V	95.4	Very high	93.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.5	-45.8	178.2	169.3	0	0	0	0	111.1	A417 M418 V421 I473 Y481 I518 L524	A417-V477 HydrophobicContact CB-CG1 4.28Å; A417-V477 HydrophobicContact CB-CG2 4.15Å; M418-V477 HydrophobicContact CB-CG2 4.31Å; M418-V477 HydrophobicContact CE-CG2 3.9Å; V421-V477 HydrophobicContact CG1-CG1 4.26Å; V421-V477 HydrophobicContact CG2-CG1 4.38Å; I473-V477 HydrophobicContact CD1-CG2 4.39Å; I473-V477 VanDerWaalsContact O-CG2 3.3Å; I473-V477 WeakPolarHBondContact O-CG2 3.41Å; I473-V477 PolarHBondContact O-N 3.38Å; V477-Y481 WeakPolarHBondContact O-CB 3.5Å; V477-Y481 PolarHBondContact O-N 3.26Å; V477-I518 HydrophobicContact CB-CG2 4.46Å; V477-I518 HydrophobicContact CG1-CG2 4.38Å; V477-L524 HydrophobicContact CG1-CD1 3.99Å; V477-L524 HydrophobicContact CG1-CD2 4.15Å; V477-L524 HydrophobicContact CG1-CG 4.35Å
478	V	95	Very high	93.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-41.9	179.9	167	0	0	0	0	112.1	E474 Q475 Q476 A482 F503 V507 L515 I518 L532	E474-V478 WeakPolarHBondContact O-CG2 3.47Å; E474-V478 PolarHBondContact O-N 3.42Å; Q475-V478 PolarHBondContact O-N 2.84Å; Q476-V478 VanDerWaalsContact C-N 3.31Å; Q476-V478 PolarHBondContact O-N 3.34Å; V478-A482 PolarHBondContact O-N 3.5Å; V478-F503 HydrophobicContact CG1-CD1 4.33Å; V478-F503 HydrophobicContact CG1-CE1 3.35Å; V478-F503 HydrophobicContact CG1-CZ 3.7Å; V478-V507 HydrophobicContact CG1-CG1 4.43Å; V478-V507 HydrophobicContact CG1-CG2 4.22Å; V478-L515 HydrophobicContact CG2-CD2 3.99Å; V478-I518 HydrophobicContact CG2-CD1 3.81Å; V478-L532 HydrophobicContact CB-CD1 4.35Å; V478-L532 HydrophobicContact CG1-CD1 3.92Å; V478-L532 HydrophobicContact CG2-CD1 3.95Å; V478-L532 HydrophobicContact CG2-CD2 4.41Å
479	V	95.2	Very high	93.6	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-67.4	-48.5	178.1	170.5	0	0	0	0	111.3	K186 L462 M471 Q475 Q476 Y481 A482 G483 E500 L504	K186-V479 HydrophobicContact CD-CG1 4.23Å; L462-V479 HydrophobicContact CD1-CG1 3.42Å; L462-V479 VanDerWaalsContact CD1-CG1 3.42Å; L462-V479 HydrophobicContact CD2-CG1 4.35Å; L462-V479 HydrophobicContact CG-CG1 3.85Å; M471-V479 HydrophobicContact CE-CG2 4.09Å; Q475-V479 WeakPolarHBondContact O-CG2 3.26Å; Q475-V479 PolarHBondContact O-N 3.11Å; Q475-V479 VanDerWaalsContact O-N 3.09Å; Q476-V479 PolarHBondContact O-N 2.95Å; V479-Y481 VanDerWaalsContact C-N 3.3Å; V479-Y481 PolarHBondContact O-N 3.22Å; V479-A482 PolarHBondContact O-N 2.84Å; V479-G483 PolarHBondContact O-N 2.95Å; V479-E500 HydrophobicContact CG1-CG 3.81Å; V479-E500 HydrophobicContact CG2-CG 3.98Å; V479-L504 HydrophobicContact CG2-CD1 3.95Å; V479-L504 HydrophobicContact CG2-CD2 3.51Å; V479-L504 HydrophobicContact CG2-CG 3.67Å
480	I	94.9	Very high	93.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-36.7	179.2	-63.3	-61.4	0	0	0	111	V421 M425 L462 L463 Q476 A482 G483 V484	V421-I480 HydrophobicContact CB-CG2 4.26Å; V421-I480 HydrophobicContact CG2-CB 4.29Å; V421-I480 HydrophobicContact CG2-CG2 3.9Å; M425-I480 HydrophobicContact CE-CD1 3.95Å; M425-I480 HydrophobicContact SD-CD1 4.08Å; M425-I480 HydrophobicContact SD-CG2 3.92Å; L462-I480 HydrophobicContact CD2-CD1 4.23Å; L463-I480 HydrophobicContact CD2-CD1 4.06Å; Q476-I480 WeakPolarHBondContact O-CB 3.32Å; Q476-I480 WeakPolarHBondContact O-CG1 3.47Å; Q476-I480 PolarHBondContact O-N 2.74Å; I480-A482 VanDerWaalsContact C-N 3.33Å; I480-A482 PolarHBondContact O-N 2.96Å; I480-G483 PolarHBondContact O-N 3.22Å; I480-V484 HydrophobicContact CG2-CG2 3.85Å; I480-V484 WeakPolarHBondContact O-CG2 3.32Å; I480-V484 PolarHBondContact O-N 2.86Å
481	Y	94.7	Very high	93.2	Very high	4 Å²	4	27 Å²	27	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-55.7	-46.6	174.5	-177.5	-86.7	0	0	0	112	V421 V477 V479 G483 R485 H487 L524 D529 L532 V536	V421-Y481 HydrophobicContact CG1-CD2 3.9Å; V477-Y481 WeakPolarHBondContact O-CB 3.5Å; V477-Y481 PolarHBondContact O-N 3.26Å; V479-Y481 VanDerWaalsContact C-N 3.3Å; V479-Y481 PolarHBondContact O-N 3.22Å; Y481-G483 VanDerWaalsContact C-N 3.31Å; Y481-G483 PolarHBondContact O-N 3.07Å; Y481-R485 HydrophobicContact CD1-CG 4.14Å; Y481-R485 HydrophobicContact CD2-CG 4Å; Y481-R485 HydrophobicContact CE1-CB 4.49Å; Y481-R485 HydrophobicContact CE1-CG 3.92Å; Y481-R485 HydrophobicContact CE2-CG 3.8Å; Y481-R485 HydrophobicContact CG-CG 4.17Å; Y481-R485 VanDerWaalsContact O-CB 3.31Å; Y481-R485 WeakPolarHBondContact O-CB 3.3Å; Y481-R485 VanDerWaalsContact O-CG 3.31Å; Y481-R485 WeakPolarHBondContact O-CG 3.47Å; Y481-R485 PolarHBondContact O-N 3.06Å; Y481-R485 VanDerWaalsContact O-N 3.1Å; Y481-H487 AromaticContact CE1-NE2 3.84Å; Y481-L524 HydrophobicContact CD2-CD1 4.26Å; Y481-D529 VanDerWaalsContact CE2-OD1 3.28Å; Y481-D529 WeakPolarHBondContact CE2-OD1 3.32Å; Y481-D529 PolarHBondContact OH-O 3.34Å; Y481-D529 PolarHBondContact OH-OD2 2.94Å; Y481-D529 VanDerWaalsContact OH-OD2 3.1Å; Y481-L532 HydrophobicContact CD1-CD2 3.69Å; Y481-L532 HydrophobicContact CD1-CG 3.71Å; Y481-L532 HydrophobicContact CD2-CD2 3.71Å; Y481-L532 HydrophobicContact CD2-CG 4.5Å; Y481-L532 HydrophobicContact CE1-CD2 4.13Å; Y481-L532 HydrophobicContact CE1-CG 3.88Å; Y481-L532 HydrophobicContact CE2-CD2 4.13Å; Y481-L532 HydrophobicContact CG-CD2 3.47Å; Y481-L532 VanDerWaalsContact CG-CD2 3.47Å; Y481-L532 HydrophobicContact CG-CG 4.06Å; Y481-V536 HydrophobicContact CD1-CG2 4.31Å
482	A	93.8	Very high	93	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-41.8	-179.9	0	0	0	0	0	112.1	V478 V479 I480 H487 L488 F499 V536	V478-A482 PolarHBondContact O-N 3.5Å; V479-A482 PolarHBondContact O-N 2.84Å; I480-A482 VanDerWaalsContact C-N 3.33Å; I480-A482 PolarHBondContact O-N 2.96Å; A482-H487 WeakPolarHBondContact O-CB 3.17Å; A482-H487 PolarHBondContact O-N 3.44Å; A482-H487 VanDerWaalsContact O-N 3.15Å; A482-L488 HydrophobicContact CB-CD1 4.45Å; A482-L488 HydrophobicContact CB-CD2 4.34Å; A482-L488 HydrophobicContact CB-CG 4.34Å; A482-F499 HydrophobicContact CB-CE1 4.49Å; A482-V536 HydrophobicContact CB-CG1 4.16Å; A482-V536 HydrophobicContact CB-CG2 4.46Å
483	G	92.3	Very high	92.8	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-70.2	-53.7	177.7	0	0	0	0	0	113.5	V479 I480 Y481 R485 G486	V479-G483 PolarHBondContact O-N 2.95Å; I480-G483 PolarHBondContact O-N 3.22Å; Y481-G483 VanDerWaalsContact C-N 3.31Å; Y481-G483 PolarHBondContact O-N 3.07Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-R485 PolarHBondContact O-N 3.14Å; G483-G486 PolarHBondContact O-N 3.21Å; G483-G486 VanDerWaalsContact O-N 3.11Å
484	V	91.5	Very high	92.7	Very high	20 Å²	20	35 Å²	35	12%	0.121	18%	0.181	C	C	.	.	H	α-helix	trans	-70.5	-29.1	-171	177.8	0	0	0	0	112.5	V421 M425 L459 I480 G486	V421-V484 WeakPolarHBondContact O-CG1 3.26Å; M425-V484 HydrophobicContact CB-CG2 4.06Å; M425-V484 HydrophobicContact CG-CG2 4.07Å; M425-V484 HydrophobicContact SD-CG2 4.16Å; L459-V484 HydrophobicContact CD2-CG2 4.18Å; I480-V484 HydrophobicContact CG2-CG2 3.85Å; I480-V484 WeakPolarHBondContact O-CG2 3.32Å; I480-V484 PolarHBondContact O-N 2.86Å; V484-G486 PolarHBondContact O-N 2.84Å
485	R	90.8	Very high	92.6	Very high	129 Å²	129	39.2 Å²	39.2	49%	0.487	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2	175.2	-63.7	-64.8	-162.8	176	6.9	113.7	Y481 G483 H487 D529	Y481-R485 HydrophobicContact CD1-CG 4.14Å; Y481-R485 HydrophobicContact CD2-CG 4Å; Y481-R485 HydrophobicContact CE1-CB 4.49Å; Y481-R485 HydrophobicContact CE1-CG 3.92Å; Y481-R485 HydrophobicContact CE2-CG 3.8Å; Y481-R485 HydrophobicContact CG-CG 4.17Å; Y481-R485 VanDerWaalsContact O-CB 3.31Å; Y481-R485 WeakPolarHBondContact O-CB 3.3Å; Y481-R485 VanDerWaalsContact O-CG 3.31Å; Y481-R485 WeakPolarHBondContact O-CG 3.47Å; Y481-R485 PolarHBondContact O-N 3.06Å; Y481-R485 VanDerWaalsContact O-N 3.1Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-R485 PolarHBondContact O-N 3.14Å; R485-H487 VanDerWaalsContact C-N 3.32Å; R485-H487 WeakPolarHBondContact CB-NE2 3.22Å; R485-H487 PolarHBondContact O-N 2.94Å; R485-D529 IonicContact NH2-OD1 3.05Å; R485-D529 PolarHBondContact NH2-OD1 2.84Å; R485-D529 IonicContact NH2-OD2 3.95Å
486	G	89.7	Confident	92.5	Very high	20 Å²	20	37.3 Å²	37.3	21%	0.206	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	12.9	176.7	0	0	0	0	0	114.4	G483 V484 L488 D489	G483-G486 PolarHBondContact O-N 3.21Å; G483-G486 VanDerWaalsContact O-N 3.11Å; V484-G486 PolarHBondContact O-N 2.84Å; G486-L488 PolarHBondContact O-N 3.4Å; G486-D489 VanDerWaalsContact CA-OD2 3.31Å; G486-D489 WeakPolarHBondContact CA-OD2 3.38Å; G486-D489 WeakPolarHBondContact O-CB 3.38Å; G486-D489 VanDerWaalsContact O-CG 3.29Å; G486-D489 PolarHBondContact O-N 3.47Å
487	H	91.4	Very high	92.3	Very high	41 Å²	41	40.3 Å²	40.3	19%	0.19	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.5	179	-61.3	-57.7	0	0	0	112.2	Y481 A482 R485 V536 L540	Y481-H487 AromaticContact CE1-NE2 3.84Å; A482-H487 WeakPolarHBondContact O-CB 3.17Å; A482-H487 PolarHBondContact O-N 3.44Å; A482-H487 VanDerWaalsContact O-N 3.15Å; R485-H487 VanDerWaalsContact C-N 3.32Å; R485-H487 WeakPolarHBondContact CB-NE2 3.22Å; R485-H487 PolarHBondContact O-N 2.94Å; H487-V536 HydrophobicContact CB-CG1 3.62Å; H487-L540 HydrophobicContact CB-CD1 3.73Å; H487-L540 VanDerWaalsContact O-CD1 3.28Å; H487-L540 WeakPolarHBondContact O-CD1 3.41Å
488	L	92.2	Very high	92.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.7	179	-54.3	-175.8	0	0	0	114	R458 L462 A482 G486 K490 L491 I496 F499 L540	R458-L488 WeakPolarHBondContact CD-O 3.49Å; R458-L488 PolarHBondContact NE-O 2.88Å; L462-L488 HydrophobicContact CD1-CD1 3.98Å; L462-L488 HydrophobicContact CD2-CD1 4.47Å; A482-L488 HydrophobicContact CB-CD1 4.45Å; A482-L488 HydrophobicContact CB-CD2 4.34Å; A482-L488 HydrophobicContact CB-CG 4.34Å; G486-L488 PolarHBondContact O-N 3.4Å; L488-K490 PolarHBondContact O-N 3.4Å; L488-K490 VanDerWaalsContact O-N 3.12Å; L488-L491 WeakPolarHBondContact O-CB 3.46Å; L488-L491 PolarHBondContact O-N 2.82Å; L488-I496 HydrophobicContact CB-CD1 3.84Å; L488-I496 HydrophobicContact CD1-CD1 3.97Å; L488-I496 HydrophobicContact CG-CD1 4.37Å; L488-F499 HydrophobicContact CD1-CD1 4.47Å; L488-F499 HydrophobicContact CD1-CE1 4.36Å; L488-F499 HydrophobicContact CD2-CD1 3.7Å; L488-F499 HydrophobicContact CD2-CE1 3.33Å; L488-F499 HydrophobicContact CD2-CE2 4.25Å; L488-F499 HydrophobicContact CD2-CG 4.35Å; L488-F499 HydrophobicContact CD2-CZ 3.63Å; L488-F499 HydrophobicContact CG-CE1 4.46Å; L488-L540 HydrophobicContact CD2-CD2 4.39Å
489	D	89.7	Confident	92.1	Very high	60 Å²	60	45.3 Å²	45.3	32%	0.321	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.9	-170.9	-68.6	-8.1	0	0	0	113.4	R458 G486	R458-D489 PolarHBondContact NE-O 2.96Å; R458-D489 VanDerWaalsContact NE-O 3.14Å; R458-D489 PolarHBondContact NH2-O 3.25Å; G486-D489 VanDerWaalsContact CA-OD2 3.31Å; G486-D489 WeakPolarHBondContact CA-OD2 3.38Å; G486-D489 WeakPolarHBondContact O-CB 3.38Å; G486-D489 VanDerWaalsContact O-CG 3.29Å; G486-D489 PolarHBondContact O-N 3.47Å
490	K	88.5	Confident	92.1	Very high	184 Å²	184	46 Å²	46	80%	0.8	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-11.5	176.5	-64	-173.1	179.7	-177.6	0	114	L488	L488-K490 PolarHBondContact O-N 3.4Å; L488-K490 VanDerWaalsContact O-N 3.12Å
491	L	90.7	Very high	92	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.063	26%	0.255	C	S	.	.	S	Bend	trans	-82.1	143.2	-179	-163.8	68.6	0	0	0	110.1	R458 L488 K495 I496 F499 Y543	R458-L491 PolarHBondContact NE-O 3.43Å; R458-L491 PolarHBondContact NH2-O 3.17Å; L488-L491 WeakPolarHBondContact O-CB 3.46Å; L488-L491 PolarHBondContact O-N 2.82Å; L491-K495 HydrophobicContact CD1-CB 4.23Å; L491-K495 HydrophobicContact CD1-CD 4.42Å; L491-K495 HydrophobicContact CD2-CB 4.09Å; L491-K495 HydrophobicContact CG-CB 4.01Å; L491-I496 HydrophobicContact CB-CD1 4.26Å; L491-I496 HydrophobicContact CD2-CD1 3.93Å; L491-I496 HydrophobicContact CG-CD1 4.48Å; L491-F499 HydrophobicContact CD2-CB 3.64Å; L491-F499 HydrophobicContact CD2-CD2 4.29Å; L491-F499 HydrophobicContact CD2-CG 3.95Å; L491-Y543 HydrophobicContact CD1-CD1 4.16Å; L491-Y543 HydrophobicContact CD1-CE1 4.14Å; L491-Y543 HydrophobicContact CD2-CE1 4.5Å
492	D	91.3	Very high	92	Very high	84 Å²	84	53 Å²	53	45%	0.449	26%	0.264	S	S	.	.			trans	-64	135.5	172.3	-173	-85	0	0	0	110.7	S494 K495	D492-S494 PolarHBondContact O-N 2.88Å; D492-S494 VanDerWaalsContact O-N 3.15Å; D492-S494 VanDerWaalsContact OD1-CB 3.26Å; D492-S494 WeakPolarHBondContact OD1-CB 3.42Å; D492-S494 PolarHBondContact OD1-N 3.1Å; D492-S494 PolarHBondContact OD1-OG 3.48Å; D492-K495 HydrophobicContact CB-CG 4.35Å; D492-K495 PolarHBondContact O-N 2.9Å
493	P	90.9	Very high	92	Very high	34 Å²	34	53 Å²	53	22%	0.221	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-51.1	-36.7	179.2	-30.8	37.5	0	0	0	114.8	V457 E461 K495 I496	V457-P493 HydrophobicContact CG1-CB 3.73Å; V457-P493 HydrophobicContact CG1-CG 3.76Å; E461-P493 HydrophobicContact CG-CB 4.45Å; P493-K495 PolarHBondContact O-N 2.84Å; P493-I496 WeakPolarHBondContact O-CB 3.37Å; P493-I496 WeakPolarHBondContact O-CG1 3.46Å; P493-I496 PolarHBondContact O-N 3.09Å
494	S	91.9	Very high	92.1	Very high	93 Å²	93	54 Å²	54	65%	0.65	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-66.2	-24.9	-180	67.5	0	0	0	0	113.1	D492	D492-S494 PolarHBondContact O-N 2.88Å; D492-S494 VanDerWaalsContact O-N 3.15Å; D492-S494 VanDerWaalsContact OD1-CB 3.26Å; D492-S494 WeakPolarHBondContact OD1-CB 3.42Å; D492-S494 PolarHBondContact OD1-N 3.1Å; D492-S494 PolarHBondContact OD1-OG 3.48Å
495	K	92.9	Very high	92.2	Very high	97 Å²	97	59.8 Å²	59.8	42%	0.422	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-86.7	-11.1	-179.9	-64.1	-170.5	176.8	-167.2	0	113.3	L491 D492 P493 I497 H498 F499	L491-K495 HydrophobicContact CD1-CB 4.23Å; L491-K495 HydrophobicContact CD1-CD 4.42Å; L491-K495 HydrophobicContact CD2-CB 4.09Å; L491-K495 HydrophobicContact CG-CB 4.01Å; D492-K495 HydrophobicContact CB-CG 4.35Å; D492-K495 PolarHBondContact O-N 2.9Å; P493-K495 PolarHBondContact O-N 2.84Å; K495-I497 PolarHBondContact O-N 3.42Å; K495-H498 PolarHBondContact O-N 3.42Å; K495-F499 WeakPolarHBondContact O-CB 3.28Å; K495-F499 PolarHBondContact O-N 2.79Å
496	I	93.4	Very high	92.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-45	-173.8	-64	-77	0	0	0	112.3	R458 E461 L462 L488 L491 P493 H498 F499 E500	R458-I496 HydrophobicContact CB-CD1 4.15Å; R458-I496 HydrophobicContact CG-CD1 4.02Å; R458-I496 HydrophobicContact CG-CG1 4.35Å; E461-I496 HydrophobicContact CB-CB 3.89Å; E461-I496 HydrophobicContact CB-CG1 4.35Å; E461-I496 HydrophobicContact CB-CG2 3.81Å; L462-I496 HydrophobicContact CB-CG2 4.26Å; L462-I496 HydrophobicContact CD1-CG2 4.24Å; L488-I496 HydrophobicContact CB-CD1 3.84Å; L488-I496 HydrophobicContact CD1-CD1 3.97Å; L488-I496 HydrophobicContact CG-CD1 4.37Å; L491-I496 HydrophobicContact CB-CD1 4.26Å; L491-I496 HydrophobicContact CD2-CD1 3.93Å; L491-I496 HydrophobicContact CG-CD1 4.48Å; P493-I496 WeakPolarHBondContact O-CB 3.37Å; P493-I496 WeakPolarHBondContact O-CG1 3.46Å; P493-I496 PolarHBondContact O-N 3.09Å; I496-H498 VanDerWaalsContact C-N 3.3Å; I496-H498 PolarHBondContact O-N 3.2Å; I496-F499 PolarHBondContact O-N 2.98Å; I496-E500 PolarHBondContact O-N 3.01Å
497	I	91.7	Very high	92.6	Very high	63 Å²	63	55.8 Å²	55.8	32%	0.323	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-36.8	-179.6	-62.2	174.1	0	0	0	111.2	K464 K495 K501	K464-I497 HydrophobicContact CD-CD1 4.06Å; K495-I497 PolarHBondContact O-N 3.42Å; I497-K501 WeakPolarHBondContact O-CG 3.28Å; I497-K501 PolarHBondContact O-N 3.24Å
498	H	92.3	Very high	92.7	Very high	103 Å²	103	56.6 Å²	56.6	48%	0.477	28%	0.278	S	S	.	.	H	α-helix	trans	-71.9	-46.1	178.2	-174	24.7	0	0	0	111	K495 I496 E500 K501 D502 Y543	K495-H498 PolarHBondContact O-N 3.42Å; I496-H498 VanDerWaalsContact C-N 3.3Å; I496-H498 PolarHBondContact O-N 3.2Å; H498-E500 VanDerWaalsContact C-N 3.29Å; H498-E500 PolarHBondContact O-N 3.26Å; H498-K501 PolarHBondContact O-N 3.44Å; H498-K501 VanDerWaalsContact O-N 3.16Å; H498-D502 IonicContact CD2-OD2 3.94Å; H498-D502 IonicContact CE1-OD1 3.89Å; H498-D502 IonicContact CE1-OD2 3.94Å; H498-D502 PolarHBondContact CE1-OD2 2.75Å; H498-D502 IonicContact CG-OD2 3.86Å; H498-D502 IonicContact ND1-OD1 3.39Å; H498-D502 IonicContact ND1-OD2 3.94Å; H498-D502 PolarHBondContact ND1-OD2 2.99Å; H498-D502 IonicContact NE2-OD2 2.67Å; H498-D502 PolarHBondContact NE2-OD2 3.28Å; H498-D502 PolarHBondContact O-N 2.79Å; H498-Y543 PolarHBondContact CD2-OH 2.95Å
499	F	94.4	Very high	92.8	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.009	31%	0.308	C	S	.	.	H	α-helix	trans	-52.2	-48.5	172.9	167.4	-89.8	0	0	0	111.3	A482 L488 L491 K495 I496 K501 D502 F503 F539 L540 Y543	A482-F499 HydrophobicContact CB-CE1 4.49Å; L488-F499 HydrophobicContact CD1-CD1 4.47Å; L488-F499 HydrophobicContact CD1-CE1 4.36Å; L488-F499 HydrophobicContact CD2-CD1 3.7Å; L488-F499 HydrophobicContact CD2-CE1 3.33Å; L488-F499 HydrophobicContact CD2-CE2 4.25Å; L488-F499 HydrophobicContact CD2-CG 4.35Å; L488-F499 HydrophobicContact CD2-CZ 3.63Å; L488-F499 HydrophobicContact CG-CE1 4.46Å; L491-F499 HydrophobicContact CD2-CB 3.64Å; L491-F499 HydrophobicContact CD2-CD2 4.29Å; L491-F499 HydrophobicContact CD2-CG 3.95Å; K495-F499 WeakPolarHBondContact O-CB 3.28Å; K495-F499 PolarHBondContact O-N 2.79Å; I496-F499 PolarHBondContact O-N 2.98Å; F499-K501 VanDerWaalsContact C-N 3.32Å; F499-K501 PolarHBondContact O-N 2.77Å; F499-D502 PolarHBondContact O-N 2.99Å; F499-F503 HydrophobicContact CD1-CB 4.49Å; F499-F503 HydrophobicContact CE1-CB 4.02Å; F499-F503 HydrophobicContact CE1-CD1 4.19Å; F499-F503 HydrophobicContact CE1-CG 4.19Å; F499-F503 HydrophobicContact CE2-CB 4.32Å; F499-F503 HydrophobicContact CZ-CB 3.94Å; F499-F503 HydrophobicContact CZ-CD1 4.23Å; F499-F503 HydrophobicContact CZ-CD2 4.35Å; F499-F503 AromaticContact CZ-CG 3.92Å; F499-F503 HydrophobicContact CZ-CG 3.92Å; F499-F503 WeakPolarHBondContact O-CB 3.36Å; F499-F503 PolarHBondContact O-N 2.75Å; F499-F539 HydrophobicContact CD2-CD1 4.34Å; F499-F539 AromaticContact CD2-CE1 3.9Å; F499-F539 HydrophobicContact CD2-CE1 3.9Å; F499-F539 AromaticContact CE2-CD1 3.6Å; F499-F539 HydrophobicContact CE2-CD1 3.6Å; F499-F539 AromaticContact CE2-CE1 3.6Å; F499-F539 HydrophobicContact CE2-CE1 3.6Å; F499-F539 HydrophobicContact CZ-CD1 4.22Å; F499-F539 HydrophobicContact CZ-CE1 4.37Å; F499-L540 HydrophobicContact CD2-CD2 3.94Å; F499-L540 HydrophobicContact CE2-CD2 3.32Å; F499-L540 HydrophobicContact CE2-CG 3.88Å; F499-L540 HydrophobicContact CZ-CD2 3.99Å; F499-L540 HydrophobicContact CZ-CG 4.28Å; F499-Y543 HydrophobicContact CB-CE1 4.07Å; F499-Y543 HydrophobicContact CD2-CD1 4.08Å; F499-Y543 HydrophobicContact CD2-CE1 4.25Å; F499-Y543 HydrophobicContact CD2-CG 4.27Å; F499-Y543 PolarHBondContact N-OH 3.23Å
500	E	94.3	Very high	93.1	Very high	17 Å²	17	62 Å²	62	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-56.9	-46.8	-179.8	-178.7	-170.9	155.2	0	0	111.4	K186 V479 I496 H498 D502 L504	K186-E500 IonicContact NZ-OE1 3.76Å; K186-E500 PolarHBondContact NZ-OE1 3.29Å; K186-E500 IonicContact NZ-OE2 2.88Å; K186-E500 PolarHBondContact NZ-OE2 3.26Å; V479-E500 HydrophobicContact CG1-CG 3.81Å; V479-E500 HydrophobicContact CG2-CG 3.98Å; I496-E500 PolarHBondContact O-N 3.01Å; H498-E500 VanDerWaalsContact C-N 3.29Å; H498-E500 PolarHBondContact O-N 3.26Å; E500-D502 PolarHBondContact O-N 3.19Å; E500-L504 HydrophobicContact CG-CD1 3.98Å; E500-L504 HydrophobicContact CG-CG 4.46Å; E500-L504 VanDerWaalsContact O-CB 3.29Å; E500-L504 WeakPolarHBondContact O-CB 3.38Å; E500-L504 VanDerWaalsContact O-CG 3.29Å; E500-L504 WeakPolarHBondContact O-CG 3.5Å; E500-L504 PolarHBondContact O-N 2.9Å
501	K	93.4	Very high	93.3	Very high	110 Å²	110	55 Å²	55	48%	0.478	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-44.4	-179.7	-72.7	176.9	-178.4	176.5	0	111.8	I497 H498 F499 K505	I497-K501 WeakPolarHBondContact O-CG 3.28Å; I497-K501 PolarHBondContact O-N 3.24Å; H498-K501 PolarHBondContact O-N 3.44Å; H498-K501 VanDerWaalsContact O-N 3.16Å; F499-K501 VanDerWaalsContact C-N 3.32Å; F499-K501 PolarHBondContact O-N 2.77Å; K501-K505 VanDerWaalsContact O-CG 3.28Å; K501-K505 WeakPolarHBondContact O-CG 3.45Å; K501-K505 PolarHBondContact O-N 2.87Å
502	D	94.1	Very high	93.4	Very high	40 Å²	40	59 Å²	59	21%	0.214	31%	0.306	C	S	.	.	H	α-helix	trans	-74.3	-39.9	-177.3	-63.8	-20	0	0	0	111.6	H498 F499 E500 K505 F506 F539 Y543	H498-D502 IonicContact CD2-OD2 3.94Å; H498-D502 IonicContact CE1-OD1 3.89Å; H498-D502 IonicContact CE1-OD2 3.94Å; H498-D502 PolarHBondContact CE1-OD2 2.75Å; H498-D502 IonicContact CG-OD2 3.86Å; H498-D502 IonicContact ND1-OD1 3.39Å; H498-D502 IonicContact ND1-OD2 3.94Å; H498-D502 PolarHBondContact ND1-OD2 2.99Å; H498-D502 IonicContact NE2-OD2 2.67Å; H498-D502 PolarHBondContact NE2-OD2 3.28Å; H498-D502 PolarHBondContact O-N 2.79Å; F499-D502 PolarHBondContact O-N 2.99Å; E500-D502 PolarHBondContact O-N 3.19Å; D502-K505 PolarHBondContact O-N 2.95Å; D502-F506 WeakPolarHBondContact O-CB 3.3Å; D502-F506 PolarHBondContact O-N 3.34Å; D502-F539 HydrophobicContact CB-CZ 4.01Å; D502-Y543 HydrophobicContact CB-CE2 4.38Å
503	F	94.9	Very high	93.5	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-45	174.8	-178.2	-124.4	0	0	0	111.2	V478 F499 F506 V507 I535 V536 F539	V478-F503 HydrophobicContact CG1-CD1 4.33Å; V478-F503 HydrophobicContact CG1-CE1 3.35Å; V478-F503 HydrophobicContact CG1-CZ 3.7Å; F499-F503 HydrophobicContact CD1-CB 4.49Å; F499-F503 HydrophobicContact CE1-CB 4.02Å; F499-F503 HydrophobicContact CE1-CD1 4.19Å; F499-F503 HydrophobicContact CE1-CG 4.19Å; F499-F503 HydrophobicContact CE2-CB 4.32Å; F499-F503 HydrophobicContact CZ-CB 3.94Å; F499-F503 HydrophobicContact CZ-CD1 4.23Å; F499-F503 HydrophobicContact CZ-CD2 4.35Å; F499-F503 AromaticContact CZ-CG 3.92Å; F499-F503 HydrophobicContact CZ-CG 3.92Å; F499-F503 WeakPolarHBondContact O-CB 3.36Å; F499-F503 PolarHBondContact O-N 2.75Å; F503-F506 PolarHBondContact O-N 3.07Å; F503-V507 HydrophobicContact CD2-CG2 4.04Å; F503-V507 HydrophobicContact CE1-CG2 4.27Å; F503-V507 HydrophobicContact CE2-CG2 3.63Å; F503-V507 HydrophobicContact CZ-CG2 3.73Å; F503-V507 VanDerWaalsContact O-CG2 3.3Å; F503-V507 WeakPolarHBondContact O-CG2 3.45Å; F503-V507 PolarHBondContact O-N 2.89Å; F503-I535 HydrophobicContact CE2-CG2 4.2Å; F503-V536 HydrophobicContact CE1-CG2 4.22Å; F503-V536 HydrophobicContact CE2-CG2 4.17Å; F503-V536 HydrophobicContact CZ-CB 4.45Å; F503-V536 HydrophobicContact CZ-CG2 3.5Å; F503-F539 HydrophobicContact CB-CD1 4.09Å; F503-F539 HydrophobicContact CB-CE1 3.67Å; F503-F539 HydrophobicContact CB-CZ 4.17Å; F503-F539 HydrophobicContact CD2-CB 4.18Å; F503-F539 AromaticContact CD2-CD1 3.51Å; F503-F539 HydrophobicContact CD2-CD1 3.51Å; F503-F539 HydrophobicContact CD2-CD2 4.41Å; F503-F539 AromaticContact CD2-CE1 3.97Å; F503-F539 HydrophobicContact CD2-CE1 3.97Å; F503-F539 AromaticContact CD2-CG 3.77Å; F503-F539 HydrophobicContact CD2-CG 3.77Å; F503-F539 HydrophobicContact CE2-CB 4.31Å; F503-F539 HydrophobicContact CE2-CD1 4.38Å; F503-F539 HydrophobicContact CE2-CG 4.38Å; F503-F539 HydrophobicContact CG-CD1 4.19Å; F503-F539 HydrophobicContact CG-CE1 4.27Å
504	L	93.8	Very high	93.6	Very high	23 Å²	23	57.2 Å²	57.2	12%	0.12	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-44.2	174.7	-79.1	173.9	0	0	0	112.2	M471 Q475 V479 E500 F506 V507 L508	M471-L504 HydrophobicContact CE-CD1 3.55Å; M471-L504 HydrophobicContact CE-CD2 4.29Å; Q475-L504 HydrophobicContact CB-CD2 3.93Å; Q475-L504 HydrophobicContact CG-CD2 4.36Å; V479-L504 HydrophobicContact CG2-CD1 3.95Å; V479-L504 HydrophobicContact CG2-CD2 3.51Å; V479-L504 HydrophobicContact CG2-CG 3.67Å; E500-L504 HydrophobicContact CG-CD1 3.98Å; E500-L504 HydrophobicContact CG-CG 4.46Å; E500-L504 VanDerWaalsContact O-CB 3.29Å; E500-L504 WeakPolarHBondContact O-CB 3.38Å; E500-L504 VanDerWaalsContact O-CG 3.29Å; E500-L504 WeakPolarHBondContact O-CG 3.5Å; E500-L504 PolarHBondContact O-N 2.9Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 PolarHBondContact O-N 2.91Å; L504-V507 PolarHBondContact O-N 2.92Å; L504-L508 VanDerWaalsContact O-CB 3.29Å; L504-L508 WeakPolarHBondContact O-CB 3.48Å; L504-L508 WeakPolarHBondContact O-CD1 3.45Å; L504-L508 WeakPolarHBondContact O-CG 3.46Å; L504-L508 PolarHBondContact O-N 3.47Å
505	K	94.1	Very high	93.7	Very high	141 Å²	141	53 Å²	53	61%	0.613	27%	0.265	S	S	*	.	H	α-helix	trans	-59.1	-44	175.1	-75.8	171.9	-176	173.5	0	111.5	K501 D502 L508 A509	K501-K505 VanDerWaalsContact O-CG 3.28Å; K501-K505 WeakPolarHBondContact O-CG 3.45Å; K501-K505 PolarHBondContact O-N 2.87Å; D502-K505 PolarHBondContact O-N 2.95Å; K505-L508 PolarHBondContact O-N 3.32Å; K505-A509 WeakPolarHBondContact O-CB 3.12Å; K505-A509 PolarHBondContact O-N 2.92Å
506	F	94.9	Very high	93.7	Very high	63 Å²	63	53.8 Å²	53.8	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-48.8	178.3	172.2	-101	0	0	0	112.1	D502 F503 L504 L508 A509 N510 H511 I535 F539	D502-F506 WeakPolarHBondContact O-CB 3.3Å; D502-F506 PolarHBondContact O-N 3.34Å; F503-F506 PolarHBondContact O-N 3.07Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 PolarHBondContact O-N 2.91Å; F506-L508 VanDerWaalsContact C-N 3.32Å; F506-L508 PolarHBondContact O-N 2.76Å; F506-A509 PolarHBondContact O-N 2.83Å; F506-N510 WeakPolarHBondContact CD2-ND2 3.38Å; F506-N510 HydrophobicContact CE2-CB 4.34Å; F506-N510 WeakPolarHBondContact CE2-ND2 3.29Å; F506-N510 WeakPolarHBondContact O-CB 3.48Å; F506-N510 PolarHBondContact O-N 2.91Å; F506-N510 PolarHBondContact O-ND2 3.19Å; F506-H511 AromaticContact CE1-CD2 3.64Å; F506-H511 AromaticContact CE1-NE2 3.55Å; F506-H511 AromaticContact CZ-NE2 3.6Å; F506-I535 HydrophobicContact CE1-CG2 4.06Å; F506-F539 HydrophobicContact CB-CD2 3.92Å; F506-F539 HydrophobicContact CB-CE2 3.61Å; F506-F539 HydrophobicContact CB-CZ 4.45Å; F506-F539 HydrophobicContact CD1-CB 4.41Å; F506-F539 AromaticContact CD1-CD2 3.56Å; F506-F539 HydrophobicContact CD1-CD2 3.56Å; F506-F539 HydrophobicContact CD1-CE2 4.18Å; F506-F539 HydrophobicContact CD1-CG 4.21Å; F506-F539 HydrophobicContact CD2-CD2 4.06Å; F506-F539 HydrophobicContact CD2-CE2 4.27Å; F506-F539 HydrophobicContact CE1-CB 4.34Å; F506-F539 HydrophobicContact CE1-CD2 4.07Å; F506-F539 AromaticContact CG-CD2 3.56Å; F506-F539 HydrophobicContact CG-CD2 3.56Å; F506-F539 AromaticContact CG-CE2 3.77Å; F506-F539 HydrophobicContact CG-CE2 3.77Å
507	V	94.5	Very high	93.7	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-39	178.7	174.7	0	0	0	0	111	V478 F503 L504 H511 L515 I535	V478-V507 HydrophobicContact CG1-CG1 4.43Å; V478-V507 HydrophobicContact CG1-CG2 4.22Å; F503-V507 HydrophobicContact CD2-CG2 4.04Å; F503-V507 HydrophobicContact CE1-CG2 4.27Å; F503-V507 HydrophobicContact CE2-CG2 3.63Å; F503-V507 HydrophobicContact CZ-CG2 3.73Å; F503-V507 VanDerWaalsContact O-CG2 3.3Å; F503-V507 WeakPolarHBondContact O-CG2 3.45Å; F503-V507 PolarHBondContact O-N 2.89Å; L504-V507 PolarHBondContact O-N 2.92Å; V507-H511 HydrophobicContact CG1-CB 4.22Å; V507-H511 CarbonylContact O-C 3.59Å; V507-H511 VanDerWaalsContact O-C 3.3Å; V507-H511 WeakPolarHBondContact O-CA 3.39Å; V507-H511 PolarHBondContact O-N 2.89Å; V507-L515 HydrophobicContact CG1-CD1 4.06Å; V507-L515 HydrophobicContact CG1-CD2 3.88Å; V507-L515 HydrophobicContact CG1-CG 3.91Å; V507-I535 HydrophobicContact CG2-CG2 4.31Å
508	L	93.3	Very high	93.7	Very high	59 Å²	59	53.4 Å²	53.4	31%	0.309	27%	0.269	S	S	.	.	H	α-helix	trans	-69.4	-30.4	176.1	-70.8	168.1	0	0	0	113.1	Q475 L504 K505 F506 Q512 L515	Q475-L508 HydrophobicContact CG-CD2 4.43Å; L504-L508 VanDerWaalsContact O-CB 3.29Å; L504-L508 WeakPolarHBondContact O-CB 3.48Å; L504-L508 WeakPolarHBondContact O-CD1 3.45Å; L504-L508 WeakPolarHBondContact O-CG 3.46Å; L504-L508 PolarHBondContact O-N 3.47Å; K505-L508 PolarHBondContact O-N 3.32Å; F506-L508 VanDerWaalsContact C-N 3.32Å; F506-L508 PolarHBondContact O-N 2.76Å; L508-Q512 VanDerWaalsContact O-CG 3.25Å; L508-Q512 WeakPolarHBondContact O-CG 3.39Å; L508-Q512 PolarHBondContact O-NE2 2.81Å; L508-L515 HydrophobicContact CD2-CD1 3.45Å; L508-L515 VanDerWaalsContact CD2-CD1 3.45Å; L508-L515 HydrophobicContact CG-CD1 4.29Å
509	A	94.8	Very high	93.7	Very high	76 Å²	76	55.6 Å²	55.6	63%	0.628	27%	0.273	S	S	*	.	H	α-helix	trans	-79.6	-42.4	177.4	0	0	0	0	0	112	K505 F506	K505-A509 WeakPolarHBondContact O-CB 3.12Å; K505-A509 PolarHBondContact O-N 2.92Å; F506-A509 PolarHBondContact O-N 2.83Å
510	N	94.4	Very high	93.5	Very high	97 Å²	97	61.9 Å²	61.9	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-111.4	-17.7	-164.1	-59.6	-51	0	0	0	114.8	F506	F506-N510 WeakPolarHBondContact CD2-ND2 3.38Å; F506-N510 HydrophobicContact CE2-CB 4.34Å; F506-N510 WeakPolarHBondContact CE2-ND2 3.29Å; F506-N510 WeakPolarHBondContact O-CB 3.48Å; F506-N510 PolarHBondContact O-N 2.91Å; F506-N510 PolarHBondContact O-ND2 3.19Å
511	H	93.3	Very high	93.4	Very high	39 Å²	39	64.2 Å²	64.2	18%	0.181	32%	0.315	C	S	.	.			trans	-133.8	40.3	-170	-60.7	-59.7	0	0	0	113.1	F506 V507 D513 L514 L515 I535	F506-H511 AromaticContact CE1-CD2 3.64Å; F506-H511 AromaticContact CE1-NE2 3.55Å; F506-H511 AromaticContact CZ-NE2 3.6Å; V507-H511 HydrophobicContact CG1-CB 4.22Å; V507-H511 CarbonylContact O-C 3.59Å; V507-H511 VanDerWaalsContact O-C 3.3Å; V507-H511 WeakPolarHBondContact O-CA 3.39Å; V507-H511 PolarHBondContact O-N 2.89Å; H511-D513 VanDerWaalsContact C-OD1 3.31Å; H511-D513 WeakPolarHBondContact CA-OD1 3.21Å; H511-D513 PolarHBondContact O-N 2.84Å; H511-L514 HydrophobicContact CB-CB 4.29Å; H511-L514 WeakPolarHBondContact O-CB 3.13Å; H511-L514 PolarHBondContact O-N 2.91Å; H511-L515 PolarHBondContact O-N 3.23Å; H511-I535 HydrophobicContact CB-CD1 4.33Å
512	Q	92.7	Very high	93.1	Very high	95 Å²	95	59.9 Å²	59.9	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-30	175.4	-74.7	-69	-11.8	0	0	113	L508 L515 K516	L508-Q512 VanDerWaalsContact O-CG 3.25Å; L508-Q512 WeakPolarHBondContact O-CG 3.39Å; L508-Q512 PolarHBondContact O-NE2 2.81Å; Q512-L515 PolarHBondContact O-N 2.86Å; Q512-K516 WeakPolarHBondContact O-CB 3.31Å; Q512-K516 PolarHBondContact O-N 3.27Å
513	D	93.4	Very high	93	Very high	78 Å²	78	60.5 Å²	60.5	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-44.1	174.5	65.4	-43.1	0	0	0	111.5	H511 K516 T517 K531	H511-D513 VanDerWaalsContact C-OD1 3.31Å; H511-D513 WeakPolarHBondContact CA-OD1 3.21Å; H511-D513 PolarHBondContact O-N 2.84Å; D513-K516 PolarHBondContact O-N 2.77Å; D513-T517 PolarHBondContact O-N 3.43Å; D513-T517 PolarHBondContact O-OG1 3.04Å; D513-K531 IonicContact OD2-NZ 2.77Å; D513-K531 PolarHBondContact OD2-NZ 2.87Å
514	L	92.8	Very high	92.9	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-46.7	176.1	-175.6	75.8	0	0	0	111.5	H511 K516 T517 I518 T528 K531 L532 I535	H511-L514 HydrophobicContact CB-CB 4.29Å; H511-L514 WeakPolarHBondContact O-CB 3.13Å; H511-L514 PolarHBondContact O-N 2.91Å; L514-K516 VanDerWaalsContact C-N 3.3Å; L514-K516 PolarHBondContact O-N 2.99Å; L514-T517 PolarHBondContact O-N 3.43Å; L514-I518 HydrophobicContact CG-CD1 4.19Å; L514-I518 WeakPolarHBondContact O-CG1 3.42Å; L514-I518 PolarHBondContact O-N 2.83Å; L514-T528 HydrophobicContact CD1-CG2 3.68Å; L514-K531 HydrophobicContact CD1-CB 4.47Å; L514-K531 HydrophobicContact CD1-CD 4.06Å; L514-K531 HydrophobicContact CD1-CG 4.23Å; L514-L532 HydrophobicContact CD2-CB 4.39Å; L514-L532 HydrophobicContact CD2-CD1 3.94Å; L514-I535 HydrophobicContact CD2-CD1 3.78Å
515	L	93.7	Very high	92.9	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-40.2	178.6	-67.4	-177.8	0	0	0	111.6	E474 V478 V507 L508 H511 Q512 I518 R519	E474-L515 HydrophobicContact CB-CD2 4.22Å; E474-L515 HydrophobicContact CG-CB 4.03Å; E474-L515 HydrophobicContact CG-CD2 4.04Å; V478-L515 HydrophobicContact CG2-CD2 3.99Å; V507-L515 HydrophobicContact CG1-CD1 4.06Å; V507-L515 HydrophobicContact CG1-CD2 3.88Å; V507-L515 HydrophobicContact CG1-CG 3.91Å; L508-L515 HydrophobicContact CD2-CD1 3.45Å; L508-L515 VanDerWaalsContact CD2-CD1 3.45Å; L508-L515 HydrophobicContact CG-CD1 4.29Å; H511-L515 PolarHBondContact O-N 3.23Å; Q512-L515 PolarHBondContact O-N 2.86Å; L515-I518 PolarHBondContact O-N 2.81Å; L515-R519 WeakPolarHBondContact O-CB 3.12Å; L515-R519 PolarHBondContact O-N 2.97Å
516	K	93.3	Very high	92.8	Very high	115 Å²	115	62 Å²	62	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-47	174.4	-174.9	-179.1	174.6	-175.2	0	111.3	Q512 D513 L514 I518 R519 E520	Q512-K516 WeakPolarHBondContact O-CB 3.31Å; Q512-K516 PolarHBondContact O-N 3.27Å; D513-K516 PolarHBondContact O-N 2.77Å; L514-K516 VanDerWaalsContact C-N 3.3Å; L514-K516 PolarHBondContact O-N 2.99Å; K516-I518 PolarHBondContact O-N 3.25Å; K516-R519 WeakPolarHBondContact O-CB 3.3Å; K516-R519 PolarHBondContact O-N 3.32Å; K516-R519 VanDerWaalsContact O-N 3.17Å; K516-E520 VanDerWaalsContact CE-CD 3.49Å; K516-E520 WeakPolarHBondContact CE-OE1 3.47Å; K516-E520 HydrophobicContact CG-CG 4.38Å; K516-E520 IonicContact NZ-OE1 3.41Å; K516-E520 WeakPolarHBondContact O-CG 2.96Å; K516-E520 PolarHBondContact O-N 3.01Å
517	T	93.3	Very high	92.8	Very high	49 Å²	49	62.5 Å²	62.5	30%	0.301	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-46.4	176.6	-57.3	0	0	0	0	111.7	D513 L514 R519 E520 D521 T528	D513-T517 PolarHBondContact O-N 3.43Å; D513-T517 PolarHBondContact O-OG1 3.04Å; L514-T517 PolarHBondContact O-N 3.43Å; T517-R519 VanDerWaalsContact C-N 3.29Å; T517-R519 PolarHBondContact O-N 3.22Å; T517-E520 PolarHBondContact O-N 2.89Å; T517-D521 WeakPolarHBondContact CG2-OD2 3.43Å; T517-D521 VanDerWaalsContact O-CB 3.31Å; T517-D521 WeakPolarHBondContact O-CB 3.24Å; T517-D521 PolarHBondContact O-N 2.96Å; T517-T528 HydrophobicContact CG2-CG2 4.48Å
518	I	93.1	Very high	92.7	Very high	5 Å²	5	63 Å²	63	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-39.5	178.2	-65.5	170.6	0	0	0	111.1	A417 E474 V477 V478 L514 L515 K516 G522 L524 T528	A417-I518 HydrophobicContact CB-CG2 4.35Å; E474-I518 HydrophobicContact CB-CB 4.05Å; E474-I518 HydrophobicContact CB-CG2 3.8Å; V477-I518 HydrophobicContact CB-CG2 4.46Å; V477-I518 HydrophobicContact CG1-CG2 4.38Å; V478-I518 HydrophobicContact CG2-CD1 3.81Å; L514-I518 HydrophobicContact CG-CD1 4.19Å; L514-I518 WeakPolarHBondContact O-CG1 3.42Å; L514-I518 PolarHBondContact O-N 2.83Å; L515-I518 PolarHBondContact O-N 2.81Å; K516-I518 PolarHBondContact O-N 3.25Å; I518-G522 WeakPolarHBondContact O-CA 3.3Å; I518-G522 PolarHBondContact O-N 2.84Å; I518-L524 HydrophobicContact CD1-CD2 3.96Å; I518-L524 HydrophobicContact CG1-CD2 3.8Å; I518-T528 HydrophobicContact CG1-CG2 4.12Å
519	R	91.3	Very high	92.7	Very high	150 Å²	150	61.9 Å²	61.9	57%	0.566	33%	0.334	S	S	*	.	H	α-helix	trans	-68	-41.3	179.4	-170.7	-168.5	-65.7	162.9	1.8	112.6	E474 L515 K516 T517	E474-R519 IonicContact OE1-CZ 2.8Å; E474-R519 VanDerWaalsContact OE1-CZ 3.23Å; E474-R519 IonicContact OE1-NE 3.59Å; E474-R519 PolarHBondContact OE1-NE 3.49Å; E474-R519 IonicContact OE1-NH2 2.71Å; E474-R519 PolarHBondContact OE1-NH2 3.4Å; E474-R519 IonicContact OE2-NE 2.66Å; L515-R519 WeakPolarHBondContact O-CB 3.12Å; L515-R519 PolarHBondContact O-N 2.97Å; K516-R519 WeakPolarHBondContact O-CB 3.3Å; K516-R519 PolarHBondContact O-N 3.32Å; K516-R519 VanDerWaalsContact O-N 3.17Å; T517-R519 VanDerWaalsContact C-N 3.29Å; T517-R519 PolarHBondContact O-N 3.22Å
520	E	90.7	Very high	92.6	Very high	134 Å²	134	64 Å²	64	63%	0.626	33%	0.331	S	S	*	.	H	α-helix	trans	-81	-46.4	-175.7	-71.2	176.5	170.2	0	0	112.4	K516 T517	K516-E520 VanDerWaalsContact CE-CD 3.49Å; K516-E520 WeakPolarHBondContact CE-OE1 3.47Å; K516-E520 HydrophobicContact CG-CG 4.38Å; K516-E520 IonicContact NZ-OE1 3.41Å; K516-E520 WeakPolarHBondContact O-CG 2.96Å; K516-E520 PolarHBondContact O-N 3.01Å; T517-E520 PolarHBondContact O-N 2.89Å
521	D	90.8	Very high	92.6	Very high	65 Å²	65	63.3 Å²	63.3	35%	0.348	32%	0.323	S	S	.	.	H	α-helix	trans	-73.8	-33	179.5	-77.9	-22.5	0	0	0	112	T517 E523 K525	T517-D521 WeakPolarHBondContact CG2-OD2 3.43Å; T517-D521 VanDerWaalsContact O-CB 3.31Å; T517-D521 WeakPolarHBondContact O-CB 3.24Å; T517-D521 PolarHBondContact O-N 2.96Å; D521-E523 HydrophobicContact CB-CG 4.4Å; D521-E523 PolarHBondContact O-N 2.82Å; D521-E523 VanDerWaalsContact O-N 3.12Å; D521-K525 IonicContact OD1-NZ 3.18Å; D521-K525 PolarHBondContact OD1-NZ 3.36Å; D521-K525 WeakPolarHBondContact OD2-CE 3.28Å; D521-K525 IonicContact OD2-NZ 2.84Å; D521-K525 PolarHBondContact OD2-NZ 2.79Å
522	G	88.6	Confident	92.6	Very high	20 Å²	20	61.4 Å²	61.4	21%	0.206	31%	0.314	C	S	.	.			trans	68	3.3	-176	0	0	0	0	0	114.7	K416 A417 I518	K416-G522 WeakPolarHBondContact CB-O 3.49Å; K416-G522 PolarHBondContact N-O 3.1Å; A417-G522 WeakPolarHBondContact CB-O 3.43Å; A417-G522 PolarHBondContact N-O 3.01Å; I518-G522 WeakPolarHBondContact O-CA 3.3Å; I518-G522 PolarHBondContact O-N 2.84Å
523	E	92.4	Very high	92.7	Very high	52 Å²	52	62.2 Å²	62.2	24%	0.243	32%	0.316	C	S	.	.	S	Bend	trans	-137.5	148.1	179	66.8	-176	-162.3	0	0	111.6	K416 D521 K525	K416-E523 HydrophobicContact CB-CB 3.8Å; K416-E523 HydrophobicContact CD-CB 3.98Å; K416-E523 VanDerWaalsContact CD-OE2 3.29Å; K416-E523 WeakPolarHBondContact CD-OE2 3.49Å; K416-E523 IonicContact NZ-OE2 3.99Å; K416-E523 PolarHBondContact NZ-OE2 2.99Å; D521-E523 HydrophobicContact CB-CG 4.4Å; D521-E523 PolarHBondContact O-N 2.82Å; D521-E523 VanDerWaalsContact O-N 3.12Å; E523-K525 HydrophobicContact CG-CG 4.07Å; E523-K525 PolarHBondContact O-N 2.92Å; E523-K525 WeakPolarHBondContact OE1-CE 3.48Å
524	L	92.4	Very high	92.8	Very high	9 Å²	9	64.9 Å²	64.9	5%	0.047	32%	0.324	C	S	.	.			trans	-86.2	92.9	171.5	-59.8	176.8	0	0	0	108.6	A417 V421 V477 Y481 I518 T528	A417-L524 HydrophobicContact CB-CD2 4.49Å; A417-L524 HydrophobicContact CB-CG 4.09Å; V421-L524 HydrophobicContact CG1-CD1 3.55Å; V477-L524 HydrophobicContact CG1-CD1 3.99Å; V477-L524 HydrophobicContact CG1-CD2 4.15Å; V477-L524 HydrophobicContact CG1-CG 4.35Å; Y481-L524 HydrophobicContact CD2-CD1 4.26Å; I518-L524 HydrophobicContact CD1-CD2 3.96Å; I518-L524 HydrophobicContact CG1-CD2 3.8Å; L524-T528 HydrophobicContact CD2-CG2 4.16Å
525	K	93.2	Very high	92.8	Very high	81 Å²	81	65.3 Å²	65.3	35%	0.352	33%	0.326	S	S	.	.			trans	-63.5	155.5	170.2	-65.6	176.1	-175.7	154.1	0	109.9	D521 E523 A527 T528 D529	D521-K525 IonicContact OD1-NZ 3.18Å; D521-K525 PolarHBondContact OD1-NZ 3.36Å; D521-K525 WeakPolarHBondContact OD2-CE 3.28Å; D521-K525 IonicContact OD2-NZ 2.84Å; D521-K525 PolarHBondContact OD2-NZ 2.79Å; E523-K525 HydrophobicContact CG-CG 4.07Å; E523-K525 PolarHBondContact O-N 2.92Å; E523-K525 WeakPolarHBondContact OE1-CE 3.48Å; K525-A527 VanDerWaalsContact C-N 3.29Å; K525-A527 PolarHBondContact O-N 3.05Å; K525-T528 WeakPolarHBondContact O-CA 3.48Å; K525-T528 WeakPolarHBondContact O-CB 3.21Å; K525-T528 PolarHBondContact O-N 3.48Å; K525-D529 PolarHBondContact O-N 2.83Å
526	P	93	Very high	92.8	Very high	106 Å²	106	65.1 Å²	65.1	69%	0.688	33%	0.325	S	S	*	.	H	α-helix	trans	-51.4	-43.4	-176.9	-29.5	35.7	0	0	0	114.4	T528 D529 E530	P526-T528 VanDerWaalsContact C-N 3.34Å; P526-T528 PolarHBondContact O-N 2.77Å; P526-D529 PolarHBondContact O-N 2.83Å; P526-E530 WeakPolarHBondContact O-CG 3.36Å; P526-E530 PolarHBondContact O-N 2.85Å
527	A	93.2	Very high	92.8	Very high	74 Å²	74	62.9 Å²	62.9	61%	0.612	32%	0.321	S	S	*	.	H	α-helix	trans	-63.2	-38	177	0	0	0	0	0	113	K525 K531	K525-A527 VanDerWaalsContact C-N 3.29Å; K525-A527 PolarHBondContact O-N 3.05Å; A527-K531 WeakPolarHBondContact O-CB 3.41Å; A527-K531 PolarHBondContact O-N 2.75Å
528	T	92.5	Very high	92.8	Very high	14 Å²	14	65.9 Å²	65.9	9%	0.086	34%	0.335	C	S	.	.	H	α-helix	trans	-70.2	-39.7	177.1	-48.8	0	0	0	0	111.1	L514 T517 I518 L524 K525 P526 K531 L532	L514-T528 HydrophobicContact CD1-CG2 3.68Å; T517-T528 HydrophobicContact CG2-CG2 4.48Å; I518-T528 HydrophobicContact CG1-CG2 4.12Å; L524-T528 HydrophobicContact CD2-CG2 4.16Å; K525-T528 WeakPolarHBondContact O-CA 3.48Å; K525-T528 WeakPolarHBondContact O-CB 3.21Å; K525-T528 PolarHBondContact O-N 3.48Å; P526-T528 VanDerWaalsContact C-N 3.34Å; P526-T528 PolarHBondContact O-N 2.77Å; T528-K531 PolarHBondContact O-N 2.91Å; T528-L532 VanDerWaalsContact O-CB 3.31Å; T528-L532 WeakPolarHBondContact O-CB 3.34Å; T528-L532 PolarHBondContact O-N 3.05Å
529	D	93	Very high	92.8	Very high	35 Å²	35	67.2 Å²	67.2	19%	0.187	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-46.6	175.9	-170.5	101.5	0	0	0	111.1	Y481 R485 K525 P526 K531 L532 K533	Y481-D529 VanDerWaalsContact CE2-OD1 3.28Å; Y481-D529 WeakPolarHBondContact CE2-OD1 3.32Å; Y481-D529 PolarHBondContact OH-O 3.34Å; Y481-D529 PolarHBondContact OH-OD2 2.94Å; Y481-D529 VanDerWaalsContact OH-OD2 3.1Å; R485-D529 IonicContact NH2-OD1 3.05Å; R485-D529 PolarHBondContact NH2-OD1 2.84Å; R485-D529 IonicContact NH2-OD2 3.95Å; K525-D529 PolarHBondContact O-N 2.83Å; P526-D529 PolarHBondContact O-N 2.83Å; D529-K531 PolarHBondContact O-N 2.85Å; D529-L532 PolarHBondContact O-N 3.18Å; D529-K533 WeakPolarHBondContact O-CB 3.44Å; D529-K533 PolarHBondContact O-N 3.23Å
530	E	94.2	Very high	92.7	Very high	121 Å²	121	60.7 Å²	60.7	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-62.9	-42.4	176.4	-74	-177.1	-179.3	0	0	112.7	P526 K533 K534	P526-E530 WeakPolarHBondContact O-CG 3.36Å; P526-E530 PolarHBondContact O-N 2.85Å; E530-K533 PolarHBondContact O-N 3.3Å; E530-K534 WeakPolarHBondContact O-CG 3.17Å; E530-K534 PolarHBondContact O-N 2.85Å
531	K	93.8	Very high	92.6	Very high	81 Å²	81	57.3 Å²	57.3	35%	0.352	31%	0.312	S	S	.	.	H	α-helix	trans	-62.8	-45.4	176.3	-177.3	173.4	176.1	177.6	0	111.2	D513 L514 A527 T528 D529 K533 K534 I535	D513-K531 IonicContact OD2-NZ 2.77Å; D513-K531 PolarHBondContact OD2-NZ 2.87Å; L514-K531 HydrophobicContact CD1-CB 4.47Å; L514-K531 HydrophobicContact CD1-CD 4.06Å; L514-K531 HydrophobicContact CD1-CG 4.23Å; A527-K531 WeakPolarHBondContact O-CB 3.41Å; A527-K531 PolarHBondContact O-N 2.75Å; T528-K531 PolarHBondContact O-N 2.91Å; D529-K531 PolarHBondContact O-N 2.85Å; K531-K533 PolarHBondContact O-N 3.32Å; K531-K534 PolarHBondContact O-N 3.33Å; K531-I535 HydrophobicContact CG-CD1 3.93Å; K531-I535 VanDerWaalsContact O-CG1 3.29Å; K531-I535 WeakPolarHBondContact O-CG1 3.45Å; K531-I535 PolarHBondContact O-N 2.91Å
532	L	93.6	Very high	92.3	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-43.2	177.1	178.4	56.4	0	0	0	111.4	V478 Y481 L514 T528 D529 K534 I535 V536	V478-L532 HydrophobicContact CB-CD1 4.35Å; V478-L532 HydrophobicContact CG1-CD1 3.92Å; V478-L532 HydrophobicContact CG2-CD1 3.95Å; V478-L532 HydrophobicContact CG2-CD2 4.41Å; Y481-L532 HydrophobicContact CD1-CD2 3.69Å; Y481-L532 HydrophobicContact CD1-CG 3.71Å; Y481-L532 HydrophobicContact CD2-CD2 3.71Å; Y481-L532 HydrophobicContact CD2-CG 4.5Å; Y481-L532 HydrophobicContact CE1-CD2 4.13Å; Y481-L532 HydrophobicContact CE1-CG 3.88Å; Y481-L532 HydrophobicContact CE2-CD2 4.13Å; Y481-L532 HydrophobicContact CG-CD2 3.47Å; Y481-L532 VanDerWaalsContact CG-CD2 3.47Å; Y481-L532 HydrophobicContact CG-CG 4.06Å; L514-L532 HydrophobicContact CD2-CB 4.39Å; L514-L532 HydrophobicContact CD2-CD1 3.94Å; T528-L532 VanDerWaalsContact O-CB 3.31Å; T528-L532 WeakPolarHBondContact O-CB 3.34Å; T528-L532 PolarHBondContact O-N 3.05Å; D529-L532 PolarHBondContact O-N 3.18Å; L532-K534 PolarHBondContact O-N 3.4Å; L532-I535 PolarHBondContact O-N 3.38Å; L532-V536 HydrophobicContact CD1-CG2 4.12Å; L532-V536 VanDerWaalsContact O-CG2 3.29Å; L532-V536 WeakPolarHBondContact O-CG2 3.39Å; L532-V536 PolarHBondContact O-N 3.45Å
533	K	94.8	Very high	92.1	Very high	111 Å²	111	56.5 Å²	56.5	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-56.7	-48.1	174.8	-175.2	-179.9	176.2	-177.6	0	112	D529 E530 K531 V536 V537	D529-K533 WeakPolarHBondContact O-CB 3.44Å; D529-K533 PolarHBondContact O-N 3.23Å; E530-K533 PolarHBondContact O-N 3.3Å; K531-K533 PolarHBondContact O-N 3.32Å; K533-V536 PolarHBondContact O-N 3.43Å; K533-V537 VanDerWaalsContact O-CG2 3.31Å; K533-V537 WeakPolarHBondContact O-CG2 3.36Å; K533-V537 PolarHBondContact O-N 3.3Å
534	K	94.7	Very high	90.9	Very high	135 Å²	135	59.6 Å²	59.6	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-58.8	-49.8	178	-72.7	177.6	-177.8	178.3	0	111.1	E530 K531 L532 V536 V537 D538	E530-K534 WeakPolarHBondContact O-CG 3.17Å; E530-K534 PolarHBondContact O-N 2.85Å; K531-K534 PolarHBondContact O-N 3.33Å; L532-K534 PolarHBondContact O-N 3.4Å; K534-V536 VanDerWaalsContact C-N 3.32Å; K534-V536 PolarHBondContact O-N 2.78Å; K534-V537 PolarHBondContact O-N 3.14Å; K534-V537 VanDerWaalsContact O-N 3.17Å; K534-D538 WeakPolarHBondContact O-CB 3.46Å; K534-D538 PolarHBondContact O-N 3.43Å
535	I	94.2	Very high	89.2	Confident	11 Å²	11	64.6 Å²	64.6	6%	0.056	36%	0.355	C	S	.	.	H	α-helix	trans	-56.4	-45	178.9	-69.9	166.7	0	0	0	111.9	F503 F506 V507 H511 L514 K531 L532 F539	F503-I535 HydrophobicContact CE2-CG2 4.2Å; F506-I535 HydrophobicContact CE1-CG2 4.06Å; V507-I535 HydrophobicContact CG2-CG2 4.31Å; H511-I535 HydrophobicContact CB-CD1 4.33Å; L514-I535 HydrophobicContact CD2-CD1 3.78Å; K531-I535 HydrophobicContact CG-CD1 3.93Å; K531-I535 VanDerWaalsContact O-CG1 3.29Å; K531-I535 WeakPolarHBondContact O-CG1 3.45Å; K531-I535 PolarHBondContact O-N 2.91Å; L532-I535 PolarHBondContact O-N 3.38Å; I535-F539 VanDerWaalsContact O-CB 3.27Å; I535-F539 WeakPolarHBondContact O-CB 3.45Å; I535-F539 PolarHBondContact O-N 2.9Å
536	V	93.6	Very high	87.2	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-45.5	178.9	173.3	0	0	0	0	111.2	Y481 A482 H487 F503 L532 K533 K534 L540	Y481-V536 HydrophobicContact CD1-CG2 4.31Å; A482-V536 HydrophobicContact CB-CG1 4.16Å; A482-V536 HydrophobicContact CB-CG2 4.46Å; H487-V536 HydrophobicContact CB-CG1 3.62Å; F503-V536 HydrophobicContact CE1-CG2 4.22Å; F503-V536 HydrophobicContact CE2-CG2 4.17Å; F503-V536 HydrophobicContact CZ-CB 4.45Å; F503-V536 HydrophobicContact CZ-CG2 3.5Å; L532-V536 HydrophobicContact CD1-CG2 4.12Å; L532-V536 VanDerWaalsContact O-CG2 3.29Å; L532-V536 WeakPolarHBondContact O-CG2 3.39Å; L532-V536 PolarHBondContact O-N 3.45Å; K533-V536 PolarHBondContact O-N 3.43Å; K534-V536 VanDerWaalsContact C-N 3.32Å; K534-V536 PolarHBondContact O-N 2.78Å; V536-L540 HydrophobicContact CG1-CD1 3.84Å; V536-L540 WeakPolarHBondContact O-CB 3.34Å; V536-L540 WeakPolarHBondContact O-CG 3.27Å; V536-L540 PolarHBondContact O-N 2.83Å
537	V	93.2	Very high	84.6	Confident	67 Å²	67	67.9 Å²	67.9	41%	0.406	39%	0.387	S	S	.	.	H	α-helix	trans	-67	-44.9	-178.7	172.3	0	0	0	0	111.5	K533 K534 F539 L540 A541	K533-V537 VanDerWaalsContact O-CG2 3.31Å; K533-V537 WeakPolarHBondContact O-CG2 3.36Å; K533-V537 PolarHBondContact O-N 3.3Å; K534-V537 PolarHBondContact O-N 3.14Å; K534-V537 VanDerWaalsContact O-N 3.17Å; V537-F539 VanDerWaalsContact C-N 3.35Å; V537-F539 PolarHBondContact O-N 3.22Å; V537-L540 PolarHBondContact O-N 3.35Å; V537-A541 PolarHBondContact O-N 2.95Å
538	D	92.3	Very high	84.2	Confident	113 Å²	113	67.6 Å²	67.6	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-63.6	-42.1	179.7	-65.1	-18.8	0	0	0	110.9	K534 A541 G542	K534-D538 WeakPolarHBondContact O-CB 3.46Å; K534-D538 PolarHBondContact O-N 3.43Å; D538-A541 PolarHBondContact O-N 3.29Å; D538-G542 PolarHBondContact O-N 2.7Å
539	F	92.9	Very high	83.8	Confident	32 Å²	32	70.4 Å²	70.4	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-64.8	-43.3	175.7	-176.5	-97.8	0	0	0	112	F499 D502 F503 F506 I535 V537 A541 G542 Y543	F499-F539 HydrophobicContact CD2-CD1 4.34Å; F499-F539 AromaticContact CD2-CE1 3.9Å; F499-F539 HydrophobicContact CD2-CE1 3.9Å; F499-F539 AromaticContact CE2-CD1 3.6Å; F499-F539 HydrophobicContact CE2-CD1 3.6Å; F499-F539 AromaticContact CE2-CE1 3.6Å; F499-F539 HydrophobicContact CE2-CE1 3.6Å; F499-F539 HydrophobicContact CZ-CD1 4.22Å; F499-F539 HydrophobicContact CZ-CE1 4.37Å; D502-F539 HydrophobicContact CB-CZ 4.01Å; F503-F539 HydrophobicContact CB-CD1 4.09Å; F503-F539 HydrophobicContact CB-CE1 3.67Å; F503-F539 HydrophobicContact CB-CZ 4.17Å; F503-F539 HydrophobicContact CD2-CB 4.18Å; F503-F539 AromaticContact CD2-CD1 3.51Å; F503-F539 HydrophobicContact CD2-CD1 3.51Å; F503-F539 HydrophobicContact CD2-CD2 4.41Å; F503-F539 AromaticContact CD2-CE1 3.97Å; F503-F539 HydrophobicContact CD2-CE1 3.97Å; F503-F539 AromaticContact CD2-CG 3.77Å; F503-F539 HydrophobicContact CD2-CG 3.77Å; F503-F539 HydrophobicContact CE2-CB 4.31Å; F503-F539 HydrophobicContact CE2-CD1 4.38Å; F503-F539 HydrophobicContact CE2-CG 4.38Å; F503-F539 HydrophobicContact CG-CD1 4.19Å; F503-F539 HydrophobicContact CG-CE1 4.27Å; F506-F539 HydrophobicContact CB-CD2 3.92Å; F506-F539 HydrophobicContact CB-CE2 3.61Å; F506-F539 HydrophobicContact CB-CZ 4.45Å; F506-F539 HydrophobicContact CD1-CB 4.41Å; F506-F539 AromaticContact CD1-CD2 3.56Å; F506-F539 HydrophobicContact CD1-CD2 3.56Å; F506-F539 HydrophobicContact CD1-CE2 4.18Å; F506-F539 HydrophobicContact CD1-CG 4.21Å; F506-F539 HydrophobicContact CD2-CD2 4.06Å; F506-F539 HydrophobicContact CD2-CE2 4.27Å; F506-F539 HydrophobicContact CE1-CB 4.34Å; F506-F539 HydrophobicContact CE1-CD2 4.07Å; F506-F539 AromaticContact CG-CD2 3.56Å; F506-F539 HydrophobicContact CG-CD2 3.56Å; F506-F539 AromaticContact CG-CE2 3.77Å; F506-F539 HydrophobicContact CG-CE2 3.77Å; I535-F539 VanDerWaalsContact O-CB 3.27Å; I535-F539 WeakPolarHBondContact O-CB 3.45Å; I535-F539 PolarHBondContact O-N 2.9Å; V537-F539 VanDerWaalsContact C-N 3.35Å; V537-F539 PolarHBondContact O-N 3.22Å; F539-A541 VanDerWaalsContact C-N 3.33Å; F539-A541 PolarHBondContact O-N 2.92Å; F539-G542 PolarHBondContact O-N 3.2Å; F539-Y543 HydrophobicContact CE1-CD2 4.1Å; F539-Y543 HydrophobicContact CE1-CG 4.47Å; F539-Y543 HydrophobicContact CZ-CD2 4.18Å; F539-Y543 WeakPolarHBondContact O-CB 3.49Å; F539-Y543 PolarHBondContact O-N 3.39Å
540	L	90.6	Very high	83.3	Confident	14 Å²	14	72.4 Å²	72.4	7%	0.073	40%	0.402	C	S	.	.	H	α-helix	trans	-64.1	-36	177.9	-80.5	167.3	0	0	0	112.9	H487 L488 F499 V536 V537 G542 Y543 Q544	H487-L540 HydrophobicContact CB-CD1 3.73Å; H487-L540 VanDerWaalsContact O-CD1 3.28Å; H487-L540 WeakPolarHBondContact O-CD1 3.41Å; L488-L540 HydrophobicContact CD2-CD2 4.39Å; F499-L540 HydrophobicContact CD2-CD2 3.94Å; F499-L540 HydrophobicContact CE2-CD2 3.32Å; F499-L540 HydrophobicContact CE2-CG 3.88Å; F499-L540 HydrophobicContact CZ-CD2 3.99Å; F499-L540 HydrophobicContact CZ-CG 4.28Å; V536-L540 HydrophobicContact CG1-CD1 3.84Å; V536-L540 WeakPolarHBondContact O-CB 3.34Å; V536-L540 WeakPolarHBondContact O-CG 3.27Å; V536-L540 PolarHBondContact O-N 2.83Å; V537-L540 PolarHBondContact O-N 3.35Å; L540-G542 VanDerWaalsContact C-N 3.31Å; L540-G542 PolarHBondContact O-N 3.36Å; L540-Y543 PolarHBondContact O-N 3.11Å; L540-Q544 PolarHBondContact O-N 3.13Å; L540-Q544 VanDerWaalsContact O-N 3.08Å
541	A	88.5	Confident	82.6	Confident	63 Å²	63	69.5 Å²	69.5	52%	0.521	39%	0.392	S	S	.	.	H	α-helix	trans	-60.3	-41.5	176	0	0	0	0	0	111.6	V537 D538 F539 T545	V537-A541 PolarHBondContact O-N 2.95Å; D538-A541 PolarHBondContact O-N 3.29Å; F539-A541 VanDerWaalsContact C-N 3.33Å; F539-A541 PolarHBondContact O-N 2.92Å; A541-T545 PolarHBondContact O-OG1 3.46Å
542	G	84.4	Confident	81.9	Confident	37 Å²	37	68.8 Å²	68.8	38%	0.381	40%	0.395	S	S	.	.	H	α-helix	trans	-75.7	-29.3	174.8	0	0	0	0	0	114.4	D538 F539 L540 T545 S546	D538-G542 PolarHBondContact O-N 2.7Å; F539-G542 PolarHBondContact O-N 3.2Å; L540-G542 VanDerWaalsContact C-N 3.31Å; L540-G542 PolarHBondContact O-N 3.36Å; G542-T545 WeakPolarHBondContact CA-OG1 3.47Å; G542-T545 PolarHBondContact O-OG1 3.4Å; G542-S546 PolarHBondContact O-N 2.63Å; G542-S546 PolarHBondContact O-OG 3.38Å
543	Y	83.6	Confident	81.1	Confident	31 Å²	31	73.4 Å²	73.4	12%	0.122	42%	0.421	C	S	.	.	H	α-helix	trans	-71.5	-38.9	-179.5	-163.8	-101.1	0	0	0	112.2	L491 H498 F499 D502 F539 L540 T545 S546	L491-Y543 HydrophobicContact CD1-CD1 4.16Å; L491-Y543 HydrophobicContact CD1-CE1 4.14Å; L491-Y543 HydrophobicContact CD2-CE1 4.5Å; H498-Y543 PolarHBondContact CD2-OH 2.95Å; F499-Y543 HydrophobicContact CB-CE1 4.07Å; F499-Y543 HydrophobicContact CD2-CD1 4.08Å; F499-Y543 HydrophobicContact CD2-CE1 4.25Å; F499-Y543 HydrophobicContact CD2-CG 4.27Å; F499-Y543 PolarHBondContact N-OH 3.23Å; D502-Y543 HydrophobicContact CB-CE2 4.38Å; F539-Y543 HydrophobicContact CE1-CD2 4.1Å; F539-Y543 HydrophobicContact CE1-CG 4.47Å; F539-Y543 HydrophobicContact CZ-CD2 4.18Å; F539-Y543 WeakPolarHBondContact O-CB 3.49Å; F539-Y543 PolarHBondContact O-N 3.39Å; L540-Y543 PolarHBondContact O-N 3.11Å; Y543-T545 VanDerWaalsContact C-N 3.26Å; Y543-T545 PolarHBondContact O-N 3.3Å; Y543-S546 PolarHBondContact O-N 2.84Å
544	Q	68	Low	80.2	Confident	117 Å²	117	70.7 Å²	70.7	55%	0.547	42%	0.417	S	S	.	.	H	α-helix	trans	-69.9	-22.8	178.5	-70.8	-177	-5.8	0	0	113.5	L540	L540-Q544 PolarHBondContact O-N 3.13Å; L540-Q544 VanDerWaalsContact O-N 3.08Å
545	T	55.9	Low	79.1	Confident	114 Å²	114	65.8 Å²	65.8	70%	0.699	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.6	174.9	46.3	0	0	0	0	113.8	A541 G542 Y543	A541-T545 PolarHBondContact O-OG1 3.46Å; G542-T545 WeakPolarHBondContact CA-OG1 3.47Å; G542-T545 PolarHBondContact O-OG1 3.4Å; Y543-T545 VanDerWaalsContact C-N 3.26Å; Y543-T545 PolarHBondContact O-N 3.3Å
546	S	50.9	Low	77.8	Confident	67 Å²	67	70.3 Å²	70.3	47%	0.469	43%	0.432	S	S	.	.			trans	-83.5	132	177.9	-59.3	0	0	0	0	110.1	G542 Y543	G542-S546 PolarHBondContact O-N 2.63Å; G542-S546 PolarHBondContact O-OG 3.38Å; Y543-S546 PolarHBondContact O-N 2.84Å
547	P	39.8	Very low	76.4	Confident	189 Å²	189	76.7 Å²	76.7	100%	1.227	47%	0.472	S	S	*	.			trans	-60.8	0	-172.5	22.1	-31.9	0	0	0	114.4

Retrieved 547 of 547 residues in 125.4 ms (Link to these results)

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