A0A5F8A798_MACMU Loading...

G protein-activated inward rectifier potassium channel 4

AlphaFold DB , UniProt , Accession A0A5F8A798, Species MACMU (Macaca mulatta, Rhesus macaque), Gene KCNJ5, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	31.8	Very low	242 Å²	242	149 Å²	149	100%	1.192	84%	0.841	S	S	*	*				0	99.3	0	-73.3	177.7	172	0	0	105.9
2	A	35.3	Very low	31.6	Very low	109 Å²	109	150.1 Å²	150.1	90%	0.901	84%	0.843	S	S	*	*				71.4	121.5	107.7	0	0	0	0	0	110.9
3	G	33.8	Very low	31.5	Very low	83 Å²	83	152.8 Å²	152.8	86%	0.856	85%	0.849	S	S	*	*			cis	-162.7	172.6	18.1	0	0	0	0	0	112.9
4	D	30.8	Very low	31.3	Very low	158 Å²	158	155.1 Å²	155.1	85%	0.845	85%	0.85	S	S	*	*			trans	-93.9	170.4	-167.9	-159.7	-0.2	0	0	0	111.7
5	S	32.9	Very low	31.3	Very low	95 Å²	95	154.9 Å²	154.9	66%	0.664	85%	0.845	S	S	*	*			trans	110.4	102	159.2	-48.3	0	0	0	0	116.5
6	R	31.8	Very low	31.2	Very low	237 Å²	237	150.1 Å²	150.1	89%	0.894	84%	0.842	S	S	*	*				-177.7	106.7	94.7	-92.4	169.4	178.5	-179.1	-0.4	111.7
7	N	29.8	Very low	31.1	Very low	162 Å²	162	148.3 Å²	148.3	87%	0.866	84%	0.835	S	S	*	*			trans	16.5	140.7	130.5	-70.7	-8.7	0	0	0	117.8
8	A	28.1	Very low	31.2	Very low	84 Å²	84	146.6 Å²	146.6	69%	0.694	83%	0.829	S	S	*	*			cis	-174.8	164.2	12.6	0	0	0	0	0	110.2
9	M	30.8	Very low	31.2	Very low	144 Å²	144	145.3 Å²	145.3	71%	0.709	83%	0.827	S	S	*	*			trans	67.7	86.8	154.8	-75.6	165.8	84.6	0	0	118.4	Q11	M9-Q11 HydrophobicContact CE-CG 4.32Å
10	N	27.5	Very low	31.1	Very low	170 Å²	170	150.4 Å²	150.4	91%	0.909	83%	0.832	S	S	*	*			trans	-78.1	110.1	138.9	-94.6	-13.7	0	0	0	107.6
11	Q	31.8	Very low	31.2	Very low	155 Å²	155	150.2 Å²	150.2	72%	0.724	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-103.3	122.2	158.9	-92	177.2	-26.8	0	0	107	M9 M13	M9-Q11 HydrophobicContact CE-CG 4.32Å; Q11-M13 PolarHBondContact O-N 3.24Å
12	D	29.2	Very low	31.2	Very low	162 Å²	162	144.2 Å²	144.2	87%	0.866	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-54.5	117.8	176.4	-64	-56.3	0	0	0	110.5
13	M	30.2	Very low	31.4	Very low	185 Å²	185	148.4 Å²	148.4	91%	0.911	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-82.3	120.7	176.1	-167.7	167.2	66.1	0	0	109	Q11	Q11-M13 PolarHBondContact O-N 3.24Å
14	E	29.8	Very low	31.4	Very low	185 Å²	185	156.1 Å²	156.1	86%	0.864	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-48.3	132.3	-177.2	-67.2	174.4	135.7	0	0	113.7	G16	E14-G16 PolarHBondContact O-N 3.11Å; E14-G16 VanDerWaalsContact O-N 3.11Å
15	I	30.9	Very low	31.8	Very low	153 Å²	153	155.2 Å²	155.2	79%	0.785	81%	0.805	S	S	*	*			trans	-70.4	100.4	165.9	-60.3	171	0	0	0	107	V17	I15-V17 VanDerWaalsContact C-N 3.31Å; I15-V17 HydrophobicContact CG2-CG2 3.88Å; I15-V17 PolarHBondContact O-N 2.9Å
16	G	29.1	Very low	31.9	Very low	77 Å²	77	156 Å²	156	79%	0.794	81%	0.807	S	S	*	*			trans	-67.2	86	170.4	0	0	0	0	0	111.2	E14 T18	E14-G16 PolarHBondContact O-N 3.11Å; E14-G16 VanDerWaalsContact O-N 3.11Å; G16-T18 PolarHBondContact O-N 3.23Å
17	V	31	Very low	32.2	Very low	120 Å²	120	155 Å²	155	73%	0.727	81%	0.81	S	S	*	*			trans	-78.4	108.3	164.7	-179.2	0	0	0	0	107.3	I15	I15-V17 VanDerWaalsContact C-N 3.31Å; I15-V17 HydrophobicContact CG2-CG2 3.88Å; I15-V17 PolarHBondContact O-N 2.9Å
18	T	32.1	Very low	32.6	Very low	117 Å²	117	156.5 Å²	156.5	72%	0.718	81%	0.811	S	S	*	*			trans	-63.7	130.3	170.6	44.9	0	0	0	0	109.5	G16 W20	G16-T18 PolarHBondContact O-N 3.23Å; T18-W20 PolarHBondContact O-N 3.18Å
19	P	31.8	Very low	33.1	Very low	122 Å²	122	156.5 Å²	156.5	79%	0.792	81%	0.811	S	S	*	*			trans	-67.7	121.4	177.3	-16.4	29.7	0	0	0	109.9	D21	P19-D21 PolarHBondContact O-N 3.23Å
20	W	27.8	Very low	33.5	Very low	247 Å²	247	161.1 Å²	161.1	94%	0.936	82%	0.821	S	S	*	*			trans	-63.9	112.3	167	-114.6	53.3	0	0	0	109.2	T18 P22	T18-W20 PolarHBondContact O-N 3.18Å; W20-P22 WeakPolarHBondContact O-CD 3.5Å
21	D	34.1	Very low	33.6	Very low	147 Å²	147	162.2 Å²	162.2	79%	0.786	82%	0.82	S	S	*	*			trans	-62.7	123.6	170	-95.5	-42.2	0	0	0	110.2	P19 K23	P19-D21 PolarHBondContact O-N 3.23Å; D21-K23 PolarHBondContact O-N 3.06Å; D21-K23 VanDerWaalsContact O-N 3.09Å
22	P	37.7	Very low	33.7	Very low	117 Å²	117	165.5 Å²	165.5	76%	0.76	83%	0.828	S	S	*	*			trans	-69.9	112.5	173.9	25.9	-28.9	0	0	0	109.3	W20 R24	W20-P22 WeakPolarHBondContact O-CD 3.5Å; P22-R24 PolarHBondContact O-N 3.42Å
23	K	37.8	Very low	34	Very low	197 Å²	197	164 Å²	164	86%	0.857	83%	0.825	S	S	*	*			trans	-44.5	124	169.2	-79.3	176.9	177.3	174.8	0	109.8	D21 I25	D21-K23 PolarHBondContact O-N 3.06Å; D21-K23 VanDerWaalsContact O-N 3.09Å; K23-I25 PolarHBondContact O-N 3.46Å; K23-I25 VanDerWaalsContact O-N 3.12Å
24	R	35.1	Very low	34.7	Very low	245 Å²	245	160.4 Å²	160.4	93%	0.925	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-50.7	116.3	174.7	-73.7	179.5	179.8	-176	0.2	110.2	P22	P22-R24 PolarHBondContact O-N 3.42Å
25	I	39.6	Very low	34.9	Very low	139 Å²	139	159.2 Å²	159.2	71%	0.713	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62.4	135.8	168	-59.2	167.6	0	0	0	108	K23	K23-I25 PolarHBondContact O-N 3.46Å; K23-I25 VanDerWaalsContact O-N 3.12Å
26	P	33.3	Very low	35.4	Very low	111 Å²	111	156.2 Å²	156.2	72%	0.721	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-59.9	137.4	176.4	21	-29.6	0	0	0	111.4	Q28	P26-Q28 PolarHBondContact O-N 3.42Å
27	K	38.9	Very low	35.9	Very low	217 Å²	217	159.1 Å²	159.1	94%	0.943	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	61.9	-174.8	-74.8	-176.1	171.1	-177.1	0	113.7
28	Q	38.3	Very low	36.2	Very low	192 Å²	192	159.6 Å²	159.6	90%	0.897	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.7	12.7	172.1	-126.5	171.8	-3.3	0	0	115.4	P26	P26-Q28 PolarHBondContact O-N 3.42Å
29	A	39.5	Very low	36.7	Very low	85 Å²	85	164.6 Å²	164.6	70%	0.702	82%	0.817	S	S	*	*	S	Bend	trans	-124	69.1	177.1	0	0	0	0	0	111.2
30	R	37.5	Very low	37.3	Very low	241 Å²	241	165.2 Å²	165.2	91%	0.909	82%	0.819	S	S	*	*			trans	-171.8	100.5	154.6	-117.2	179.4	-178.8	175.7	0.9	109.4
31	E	31.2	Very low	37.7	Very low	192 Å²	192	164.5 Å²	164.5	90%	0.897	82%	0.816	S	S	*	*			trans	-168.9	99.6	138.9	-107.5	166.2	-161.7	0	0	109.1
32	Y	33.4	Very low	38	Very low	224 Å²	224	166.1 Å²	166.1	88%	0.878	82%	0.824	S	S	*	*			trans	-135.8	97.6	155	-119.7	-85.5	0	0	0	106
33	V	35.3	Very low	38.3	Very low	132 Å²	132	167.5 Å²	167.5	80%	0.8	82%	0.824	S	S	*	*			trans	-142.8	118.2	156.6	-177.4	0	0	0	0	106.4
34	P	44.9	Very low	38.7	Very low	109 Å²	109	163 Å²	163	71%	0.708	82%	0.824	S	S	*	*			trans	-97.1	117.7	177.7	33.3	-24.3	0	0	0	109.8
35	I	34.6	Very low	39.1	Very low	160 Å²	160	160.1 Å²	160.1	82%	0.821	82%	0.821	S	S	*	*			trans	-147.1	118.9	153.5	-57.6	-176.3	0	0	0	108.4
36	A	41.5	Very low	39.4	Very low	90 Å²	90	156.6 Å²	156.6	74%	0.744	82%	0.819	S	S	*	*			trans	-76.7	140	175.4	0	0	0	0	0	111.5
37	T	38.3	Very low	40.3	Very low	137 Å²	137	161 Å²	161	84%	0.84	83%	0.827	S	S	*	*			trans	-165.5	119	133.1	16.7	0	0	0	0	111.7
38	D	36.8	Very low	41.2	Very low	131 Å²	131	159.9 Å²	159.9	70%	0.701	82%	0.822	S	S	*	*			trans	59.8	115	135.5	-124.8	-3.4	0	0	0	122.3
39	R	44.2	Very low	42.5	Very low	221 Å²	221	156.6 Å²	156.6	83%	0.834	82%	0.818	S	S	*	*			trans	57.5	62.4	140.2	-82	173	167.7	-177.5	-1.2	118.9
40	T	43	Very low	44.3	Very low	135 Å²	135	156.9 Å²	156.9	83%	0.828	80%	0.801	S	S	*	*			trans	-166.1	102.8	137.1	-8.5	0	0	0	0	111
41	R	36.5	Very low	46.4	Very low	232 Å²	232	153.3 Å²	153.3	88%	0.875	79%	0.794	S	S	*	*			trans	163.2	63	149	-89.1	168.5	-172.5	-157.5	3.8	109.8	L43	R41-L43 PolarHBondContact O-N 3.02Å
42	L	41.3	Very low	49.3	Very low	181 Å²	181	146.3 Å²	146.3	95%	0.948	76%	0.76	S	S	*	*			trans	-80.7	65.1	152.3	-80.9	167.5	0	0	0	108.1
43	L	44	Very low	52	Low	146 Å²	146	138.8 Å²	138.8	76%	0.764	73%	0.73	S	S	*	*			trans	-123.1	104.6	157.8	-74.3	172	0	0	0	103.6	R41 E45	R41-L43 PolarHBondContact O-N 3.02Å; L43-E45 VanDerWaalsContact C-N 3.29Å; L43-E45 PolarHBondContact O-N 3.22Å
44	A	45.7	Very low	54.7	Low	104 Å²	104	132.9 Å²	132.9	86%	0.86	69%	0.694	S	S	*	*			trans	-52.4	102	165.6	0	0	0	0	0	106.8	G46	A44-G46 VanDerWaalsContact C-N 3.35Å; A44-G46 PolarHBondContact O-N 2.86Å
45	E	44.2	Very low	57	Low	183 Å²	183	131.1 Å²	131.1	86%	0.855	68%	0.676	S	S	*	*			trans	-55.5	109.2	160.5	-83.4	-172	131.1	0	0	105	L43 K47	L43-E45 VanDerWaalsContact C-N 3.29Å; L43-E45 PolarHBondContact O-N 3.22Å; E45-K47 PolarHBondContact O-N 3.28Å
46	G	45.3	Very low	59.7	Low	66 Å²	66	126.4 Å²	126.4	68%	0.68	65%	0.65	S	S	*	*			trans	-52	114.6	167.2	0	0	0	0	0	106.3	A44 K48	A44-G46 VanDerWaalsContact C-N 3.35Å; A44-G46 PolarHBondContact O-N 2.86Å; G46-K48 PolarHBondContact O-N 2.79Å
47	K	52.7	Low	61.8	Low	204 Å²	204	125.7 Å²	125.7	89%	0.887	64%	0.639	S	S	*	*			trans	-45.6	116.8	177.9	-79.5	-177.7	174.8	-175.7	0	106.9	E45	E45-K47 PolarHBondContact O-N 3.28Å
48	K	56.7	Low	64.2	Low	192 Å²	192	119.3 Å²	119.3	84%	0.835	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-52.3	133.4	173.2	-75.6	-179.7	179.3	174.8	0	107.2	G46 R50	G46-K48 PolarHBondContact O-N 2.79Å; K48-R50 PolarHBondContact O-N 3.38Å
49	P	65.6	Low	66.6	Low	124 Å²	124	119.7 Å²	119.7	81%	0.805	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-56.6	127	-178.7	22	-31.4	0	0	0	108.8	Q51	P49-Q51 PolarHBondContact O-N 3.18Å
50	R	77.3	Confident	68.8	Low	91 Å²	91	112.2 Å²	112.2	34%	0.343	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-57.7	132.7	-178.7	-173.8	174.5	73.7	132.9	0.6	109.2	K48 F299 M323 D324	K48-R50 PolarHBondContact O-N 3.38Å; R50-F299 PolarHBondContact NH2-O 2.82Å; R50-M323 HydrophobicContact CB-CE 4.46Å; R50-M323 HydrophobicContact CG-CE 4.4Å; R50-M323 PolarHBondContact NH2-SD 3.13Å; R50-M323 WeakPolarHBondContact O-CE 3.39Å; R50-D324 IonicContact CZ-OD1 2.61Å; R50-D324 IonicContact NE-OD1 2.93Å; R50-D324 IonicContact NH2-OD1 3.74Å; R50-D324 PolarHBondContact NH2-OD1 3.21Å
51	Q	82.9	Confident	70.9	Confident	165 Å²	165	108.4 Å²	108.4	77%	0.771	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-79.7	124.4	-179.2	-168.8	161.6	4.7	0	0	110.1	P49	P49-Q51 PolarHBondContact O-N 3.18Å
52	R	90.8	Very high	73.4	Confident	46 Å²	46	100 Å²	100	17%	0.174	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-75.8	144.8	173.5	52.9	-153.9	-43.1	151.2	17.1	112.1	M54 N61 S321 M323 E326	R52-M54 VanDerWaalsContact C-N 3.34Å; R52-M54 WeakPolarHBondContact CB-O 3.49Å; R52-M54 WeakPolarHBondContact CD-O 3.25Å; R52-M54 WeakPolarHBondContact CG-O 3.41Å; R52-M54 PolarHBondContact NE-O 3.18Å; R52-N61 WeakPolarHBondContact O-CB 3.4Å; R52-N61 PolarHBondContact O-ND2 3.12Å; R52-S321 PolarHBondContact NH2-O 3.07Å; R52-S321 PolarHBondContact NH2-OG 3.4Å; R52-M323 HydrophobicContact CB-CE 3.32Å; R52-M323 HydrophobicContact CG-CE 4.38Å; R52-M323 VanDerWaalsContact N-CE 3.32Å; R52-E326 IonicContact CZ-OE1 3.82Å; R52-E326 IonicContact CZ-OE2 2.64Å; R52-E326 IonicContact NH1-OE1 3.35Å; R52-E326 PolarHBondContact NH1-OE1 2.78Å; R52-E326 IonicContact NH1-OE2 2.81Å; R52-E326 IonicContact NH2-OE1 2.78Å; R52-E326 PolarHBondContact NH2-OE1 3.09Å; R52-E326 IonicContact NH2-OE2 3.02Å; R52-E326 PolarHBondContact NH2-OE2 2.93Å
53	Y	90.9	Very high	75.4	Confident	65 Å²	65	100.3 Å²	100.3	26%	0.255	52%	0.522	S	S	.	.	S	Bend	trans	-65.8	-39.3	169.5	-178.3	-104.8	0	0	0	111.3	N61 V62 I239 L252 E300	Y53-N61 PolarHBondContact O-N 3.32Å; Y53-V62 HydrophobicContact CD2-CG2 3.9Å; Y53-V62 HydrophobicContact CE2-CG2 3.35Å; Y53-I239 HydrophobicContact CD1-CD1 3.42Å; Y53-I239 VanDerWaalsContact CD1-CD1 3.42Å; Y53-I239 HydrophobicContact CE1-CD1 3.86Å; Y53-I239 HydrophobicContact CG-CD1 4.01Å; Y53-L252 HydrophobicContact CD2-CD1 3.66Å; Y53-L252 HydrophobicContact CE2-CD1 3.9Å; Y53-E300 WeakPolarHBondContact CB-OE2 3.36Å; Y53-E300 PolarHBondContact N-OE2 3.44Å
54	M	92.4	Very high	77	Confident	8 Å²	8	100.8 Å²	100.8	4%	0.039	52%	0.52	C	S	.	.	B	Isolated β-bridge	trans	-131.6	138	178	-170.7	178.2	-73.9	0	0	111	R52 K59 C60 E300 V302 R319 S321	R52-M54 VanDerWaalsContact C-N 3.34Å; R52-M54 WeakPolarHBondContact CB-O 3.49Å; R52-M54 WeakPolarHBondContact CD-O 3.25Å; R52-M54 WeakPolarHBondContact CG-O 3.41Å; R52-M54 PolarHBondContact NE-O 3.18Å; M54-K59 CarbonylContact C-O 3.57Å; M54-K59 WeakPolarHBondContact CA-O 3.15Å; M54-K59 WeakPolarHBondContact CG-O 3.45Å; M54-C60 VanDerWaalsContact CE-SG 3.59Å; M54-E300 PolarHBondContact N-OE1 2.84Å; M54-V302 HydrophobicContact CB-CG2 4.44Å; M54-V302 HydrophobicContact CE-CG1 3.81Å; M54-V302 HydrophobicContact SD-CG1 3.8Å; M54-R319 HydrophobicContact CE-CB 4.12Å; M54-R319 HydrophobicContact CE-CG 4.45Å; M54-R319 HydrophobicContact SD-CB 3.52Å; M54-R319 VanDerWaalsContact SD-CB 3.52Å; M54-R319 HydrophobicContact SD-CG 4.45Å; M54-S321 PolarHBondContact O-OG 2.83Å
55	E	92.1	Very high	78.4	Confident	73 Å²	73	98.9 Å²	98.9	34%	0.341	51%	0.511	S	S	.	.			trans	-72.3	158.1	171.5	-65.5	-176.3	175.4	0	0	111.5	S57 G58 K59	E55-S57 WeakPolarHBondContact CB-OG 3.34Å; E55-S57 PolarHBondContact O-N 2.91Å; E55-S57 VanDerWaalsContact O-N 3.1Å; E55-S57 PolarHBondContact OE2-OG 3.4Å; E55-G58 PolarHBondContact O-N 2.85Å; E55-K59 HydrophobicContact CB-CB 4.42Å; E55-K59 HydrophobicContact CG-CB 4.48Å; E55-K59 PolarHBondContact N-O 3.35Å
56	K	90.8	Very high	80	Confident	60 Å²	60	97 Å²	97	26%	0.261	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.7	169.1	-72.8	-75	-178	-170.5	0	113.5	G58 N204 S320 S321 E326	K56-G58 PolarHBondContact O-N 3.49Å; K56-N204 WeakPolarHBondContact CE-O 3.37Å; K56-N204 PolarHBondContact NZ-O 3.18Å; K56-S320 PolarHBondContact O-OG 3.24Å; K56-S321 VanDerWaalsContact CD-O 3.27Å; K56-S321 WeakPolarHBondContact CD-O 3.49Å; K56-S321 WeakPolarHBondContact CE-O 3.29Å; K56-S321 PolarHBondContact NZ-O 3.49Å; K56-E326 WeakPolarHBondContact CE-OE1 3.43Å; K56-E326 WeakPolarHBondContact CE-OE2 3.24Å; K56-E326 VanDerWaalsContact NZ-CD 3.31Å; K56-E326 IonicContact NZ-OE1 2.78Å; K56-E326 IonicContact NZ-OE2 3.52Å; K56-E326 PolarHBondContact NZ-OE2 3.15Å
57	S	87.4	Confident	81.4	Confident	76 Å²	76	97 Å²	97	53%	0.531	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.5	175.1	71.3	0	0	0	0	113.7	E55	E55-S57 WeakPolarHBondContact CB-OG 3.34Å; E55-S57 PolarHBondContact O-N 2.91Å; E55-S57 VanDerWaalsContact O-N 3.1Å; E55-S57 PolarHBondContact OE2-OG 3.4Å
58	G	86.9	Confident	82.3	Confident	3 Å²	3	95.3 Å²	95.3	3%	0.031	49%	0.488	C	S	.	.	S	Bend	trans	84.5	5.9	-177.1	0	0	0	0	0	115.2	E55 K56 R319	E55-G58 PolarHBondContact O-N 2.85Å; K56-G58 PolarHBondContact O-N 3.49Å; G58-R319 WeakPolarHBondContact CA-O 3.43Å; G58-R319 PolarHBondContact N-O 3.4Å; G58-R319 PolarHBondContact O-NE 2.9Å; G58-R319 PolarHBondContact O-NH2 3.09Å; G58-R319 VanDerWaalsContact O-NH2 3.17Å
59	K	88.4	Confident	83.4	Confident	138 Å²	138	89.7 Å²	89.7	60%	0.6	47%	0.465	S	S	*	.			trans	-76.9	134.2	171.3	-68.5	178	-174.6	166.2	0	110.7	M54 E55	M54-K59 CarbonylContact C-O 3.57Å; M54-K59 WeakPolarHBondContact CA-O 3.15Å; M54-K59 WeakPolarHBondContact CG-O 3.45Å; E55-K59 HydrophobicContact CB-CB 4.42Å; E55-K59 HydrophobicContact CG-CB 4.48Å; E55-K59 PolarHBondContact N-O 3.35Å
60	C	89.4	Confident	83.8	Confident	65 Å²	65	88.3 Å²	88.3	44%	0.439	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-87.1	130	176.6	-55.3	0	0	0	0	110.7	M54 V62	M54-C60 VanDerWaalsContact CE-SG 3.59Å; C60-V62 HydrophobicContact CB-CG2 4.49Å; C60-V62 PolarHBondContact O-N 3.4Å
61	N	88.2	Confident	83.9	Confident	54 Å²	54	90.4 Å²	90.4	29%	0.289	46%	0.464	S	S	.	.			trans	-86.8	53	177	-69.7	-27	0	0	0	111.4	R52 Y53	R52-N61 WeakPolarHBondContact O-CB 3.4Å; R52-N61 PolarHBondContact O-ND2 3.12Å; Y53-N61 PolarHBondContact O-N 3.32Å
62	V	87.8	Confident	83.8	Confident	57 Å²	57	89.5 Å²	89.5	35%	0.345	45%	0.453	S	S	.	.			trans	-124.8	120.7	-176.7	-176.5	0	0	0	0	109.5	Y53 C60	Y53-V62 HydrophobicContact CD2-CG2 3.9Å; Y53-V62 HydrophobicContact CE2-CG2 3.35Å; C60-V62 HydrophobicContact CB-CG2 4.49Å; C60-V62 PolarHBondContact O-N 3.4Å
63	H	83.4	Confident	83.1	Confident	186 Å²	186	93.8 Å²	93.8	86%	0.861	47%	0.47	S	S	*	.			trans	-103	120.6	171.7	-70.6	-74.1	0	0	0	109.7	G65	H63-G65 PolarHBondContact O-N 3.38Å
64	H	78.4	Confident	82.4	Confident	157 Å²	157	97 Å²	97	73%	0.727	49%	0.491	S	S	*	.			trans	-78.1	99.4	174.2	-61.6	89.2	0	0	0	109	V67	H64-V67 HydrophobicContact CB-CG2 4.25Å
65	G	75.7	Confident	81.9	Confident	64 Å²	64	101.8 Å²	101.8	66%	0.66	53%	0.525	S	S	*	.			trans	-88.6	152.7	175.1	0	0	0	0	0	112.5	H63 V67	H63-G65 PolarHBondContact O-N 3.38Å; G65-V67 PolarHBondContact O-N 3.02Å
66	N	76.4	Confident	81.7	Confident	144 Å²	144	101.8 Å²	101.8	77%	0.77	53%	0.528	S	S	*	.			trans	57.5	42.8	171.4	-164.6	46.2	0	0	0	115.3	Q68	N66-Q68 PolarHBondContact O-N 3.38Å
67	V	75.3	Confident	81.4	Confident	65 Å²	65	103.2 Å²	103.2	39%	0.394	54%	0.538	S	S	.	.			trans	-76.2	101	169.3	-176	0	0	0	0	108.2	H64 G65 E69	H64-V67 HydrophobicContact CB-CG2 4.25Å; G65-V67 PolarHBondContact O-N 3.02Å; V67-E69 PolarHBondContact O-N 2.95Å
68	Q	71.7	Confident	81.3	Confident	168 Å²	168	103.4 Å²	103.4	79%	0.785	53%	0.529	S	S	*	.	S	Bend	trans	-67.3	-21	-176.8	-68.6	-174.5	-28.8	0	0	113.4	N66	N66-Q68 PolarHBondContact O-N 3.38Å
69	E	79	Confident	81.3	Confident	74 Å²	74	106.1 Å²	106.1	35%	0.346	55%	0.545	S	S	.	.			trans	-107.4	58	-172.2	-61	177.2	123.8	0	0	112.3	V67 Y71 R72	V67-E69 PolarHBondContact O-N 2.95Å; E69-Y71 HydrophobicContact CB-CD1 4.06Å; E69-Y71 HydrophobicContact CB-CE1 3.55Å; E69-Y71 HydrophobicContact CG-CE1 3.78Å; E69-Y71 PolarHBondContact O-N 3.45Å; E69-Y71 PolarHBondContact OE1-OH 3.23Å; E69-R72 HydrophobicContact CB-CG 4.16Å; E69-R72 PolarHBondContact O-N 3.19Å; E69-R72 IonicContact OE1-CZ 2.79Å; E69-R72 IonicContact OE1-NE 2.87Å; E69-R72 IonicContact OE1-NH2 2.77Å; E69-R72 PolarHBondContact OE1-NH2 2.93Å; E69-R72 IonicContact OE2-CZ 2.83Å; E69-R72 IonicContact OE2-NE 2.83Å; E69-R72 PolarHBondContact OE2-NE 3.48Å; E69-R72 IonicContact OE2-NH1 3.4Å; E69-R72 PolarHBondContact OE2-NH1 2.95Å; E69-R72 IonicContact OE2-NH2 3.73Å; E69-R72 PolarHBondContact OE2-NH2 3.16Å
70	T	75.3	Confident	81.3	Confident	96 Å²	96	101.5 Å²	101.5	59%	0.589	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.6	179.3	52.9	0	0	0	0	113.6	R72 Y73	T70-R72 PolarHBondContact O-N 2.61Å; T70-Y73 PolarHBondContact O-N 3.15Å
71	Y	79.6	Confident	81.3	Confident	135 Å²	135	99.2 Å²	99.2	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-60.9	-24	175.9	72.9	-91.7	0	0	0	113.2	E69 Y73 L74 S75	E69-Y71 HydrophobicContact CB-CD1 4.06Å; E69-Y71 HydrophobicContact CB-CE1 3.55Å; E69-Y71 HydrophobicContact CG-CE1 3.78Å; E69-Y71 PolarHBondContact O-N 3.45Å; E69-Y71 PolarHBondContact OE1-OH 3.23Å; Y71-Y73 PolarHBondContact O-N 2.84Å; Y71-L74 PolarHBondContact O-N 2.94Å; Y71-S75 PolarHBondContact O-N 2.93Å
72	R	80.4	Confident	81.3	Confident	145 Å²	145	96.8 Å²	96.8	55%	0.547	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-32	177.8	-68	-176.6	178.5	-168.7	4.3	112.3	E69 T70 L74 S75 D76	E69-R72 HydrophobicContact CB-CG 4.16Å; E69-R72 PolarHBondContact O-N 3.19Å; E69-R72 IonicContact OE1-CZ 2.79Å; E69-R72 IonicContact OE1-NE 2.87Å; E69-R72 IonicContact OE1-NH2 2.77Å; E69-R72 PolarHBondContact OE1-NH2 2.93Å; E69-R72 IonicContact OE2-CZ 2.83Å; E69-R72 IonicContact OE2-NE 2.83Å; E69-R72 PolarHBondContact OE2-NE 3.48Å; E69-R72 IonicContact OE2-NH1 3.4Å; E69-R72 PolarHBondContact OE2-NH1 2.95Å; E69-R72 IonicContact OE2-NH2 3.73Å; E69-R72 PolarHBondContact OE2-NH2 3.16Å; T70-R72 PolarHBondContact O-N 2.61Å; R72-L74 VanDerWaalsContact C-N 3.34Å; R72-S75 PolarHBondContact O-N 2.92Å; R72-D76 PolarHBondContact O-N 3.49Å
73	Y	76.3	Confident	81.3	Confident	136 Å²	136	98.8 Å²	98.8	53%	0.533	51%	0.508	S	S	.	.	H	α-helix	trans	-67	-35.3	173.6	-64.9	-71.5	0	0	0	112.1	T70 Y71 D76 T80	T70-Y73 PolarHBondContact O-N 3.15Å; Y71-Y73 PolarHBondContact O-N 2.84Å; Y73-D76 CarbonylContact O-C 3.54Å; Y73-D76 PolarHBondContact O-N 3.3Å; Y73-T80 PolarHBondContact O-OG1 3.14Å
74	L	76.4	Confident	81.5	Confident	133 Å²	133	92.5 Å²	92.5	70%	0.696	48%	0.48	S	S	*	.	H	α-helix	trans	-75.6	-29.8	177.8	-64.1	176.4	0	0	0	112.5	Y71 R72 D76	Y71-L74 PolarHBondContact O-N 2.94Å; R72-L74 VanDerWaalsContact C-N 3.34Å; L74-D76 PolarHBondContact O-N 3.47Å
75	S	81.8	Confident	82.1	Confident	108 Å²	108	92.5 Å²	92.5	76%	0.755	48%	0.478	S	S	*	.	H	α-helix	trans	-64.1	-27.4	174.6	-170.8	0	0	0	0	112.4	Y71 R72	Y71-S75 PolarHBondContact O-N 2.93Å; R72-S75 PolarHBondContact O-N 2.92Å
76	D	86.7	Confident	82.8	Confident	73 Å²	73	94.9 Å²	94.9	39%	0.39	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	66.5	174.3	-167.6	1.2	0	0	0	110.5	R72 Y73 L74 F78 T79 T80	R72-D76 PolarHBondContact O-N 3.49Å; Y73-D76 CarbonylContact O-C 3.54Å; Y73-D76 PolarHBondContact O-N 3.3Å; L74-D76 PolarHBondContact O-N 3.47Å; D76-F78 VanDerWaalsContact C-N 3.25Å; D76-F78 PolarHBondContact O-N 2.59Å; D76-T79 PolarHBondContact O-OG1 3.24Å; D76-T79 WeakPolarHBondContact OD1-CG2 3.35Å; D76-T79 PolarHBondContact OD1-N 3.05Å; D76-T79 PolarHBondContact OD1-OG1 3.01Å; D76-T79 VanDerWaalsContact OD1-OG1 3.13Å; D76-T79 WeakPolarHBondContact OD2-CB 3.31Å; D76-T79 WeakPolarHBondContact OD2-CG2 3.36Å; D76-T79 PolarHBondContact OD2-OG1 3.16Å; D76-T80 WeakPolarHBondContact O-CB 3.48Å; D76-T80 PolarHBondContact O-N 3.41Å; D76-T80 PolarHBondContact O-OG1 3.06Å
77	L	84.4	Confident	83.6	Confident	90 Å²	90	98.5 Å²	98.5	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-61.9	-34.9	-178.4	-175.4	65.9	0	0	0	111.8	L81	L77-L81 HydrophobicContact CD1-CD1 4.36Å; L77-L81 HydrophobicContact CD1-CG 4.28Å; L77-L81 HydrophobicContact CG-CD1 3.96Å; L77-L81 HydrophobicContact CG-CG 4.31Å; L77-L81 WeakPolarHBondContact O-CB 3.41Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 3.06Å
78	F	86.8	Confident	84.4	Confident	81 Å²	81	100.8 Å²	100.8	36%	0.355	48%	0.475	S	S	.	.	H	α-helix	trans	-65.7	-51.9	-177.4	-177.5	-98.3	0	0	0	111.6	D76 T80 L81 V82 F181 C185 V188	D76-F78 VanDerWaalsContact C-N 3.25Å; D76-F78 PolarHBondContact O-N 2.59Å; F78-T80 VanDerWaalsContact C-N 3.3Å; F78-T80 PolarHBondContact O-N 3.1Å; F78-L81 PolarHBondContact O-N 3.43Å; F78-V82 HydrophobicContact CD1-CG2 4.47Å; F78-V82 HydrophobicContact CE1-CG2 4.14Å; F78-V82 HydrophobicContact CE2-CG2 4.5Å; F78-V82 HydrophobicContact CZ-CG2 4.16Å; F78-V82 VanDerWaalsContact O-CG2 3.32Å; F78-V82 WeakPolarHBondContact O-CG2 3.31Å; F78-V82 PolarHBondContact O-N 3.39Å; F78-V82 VanDerWaalsContact O-N 3.11Å; F78-F181 AromaticContact CD2-CE2 3.95Å; F78-F181 HydrophobicContact CD2-CE2 3.95Å; F78-F181 HydrophobicContact CD2-CZ 4.42Å; F78-C185 HydrophobicContact CE2-CB 4.41Å; F78-V188 HydrophobicContact CZ-CB 4.36Å; F78-V188 HydrophobicContact CZ-CG2 4.05Å
79	T	86.8	Confident	85.3	Confident	59 Å²	59	93 Å²	93	36%	0.362	44%	0.439	S	S	.	.	H	α-helix	trans	-64.7	-39.4	178.4	63	0	0	0	0	111.1	D76 L81 V82 D83	D76-T79 PolarHBondContact O-OG1 3.24Å; D76-T79 WeakPolarHBondContact OD1-CG2 3.35Å; D76-T79 PolarHBondContact OD1-N 3.05Å; D76-T79 PolarHBondContact OD1-OG1 3.01Å; D76-T79 VanDerWaalsContact OD1-OG1 3.13Å; D76-T79 WeakPolarHBondContact OD2-CB 3.31Å; D76-T79 WeakPolarHBondContact OD2-CG2 3.36Å; D76-T79 PolarHBondContact OD2-OG1 3.16Å; T79-L81 PolarHBondContact O-N 3.1Å; T79-V82 PolarHBondContact O-N 3.3Å; T79-D83 WeakPolarHBondContact O-CB 3.41Å; T79-D83 PolarHBondContact O-N 3.18Å
80	T	88.1	Confident	86	Confident	42 Å²	42	94 Å²	94	26%	0.258	45%	0.446	S	S	.	.	H	α-helix	trans	-58.2	-47.3	176.9	-60.3	0	0	0	0	111.7	Y73 D76 F78 V82 D83 L84	Y73-T80 PolarHBondContact O-OG1 3.14Å; D76-T80 WeakPolarHBondContact O-CB 3.48Å; D76-T80 PolarHBondContact O-N 3.41Å; D76-T80 PolarHBondContact O-OG1 3.06Å; F78-T80 VanDerWaalsContact C-N 3.3Å; F78-T80 PolarHBondContact O-N 3.1Å; T80-V82 PolarHBondContact O-N 3.14Å; T80-D83 PolarHBondContact O-N 3.12Å; T80-L84 WeakPolarHBondContact O-CG 3.48Å; T80-L84 PolarHBondContact O-N 3.3Å; T80-L84 VanDerWaalsContact O-N 3.08Å
81	L	88.6	Confident	86.9	Confident	16 Å²	16	94.8 Å²	94.8	8%	0.084	45%	0.446	C	S	.	.	H	α-helix	trans	-62.9	-41.1	177.6	-75.6	172.2	0	0	0	112.5	L77 F78 T79 D83 L84 N89 V92 F181	L77-L81 HydrophobicContact CD1-CD1 4.36Å; L77-L81 HydrophobicContact CD1-CG 4.28Å; L77-L81 HydrophobicContact CG-CD1 3.96Å; L77-L81 HydrophobicContact CG-CG 4.31Å; L77-L81 WeakPolarHBondContact O-CB 3.41Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 3.06Å; F78-L81 PolarHBondContact O-N 3.43Å; T79-L81 PolarHBondContact O-N 3.1Å; L81-D83 VanDerWaalsContact C-N 3.34Å; L81-L84 HydrophobicContact CD2-CD1 4.16Å; L81-N89 PolarHBondContact O-ND2 2.94Å; L81-V92 HydrophobicContact CD2-CB 4.46Å; L81-V92 HydrophobicContact CD2-CG1 3.75Å; L81-F181 HydrophobicContact CD1-CE1 3.62Å; L81-F181 HydrophobicContact CD1-CZ 3.71Å
82	V	89	Confident	87.6	Confident	3 Å²	3	90.3 Å²	90.3	2%	0.018	43%	0.433	C	S	.	.	H	α-helix	trans	-66.8	-37.1	178.5	176.5	0	0	0	0	111	F78 T79 T80 V188 K189 Q192	F78-V82 HydrophobicContact CD1-CG2 4.47Å; F78-V82 HydrophobicContact CE1-CG2 4.14Å; F78-V82 HydrophobicContact CE2-CG2 4.5Å; F78-V82 HydrophobicContact CZ-CG2 4.16Å; F78-V82 VanDerWaalsContact O-CG2 3.32Å; F78-V82 WeakPolarHBondContact O-CG2 3.31Å; F78-V82 PolarHBondContact O-N 3.39Å; F78-V82 VanDerWaalsContact O-N 3.11Å; T79-V82 PolarHBondContact O-N 3.3Å; T80-V82 PolarHBondContact O-N 3.14Å; V82-V188 HydrophobicContact CG1-CG1 4.03Å; V82-V188 HydrophobicContact CG2-CG1 4.21Å; V82-K189 HydrophobicContact CG1-CB 4.29Å; V82-K189 PolarHBondContact O-NZ 3.26Å; V82-Q192 HydrophobicContact CG1-CG 4.43Å
83	D	86.8	Confident	88.2	Confident	99 Å²	99	86.3 Å²	86.3	53%	0.529	42%	0.419	S	S	.	.	H	α-helix	trans	-80.9	-16.7	-178.7	-83.7	-22.2	0	0	0	115	T79 T80 L81 K194	T79-D83 WeakPolarHBondContact O-CB 3.41Å; T79-D83 PolarHBondContact O-N 3.18Å; T80-D83 PolarHBondContact O-N 3.12Å; L81-D83 VanDerWaalsContact C-N 3.34Å; D83-K194 IonicContact OD1-NZ 2.78Å; D83-K194 PolarHBondContact OD1-NZ 2.86Å
84	L	88.3	Confident	89.1	Confident	55 Å²	55	83.8 Å²	83.8	29%	0.288	42%	0.418	S	S	.	.	S	Bend	trans	-54.3	148.3	172.6	-79	174.2	0	0	0	112.1	T80 L81 F88 V92 K189	T80-L84 WeakPolarHBondContact O-CG 3.48Å; T80-L84 PolarHBondContact O-N 3.3Å; T80-L84 VanDerWaalsContact O-N 3.08Å; L81-L84 HydrophobicContact CD2-CD1 4.16Å; L84-F88 HydrophobicContact CB-CB 4.28Å; L84-F88 HydrophobicContact CD1-CB 4.36Å; L84-F88 HydrophobicContact CD2-CB 4.22Å; L84-V92 HydrophobicContact CD1-CG2 4.49Å; L84-K189 WeakPolarHBondContact O-CE 3.36Å; L84-K189 PolarHBondContact O-NZ 2.81Å
85	K	90.3	Very high	90	Very high	156 Å²	156	83.1 Å²	83.1	68%	0.678	41%	0.413	S	S	*	.			trans	-60.8	149.9	172.5	-61.5	179.9	180	174.6	0	110	R87 F88 N89	K85-R87 PolarHBondContact O-N 3.08Å; K85-R87 VanDerWaalsContact O-N 3.08Å; K85-F88 HydrophobicContact CB-CD2 4.03Å; K85-F88 HydrophobicContact CD-CE2 4.48Å; K85-F88 PolarHBondContact O-N 3.02Å; K85-N89 PolarHBondContact O-N 2.95Å
86	W	90.3	Very high	90.6	Very high	114 Å²	114	80 Å²	80	43%	0.432	39%	0.389	S	S	.	.	H	α-helix	trans	-48.1	-40.9	179.8	-83.7	105.1	0	0	0	114.1	F88 N89 L90 M186 K189 I190	W86-F88 PolarHBondContact O-N 2.96Å; W86-N89 PolarHBondContact O-N 3.18Å; W86-L90 WeakPolarHBondContact O-CB 3.31Å; W86-L90 WeakPolarHBondContact O-CG 3.49Å; W86-L90 PolarHBondContact O-N 3.3Å; W86-M186 HydrophobicContact CZ3-SD 4.1Å; W86-K189 HydrophobicContact CD2-CD 4.31Å; W86-K189 HydrophobicContact CE3-CD 4.29Å; W86-K189 HydrophobicContact CH2-CD 4.07Å; W86-K189 HydrophobicContact CH2-CG 4.14Å; W86-K189 HydrophobicContact CZ2-CD 4.08Å; W86-K189 HydrophobicContact CZ2-CG 3.91Å; W86-K189 HydrophobicContact CZ3-CD 4.18Å; W86-I190 HydrophobicContact CH2-CD1 4.48Å; W86-I190 HydrophobicContact CH2-CG1 3.67Å; W86-I190 HydrophobicContact CZ2-CG1 4.22Å
87	R	93	Very high	91.1	Very high	220 Å²	220	77.8 Å²	77.8	83%	0.83	38%	0.376	S	S	*	.	H	α-helix	trans	-59.9	-44.7	177.9	-63.3	-176.8	-177.8	161.1	0.3	112.8	K85 L91	K85-R87 PolarHBondContact O-N 3.08Å; K85-R87 VanDerWaalsContact O-N 3.08Å; R87-L91 WeakPolarHBondContact O-CB 3.3Å; R87-L91 PolarHBondContact O-N 2.8Å; R87-L91 VanDerWaalsContact O-N 3.13Å
88	F	92.9	Very high	91.6	Very high	114 Å²	114	75.9 Å²	75.9	50%	0.5	37%	0.368	S	S	.	.	H	α-helix	trans	-74.2	-36.8	178.8	-65.2	-62.1	0	0	0	111.5	L84 K85 W86 L91 V92	L84-F88 HydrophobicContact CB-CB 4.28Å; L84-F88 HydrophobicContact CD1-CB 4.36Å; L84-F88 HydrophobicContact CD2-CB 4.22Å; K85-F88 HydrophobicContact CB-CD2 4.03Å; K85-F88 HydrophobicContact CD-CE2 4.48Å; K85-F88 PolarHBondContact O-N 3.02Å; W86-F88 PolarHBondContact O-N 2.96Å; F88-L91 WeakPolarHBondContact O-CB 3.41Å; F88-L91 PolarHBondContact O-N 3.46Å; F88-V92 VanDerWaalsContact O-CG2 3.3Å; F88-V92 WeakPolarHBondContact O-CG2 3.29Å; F88-V92 PolarHBondContact O-N 3.15Å
89	N	91.6	Very high	92.1	Very high	4 Å²	4	75.7 Å²	75.7	2%	0.021	37%	0.373	C	S	.	.	H	α-helix	trans	-64.5	-47.1	177.6	-167	-43.1	0	0	0	111.2	L81 K85 W86 L91 V92 F93 M186 K189	L81-N89 PolarHBondContact O-ND2 2.94Å; K85-N89 PolarHBondContact O-N 2.95Å; W86-N89 PolarHBondContact O-N 3.18Å; N89-L91 VanDerWaalsContact C-N 3.3Å; N89-L91 PolarHBondContact O-N 2.91Å; N89-V92 PolarHBondContact O-N 2.93Å; N89-F93 WeakPolarHBondContact O-CB 3.29Å; N89-F93 PolarHBondContact O-N 2.91Å; N89-M186 HydrophobicContact CB-CE 4.49Å; N89-M186 WeakPolarHBondContact OD1-CE 3.39Å; N89-K189 HydrophobicContact CB-CD 4.36Å; N89-K189 WeakPolarHBondContact ND2-CD 3.45Å
90	L	92.6	Very high	92.6	Very high	94 Å²	94	74 Å²	74	49%	0.492	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-40.1	174	-70.8	172.2	0	0	0	112.3	W86 F93 T94	W86-L90 WeakPolarHBondContact O-CB 3.31Å; W86-L90 WeakPolarHBondContact O-CG 3.49Å; W86-L90 PolarHBondContact O-N 3.3Å; L90-F93 PolarHBondContact O-N 2.71Å; L90-T94 PolarHBondContact O-N 2.65Å; L90-T94 PolarHBondContact O-OG1 2.79Å
91	L	94.6	Very high	93	Very high	113 Å²	113	74.5 Å²	74.5	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-61	-47	175	-178.4	71.7	0	0	0	111.7	R87 F88 N89 F93 T94 M95	R87-L91 WeakPolarHBondContact O-CB 3.3Å; R87-L91 PolarHBondContact O-N 2.8Å; R87-L91 VanDerWaalsContact O-N 3.13Å; F88-L91 WeakPolarHBondContact O-CB 3.41Å; F88-L91 PolarHBondContact O-N 3.46Å; N89-L91 VanDerWaalsContact C-N 3.3Å; N89-L91 PolarHBondContact O-N 2.91Å; L91-F93 VanDerWaalsContact C-N 3.35Å; L91-T94 PolarHBondContact O-N 2.91Å; L91-M95 VanDerWaalsContact O-CB 3.27Å; L91-M95 WeakPolarHBondContact O-CB 3.41Å; L91-M95 PolarHBondContact O-N 3.35Å
92	V	93.6	Very high	93.4	Very high	42 Å²	42	77.6 Å²	77.6	26%	0.255	38%	0.376	S	S	.	.	H	α-helix	trans	-63.5	-42.1	177.8	171.6	0	0	0	0	110.8	L81 L84 F88 N89 M95 V96	L81-V92 HydrophobicContact CD2-CB 4.46Å; L81-V92 HydrophobicContact CD2-CG1 3.75Å; L84-V92 HydrophobicContact CD1-CG2 4.49Å; F88-V92 VanDerWaalsContact O-CG2 3.3Å; F88-V92 WeakPolarHBondContact O-CG2 3.29Å; F88-V92 PolarHBondContact O-N 3.15Å; N89-V92 PolarHBondContact O-N 2.93Å; V92-M95 PolarHBondContact O-N 2.73Å; V92-V96 HydrophobicContact CG1-CG2 4.27Å; V92-V96 WeakPolarHBondContact O-CG2 3.44Å; V92-V96 PolarHBondContact O-N 3.36Å
93	F	93.1	Very high	93.8	Very high	60 Å²	60	83 Å²	83	26%	0.263	40%	0.4	S	S	.	.	H	α-helix	trans	-56.7	-54.8	175.9	-174.8	-84.6	0	0	0	110.7	N89 L90 L91 M95 V96 Y97 M182 M186	N89-F93 WeakPolarHBondContact O-CB 3.29Å; N89-F93 PolarHBondContact O-N 2.91Å; L90-F93 PolarHBondContact O-N 2.71Å; L91-F93 VanDerWaalsContact C-N 3.35Å; F93-M95 VanDerWaalsContact C-N 3.31Å; F93-M95 PolarHBondContact O-N 2.92Å; F93-V96 PolarHBondContact O-N 2.81Å; F93-Y97 AromaticContact CD1-CD2 3.88Å; F93-Y97 HydrophobicContact CD1-CD2 3.88Å; F93-Y97 AromaticContact CD1-CE2 3.92Å; F93-Y97 HydrophobicContact CD1-CE2 3.92Å; F93-Y97 AromaticContact CD2-CE2 3.99Å; F93-Y97 HydrophobicContact CD2-CE2 3.99Å; F93-Y97 AromaticContact CE1-CD2 3.67Å; F93-Y97 HydrophobicContact CE1-CD2 3.67Å; F93-Y97 AromaticContact CE1-CE2 3.44Å; F93-Y97 HydrophobicContact CE1-CE2 3.44Å; F93-Y97 VanDerWaalsContact CE1-CE2 3.44Å; F93-Y97 HydrophobicContact CE2-CD2 4.43Å; F93-Y97 AromaticContact CE2-CE2 3.54Å; F93-Y97 HydrophobicContact CE2-CE2 3.54Å; F93-Y97 HydrophobicContact CG-CD2 4.33Å; F93-Y97 HydrophobicContact CG-CE2 4.18Å; F93-Y97 AromaticContact CZ-CD2 3.98Å; F93-Y97 HydrophobicContact CZ-CD2 3.98Å; F93-Y97 AromaticContact CZ-CE2 3.24Å; F93-Y97 HydrophobicContact CZ-CE2 3.24Å; F93-Y97 AromaticContact CZ-CZ 3.97Å; F93-Y97 VanDerWaalsContact O-CD2 3.31Å; F93-Y97 WeakPolarHBondContact O-CD2 3.31Å; F93-Y97 PolarHBondContact O-N 3.17Å; F93-M182 HydrophobicContact CD2-CB 3.95Å; F93-M182 HydrophobicContact CD2-CG 4.34Å; F93-M182 HydrophobicContact CD2-SD 4.27Å; F93-M182 HydrophobicContact CE2-CB 3.77Å; F93-M186 HydrophobicContact CD2-CG 4.24Å; F93-M186 HydrophobicContact CE2-CG 4.16Å
94	T	94.7	Very high	94.3	Very high	84 Å²	84	78.7 Å²	78.7	52%	0.515	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-41	177.2	-57	0	0	0	0	112	L90 L91 T98	L90-T94 PolarHBondContact O-N 2.65Å; L90-T94 PolarHBondContact O-OG1 2.79Å; L91-T94 PolarHBondContact O-N 2.91Å; T94-T98 HydrophobicContact CG2-CG2 4.23Å; T94-T98 WeakPolarHBondContact O-CB 3.3Å; T94-T98 VanDerWaalsContact O-CG2 3.27Å; T94-T98 WeakPolarHBondContact O-CG2 3.48Å; T94-T98 PolarHBondContact O-N 2.79Å; T94-T98 PolarHBondContact O-OG1 3.48Å
95	M	95.8	Very high	94.7	Very high	119 Å²	119	76.1 Å²	76.1	59%	0.586	36%	0.363	S	S	*	.	H	α-helix	trans	-62.7	-43.5	179.1	-173.9	-176.5	177.5	0	0	111.8	L91 V92 F93 T98 V99	L91-M95 VanDerWaalsContact O-CB 3.27Å; L91-M95 WeakPolarHBondContact O-CB 3.41Å; L91-M95 PolarHBondContact O-N 3.35Å; V92-M95 PolarHBondContact O-N 2.73Å; F93-M95 VanDerWaalsContact C-N 3.31Å; F93-M95 PolarHBondContact O-N 2.92Å; M95-T98 WeakPolarHBondContact CA-OG1 3.47Å; M95-T98 PolarHBondContact O-N 2.77Å; M95-T98 PolarHBondContact O-OG1 3.23Å; M95-V99 HydrophobicContact CG-CG2 4.2Å; M95-V99 VanDerWaalsContact O-CB 3.3Å; M95-V99 WeakPolarHBondContact O-CB 3.49Å; M95-V99 WeakPolarHBondContact O-CG2 3.13Å; M95-V99 PolarHBondContact O-N 3.47Å
96	V	95.6	Very high	95	Very high	42 Å²	42	73.3 Å²	73.3	26%	0.255	35%	0.351	S	S	.	.	H	α-helix	trans	-66.3	-48.1	-178	171.1	0	0	0	0	111.5	V92 F93 T98 V99 T100 V178 M182	V92-V96 HydrophobicContact CG1-CG2 4.27Å; V92-V96 WeakPolarHBondContact O-CG2 3.44Å; V92-V96 PolarHBondContact O-N 3.36Å; F93-V96 PolarHBondContact O-N 2.81Å; V96-T98 PolarHBondContact O-N 2.64Å; V96-V99 PolarHBondContact O-N 2.78Å; V96-T100 HydrophobicContact CG1-CG2 4.47Å; V96-T100 WeakPolarHBondContact O-CG2 3.45Å; V96-T100 PolarHBondContact O-N 2.87Å; V96-T100 PolarHBondContact O-OG1 2.95Å; V96-V178 HydrophobicContact CG1-CG1 3.68Å; V96-M182 HydrophobicContact CB-CE 3.59Å; V96-M182 HydrophobicContact CG1-CE 3.59Å; V96-M182 HydrophobicContact CG2-CE 3.5Å; V96-M182 VanDerWaalsContact CG2-CE 3.5Å
97	Y	95.8	Very high	95.3	Very high	26 Å²	26	69.9 Å²	69.9	10%	0.102	34%	0.34	C	S	.	.	H	α-helix	trans	-62.5	-42.6	176.8	-77.3	-77.6	0	0	0	112.4	F93 V99 T100 W101 N179 M182	F93-Y97 AromaticContact CD1-CD2 3.88Å; F93-Y97 HydrophobicContact CD1-CD2 3.88Å; F93-Y97 AromaticContact CD1-CE2 3.92Å; F93-Y97 HydrophobicContact CD1-CE2 3.92Å; F93-Y97 AromaticContact CD2-CE2 3.99Å; F93-Y97 HydrophobicContact CD2-CE2 3.99Å; F93-Y97 AromaticContact CE1-CD2 3.67Å; F93-Y97 HydrophobicContact CE1-CD2 3.67Å; F93-Y97 AromaticContact CE1-CE2 3.44Å; F93-Y97 HydrophobicContact CE1-CE2 3.44Å; F93-Y97 VanDerWaalsContact CE1-CE2 3.44Å; F93-Y97 HydrophobicContact CE2-CD2 4.43Å; F93-Y97 AromaticContact CE2-CE2 3.54Å; F93-Y97 HydrophobicContact CE2-CE2 3.54Å; F93-Y97 HydrophobicContact CG-CD2 4.33Å; F93-Y97 HydrophobicContact CG-CE2 4.18Å; F93-Y97 AromaticContact CZ-CD2 3.98Å; F93-Y97 HydrophobicContact CZ-CD2 3.98Å; F93-Y97 AromaticContact CZ-CE2 3.24Å; F93-Y97 HydrophobicContact CZ-CE2 3.24Å; F93-Y97 AromaticContact CZ-CZ 3.97Å; F93-Y97 VanDerWaalsContact O-CD2 3.31Å; F93-Y97 WeakPolarHBondContact O-CD2 3.31Å; F93-Y97 PolarHBondContact O-N 3.17Å; Y97-V99 VanDerWaalsContact C-N 3.34Å; Y97-V99 PolarHBondContact O-N 2.97Å; Y97-T100 WeakPolarHBondContact CA-OG1 3.49Å; Y97-T100 PolarHBondContact O-N 2.84Å; Y97-T100 PolarHBondContact O-OG1 3.02Å; Y97-W101 AromaticContact CD1-CZ2 3.96Å; Y97-W101 HydrophobicContact CD1-CZ2 3.96Å; Y97-W101 HydrophobicContact CG-CZ2 4.21Å; Y97-W101 WeakPolarHBondContact O-CB 3.38Å; Y97-W101 PolarHBondContact O-N 3.28Å; Y97-N179 PolarHBondContact OH-OD1 2.91Å; Y97-M182 HydrophobicContact CE2-CB 4.13Å; Y97-M182 HydrophobicContact CE2-CG 4.15Å
98	T	95.7	Very high	95.5	Very high	50 Å²	50	59.5 Å²	59.5	31%	0.307	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-38.1	178.4	50.8	0	0	0	0	112.1	T94 M95 V96 W101 L102	T94-T98 HydrophobicContact CG2-CG2 4.23Å; T94-T98 WeakPolarHBondContact O-CB 3.3Å; T94-T98 VanDerWaalsContact O-CG2 3.27Å; T94-T98 WeakPolarHBondContact O-CG2 3.48Å; T94-T98 PolarHBondContact O-N 2.79Å; T94-T98 PolarHBondContact O-OG1 3.48Å; M95-T98 WeakPolarHBondContact CA-OG1 3.47Å; M95-T98 PolarHBondContact O-N 2.77Å; M95-T98 PolarHBondContact O-OG1 3.23Å; V96-T98 PolarHBondContact O-N 2.64Å; T98-W101 HydrophobicContact CG2-CE3 4.43Å; T98-W101 HydrophobicContact CG2-CZ3 4.45Å; T98-L102 VanDerWaalsContact O-CB 3.31Å; T98-L102 WeakPolarHBondContact O-CB 3.4Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 3.4Å
99	V	97.1	Very high	95.6	Very high	77 Å²	77	57.5 Å²	57.5	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-67.9	-41.6	175.8	169.8	0	0	0	0	111.5	M95 V96 Y97 L102 F103	M95-V99 HydrophobicContact CG-CG2 4.2Å; M95-V99 VanDerWaalsContact O-CB 3.3Å; M95-V99 WeakPolarHBondContact O-CB 3.49Å; M95-V99 WeakPolarHBondContact O-CG2 3.13Å; M95-V99 PolarHBondContact O-N 3.47Å; V96-V99 PolarHBondContact O-N 2.78Å; Y97-V99 VanDerWaalsContact C-N 3.34Å; Y97-V99 PolarHBondContact O-N 2.97Å; V99-L102 PolarHBondContact O-N 3.35Å; V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 2.72Å
100	T	96.3	Very high	95.8	Very high	23 Å²	23	60.3 Å²	60.3	14%	0.141	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-45.9	176.4	53.9	0	0	0	0	111.2	V96 Y97 L102 F103 F104 E147 V178	V96-T100 HydrophobicContact CG1-CG2 4.47Å; V96-T100 WeakPolarHBondContact O-CG2 3.45Å; V96-T100 PolarHBondContact O-N 2.87Å; V96-T100 PolarHBondContact O-OG1 2.95Å; Y97-T100 WeakPolarHBondContact CA-OG1 3.49Å; Y97-T100 PolarHBondContact O-N 2.84Å; Y97-T100 PolarHBondContact O-OG1 3.02Å; T100-L102 PolarHBondContact O-N 2.85Å; T100-F103 PolarHBondContact O-N 2.73Å; T100-F104 WeakPolarHBondContact O-CD2 3.49Å; T100-F104 PolarHBondContact O-N 3.5Å; T100-E147 WeakPolarHBondContact CB-OE1 3.31Å; T100-E147 PolarHBondContact OG1-OE1 3.31Å; T100-V178 HydrophobicContact CG2-CG1 4.47Å; T100-V178 HydrophobicContact CG2-CG2 4.41Å
101	W	97	Very high	95.9	Very high	53 Å²	53	56.7 Å²	56.7	20%	0.201	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-40	176.8	-59.8	-20.9	0	0	0	113.1	Y97 T98 G105 F140 S143 I144 E147 T148	Y97-W101 AromaticContact CD1-CZ2 3.96Å; Y97-W101 HydrophobicContact CD1-CZ2 3.96Å; Y97-W101 HydrophobicContact CG-CZ2 4.21Å; Y97-W101 WeakPolarHBondContact O-CB 3.38Å; Y97-W101 PolarHBondContact O-N 3.28Å; T98-W101 HydrophobicContact CG2-CE3 4.43Å; T98-W101 HydrophobicContact CG2-CZ3 4.45Å; W101-G105 WeakPolarHBondContact O-CA 3.48Å; W101-G105 PolarHBondContact O-N 2.84Å; W101-F140 HydrophobicContact CB-CD2 4.32Å; W101-F140 HydrophobicContact CB-CE2 3.62Å; W101-F140 HydrophobicContact CB-CZ 4.35Å; W101-S143 PolarHBondContact O-OG 2.8Å; W101-I144 HydrophobicContact CB-CG1 3.96Å; W101-I144 HydrophobicContact CD2-CD1 4.38Å; W101-I144 HydrophobicContact CD2-CG1 3.72Å; W101-I144 HydrophobicContact CE3-CD1 4.08Å; W101-I144 HydrophobicContact CE3-CG1 3.94Å; W101-I144 HydrophobicContact CG-CG1 3.73Å; W101-E147 VanDerWaalsContact CD1-CD 3.45Å; W101-E147 VanDerWaalsContact CD1-OE1 3.28Å; W101-E147 PolarHBondContact NE1-OE1 3.38Å; W101-T148 HydrophobicContact CZ2-CG2 3.73Å
102	L	97.1	Very high	95.8	Very high	82 Å²	82	51.5 Å²	51.5	43%	0.429	26%	0.259	S	S	.	.	H	α-helix	trans	-68.8	-40.4	176	-75.6	170.9	0	0	0	111.7	T98 V99 T100 F106 F136 F140	T98-L102 VanDerWaalsContact O-CB 3.31Å; T98-L102 WeakPolarHBondContact O-CB 3.4Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 3.4Å; V99-L102 PolarHBondContact O-N 3.35Å; T100-L102 PolarHBondContact O-N 2.85Å; L102-F106 VanDerWaalsContact O-CB 3.26Å; L102-F106 WeakPolarHBondContact O-CB 3.46Å; L102-F106 PolarHBondContact O-N 3.08Å; L102-F136 HydrophobicContact CD2-CE1 4.44Å; L102-F136 HydrophobicContact CD2-CZ 4.15Å; L102-F140 HydrophobicContact CD2-CD2 3.79Å; L102-F140 HydrophobicContact CD2-CE2 3.67Å; L102-F140 HydrophobicContact CD2-CZ 4.44Å; L102-F140 HydrophobicContact CG-CD2 4.33Å; L102-F140 HydrophobicContact CG-CE2 3.86Å
103	F	97.3	Very high	95.8	Very high	116 Å²	116	55.9 Å²	55.9	51%	0.509	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-52.7	178.3	175.3	-104.1	0	0	0	111.3	V99 T100 F106 I107	V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 2.72Å; T100-F103 PolarHBondContact O-N 2.73Å; F103-F106 PolarHBondContact O-N 3.2Å; F103-I107 HydrophobicContact CD1-CD1 4.03Å; F103-I107 HydrophobicContact CD2-CD1 4.5Å; F103-I107 HydrophobicContact CE1-CD1 3.52Å; F103-I107 HydrophobicContact CE2-CD1 4.03Å; F103-I107 HydrophobicContact CZ-CD1 3.53Å; F103-I107 WeakPolarHBondContact O-CG1 3.41Å; F103-I107 PolarHBondContact O-N 2.71Å; F103-I107 VanDerWaalsContact O-N 3.08Å
104	F	96.9	Very high	95.8	Very high	9 Å²	9	58.9 Å²	58.9	4%	0.039	29%	0.29	C	S	.	.	H	α-helix	trans	-68.5	-38.6	177.5	-79	-70.7	0	0	0	112.3	T100 F106 I107 W108 S143 L167 Q171 L174	T100-F104 WeakPolarHBondContact O-CD2 3.49Å; T100-F104 PolarHBondContact O-N 3.5Å; F104-F106 VanDerWaalsContact C-N 3.28Å; F104-F106 PolarHBondContact O-N 3.42Å; F104-I107 PolarHBondContact O-N 3.04Å; F104-I107 VanDerWaalsContact O-N 3.13Å; F104-W108 PolarHBondContact O-N 2.8Å; F104-S143 WeakPolarHBondContact CB-OG 3.46Å; F104-L167 HydrophobicContact CD1-CD1 3.89Å; F104-L167 HydrophobicContact CE1-CD1 3.96Å; F104-Q171 HydrophobicContact CB-CG 4.36Å; F104-Q171 HydrophobicContact CD1-CB 3.72Å; F104-Q171 HydrophobicContact CD1-CG 3.75Å; F104-Q171 HydrophobicContact CD2-CG 3.91Å; F104-Q171 HydrophobicContact CE1-CB 3.56Å; F104-Q171 HydrophobicContact CE1-CG 3.95Å; F104-Q171 HydrophobicContact CE2-CB 4.44Å; F104-Q171 HydrophobicContact CE2-CG 4.1Å; F104-Q171 HydrophobicContact CG-CB 4.25Å; F104-Q171 HydrophobicContact CG-CG 3.75Å; F104-Q171 HydrophobicContact CZ-CB 3.95Å; F104-Q171 HydrophobicContact CZ-CG 4.12Å; F104-L174 HydrophobicContact CZ-CB 4.32Å; F104-L174 HydrophobicContact CZ-CD1 4.02Å
105	G	96.8	Very high	95.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-38	173.8	0	0	0	0	0	112.9	W101 W109 A139 S143	W101-G105 WeakPolarHBondContact O-CA 3.48Å; W101-G105 PolarHBondContact O-N 2.84Å; G105-W109 WeakPolarHBondContact O-CB 3.29Å; G105-W109 PolarHBondContact O-N 3.12Å; G105-A139 WeakPolarHBondContact O-CB 3.42Å; G105-S143 PolarHBondContact N-OG 3.41Å
106	F	97.2	Very high	95.3	Very high	98 Å²	98	53.9 Å²	53.9	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-43	172.9	177.9	-101.1	0	0	0	112.3	L102 F103 F104 W109 L110 F136	L102-F106 VanDerWaalsContact O-CB 3.26Å; L102-F106 WeakPolarHBondContact O-CB 3.46Å; L102-F106 PolarHBondContact O-N 3.08Å; F103-F106 PolarHBondContact O-N 3.2Å; F104-F106 VanDerWaalsContact C-N 3.28Å; F104-F106 PolarHBondContact O-N 3.42Å; F106-W109 HydrophobicContact CD2-CE3 4.17Å; F106-W109 HydrophobicContact CE2-CE3 4.03Å; F106-W109 HydrophobicContact CE2-CZ3 4.02Å; F106-W109 PolarHBondContact O-N 3.18Å; F106-L110 HydrophobicContact CE1-CD2 4.31Å; F106-L110 VanDerWaalsContact O-CB 3.29Å; F106-L110 WeakPolarHBondContact O-CB 3.43Å; F106-L110 PolarHBondContact O-N 2.78Å; F106-F136 HydrophobicContact CB-CE2 4.13Å; F106-F136 HydrophobicContact CD2-CE2 4.4Å
107	I	96.8	Very high	94.9	Very high	42 Å²	42	52.4 Å²	52.4	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-41.7	177.4	-60.2	170.8	0	0	0	110.8	F103 F104 W109 L110 I111 L167	F103-I107 HydrophobicContact CD1-CD1 4.03Å; F103-I107 HydrophobicContact CD2-CD1 4.5Å; F103-I107 HydrophobicContact CE1-CD1 3.52Å; F103-I107 HydrophobicContact CE2-CD1 4.03Å; F103-I107 HydrophobicContact CZ-CD1 3.53Å; F103-I107 WeakPolarHBondContact O-CG1 3.41Å; F103-I107 PolarHBondContact O-N 2.71Å; F103-I107 VanDerWaalsContact O-N 3.08Å; F104-I107 PolarHBondContact O-N 3.04Å; F104-I107 VanDerWaalsContact O-N 3.13Å; I107-W109 VanDerWaalsContact C-N 3.34Å; I107-W109 PolarHBondContact O-N 2.76Å; I107-L110 WeakPolarHBondContact O-CB 3.43Å; I107-L110 PolarHBondContact O-N 2.77Å; I107-L110 VanDerWaalsContact O-N 3.17Å; I107-I111 HydrophobicContact CG2-CD1 4.24Å; I107-I111 HydrophobicContact CG2-CG1 4.44Å; I107-I111 WeakPolarHBondContact O-CG1 3.47Å; I107-I111 PolarHBondContact O-N 2.74Å; I107-L167 HydrophobicContact CB-CD1 4.39Å; I107-L167 HydrophobicContact CB-CD2 4.16Å; I107-L167 HydrophobicContact CD1-CD1 4.49Å; I107-L167 HydrophobicContact CG2-CD1 3.78Å; I107-L167 HydrophobicContact CG2-CD2 3.59Å; I107-L167 HydrophobicContact CG2-CG 4.35Å
108	W	96.2	Very high	94.5	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-45.3	174.5	-82.5	114.4	0	0	0	112.4	F104 L110 I111 A112 V130 A139 F142 I157 G164 L167 L168	F104-W108 PolarHBondContact O-N 2.8Å; W108-L110 VanDerWaalsContact C-N 3.32Å; W108-L110 PolarHBondContact O-N 2.8Å; W108-I111 PolarHBondContact O-N 3.19Å; W108-A112 PolarHBondContact O-N 3.32Å; W108-A112 VanDerWaalsContact O-N 3.08Å; W108-V130 HydrophobicContact CE3-CG2 3.8Å; W108-V130 HydrophobicContact CH2-CG2 4.45Å; W108-V130 HydrophobicContact CZ3-CG2 3.64Å; W108-A139 HydrophobicContact CB-CB 4.2Å; W108-F142 AromaticContact CD2-CD1 3.9Å; W108-F142 HydrophobicContact CD2-CD1 3.9Å; W108-F142 AromaticContact CD2-CE1 3.77Å; W108-F142 HydrophobicContact CD2-CE1 3.77Å; W108-F142 AromaticContact CE2-CD1 4Å; W108-F142 AromaticContact CE2-CE1 3.61Å; W108-F142 HydrophobicContact CE3-CD1 4.36Å; W108-F142 HydrophobicContact CE3-CE1 4Å; W108-F142 HydrophobicContact CG-CD1 4.07Å; W108-F142 HydrophobicContact CG-CE1 4.41Å; W108-F142 AromaticContact CH2-CE1 3.94Å; W108-F142 HydrophobicContact CH2-CE1 3.94Å; W108-F142 AromaticContact CZ2-CE1 3.72Å; W108-F142 HydrophobicContact CZ2-CE1 3.72Å; W108-F142 HydrophobicContact CZ3-CE1 4.08Å; W108-I157 HydrophobicContact CH2-CD1 3.86Å; W108-I157 HydrophobicContact CZ3-CD1 4.5Å; W108-G164 VanDerWaalsContact CH2-O 3.23Å; W108-G164 WeakPolarHBondContact CH2-O 3.31Å; W108-L167 HydrophobicContact CD2-CD2 3.59Å; W108-L167 HydrophobicContact CE3-CD2 4.02Å; W108-L167 HydrophobicContact CG-CD2 3.95Å; W108-L167 HydrophobicContact CH2-CB 4.43Å; W108-L167 HydrophobicContact CH2-CD2 4.3Å; W108-L167 HydrophobicContact CZ2-CB 4.27Å; W108-L167 HydrophobicContact CZ2-CD2 3.9Å; W108-L167 HydrophobicContact CZ2-CG 4.04Å; W108-L167 HydrophobicContact CZ3-CD2 4.36Å; W108-L168 HydrophobicContact CH2-CB 4.41Å; W108-L168 HydrophobicContact CZ2-CB 4.23Å
109	W	95.8	Very high	94	Very high	72 Å²	72	56.5 Å²	56.5	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-40.4	174.9	178.6	74.1	0	0	0	111.9	G105 F106 I107 A112 Y113 F136 A139	G105-W109 WeakPolarHBondContact O-CB 3.29Å; G105-W109 PolarHBondContact O-N 3.12Å; F106-W109 HydrophobicContact CD2-CE3 4.17Å; F106-W109 HydrophobicContact CE2-CE3 4.03Å; F106-W109 HydrophobicContact CE2-CZ3 4.02Å; F106-W109 PolarHBondContact O-N 3.18Å; I107-W109 VanDerWaalsContact C-N 3.34Å; I107-W109 PolarHBondContact O-N 2.76Å; W109-A112 PolarHBondContact O-N 2.81Å; W109-Y113 WeakPolarHBondContact O-CB 3.47Å; W109-Y113 PolarHBondContact O-N 2.89Å; W109-F136 HydrophobicContact CB-CD2 4.04Å; W109-F136 HydrophobicContact CD2-CD2 4.41Å; W109-F136 HydrophobicContact CG-CB 4.24Å; W109-F136 HydrophobicContact CG-CD2 4.06Å; W109-A139 HydrophobicContact CB-CB 3.77Å
110	L	95.6	Very high	93.4	Very high	62 Å²	62	56.7 Å²	56.7	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-65.4	-41.6	178.7	-177.2	63.6	0	0	0	112.1	F106 I107 W108 Y113 I114	F106-L110 HydrophobicContact CE1-CD2 4.31Å; F106-L110 VanDerWaalsContact O-CB 3.29Å; F106-L110 WeakPolarHBondContact O-CB 3.43Å; F106-L110 PolarHBondContact O-N 2.78Å; I107-L110 WeakPolarHBondContact O-CB 3.43Å; I107-L110 PolarHBondContact O-N 2.77Å; I107-L110 VanDerWaalsContact O-N 3.17Å; W108-L110 VanDerWaalsContact C-N 3.32Å; W108-L110 PolarHBondContact O-N 2.8Å; L110-Y113 PolarHBondContact O-N 3.04Å; L110-I114 HydrophobicContact CD1-CD1 3.91Å; L110-I114 HydrophobicContact CD1-CG1 4.16Å; L110-I114 HydrophobicContact CD2-CD1 4.47Å; L110-I114 HydrophobicContact CG-CD1 3.8Å; L110-I114 HydrophobicContact CG-CG1 4.42Å; L110-I114 VanDerWaalsContact O-CG1 3.31Å; L110-I114 WeakPolarHBondContact O-CG1 3.5Å; L110-I114 PolarHBondContact O-N 3.21Å
111	I	94.2	Very high	92.6	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.097	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-47.5	174.7	-69.6	177.4	0	0	0	110.1	I107 W108 Y113 I114 R115 E163 L167	I107-I111 HydrophobicContact CG2-CD1 4.24Å; I107-I111 HydrophobicContact CG2-CG1 4.44Å; I107-I111 WeakPolarHBondContact O-CG1 3.47Å; I107-I111 PolarHBondContact O-N 2.74Å; W108-I111 PolarHBondContact O-N 3.19Å; I111-Y113 VanDerWaalsContact C-N 3.26Å; I111-Y113 PolarHBondContact O-N 3.46Å; I111-I114 PolarHBondContact O-N 2.8Å; I111-R115 VanDerWaalsContact O-CB 3.23Å; I111-R115 WeakPolarHBondContact O-CB 3.35Å; I111-R115 PolarHBondContact O-N 3.24Å; I111-E163 HydrophobicContact CD1-CB 4.45Å; I111-L167 HydrophobicContact CD1-CB 4.24Å; I111-L167 HydrophobicContact CD1-CD2 3.58Å
112	A	92.9	Very high	91.4	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-37.5	177.2	0	0	0	0	0	112	W108 W109 G116 D117 L118 L133	W108-A112 PolarHBondContact O-N 3.32Å; W108-A112 VanDerWaalsContact O-N 3.08Å; W109-A112 PolarHBondContact O-N 2.81Å; A112-G116 PolarHBondContact O-N 2.81Å; A112-D117 HydrophobicContact CB-CB 4.22Å; A112-D117 WeakPolarHBondContact O-CB 3.38Å; A112-D117 PolarHBondContact O-N 2.8Å; A112-L118 HydrophobicContact CB-CG 4.31Å; A112-L133 HydrophobicContact CB-CD1 4.46Å; A112-L133 HydrophobicContact CB-CD2 4.02Å
113	Y	93.2	Very high	90.8	Very high	134 Å²	134	61.2 Å²	61.2	53%	0.525	32%	0.315	S	S	.	.	H	α-helix	trans	-68.8	-50.2	177	-178.4	-105	0	0	0	112.8	W109 L110 I111 R115 G116 L118	W109-Y113 WeakPolarHBondContact O-CB 3.47Å; W109-Y113 PolarHBondContact O-N 2.89Å; L110-Y113 PolarHBondContact O-N 3.04Å; I111-Y113 VanDerWaalsContact C-N 3.26Å; I111-Y113 PolarHBondContact O-N 3.46Å; Y113-R115 VanDerWaalsContact C-N 3.25Å; Y113-R115 PolarHBondContact O-N 3.02Å; Y113-G116 PolarHBondContact O-N 3.35Å; Y113-G116 VanDerWaalsContact O-N 3.1Å; Y113-L118 HydrophobicContact CD2-CD1 4.16Å
114	I	92.9	Very high	89.8	Confident	123 Å²	123	65.3 Å²	65.3	63%	0.631	34%	0.336	S	S	*	.	H	α-helix	trans	-62.8	-35.7	-179.3	-68.9	169.5	0	0	0	111.2	L110 I111 G116	L110-I114 HydrophobicContact CD1-CD1 3.91Å; L110-I114 HydrophobicContact CD1-CG1 4.16Å; L110-I114 HydrophobicContact CD2-CD1 4.47Å; L110-I114 HydrophobicContact CG-CD1 3.8Å; L110-I114 HydrophobicContact CG-CG1 4.42Å; L110-I114 VanDerWaalsContact O-CG1 3.31Å; L110-I114 WeakPolarHBondContact O-CG1 3.5Å; L110-I114 PolarHBondContact O-N 3.21Å; I111-I114 PolarHBondContact O-N 2.8Å; I114-G116 VanDerWaalsContact C-N 3.28Å; I114-G116 PolarHBondContact O-N 2.76Å
115	R	89.4	Confident	89.1	Confident	86 Å²	86	74.1 Å²	74.1	33%	0.325	38%	0.377	S	S	.	.	H	α-helix	trans	-74.6	-17.7	178.7	-170.1	174.8	173.3	95.4	-2.3	113.3	I111 Y113 D117 W126 K160	I111-R115 VanDerWaalsContact O-CB 3.23Å; I111-R115 WeakPolarHBondContact O-CB 3.35Å; I111-R115 PolarHBondContact O-N 3.24Å; Y113-R115 VanDerWaalsContact C-N 3.25Å; Y113-R115 PolarHBondContact O-N 3.02Å; R115-D117 WeakPolarHBondContact CD-OD1 3.37Å; R115-D117 WeakPolarHBondContact CG-OD1 3.43Å; R115-D117 IonicContact NE-OD1 3.29Å; R115-W126 HydrophobicContact CG-CZ2 4.15Å; R115-K160 PolarHBondContact NH1-O 2.98Å; R115-K160 PolarHBondContact NH2-O 3.41Å
116	G	90.5	Very high	88.6	Confident	12 Å²	12	78.6 Å²	78.6	12%	0.124	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	18	-174.2	0	0	0	0	0	113.8	A112 Y113 I114 L118 D119 H120	A112-G116 PolarHBondContact O-N 2.81Å; Y113-G116 PolarHBondContact O-N 3.35Å; Y113-G116 VanDerWaalsContact O-N 3.1Å; I114-G116 VanDerWaalsContact C-N 3.28Å; I114-G116 PolarHBondContact O-N 2.76Å; G116-L118 PolarHBondContact O-N 2.8Å; G116-D119 PolarHBondContact O-N 3.33Å; G116-H120 PolarHBondContact O-ND1 2.85Å
117	D	88.7	Confident	88.2	Confident	10 Å²	10	77.8 Å²	77.8	5%	0.053	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.6	178.1	-70.8	-16.1	0	0	0	111.4	A112 R115 D119 W126 P128 C129	A112-D117 HydrophobicContact CB-CB 4.22Å; A112-D117 WeakPolarHBondContact O-CB 3.38Å; A112-D117 PolarHBondContact O-N 2.8Å; R115-D117 WeakPolarHBondContact CD-OD1 3.37Å; R115-D117 WeakPolarHBondContact CG-OD1 3.43Å; R115-D117 IonicContact NE-OD1 3.29Å; D117-D119 VanDerWaalsContact C-N 3.33Å; D117-W126 PolarHBondContact OD1-NE1 2.7Å; D117-P128 HydrophobicContact CB-CB 4.08Å; D117-C129 VanDerWaalsContact OD2-CB 3.3Å; D117-C129 WeakPolarHBondContact OD2-CB 3.29Å; D117-C129 PolarHBondContact OD2-N 3.18Å
118	L	86.6	Confident	87.9	Confident	35 Å²	35	77.4 Å²	77.4	18%	0.183	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.2	178.7	-66.7	172.2	0	0	0	113.5	A112 Y113 G116 V121 L133	A112-L118 HydrophobicContact CB-CG 4.31Å; Y113-L118 HydrophobicContact CD2-CD1 4.16Å; G116-L118 PolarHBondContact O-N 2.8Å; L118-V121 VanDerWaalsContact O-CG2 3.28Å; L118-V121 WeakPolarHBondContact O-CG2 3.47Å; L118-L133 HydrophobicContact CD2-CD2 3.98Å
119	D	86.3	Confident	87.7	Confident	128 Å²	128	77.4 Å²	77.4	68%	0.684	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-24.3	-178.9	-64.5	-33.1	0	0	0	112.2	G116 D117	G116-D119 PolarHBondContact O-N 3.33Å; D117-D119 VanDerWaalsContact C-N 3.33Å
120	H	84.2	Confident	87.5	Confident	80 Å²	80	74.1 Å²	74.1	37%	0.37	38%	0.382	S	S	.	.	S	Bend	trans	-102.5	27.9	-178.7	-59.3	89.2	0	0	0	112.5	G116 G122 D123 W126	G116-H120 PolarHBondContact O-ND1 2.85Å; H120-G122 PolarHBondContact O-N 3.01Å; H120-G122 VanDerWaalsContact O-N 3.08Å; H120-D123 WeakPolarHBondContact CA-OD2 3.43Å; H120-D123 HydrophobicContact CB-CB 4.3Å; H120-D123 WeakPolarHBondContact CB-OD2 3.11Å; H120-D123 IonicContact CD2-OD2 3.54Å; H120-D123 PolarHBondContact CD2-OD2 3.06Å; H120-D123 VanDerWaalsContact CD2-OD2 3.29Å; H120-D123 IonicContact CG-OD2 3.71Å; H120-D123 PolarHBondContact O-N 2.76Å; H120-D123 VanDerWaalsContact O-N 3.16Å; H120-W126 HydrophobicContact CB-CB 3.99Å; H120-W126 HydrophobicContact CB-CG 3.91Å
121	V	78.7	Confident	87.3	Confident	91 Å²	91	75.4 Å²	75.4	55%	0.552	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	109.7	-178.1	176.1	0	0	0	0	109.9	L118	L118-V121 VanDerWaalsContact O-CG2 3.28Å; L118-V121 WeakPolarHBondContact O-CG2 3.47Å
122	G	73.1	Confident	87.1	Confident	74 Å²	74	78.6 Å²	78.6	76%	0.763	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.2	-2.7	-179.4	0	0	0	0	0	114.6	H120	H120-G122 PolarHBondContact O-N 3.01Å; H120-G122 VanDerWaalsContact O-N 3.08Å
123	D	82.9	Confident	87	Confident	89 Å²	89	79.2 Å²	79.2	48%	0.476	41%	0.406	S	S	.	.			trans	-77.4	124.7	174.5	-70.1	-26.8	0	0	0	110.9	H120 E125 W126	H120-D123 WeakPolarHBondContact CA-OD2 3.43Å; H120-D123 HydrophobicContact CB-CB 4.3Å; H120-D123 WeakPolarHBondContact CB-OD2 3.11Å; H120-D123 IonicContact CD2-OD2 3.54Å; H120-D123 PolarHBondContact CD2-OD2 3.06Å; H120-D123 VanDerWaalsContact CD2-OD2 3.29Å; H120-D123 IonicContact CG-OD2 3.71Å; H120-D123 PolarHBondContact O-N 2.76Å; H120-D123 VanDerWaalsContact O-N 3.16Å; D123-E125 VanDerWaalsContact C-N 3.28Å; D123-E125 PolarHBondContact O-N 3.5Å; D123-W126 HydrophobicContact CB-CB 4.35Å
124	Q	76.6	Confident	86.7	Confident	201 Å²	201	77.3 Å²	77.3	94%	0.939	41%	0.412	S	S	*	.	S	Bend	trans	-74.1	-16.2	-178.8	-67.4	-161.9	-12.3	0	0	113.9
125	E	82.7	Confident	86.6	Confident	195 Å²	195	72.3 Å²	72.3	91%	0.911	39%	0.391	S	S	*	.	S	Bend	trans	-89.4	-20.3	180	-67.6	-171	162.9	0	0	113.2	D123	D123-E125 VanDerWaalsContact C-N 3.28Å; D123-E125 PolarHBondContact O-N 3.5Å
126	W	86.8	Confident	86.8	Confident	94 Å²	94	72 Å²	72	36%	0.356	39%	0.393	S	S	.	.			trans	-94.5	127.5	-179.2	-173.2	-96.9	0	0	0	111.3	R115 D117 H120 D123 P128	R115-W126 HydrophobicContact CG-CZ2 4.15Å; D117-W126 PolarHBondContact OD1-NE1 2.7Å; H120-W126 HydrophobicContact CB-CB 3.99Å; H120-W126 HydrophobicContact CB-CG 3.91Å; D123-W126 HydrophobicContact CB-CB 4.35Å; W126-P128 WeakPolarHBondContact O-CD 3.19Å
127	I	87.7	Confident	87.1	Confident	81 Å²	81	76.4 Å²	76.4	42%	0.415	42%	0.417	S	S	.	.			trans	-102.8	107.5	175.1	-60.9	167.5	0	0	0	107.6	T158 K160	I127-T158 HydrophobicContact CG2-CG2 3.87Å; I127-K160 HydrophobicContact CB-CG 4.09Å; I127-K160 HydrophobicContact CG2-CG 3.79Å
128	P	91	Very high	87.3	Confident	33 Å²	33	76.2 Å²	76.2	21%	0.214	42%	0.416	C	S	.	.			trans	-70.6	163.9	-178.9	31.4	-36.4	0	0	0	111.3	D117 W126 V130 T158	D117-P128 HydrophobicContact CB-CB 4.08Å; W126-P128 WeakPolarHBondContact O-CD 3.19Å; P128-V130 VanDerWaalsContact C-N 3.32Å; P128-V130 PolarHBondContact O-N 2.8Å; P128-T158 VanDerWaalsContact O-CG2 3.3Å; P128-T158 WeakPolarHBondContact O-CG2 3.41Å; P128-T158 PolarHBondContact O-OG1 3.1Å
129	C	91.3	Very high	87.7	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.014	41%	0.407	C	S	.	.	S	Bend	trans	-63.6	-40	175.3	-175.1	0	0	0	0	112.3	D117 I157 T158 C161	D117-C129 VanDerWaalsContact OD2-CB 3.3Å; D117-C129 WeakPolarHBondContact OD2-CB 3.29Å; D117-C129 PolarHBondContact OD2-N 3.18Å; C129-I157 WeakPolarHBondContact O-CA 3.29Å; C129-T158 PolarHBondContact O-N 2.84Å; C129-C161 WeakPolarHBondContact CA-SG 3.33Å; C129-C161 HydrophobicContact CB-CB 3.6Å; C129-C161 WeakPolarHBondContact CB-SG 3.16Å; C129-C161 WeakPolarHBondContact SG-CB 3.25Å; C129-C161 CovalentContact SG-SG 2.03Å; C129-C161 PolarHBondContact SG-SG 2.78Å
130	V	93.2	Very high	88.2	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.024	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-129.3	125.2	173.8	-178.6	0	0	0	0	108.4	W108 P128 L133 F142 R155 V156	W108-V130 HydrophobicContact CE3-CG2 3.8Å; W108-V130 HydrophobicContact CH2-CG2 4.45Å; W108-V130 HydrophobicContact CZ3-CG2 3.64Å; P128-V130 VanDerWaalsContact C-N 3.32Å; P128-V130 PolarHBondContact O-N 2.8Å; V130-L133 HydrophobicContact CB-CB 4.37Å; V130-L133 HydrophobicContact CB-CD1 3.93Å; V130-L133 HydrophobicContact CG1-CB 4.48Å; V130-L133 HydrophobicContact CG1-CD1 4.25Å; V130-L133 HydrophobicContact CG2-CD1 4.42Å; V130-F142 HydrophobicContact CB-CE1 4.47Å; V130-F142 HydrophobicContact CG1-CD1 4.05Å; V130-F142 HydrophobicContact CG1-CD2 3.92Å; V130-F142 HydrophobicContact CG1-CE1 3.99Å; V130-F142 HydrophobicContact CG1-CE2 3.86Å; V130-F142 HydrophobicContact CG1-CG 4.01Å; V130-F142 HydrophobicContact CG1-CZ 3.89Å; V130-F142 HydrophobicContact CG2-CD1 4.13Å; V130-F142 HydrophobicContact CG2-CE1 3.6Å; V130-F142 HydrophobicContact CG2-CZ 3.93Å; V130-R155 HydrophobicContact CG1-CB 4.15Å; V130-V156 WeakPolarHBondContact CA-O 3.37Å
131	E	91.4	Very high	88.7	Confident	89 Å²	89	70.5 Å²	70.5	42%	0.416	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	146.6	177.9	-64.6	-174.6	170.6	0	0	111.5	L133 V156 T158	E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 PolarHBondContact O-N 2.89Å; E131-V156 PolarHBondContact N-O 2.95Å; E131-T158 HydrophobicContact CG-CG2 4.07Å
132	N	89.9	Confident	89.6	Confident	86 Å²	86	66.6 Å²	66.6	46%	0.46	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	32.4	177.1	-57.2	-55.2	0	0	0	114.9	F154 R155	N132-F154 HydrophobicContact CB-CD1 4.09Å; N132-F154 HydrophobicContact CB-CE1 3.58Å; N132-F154 HydrophobicContact CB-CZ 4.03Å; N132-F154 PolarHBondContact ND2-O 3.22Å; N132-R155 HydrophobicContact CB-CG 4.47Å
133	L	90	Very high	90.7	Very high	16 Å²	16	63.1 Å²	63.1	8%	0.084	33%	0.325	C	S	.	.			trans	-97.4	91.8	173	-160.9	162.2	0	0	0	109.9	A112 L118 V130 E131 A139	A112-L133 HydrophobicContact CB-CD1 4.46Å; A112-L133 HydrophobicContact CB-CD2 4.02Å; L118-L133 HydrophobicContact CD2-CD2 3.98Å; V130-L133 HydrophobicContact CB-CB 4.37Å; V130-L133 HydrophobicContact CB-CD1 3.93Å; V130-L133 HydrophobicContact CG1-CB 4.48Å; V130-L133 HydrophobicContact CG1-CD1 4.25Å; V130-L133 HydrophobicContact CG2-CD1 4.42Å; E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 PolarHBondContact O-N 2.89Å; L133-A139 HydrophobicContact CD1-CB 4.04Å; L133-A139 HydrophobicContact CD2-CB 4.13Å; L133-A139 HydrophobicContact CG-CB 4.2Å
134	S	87.8	Confident	91.3	Very high	94 Å²	94	60.5 Å²	60.5	66%	0.657	31%	0.311	S	S	*	.			trans	-90.6	-14.5	-176	55.9	0	0	0	0	114.8	S138	S134-S138 PolarHBondContact N-OG 3.12Å
135	G	90.9	Very high	92.3	Very high	19 Å²	19	51.3 Å²	51.3	20%	0.196	27%	0.268	C	S	.	.	S	Bend	trans	-179.1	-164.8	178.7	0	0	0	0	0	113.7	V137 S138 A139	G135-V137 PolarHBondContact O-N 2.83Å; G135-S138 PolarHBondContact N-OG 2.87Å; G135-S138 PolarHBondContact O-N 2.75Å; G135-S138 PolarHBondContact O-OG 3.34Å; G135-A139 PolarHBondContact O-N 3.22Å; G135-A139 VanDerWaalsContact O-N 3.13Å
136	F	93.6	Very high	92.9	Very high	80 Å²	80	43.2 Å²	43.2	35%	0.351	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-41	-177	178.4	-101.6	0	0	0	112.8	L102 F106 W109 S138 A139 F140	L102-F136 HydrophobicContact CD2-CE1 4.44Å; L102-F136 HydrophobicContact CD2-CZ 4.15Å; F106-F136 HydrophobicContact CB-CE2 4.13Å; F106-F136 HydrophobicContact CD2-CE2 4.4Å; W109-F136 HydrophobicContact CB-CD2 4.04Å; W109-F136 HydrophobicContact CD2-CD2 4.41Å; W109-F136 HydrophobicContact CG-CB 4.24Å; W109-F136 HydrophobicContact CG-CD2 4.06Å; F136-S138 VanDerWaalsContact C-N 3.34Å; F136-S138 PolarHBondContact O-N 2.95Å; F136-A139 WeakPolarHBondContact O-CB 3.35Å; F136-A139 PolarHBondContact O-N 2.86Å; F136-A139 VanDerWaalsContact O-N 3.15Å; F136-F140 PolarHBondContact O-N 2.86Å
137	V	95.1	Very high	93.3	Very high	104 Å²	104	39.8 Å²	39.8	63%	0.63	22%	0.22	S	C	*	.	H	α-helix	trans	-63.8	-40	-179.3	-179.4	0	0	0	0	111.4	G135 F140 L141	G135-V137 PolarHBondContact O-N 2.83Å; V137-F140 PolarHBondContact O-N 2.83Å; V137-L141 HydrophobicContact CG1-CD1 4.48Å; V137-L141 WeakPolarHBondContact O-CG 3.4Å; V137-L141 PolarHBondContact O-N 2.71Å
138	S	93.8	Very high	93.6	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-34.8	174.6	47.9	0	0	0	0	112.7	S134 G135 F136 F142	S134-S138 PolarHBondContact N-OG 3.12Å; G135-S138 PolarHBondContact N-OG 2.87Å; G135-S138 PolarHBondContact O-N 2.75Å; G135-S138 PolarHBondContact O-OG 3.34Å; F136-S138 VanDerWaalsContact C-N 3.34Å; F136-S138 PolarHBondContact O-N 2.95Å; S138-F142 WeakPolarHBondContact O-CB 3.25Å; S138-F142 PolarHBondContact O-N 2.85Å
139	A	95.3	Very high	93.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-39.3	174.4	0	0	0	0	0	111.8	G105 W108 W109 L133 G135 F136 F142 S143	G105-A139 WeakPolarHBondContact O-CB 3.42Å; W108-A139 HydrophobicContact CB-CB 4.2Å; W109-A139 HydrophobicContact CB-CB 3.77Å; L133-A139 HydrophobicContact CD1-CB 4.04Å; L133-A139 HydrophobicContact CD2-CB 4.13Å; L133-A139 HydrophobicContact CG-CB 4.2Å; G135-A139 PolarHBondContact O-N 3.22Å; G135-A139 VanDerWaalsContact O-N 3.13Å; F136-A139 WeakPolarHBondContact O-CB 3.35Å; F136-A139 PolarHBondContact O-N 2.86Å; F136-A139 VanDerWaalsContact O-N 3.15Å; A139-F142 PolarHBondContact O-N 3.06Å; A139-S143 WeakPolarHBondContact O-CB 3.39Å; A139-S143 PolarHBondContact O-N 2.87Å
140	F	96.2	Very high	94	Very high	51 Å²	51	46.6 Å²	46.6	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-45.5	173.7	176.7	-109.4	0	0	0	112	W101 L102 F136 V137 F142 S143 I144	W101-F140 HydrophobicContact CB-CD2 4.32Å; W101-F140 HydrophobicContact CB-CE2 3.62Å; W101-F140 HydrophobicContact CB-CZ 4.35Å; L102-F140 HydrophobicContact CD2-CD2 3.79Å; L102-F140 HydrophobicContact CD2-CE2 3.67Å; L102-F140 HydrophobicContact CD2-CZ 4.44Å; L102-F140 HydrophobicContact CG-CD2 4.33Å; L102-F140 HydrophobicContact CG-CE2 3.86Å; F136-F140 PolarHBondContact O-N 2.86Å; V137-F140 PolarHBondContact O-N 2.83Å; F140-F142 VanDerWaalsContact C-N 3.35Å; F140-F142 PolarHBondContact O-N 2.82Å; F140-S143 WeakPolarHBondContact O-CB 3.3Å; F140-S143 PolarHBondContact O-N 2.82Å; F140-I144 HydrophobicContact CD1-CD1 4.01Å; F140-I144 HydrophobicContact CE1-CD1 3.46Å; F140-I144 VanDerWaalsContact CE1-CD1 3.46Å; F140-I144 HydrophobicContact CE1-CG1 4.5Å; F140-I144 HydrophobicContact CE2-CD1 4.2Å; F140-I144 HydrophobicContact CE2-CG1 4.48Å; F140-I144 HydrophobicContact CZ-CD1 3.58Å; F140-I144 HydrophobicContact CZ-CG1 4.31Å; F140-I144 PolarHBondContact O-N 3.07Å
141	L	95.8	Very high	93.9	Very high	72 Å²	72	48.9 Å²	48.9	38%	0.377	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-44.7	174.1	-71.9	171.8	0	0	0	111.5	V137 S143 I144 E145	V137-L141 HydrophobicContact CG1-CD1 4.48Å; V137-L141 WeakPolarHBondContact O-CG 3.4Å; V137-L141 PolarHBondContact O-N 2.71Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 3.18Å; L141-I144 PolarHBondContact O-N 3.19Å; L141-E145 WeakPolarHBondContact O-CB 3.36Å; L141-E145 VanDerWaalsContact O-CG 3.27Å; L141-E145 WeakPolarHBondContact O-CG 3.21Å; L141-E145 PolarHBondContact O-N 3.2Å
142	F	95.9	Very high	94	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.039	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-39.1	175.3	-177.2	-114.8	0	0	0	112.5	W108 V130 S138 A139 F140 I144 E145 T146 R155	W108-F142 AromaticContact CD2-CD1 3.9Å; W108-F142 HydrophobicContact CD2-CD1 3.9Å; W108-F142 AromaticContact CD2-CE1 3.77Å; W108-F142 HydrophobicContact CD2-CE1 3.77Å; W108-F142 AromaticContact CE2-CD1 4Å; W108-F142 AromaticContact CE2-CE1 3.61Å; W108-F142 HydrophobicContact CE3-CD1 4.36Å; W108-F142 HydrophobicContact CE3-CE1 4Å; W108-F142 HydrophobicContact CG-CD1 4.07Å; W108-F142 HydrophobicContact CG-CE1 4.41Å; W108-F142 AromaticContact CH2-CE1 3.94Å; W108-F142 HydrophobicContact CH2-CE1 3.94Å; W108-F142 AromaticContact CZ2-CE1 3.72Å; W108-F142 HydrophobicContact CZ2-CE1 3.72Å; W108-F142 HydrophobicContact CZ3-CE1 4.08Å; V130-F142 HydrophobicContact CB-CE1 4.47Å; V130-F142 HydrophobicContact CG1-CD1 4.05Å; V130-F142 HydrophobicContact CG1-CD2 3.92Å; V130-F142 HydrophobicContact CG1-CE1 3.99Å; V130-F142 HydrophobicContact CG1-CE2 3.86Å; V130-F142 HydrophobicContact CG1-CG 4.01Å; V130-F142 HydrophobicContact CG1-CZ 3.89Å; V130-F142 HydrophobicContact CG2-CD1 4.13Å; V130-F142 HydrophobicContact CG2-CE1 3.6Å; V130-F142 HydrophobicContact CG2-CZ 3.93Å; S138-F142 WeakPolarHBondContact O-CB 3.25Å; S138-F142 PolarHBondContact O-N 2.85Å; A139-F142 PolarHBondContact O-N 3.06Å; F140-F142 VanDerWaalsContact C-N 3.35Å; F140-F142 PolarHBondContact O-N 2.82Å; F142-I144 PolarHBondContact O-N 2.88Å; F142-E145 PolarHBondContact O-N 3.41Å; F142-T146 VanDerWaalsContact O-CB 3.29Å; F142-T146 WeakPolarHBondContact O-CB 3.31Å; F142-T146 PolarHBondContact O-N 3.4Å; F142-T146 PolarHBondContact O-OG1 2.87Å; F142-R155 HydrophobicContact CD2-CB 3.54Å; F142-R155 HydrophobicContact CE2-CB 4.16Å; F142-R155 WeakPolarHBondContact CE2-O 2.94Å; F142-R155 HydrophobicContact CG-CB 4.35Å
143	S	96.9	Very high	94	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-41.7	176	-171.7	0	0	0	0	112.1	W101 F104 G105 A139 F140 L141 E147 Q171	W101-S143 PolarHBondContact O-OG 2.8Å; F104-S143 WeakPolarHBondContact CB-OG 3.46Å; G105-S143 PolarHBondContact N-OG 3.41Å; A139-S143 WeakPolarHBondContact O-CB 3.39Å; A139-S143 PolarHBondContact O-N 2.87Å; F140-S143 WeakPolarHBondContact O-CB 3.3Å; F140-S143 PolarHBondContact O-N 2.82Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 3.18Å; S143-E147 VanDerWaalsContact O-CB 3.32Å; S143-E147 WeakPolarHBondContact O-CB 3.1Å; S143-E147 PolarHBondContact O-N 2.87Å; S143-Q171 PolarHBondContact O-NE2 3.02Å; S143-Q171 PolarHBondContact OG-NE2 3.3Å
144	I	96.6	Very high	94.1	Very high	35 Å²	35	56 Å²	56	18%	0.179	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-53.2	174.1	-65.3	168.6	0	0	0	109.6	W101 F140 L141 F142 T146 E147 T148	W101-I144 HydrophobicContact CB-CG1 3.96Å; W101-I144 HydrophobicContact CD2-CD1 4.38Å; W101-I144 HydrophobicContact CD2-CG1 3.72Å; W101-I144 HydrophobicContact CE3-CD1 4.08Å; W101-I144 HydrophobicContact CE3-CG1 3.94Å; W101-I144 HydrophobicContact CG-CG1 3.73Å; F140-I144 HydrophobicContact CD1-CD1 4.01Å; F140-I144 HydrophobicContact CE1-CD1 3.46Å; F140-I144 VanDerWaalsContact CE1-CD1 3.46Å; F140-I144 HydrophobicContact CE1-CG1 4.5Å; F140-I144 HydrophobicContact CE2-CD1 4.2Å; F140-I144 HydrophobicContact CE2-CG1 4.48Å; F140-I144 HydrophobicContact CZ-CD1 3.58Å; F140-I144 HydrophobicContact CZ-CG1 4.31Å; F140-I144 PolarHBondContact O-N 3.07Å; L141-I144 PolarHBondContact O-N 3.19Å; F142-I144 PolarHBondContact O-N 2.88Å; I144-T146 PolarHBondContact O-N 2.62Å; I144-T146 VanDerWaalsContact O-N 3.1Å; I144-E147 PolarHBondContact O-N 3.1Å; I144-T148 HydrophobicContact CG2-CG2 4.2Å; I144-T148 PolarHBondContact O-N 3.34Å; I144-T148 PolarHBondContact O-OG1 3.04Å
145	E	95.9	Very high	94.3	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-51.3	-39	-179.2	-72.9	173.6	-137.6	0	0	112.2	L141 F142 T149 I150 G151 Y152 R155	L141-E145 WeakPolarHBondContact O-CB 3.36Å; L141-E145 VanDerWaalsContact O-CG 3.27Å; L141-E145 WeakPolarHBondContact O-CG 3.21Å; L141-E145 PolarHBondContact O-N 3.2Å; F142-E145 PolarHBondContact O-N 3.41Å; E145-T149 CarbonylContact O-C 3.59Å; E145-T149 WeakPolarHBondContact O-CA 3.02Å; E145-T149 PolarHBondContact O-N 2.99Å; E145-I150 PolarHBondContact O-N 3.04Å; E145-G151 PolarHBondContact O-N 3.4Å; E145-G151 VanDerWaalsContact O-N 3.08Å; E145-Y152 HydrophobicContact CG-CD2 3.58Å; E145-Y152 HydrophobicContact CG-CE2 4.01Å; E145-R155 IonicContact OE1-CZ 3.53Å; E145-R155 IonicContact OE1-NH1 3.9Å; E145-R155 PolarHBondContact OE1-NH1 3.29Å
146	T	95.2	Very high	94.4	Very high	26 Å²	26	55.9 Å²	55.9	16%	0.16	31%	0.307	C	S	.	.	H	α-helix	trans	-76.4	-51.8	179.2	-57	0	0	0	0	112.4	F142 I144 T149 L168	F142-T146 VanDerWaalsContact O-CB 3.29Å; F142-T146 WeakPolarHBondContact O-CB 3.31Å; F142-T146 PolarHBondContact O-N 3.4Å; F142-T146 PolarHBondContact O-OG1 2.87Å; I144-T146 PolarHBondContact O-N 2.62Å; I144-T146 VanDerWaalsContact O-N 3.1Å; T146-T149 PolarHBondContact O-N 3.17Å; T146-L168 HydrophobicContact CG2-CD1 3.24Å
147	E	95.6	Very high	94.4	Very high	21 Å²	21	54.3 Å²	54.3	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-69.4	-39.8	-175.3	-170	171.3	125.3	0	0	112.6	T100 W101 S143 I144 T149	T100-E147 WeakPolarHBondContact CB-OE1 3.31Å; T100-E147 PolarHBondContact OG1-OE1 3.31Å; W101-E147 VanDerWaalsContact CD1-CD 3.45Å; W101-E147 VanDerWaalsContact CD1-OE1 3.28Å; W101-E147 PolarHBondContact NE1-OE1 3.38Å; S143-E147 VanDerWaalsContact O-CB 3.32Å; S143-E147 WeakPolarHBondContact O-CB 3.1Å; S143-E147 PolarHBondContact O-N 2.87Å; I144-E147 PolarHBondContact O-N 3.1Å; E147-T149 PolarHBondContact O-N 3.32Å
148	T	94.7	Very high	94.2	Very high	49 Å²	49	50.3 Å²	50.3	30%	0.301	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.4	175.9	65.1	0	0	0	0	112.6	W101 I144 I150	W101-T148 HydrophobicContact CZ2-CG2 3.73Å; I144-T148 HydrophobicContact CG2-CG2 4.2Å; I144-T148 PolarHBondContact O-N 3.34Å; I144-T148 PolarHBondContact O-OG1 3.04Å; T148-I150 PolarHBondContact O-N 3.47Å; T148-I150 WeakPolarHBondContact OG1-CD1 3.43Å; T148-I150 VanDerWaalsContact OG1-CG1 3.3Å; T148-I150 WeakPolarHBondContact OG1-CG1 3.27Å
149	T	94.9	Very high	94	Very high	125 Å²	125	58.8 Å²	58.8	77%	0.767	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	32.2	179	67.5	0	0	0	0	114	E145 T146 E147	E145-T149 CarbonylContact O-C 3.59Å; E145-T149 WeakPolarHBondContact O-CA 3.02Å; E145-T149 PolarHBondContact O-N 2.99Å; T146-T149 PolarHBondContact O-N 3.17Å; E147-T149 PolarHBondContact O-N 3.32Å
150	I	96	Very high	93.6	Very high	85 Å²	85	64.8 Å²	64.8	44%	0.436	34%	0.343	S	S	.	.			trans	-75.3	-46.8	174.9	-65.5	166.5	0	0	0	109.7	E145 T148 Y152	E145-I150 PolarHBondContact O-N 3.04Å; T148-I150 PolarHBondContact O-N 3.47Å; T148-I150 WeakPolarHBondContact OG1-CD1 3.43Å; T148-I150 VanDerWaalsContact OG1-CG1 3.3Å; T148-I150 WeakPolarHBondContact OG1-CG1 3.27Å; I150-Y152 HydrophobicContact CG2-CD1 3.79Å; I150-Y152 HydrophobicContact CG2-CD2 4.24Å; I150-Y152 HydrophobicContact CG2-CE1 3.44Å; I150-Y152 VanDerWaalsContact CG2-CE1 3.44Å; I150-Y152 HydrophobicContact CG2-CE2 3.91Å; I150-Y152 HydrophobicContact CG2-CG 4.17Å; I150-Y152 VanDerWaalsContact CG2-CZ 3.5Å
151	G	91.4	Very high	93.3	Very high	52 Å²	52	62.5 Å²	62.5	54%	0.536	33%	0.333	S	S	.	.			trans	48.8	67.1	175.3	0	0	0	0	0	114.6	E145 G153	E145-G151 PolarHBondContact O-N 3.4Å; E145-G151 VanDerWaalsContact O-N 3.08Å; G151-G153 PolarHBondContact O-N 3.4Å
152	Y	92.1	Very high	93.1	Very high	168 Å²	168	63 Å²	63	66%	0.659	34%	0.341	S	S	*	.			trans	-58.8	-18.6	-178.1	-67.2	-60.2	0	0	0	114.1	E145 I150 F154	E145-Y152 HydrophobicContact CG-CD2 3.58Å; E145-Y152 HydrophobicContact CG-CE2 4.01Å; I150-Y152 HydrophobicContact CG2-CD1 3.79Å; I150-Y152 HydrophobicContact CG2-CD2 4.24Å; I150-Y152 HydrophobicContact CG2-CE1 3.44Å; I150-Y152 VanDerWaalsContact CG2-CE1 3.44Å; I150-Y152 HydrophobicContact CG2-CE2 3.91Å; I150-Y152 HydrophobicContact CG2-CG 4.17Å; I150-Y152 VanDerWaalsContact CG2-CZ 3.5Å; Y152-F154 VanDerWaalsContact C-N 3.27Å; Y152-F154 PolarHBondContact O-N 2.87Å
153	G	89.7	Confident	93	Very high	50 Å²	50	68.2 Å²	68.2	52%	0.515	37%	0.365	S	S	.	.	S	Bend	trans	80.7	2.2	177.7	0	0	0	0	0	114.4	G151 V156	G151-G153 PolarHBondContact O-N 3.4Å; G153-V156 VanDerWaalsContact O-CG2 3.32Å; G153-V156 WeakPolarHBondContact O-CG2 3.28Å
154	F	91.8	Very high	92.8	Very high	124 Å²	124	68.2 Å²	68.2	54%	0.544	37%	0.365	S	S	.	.	S	Bend	trans	-77.3	-29.7	170.7	-175.5	-102.2	0	0	0	112.2	N132 Y152	N132-F154 HydrophobicContact CB-CD1 4.09Å; N132-F154 HydrophobicContact CB-CE1 3.58Å; N132-F154 HydrophobicContact CB-CZ 4.03Å; N132-F154 PolarHBondContact ND2-O 3.22Å; Y152-F154 VanDerWaalsContact C-N 3.27Å; Y152-F154 PolarHBondContact O-N 2.87Å
155	R	92.5	Very high	92.8	Very high	45 Å²	45	70.5 Å²	70.5	17%	0.17	38%	0.377	C	S	.	.	S	Bend	trans	-116.1	113.4	175.5	-64.3	176.1	-175.6	90.3	7.5	107.8	V130 N132 F142 E145	V130-R155 HydrophobicContact CG1-CB 4.15Å; N132-R155 HydrophobicContact CB-CG 4.47Å; F142-R155 HydrophobicContact CD2-CB 3.54Å; F142-R155 HydrophobicContact CE2-CB 4.16Å; F142-R155 WeakPolarHBondContact CE2-O 2.94Å; F142-R155 HydrophobicContact CG-CB 4.35Å; E145-R155 IonicContact OE1-CZ 3.53Å; E145-R155 IonicContact OE1-NH1 3.9Å; E145-R155 PolarHBondContact OE1-NH1 3.29Å
156	V	93.1	Very high	92.7	Very high	64 Å²	64	75.5 Å²	75.5	39%	0.388	40%	0.403	S	S	.	.			trans	-126	138.1	-173.4	-175.3	0	0	0	0	109.1	V130 E131 G153	V130-V156 WeakPolarHBondContact CA-O 3.37Å; E131-V156 PolarHBondContact N-O 2.95Å; G153-V156 VanDerWaalsContact O-CG2 3.32Å; G153-V156 WeakPolarHBondContact O-CG2 3.28Å
157	I	93.6	Very high	92.8	Very high	47 Å²	47	75.1 Å²	75.1	24%	0.241	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-76.7	141.2	175.4	-168.3	174.1	0	0	0	110.6	W108 C129 I165 L168	W108-I157 HydrophobicContact CH2-CD1 3.86Å; W108-I157 HydrophobicContact CZ3-CD1 4.5Å; C129-I157 WeakPolarHBondContact O-CA 3.29Å; I157-I165 HydrophobicContact CD1-CG1 4.28Å; I157-L168 HydrophobicContact CD1-CB 4.23Å; I157-L168 HydrophobicContact CD1-CD2 4Å; I157-L168 HydrophobicContact CG2-CD2 4.21Å
158	T	91.3	Very high	92.8	Very high	20 Å²	20	76.7 Å²	76.7	12%	0.123	41%	0.409	C	S	.	.			trans	-107.9	159.8	177.6	74.6	0	0	0	0	111.9	I127 P128 C129 E131 K160	I127-T158 HydrophobicContact CG2-CG2 3.87Å; P128-T158 VanDerWaalsContact O-CG2 3.3Å; P128-T158 WeakPolarHBondContact O-CG2 3.41Å; P128-T158 PolarHBondContact O-OG1 3.1Å; C129-T158 PolarHBondContact O-N 2.84Å; E131-T158 HydrophobicContact CG-CG2 4.07Å; T158-K160 PolarHBondContact O-N 2.96Å
159	E	89.6	Confident	92.9	Very high	184 Å²	184	79.6 Å²	79.6	86%	0.86	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-6	-179.9	-57.8	177.2	-168.4	0	0	113.5	C161	E159-C161 VanDerWaalsContact C-N 3.28Å; E159-C161 PolarHBondContact O-N 2.84Å
160	K	87.3	Confident	93	Very high	127 Å²	127	76.6 Å²	76.6	55%	0.552	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-12.6	-172	-64	-64.9	-172.8	179.6	0	113.8	R115 I127 T158	R115-K160 PolarHBondContact NH1-O 2.98Å; R115-K160 PolarHBondContact NH2-O 3.41Å; I127-K160 HydrophobicContact CB-CG 4.09Å; I127-K160 HydrophobicContact CG2-CG 3.79Å; T158-K160 PolarHBondContact O-N 2.96Å
161	C	89.4	Confident	93	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.014	38%	0.382	C	S	.	.			trans	-123.8	100.8	-178.4	58.7	0	0	0	0	111.8	C129 E159 E163 G164 I165	C129-C161 WeakPolarHBondContact CA-SG 3.33Å; C129-C161 HydrophobicContact CB-CB 3.6Å; C129-C161 WeakPolarHBondContact CB-SG 3.16Å; C129-C161 WeakPolarHBondContact SG-CB 3.25Å; C129-C161 CovalentContact SG-SG 2.03Å; C129-C161 PolarHBondContact SG-SG 2.78Å; E159-C161 VanDerWaalsContact C-N 3.28Å; E159-C161 PolarHBondContact O-N 2.84Å; C161-E163 PolarHBondContact O-N 2.92Å; C161-G164 PolarHBondContact O-N 3.32Å; C161-I165 PolarHBondContact O-N 2.89Å
162	P	92.5	Very high	93.2	Very high	84 Å²	84	72.4 Å²	72.4	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-30.6	175.8	25.6	-33.6	0	0	0	112.4	G164 I165 I166	P162-G164 PolarHBondContact O-N 2.84Å; P162-I165 PolarHBondContact O-N 2.8Å; P162-I166 WeakPolarHBondContact O-CG1 3.36Å; P162-I166 PolarHBondContact O-N 3.04Å
163	E	93.2	Very high	93.5	Very high	117 Å²	117	68.7 Å²	68.7	55%	0.547	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-42.1	176.2	-64.5	170.2	-157.7	0	0	112.2	I111 C161 I166 L167	I111-E163 HydrophobicContact CD1-CB 4.45Å; C161-E163 PolarHBondContact O-N 2.92Å; E163-I166 PolarHBondContact O-N 3.07Å; E163-L167 WeakPolarHBondContact O-CB 3.38Å; E163-L167 PolarHBondContact O-N 3.19Å
164	G	93.4	Very high	93.8	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-39.4	176	0	0	0	0	0	112.2	W108 C161 P162 L167 L168	W108-G164 VanDerWaalsContact CH2-O 3.23Å; W108-G164 WeakPolarHBondContact CH2-O 3.31Å; C161-G164 PolarHBondContact O-N 3.32Å; P162-G164 PolarHBondContact O-N 2.84Å; G164-L167 PolarHBondContact O-N 3.47Å; G164-L168 VanDerWaalsContact O-CB 3.32Å; G164-L168 WeakPolarHBondContact O-CB 3.33Å; G164-L168 PolarHBondContact O-N 2.86Å
165	I	94.9	Very high	94	Very high	84 Å²	84	64.6 Å²	64.6	43%	0.431	34%	0.34	S	S	.	.	H	α-helix	trans	-64	-43.6	177.3	-62.8	171.1	0	0	0	110.9	I157 C161 P162 L168 L169	I157-I165 HydrophobicContact CD1-CG1 4.28Å; C161-I165 PolarHBondContact O-N 2.89Å; P162-I165 PolarHBondContact O-N 2.8Å; I165-L168 PolarHBondContact O-N 2.95Å; I165-L169 PolarHBondContact O-N 2.77Å
166	I	95.7	Very high	94.2	Very high	112 Å²	112	66.3 Å²	66.3	57%	0.574	36%	0.358	S	S	*	.	H	α-helix	trans	-64.5	-43.4	176.8	-65	166.3	0	0	0	110.3	P162 E163 L169 V170	P162-I166 WeakPolarHBondContact O-CG1 3.36Å; P162-I166 PolarHBondContact O-N 3.04Å; E163-I166 PolarHBondContact O-N 3.07Å; I166-L169 PolarHBondContact O-N 3.34Å; I166-V170 HydrophobicContact CG2-CG2 4.44Å; I166-V170 WeakPolarHBondContact O-CG2 3.16Å; I166-V170 PolarHBondContact O-N 3.32Å
167	L	95.9	Very high	94.3	Very high	17 Å²	17	68 Å²	68	9%	0.089	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-44.9	177	-177.7	63	0	0	0	111.7	F104 I107 W108 I111 E163 G164 L169 V170 Q171	F104-L167 HydrophobicContact CD1-CD1 3.89Å; F104-L167 HydrophobicContact CE1-CD1 3.96Å; I107-L167 HydrophobicContact CB-CD1 4.39Å; I107-L167 HydrophobicContact CB-CD2 4.16Å; I107-L167 HydrophobicContact CD1-CD1 4.49Å; I107-L167 HydrophobicContact CG2-CD1 3.78Å; I107-L167 HydrophobicContact CG2-CD2 3.59Å; I107-L167 HydrophobicContact CG2-CG 4.35Å; W108-L167 HydrophobicContact CD2-CD2 3.59Å; W108-L167 HydrophobicContact CE3-CD2 4.02Å; W108-L167 HydrophobicContact CG-CD2 3.95Å; W108-L167 HydrophobicContact CH2-CB 4.43Å; W108-L167 HydrophobicContact CH2-CD2 4.3Å; W108-L167 HydrophobicContact CZ2-CB 4.27Å; W108-L167 HydrophobicContact CZ2-CD2 3.9Å; W108-L167 HydrophobicContact CZ2-CG 4.04Å; W108-L167 HydrophobicContact CZ3-CD2 4.36Å; I111-L167 HydrophobicContact CD1-CB 4.24Å; I111-L167 HydrophobicContact CD1-CD2 3.58Å; E163-L167 WeakPolarHBondContact O-CB 3.38Å; E163-L167 PolarHBondContact O-N 3.19Å; G164-L167 PolarHBondContact O-N 3.47Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.42Å; L167-V170 PolarHBondContact O-N 3.47Å; L167-Q171 VanDerWaalsContact O-CB 3.24Å; L167-Q171 WeakPolarHBondContact O-CB 3.45Å; L167-Q171 PolarHBondContact O-N 2.73Å
168	L	95.9	Very high	94.4	Very high	55 Å²	55	67.4 Å²	67.4	29%	0.288	36%	0.363	S	S	.	.	H	α-helix	trans	-56.3	-45.4	175.7	176.3	64.8	0	0	0	111.3	W108 T146 I157 G164 I165 Q171 A172	W108-L168 HydrophobicContact CH2-CB 4.41Å; W108-L168 HydrophobicContact CZ2-CB 4.23Å; T146-L168 HydrophobicContact CG2-CD1 3.24Å; I157-L168 HydrophobicContact CD1-CB 4.23Å; I157-L168 HydrophobicContact CD1-CD2 4Å; I157-L168 HydrophobicContact CG2-CD2 4.21Å; G164-L168 VanDerWaalsContact O-CB 3.32Å; G164-L168 WeakPolarHBondContact O-CB 3.33Å; G164-L168 PolarHBondContact O-N 2.86Å; I165-L168 PolarHBondContact O-N 2.95Å; L168-Q171 PolarHBondContact O-N 2.78Å; L168-A172 WeakPolarHBondContact O-CB 3.43Å; L168-A172 PolarHBondContact O-N 3.22Å
169	L	96.3	Very high	94.5	Very high	110 Å²	110	70.2 Å²	70.2	58%	0.576	38%	0.377	S	S	*	.	H	α-helix	trans	-63	-47.7	177.6	-178.6	67.1	0	0	0	111.7	I165 I166 L167 Q171 A172 I173	I165-L169 PolarHBondContact O-N 2.77Å; I166-L169 PolarHBondContact O-N 3.34Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.42Å; L169-Q171 VanDerWaalsContact C-N 3.34Å; L169-Q171 PolarHBondContact O-N 3.42Å; L169-A172 PolarHBondContact O-N 3.36Å; L169-I173 HydrophobicContact CD1-CD1 4.12Å; L169-I173 HydrophobicContact CG-CD1 4.05Å; L169-I173 WeakPolarHBondContact O-CG1 3.37Å; L169-I173 PolarHBondContact O-N 2.78Å; L169-I173 VanDerWaalsContact O-N 3.08Å
170	V	96.7	Very high	94.8	Very high	62 Å²	62	64.4 Å²	64.4	38%	0.376	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-43.5	178.5	169.6	0	0	0	0	110.9	I166 L167 I173 L174	I166-V170 HydrophobicContact CG2-CG2 4.44Å; I166-V170 WeakPolarHBondContact O-CG2 3.16Å; I166-V170 PolarHBondContact O-N 3.32Å; L167-V170 PolarHBondContact O-N 3.47Å; V170-I173 PolarHBondContact O-N 3.42Å; V170-L174 HydrophobicContact CG1-CD1 3.73Å; V170-L174 HydrophobicContact CG1-CG 4.37Å; V170-L174 WeakPolarHBondContact O-CB 3.47Å; V170-L174 WeakPolarHBondContact O-CG 3.25Å; V170-L174 PolarHBondContact O-N 3.26Å
171	Q	96.9	Very high	95.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.5	-43.5	177.9	-176.5	174.4	-13.2	0	0	111.8	F104 S143 L167 L168 L169 I173 G175	F104-Q171 HydrophobicContact CB-CG 4.36Å; F104-Q171 HydrophobicContact CD1-CB 3.72Å; F104-Q171 HydrophobicContact CD1-CG 3.75Å; F104-Q171 HydrophobicContact CD2-CG 3.91Å; F104-Q171 HydrophobicContact CE1-CB 3.56Å; F104-Q171 HydrophobicContact CE1-CG 3.95Å; F104-Q171 HydrophobicContact CE2-CB 4.44Å; F104-Q171 HydrophobicContact CE2-CG 4.1Å; F104-Q171 HydrophobicContact CG-CB 4.25Å; F104-Q171 HydrophobicContact CG-CG 3.75Å; F104-Q171 HydrophobicContact CZ-CB 3.95Å; F104-Q171 HydrophobicContact CZ-CG 4.12Å; S143-Q171 PolarHBondContact O-NE2 3.02Å; S143-Q171 PolarHBondContact OG-NE2 3.3Å; L167-Q171 VanDerWaalsContact O-CB 3.24Å; L167-Q171 WeakPolarHBondContact O-CB 3.45Å; L167-Q171 PolarHBondContact O-N 2.73Å; L168-Q171 PolarHBondContact O-N 2.78Å; L169-Q171 VanDerWaalsContact C-N 3.34Å; L169-Q171 PolarHBondContact O-N 3.42Å; Q171-I173 PolarHBondContact O-N 3.35Å; Q171-G175 WeakPolarHBondContact O-CA 3.46Å; Q171-G175 PolarHBondContact O-N 3.41Å
172	A	96.3	Very high	95.2	Very high	48 Å²	48	62.6 Å²	62.6	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-42.7	177.4	0	0	0	0	0	112.1	L168 L169 S176	L168-A172 WeakPolarHBondContact O-CB 3.43Å; L168-A172 PolarHBondContact O-N 3.22Å; L169-A172 PolarHBondContact O-N 3.36Å; A172-S176 WeakPolarHBondContact O-CB 3.3Å; A172-S176 PolarHBondContact O-N 3.24Å; A172-S176 VanDerWaalsContact O-N 3.07Å; A172-S176 PolarHBondContact O-OG 2.71Å
173	I	96.8	Very high	95.3	Very high	91 Å²	91	62.3 Å²	62.3	47%	0.467	35%	0.35	S	S	.	.	H	α-helix	trans	-67.7	-51.3	179	-66.4	167.6	0	0	0	110.7	L169 V170 Q171 S176 I177	L169-I173 HydrophobicContact CD1-CD1 4.12Å; L169-I173 HydrophobicContact CG-CD1 4.05Å; L169-I173 WeakPolarHBondContact O-CG1 3.37Å; L169-I173 PolarHBondContact O-N 2.78Å; L169-I173 VanDerWaalsContact O-N 3.08Å; V170-I173 PolarHBondContact O-N 3.42Å; Q171-I173 PolarHBondContact O-N 3.35Å; I173-S176 PolarHBondContact O-N 3.48Å; I173-I177 HydrophobicContact CG2-CD1 3.98Å; I173-I177 WeakPolarHBondContact O-CG1 3.3Å; I173-I177 PolarHBondContact O-N 3.08Å; I173-I177 VanDerWaalsContact O-N 3.07Å
174	L	96.3	Very high	95.3	Very high	81 Å²	81	58 Å²	58	42%	0.424	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-39.7	-178.9	-72.1	176.8	0	0	0	112	F104 V170 S176 I177 V178	F104-L174 HydrophobicContact CZ-CB 4.32Å; F104-L174 HydrophobicContact CZ-CD1 4.02Å; V170-L174 HydrophobicContact CG1-CD1 3.73Å; V170-L174 HydrophobicContact CG1-CG 4.37Å; V170-L174 WeakPolarHBondContact O-CB 3.47Å; V170-L174 WeakPolarHBondContact O-CG 3.25Å; V170-L174 PolarHBondContact O-N 3.26Å; L174-S176 VanDerWaalsContact C-N 3.32Å; L174-S176 PolarHBondContact O-N 3.33Å; L174-I177 HydrophobicContact CD2-CD1 4.48Å; L174-I177 PolarHBondContact O-N 2.9Å; L174-V178 WeakPolarHBondContact O-CG2 3.33Å; L174-V178 PolarHBondContact O-N 3.47Å
175	G	96.1	Very high	95.2	Very high	7 Å²	7	58.1 Å²	58.1	7%	0.072	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-43.5	173.9	0	0	0	0	0	111.9	Q171 I177 V178 N179	Q171-G175 WeakPolarHBondContact O-CA 3.46Å; Q171-G175 PolarHBondContact O-N 3.41Å; G175-I177 PolarHBondContact O-N 2.95Å; G175-V178 PolarHBondContact O-N 3.31Å; G175-N179 WeakPolarHBondContact O-CB 3.48Å; G175-N179 PolarHBondContact O-N 2.78Å
176	S	96.3	Very high	95	Very high	80 Å²	80	55.5 Å²	55.5	56%	0.559	32%	0.324	S	S	*	.	H	α-helix	trans	-62.6	-41.4	175.2	-60.8	0	0	0	0	112.5	A172 I173 L174 A180	A172-S176 WeakPolarHBondContact O-CB 3.3Å; A172-S176 PolarHBondContact O-N 3.24Å; A172-S176 VanDerWaalsContact O-N 3.07Å; A172-S176 PolarHBondContact O-OG 2.71Å; I173-S176 PolarHBondContact O-N 3.48Å; L174-S176 VanDerWaalsContact C-N 3.32Å; L174-S176 PolarHBondContact O-N 3.33Å; S176-A180 VanDerWaalsContact O-CB 3.3Å; S176-A180 WeakPolarHBondContact O-CB 3.45Å; S176-A180 PolarHBondContact O-N 3.31Å
177	I	96.1	Very high	94.8	Very high	101 Å²	101	56.8 Å²	56.8	52%	0.518	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-48.4	178.1	-67.9	165.8	0	0	0	111	I173 L174 G175 N179 A180 F181	I173-I177 HydrophobicContact CG2-CD1 3.98Å; I173-I177 WeakPolarHBondContact O-CG1 3.3Å; I173-I177 PolarHBondContact O-N 3.08Å; I173-I177 VanDerWaalsContact O-N 3.07Å; L174-I177 HydrophobicContact CD2-CD1 4.48Å; L174-I177 PolarHBondContact O-N 2.9Å; G175-I177 PolarHBondContact O-N 2.95Å; I177-N179 VanDerWaalsContact C-N 3.34Å; I177-N179 PolarHBondContact O-N 2.85Å; I177-A180 PolarHBondContact O-N 3.35Å; I177-F181 WeakPolarHBondContact O-CB 3.43Å; I177-F181 PolarHBondContact O-N 3.46Å
178	V	94.9	Very high	94.5	Very high	34 Å²	34	58.4 Å²	58.4	21%	0.206	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-44.4	178.5	170.8	0	0	0	0	110.5	V96 T100 L174 G175 F181 M182	V96-V178 HydrophobicContact CG1-CG1 3.68Å; T100-V178 HydrophobicContact CG2-CG1 4.47Å; T100-V178 HydrophobicContact CG2-CG2 4.41Å; L174-V178 WeakPolarHBondContact O-CG2 3.33Å; L174-V178 PolarHBondContact O-N 3.47Å; G175-V178 PolarHBondContact O-N 3.31Å; V178-F181 PolarHBondContact O-N 2.93Å; V178-M182 HydrophobicContact CG1-CG 4.39Å; V178-M182 WeakPolarHBondContact O-CB 3.41Å; V178-M182 WeakPolarHBondContact O-CG 3.29Å; V178-M182 PolarHBondContact O-N 3.43Å
179	N	94.4	Very high	94.3	Very high	78 Å²	78	56.7 Å²	56.7	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-47.1	177.7	-173.4	57.6	0	0	0	111.9	Y97 G175 I177 F181 M182 V183	Y97-N179 PolarHBondContact OH-OD1 2.91Å; G175-N179 WeakPolarHBondContact O-CB 3.48Å; G175-N179 PolarHBondContact O-N 2.78Å; I177-N179 VanDerWaalsContact C-N 3.34Å; I177-N179 PolarHBondContact O-N 2.85Å; N179-F181 VanDerWaalsContact C-N 3.34Å; N179-F181 PolarHBondContact O-N 2.84Å; N179-M182 PolarHBondContact O-N 3.3Å; N179-V183 WeakPolarHBondContact O-CB 3.22Å; N179-V183 WeakPolarHBondContact O-CG2 3.43Å; N179-V183 PolarHBondContact O-N 3.13Å
180	A	95.1	Very high	93.9	Very high	63 Å²	63	57 Å²	57	52%	0.521	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-42.8	177.2	0	0	0	0	0	112	S176 I177 G184	S176-A180 VanDerWaalsContact O-CB 3.3Å; S176-A180 WeakPolarHBondContact O-CB 3.45Å; S176-A180 PolarHBondContact O-N 3.31Å; I177-A180 PolarHBondContact O-N 3.35Å; A180-G184 PolarHBondContact O-N 3.42Å
181	F	93.2	Very high	93.4	Very high	79 Å²	79	55.6 Å²	55.6	35%	0.346	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-47	177	179.9	-99.5	0	0	0	112.1	F78 L81 I177 V178 N179 G184 C185	F78-F181 AromaticContact CD2-CE2 3.95Å; F78-F181 HydrophobicContact CD2-CE2 3.95Å; F78-F181 HydrophobicContact CD2-CZ 4.42Å; L81-F181 HydrophobicContact CD1-CE1 3.62Å; L81-F181 HydrophobicContact CD1-CZ 3.71Å; I177-F181 WeakPolarHBondContact O-CB 3.43Å; I177-F181 PolarHBondContact O-N 3.46Å; V178-F181 PolarHBondContact O-N 2.93Å; N179-F181 VanDerWaalsContact C-N 3.34Å; N179-F181 PolarHBondContact O-N 2.84Å; F181-G184 PolarHBondContact O-N 3.18Å; F181-C185 WeakPolarHBondContact O-CB 3.38Å; F181-C185 PolarHBondContact O-N 3.31Å
182	M	92.9	Very high	92.7	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.059	33%	0.33	C	S	.	.	H	α-helix	trans	-68.6	-45.6	-177.9	-73	-58.6	169.7	0	0	112.8	F93 V96 Y97 V178 N179 G184 C185 M186	F93-M182 HydrophobicContact CD2-CB 3.95Å; F93-M182 HydrophobicContact CD2-CG 4.34Å; F93-M182 HydrophobicContact CD2-SD 4.27Å; F93-M182 HydrophobicContact CE2-CB 3.77Å; V96-M182 HydrophobicContact CB-CE 3.59Å; V96-M182 HydrophobicContact CG1-CE 3.59Å; V96-M182 HydrophobicContact CG2-CE 3.5Å; V96-M182 VanDerWaalsContact CG2-CE 3.5Å; Y97-M182 HydrophobicContact CE2-CB 4.13Å; Y97-M182 HydrophobicContact CE2-CG 4.15Å; V178-M182 HydrophobicContact CG1-CG 4.39Å; V178-M182 WeakPolarHBondContact O-CB 3.41Å; V178-M182 WeakPolarHBondContact O-CG 3.29Å; V178-M182 PolarHBondContact O-N 3.43Å; N179-M182 PolarHBondContact O-N 3.3Å; M182-G184 VanDerWaalsContact C-N 3.33Å; M182-C185 PolarHBondContact O-N 2.62Å; M182-M186 WeakPolarHBondContact O-CG 3.07Å; M182-M186 PolarHBondContact O-N 3.36Å
183	V	93.6	Very high	91.7	Very high	78 Å²	78	56.5 Å²	56.5	47%	0.473	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-41	175.2	173.8	0	0	0	0	110.6	N179 M186 F187	N179-V183 WeakPolarHBondContact O-CB 3.22Å; N179-V183 WeakPolarHBondContact O-CG2 3.43Å; N179-V183 PolarHBondContact O-N 3.13Å; V183-M186 PolarHBondContact O-N 3.26Å; V183-F187 WeakPolarHBondContact O-CB 3.31Å; V183-F187 PolarHBondContact O-N 3.21Å
184	G	93.3	Very high	90.5	Very high	27 Å²	27	57.9 Å²	57.9	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-45.3	175	0	0	0	0	0	112.6	A180 F181 M182 F187 V188	A180-G184 PolarHBondContact O-N 3.42Å; F181-G184 PolarHBondContact O-N 3.18Å; M182-G184 VanDerWaalsContact C-N 3.33Å; G184-F187 PolarHBondContact O-N 2.75Å; G184-V188 WeakPolarHBondContact O-CG2 3.37Å; G184-V188 PolarHBondContact O-N 3.28Å
185	C	91.9	Very high	89.4	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-44.4	175.5	-174.2	0	0	0	0	111.8	F78 F181 M182 K189	F78-C185 HydrophobicContact CE2-CB 4.41Å; F181-C185 WeakPolarHBondContact O-CB 3.38Å; F181-C185 PolarHBondContact O-N 3.31Å; M182-C185 PolarHBondContact O-N 2.62Å; C185-K189 WeakPolarHBondContact O-CB 3.45Å; C185-K189 PolarHBondContact O-N 2.98Å
186	M	91.3	Very high	88.5	Confident	29 Å²	29	61.9 Å²	61.9	14%	0.143	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-48.8	174.5	-78.8	-64.9	102.2	0	0	112.3	W86 N89 F93 M182 V183 V188 K189 I190	W86-M186 HydrophobicContact CZ3-SD 4.1Å; N89-M186 HydrophobicContact CB-CE 4.49Å; N89-M186 WeakPolarHBondContact OD1-CE 3.39Å; F93-M186 HydrophobicContact CD2-CG 4.24Å; F93-M186 HydrophobicContact CE2-CG 4.16Å; M182-M186 WeakPolarHBondContact O-CG 3.07Å; M182-M186 PolarHBondContact O-N 3.36Å; V183-M186 PolarHBondContact O-N 3.26Å; M186-V188 PolarHBondContact O-N 3.42Å; M186-K189 HydrophobicContact CE-CD 4.38Å; M186-K189 PolarHBondContact O-N 3.38Å; M186-I190 VanDerWaalsContact O-CG1 3.28Å; M186-I190 WeakPolarHBondContact O-CG1 3.31Å; M186-I190 PolarHBondContact O-N 3.06Å
187	F	91.3	Very high	87.7	Confident	139 Å²	139	59.4 Å²	59.4	61%	0.61	32%	0.316	S	S	*	.	H	α-helix	trans	-59	-49.1	180	175	-100.7	0	0	0	111.4	V183 G184 K189 I190 S191	V183-F187 WeakPolarHBondContact O-CB 3.31Å; V183-F187 PolarHBondContact O-N 3.21Å; G184-F187 PolarHBondContact O-N 2.75Å; F187-K189 PolarHBondContact O-N 3.29Å; F187-I190 PolarHBondContact O-N 2.96Å; F187-S191 VanDerWaalsContact O-CB 3.31Å; F187-S191 WeakPolarHBondContact O-CB 3.44Å; F187-S191 PolarHBondContact O-N 3.08Å; F187-S191 PolarHBondContact O-OG 2.77Å
188	V	90	Very high	87	Confident	50 Å²	50	61.9 Å²	61.9	30%	0.303	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-46.5	177.1	171.8	0	0	0	0	110.9	F78 V82 G184 M186 I190 S191 Q192	F78-V188 HydrophobicContact CZ-CB 4.36Å; F78-V188 HydrophobicContact CZ-CG2 4.05Å; V82-V188 HydrophobicContact CG1-CG1 4.03Å; V82-V188 HydrophobicContact CG2-CG1 4.21Å; G184-V188 WeakPolarHBondContact O-CG2 3.37Å; G184-V188 PolarHBondContact O-N 3.28Å; M186-V188 PolarHBondContact O-N 3.42Å; V188-I190 VanDerWaalsContact C-N 3.35Å; V188-I190 PolarHBondContact O-N 2.96Å; V188-S191 PolarHBondContact O-N 3.21Å; V188-S191 VanDerWaalsContact O-N 3.17Å; V188-Q192 WeakPolarHBondContact O-CG 3.32Å; V188-Q192 PolarHBondContact O-N 2.95Å
189	K	89.8	Confident	86.6	Confident	19 Å²	19	62.2 Å²	62.2	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-39.8	179.6	-173.9	174.6	-170.8	60.4	0	113.4	V82 L84 W86 N89 C185 M186 F187 S191	V82-K189 HydrophobicContact CG1-CB 4.29Å; V82-K189 PolarHBondContact O-NZ 3.26Å; L84-K189 WeakPolarHBondContact O-CE 3.36Å; L84-K189 PolarHBondContact O-NZ 2.81Å; W86-K189 HydrophobicContact CD2-CD 4.31Å; W86-K189 HydrophobicContact CE3-CD 4.29Å; W86-K189 HydrophobicContact CH2-CD 4.07Å; W86-K189 HydrophobicContact CH2-CG 4.14Å; W86-K189 HydrophobicContact CZ2-CD 4.08Å; W86-K189 HydrophobicContact CZ2-CG 3.91Å; W86-K189 HydrophobicContact CZ3-CD 4.18Å; N89-K189 HydrophobicContact CB-CD 4.36Å; N89-K189 WeakPolarHBondContact ND2-CD 3.45Å; C185-K189 WeakPolarHBondContact O-CB 3.45Å; C185-K189 PolarHBondContact O-N 2.98Å; M186-K189 HydrophobicContact CE-CD 4.38Å; M186-K189 PolarHBondContact O-N 3.38Å; F187-K189 PolarHBondContact O-N 3.29Å; K189-S191 VanDerWaalsContact C-N 3.34Å
190	I	88.8	Confident	86.6	Confident	118 Å²	118	59 Å²	59	61%	0.605	31%	0.31	S	S	*	.	H	α-helix	trans	-68.3	-39.2	176.6	-69.5	169.2	0	0	0	110.4	W86 M186 F187 V188 Q192	W86-I190 HydrophobicContact CH2-CD1 4.48Å; W86-I190 HydrophobicContact CH2-CG1 3.67Å; W86-I190 HydrophobicContact CZ2-CG1 4.22Å; M186-I190 VanDerWaalsContact O-CG1 3.28Å; M186-I190 WeakPolarHBondContact O-CG1 3.31Å; M186-I190 PolarHBondContact O-N 3.06Å; F187-I190 PolarHBondContact O-N 2.96Å; V188-I190 VanDerWaalsContact C-N 3.35Å; V188-I190 PolarHBondContact O-N 2.96Å; I190-Q192 VanDerWaalsContact C-N 3.31Å; I190-Q192 PolarHBondContact O-N 2.99Å
191	S	85.9	Confident	86.5	Confident	31 Å²	31	57.9 Å²	57.9	22%	0.217	30%	0.295	C	S	.	.	H	α-helix	trans	-73.1	-26	-176	-54.6	0	0	0	0	111.8	F187 V188 K189 M314	F187-S191 VanDerWaalsContact O-CB 3.31Å; F187-S191 WeakPolarHBondContact O-CB 3.44Å; F187-S191 PolarHBondContact O-N 3.08Å; F187-S191 PolarHBondContact O-OG 2.77Å; V188-S191 PolarHBondContact O-N 3.21Å; V188-S191 VanDerWaalsContact O-N 3.17Å; K189-S191 VanDerWaalsContact C-N 3.34Å; S191-M314 WeakPolarHBondContact O-CE 3.29Å
192	Q	82.6	Confident	86.7	Confident	45 Å²	45	55 Å²	55	21%	0.21	28%	0.282	C	S	.	.			trans	-49.5	128.3	-177.3	-79.5	-167.4	-14.9	0	0	112.6	V82 V188 I190 K194	V82-Q192 HydrophobicContact CG1-CG 4.43Å; V188-Q192 WeakPolarHBondContact O-CG 3.32Å; V188-Q192 PolarHBondContact O-N 2.95Å; I190-Q192 VanDerWaalsContact C-N 3.31Å; I190-Q192 PolarHBondContact O-N 2.99Å; Q192-K194 PolarHBondContact O-N 2.69Å
193	P	75.3	Confident	86.9	Confident	23 Å²	23	54.5 Å²	54.5	15%	0.149	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-77.9	19.9	-173.6	33	-37.3	0	0	0	113.9	K195 R196 A197 V309 M314 T315 C316	P193-K195 PolarHBondContact O-N 3.18Å; P193-R196 HydrophobicContact CB-CB 4.45Å; P193-R196 WeakPolarHBondContact O-CB 3.39Å; P193-R196 PolarHBondContact O-N 2.86Å; P193-A197 PolarHBondContact O-N 2.66Å; P193-V309 HydrophobicContact CB-CB 4.46Å; P193-V309 HydrophobicContact CB-CG2 3.44Å; P193-V309 VanDerWaalsContact CB-CG2 3.44Å; P193-V309 HydrophobicContact CG-CG2 4.29Å; P193-M314 HydrophobicContact CG-CB 4Å; P193-T315 VanDerWaalsContact CG-O 3.31Å; P193-T315 WeakPolarHBondContact CG-O 3.35Å; P193-C316 HydrophobicContact CB-CB 3.99Å; P193-C316 HydrophobicContact CG-CB 4.09Å
194	K	71.3	Confident	87	Confident	119 Å²	119	54.7 Å²	54.7	52%	0.517	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-56.7	-36.2	-177.5	-73.4	177	176.8	160.2	0	112	D83 Q192 R196	D83-K194 IonicContact OD1-NZ 2.78Å; D83-K194 PolarHBondContact OD1-NZ 2.86Å; Q192-K194 PolarHBondContact O-N 2.69Å; K194-R196 VanDerWaalsContact C-N 3.32Å; K194-R196 PolarHBondContact O-N 2.88Å
195	K	72.5	Confident	87.2	Confident	159 Å²	159	55.9 Å²	55.9	69%	0.691	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-71.4	-22.7	175.3	-66.2	-171.2	177.1	-176.1	0	113.8	P193 E198	P193-K195 PolarHBondContact O-N 3.18Å; K195-E198 WeakPolarHBondContact O-CB 3.4Å; K195-E198 PolarHBondContact O-N 3.48Å
196	R	78.8	Confident	87.4	Confident	14 Å²	14	55.8 Å²	55.8	5%	0.053	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-27.7	178.9	-169.3	159.1	176.4	-178.4	-2.8	112.2	P193 K194 E198 T199 S227 H228 I229 V309	P193-R196 HydrophobicContact CB-CB 4.45Å; P193-R196 WeakPolarHBondContact O-CB 3.39Å; P193-R196 PolarHBondContact O-N 2.86Å; K194-R196 VanDerWaalsContact C-N 3.32Å; K194-R196 PolarHBondContact O-N 2.88Å; R196-E198 PolarHBondContact O-N 2.87Å; R196-T199 PolarHBondContact O-N 3.27Å; R196-T199 PolarHBondContact O-OG1 3.48Å; R196-S227 PolarHBondContact NH2-O 2.86Å; R196-S227 PolarHBondContact NH2-OG 2.88Å; R196-H228 PolarHBondContact NH2-O 2.9Å; R196-I229 HydrophobicContact CG-CD1 4.42Å; R196-I229 VanDerWaalsContact NE-CD1 3.3Å; R196-I229 VanDerWaalsContact NH2-CD1 3.35Å; R196-V309 HydrophobicContact CB-CG2 4.34Å; R196-V309 HydrophobicContact CG-CG2 4.31Å
197	A	78.4	Confident	87.7	Confident	27 Å²	27	54.4 Å²	54.4	22%	0.223	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.6	170.4	0	0	0	0	0	112.7	P193 A318	P193-A197 PolarHBondContact O-N 2.66Å; A197-A318 HydrophobicContact CB-CB 4.23Å
198	E	81.1	Confident	88	Confident	154 Å²	154	47.9 Å²	47.9	72%	0.72	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.1	177.3	-59.9	178.9	159.9	0	0	112.9	K195 R196	K195-E198 WeakPolarHBondContact O-CB 3.4Å; K195-E198 PolarHBondContact O-N 3.48Å; R196-E198 PolarHBondContact O-N 2.87Å
199	T	87.9	Confident	88.3	Confident	40 Å²	40	45.5 Å²	45.5	25%	0.245	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.4	177.1	65.2	0	0	0	0	113.1	R196 L224	R196-T199 PolarHBondContact O-N 3.27Å; R196-T199 PolarHBondContact O-OG1 3.48Å; T199-L224 WeakPolarHBondContact O-CB 3.25Å; T199-L224 PolarHBondContact O-N 3.3Å; T199-L224 VanDerWaalsContact O-N 3.14Å
200	L	92.9	Very high	88.5	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.6	173	-67.1	170.3	0	0	0	108.7	D223 I229 L270 L305 A318	L200-D223 HydrophobicContact CD2-CB 3.87Å; L200-I229 HydrophobicContact CD1-CD1 4.21Å; L200-I229 HydrophobicContact CD2-CD1 4.3Å; L200-I229 HydrophobicContact CD2-CG1 4.02Å; L200-L270 HydrophobicContact CD2-CD2 4.26Å; L200-L305 HydrophobicContact CB-CD2 4.47Å; L200-L305 HydrophobicContact CD1-CD2 3.89Å; L200-L305 HydrophobicContact CD2-CD2 3.97Å; L200-L305 HydrophobicContact CG-CD2 4.33Å; L200-A318 HydrophobicContact CB-CB 3.81Å; L200-A318 HydrophobicContact CD1-CB 3.77Å; L200-A318 HydrophobicContact CG-CB 4.44Å
201	M	93.4	Very high	88.8	Confident	40 Å²	40	46.2 Å²	46.2	20%	0.197	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.8	-176.2	-62.5	-162.5	-51	0	0	111.5	V221 G222 L224 Y348 F351	M201-V221 CarbonylContact O-C 3.51Å; M201-V221 WeakPolarHBondContact O-CA 3.45Å; M201-G222 PolarHBondContact N-O 2.97Å; M201-G222 PolarHBondContact O-N 2.96Å; M201-L224 HydrophobicContact CE-CD1 4.3Å; M201-L224 HydrophobicContact CE-CD2 3.54Å; M201-L224 HydrophobicContact CE-CG 3.89Å; M201-L224 HydrophobicContact CG-CD1 3.86Å; M201-L224 HydrophobicContact CG-CG 4.04Å; M201-L224 HydrophobicContact SD-CD1 3.64Å; M201-L224 HydrophobicContact SD-CD2 3.99Å; M201-L224 HydrophobicContact SD-CG 3.91Å; M201-Y348 HydrophobicContact CE-CD1 3.49Å; M201-Y348 VanDerWaalsContact CE-CD1 3.49Å; M201-Y348 HydrophobicContact CE-CE1 3.78Å; M201-F351 HydrophobicContact CB-CE1 4.14Å; M201-F351 HydrophobicContact CB-CZ 4.11Å; M201-F351 HydrophobicContact CE-CD1 4.18Å; M201-F351 HydrophobicContact CE-CD2 4.39Å; M201-F351 HydrophobicContact CE-CE1 4.26Å; M201-F351 HydrophobicContact CE-CE2 4.46Å; M201-F351 HydrophobicContact CE-CG 4.25Å; M201-F351 HydrophobicContact CE-CZ 4.41Å
202	F	96.9	Very high	89	Confident	19 Å²	19	51.4 Å²	51.4	8%	0.083	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.6	167.8	-62.1	-84.2	0	0	0	109	R220 V221 I234 V303 L305 A318 S320	F202-R220 CarbonylContact C-O 3.56Å; F202-R220 WeakPolarHBondContact CA-O 3.44Å; F202-V221 HydrophobicContact CD1-CB 4.39Å; F202-V221 HydrophobicContact CD1-CG2 4.11Å; F202-V221 HydrophobicContact CE1-CG2 3.95Å; F202-I234 HydrophobicContact CE1-CD1 4.19Å; F202-V303 HydrophobicContact CD1-CG2 3.72Å; F202-V303 HydrophobicContact CE1-CB 4.42Å; F202-V303 HydrophobicContact CE1-CG2 3.76Å; F202-V303 HydrophobicContact CG-CG2 4.26Å; F202-V303 HydrophobicContact CZ-CG2 4.32Å; F202-L305 HydrophobicContact CE1-CB 4.24Å; F202-L305 HydrophobicContact CZ-CB 3.8Å; F202-A318 HydrophobicContact CE2-CB 3.93Å; F202-A318 HydrophobicContact CZ-CB 4.21Å; F202-S320 VanDerWaalsContact CD2-CB 3.48Å
203	S	97.3	Very high	89.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.007	27%	0.27	C	S	.	.			trans	-54.6	151.1	169.6	42.6	0	0	0	0	111.1	N205 R220 Y322	S203-N205 VanDerWaalsContact C-N 3.3Å; S203-N205 WeakPolarHBondContact CB-O 3.24Å; S203-N205 PolarHBondContact OG-O 2.93Å; S203-N205 VanDerWaalsContact OG-O 3.12Å; S203-R220 PolarHBondContact N-O 2.87Å; S203-R220 PolarHBondContact OG-N 3.14Å; S203-R220 PolarHBondContact OG-O 3.32Å; S203-Y322 VanDerWaalsContact O-CE1 3.25Å; S203-Y322 WeakPolarHBondContact O-CE1 3.12Å; S203-Y322 PolarHBondContact O-OH 2.78Å; S203-Y322 PolarHBondContact OG-OH 3.45Å
204	N	95.9	Very high	90.1	Very high	83 Å²	83	59.3 Å²	59.3	44%	0.444	28%	0.283	S	S	.	.	S	Bend	trans	-69.7	-36.2	176.9	-72.1	-20.1	0	0	0	110.7	K56 H352	K56-N204 WeakPolarHBondContact CE-O 3.37Å; K56-N204 PolarHBondContact NZ-O 3.18Å; N204-H352 PolarHBondContact N-ND1 2.84Å; N204-H352 PolarHBondContact OD1-ND1 3.33Å
205	N	97.1	Very high	91.3	Very high	51 Å²	51	53.9 Å²	53.9	27%	0.273	26%	0.26	S	S	.	.	S	Bend	trans	-121.4	146	-175.3	-60.2	33.7	0	0	0	109.2	S203 E326 L328 F333	S203-N205 VanDerWaalsContact C-N 3.3Å; S203-N205 WeakPolarHBondContact CB-O 3.24Å; S203-N205 PolarHBondContact OG-O 2.93Å; S203-N205 VanDerWaalsContact OG-O 3.12Å; N205-E326 CarbonylContact C-O 3.44Å; N205-E326 VanDerWaalsContact CA-O 3.28Å; N205-E326 WeakPolarHBondContact CA-O 3.46Å; N205-L328 HydrophobicContact CB-CD1 4.04Å; N205-L328 HydrophobicContact CB-CG 4.16Å; N205-L328 WeakPolarHBondContact ND2-CD1 3.4Å; N205-F333 WeakPolarHBondContact O-CZ 3.38Å
206	A	97.6	Very high	92.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	154.3	163.3	0	0	0	0	0	108.2	M218 F219 Y322 E326 V327 L328	A206-M218 CarbonylContact C-O 3.54Å; A206-M218 VanDerWaalsContact CA-O 3.3Å; A206-M218 WeakPolarHBondContact CA-O 3.08Å; A206-F219 HydrophobicContact CB-CB 4.35Å; A206-Y322 HydrophobicContact CB-CD1 3.82Å; A206-Y322 HydrophobicContact CB-CD2 4.29Å; A206-Y322 HydrophobicContact CB-CE1 4.17Å; A206-Y322 HydrophobicContact CB-CG 3.9Å; A206-E326 PolarHBondContact N-O 2.86Å; A206-V327 HydrophobicContact CB-CG2 4.28Å; A206-V327 CarbonylContact O-C 3.59Å; A206-V327 WeakPolarHBondContact O-CA 3.37Å; A206-L328 PolarHBondContact O-N 3.2Å
207	V	97.5	Very high	93.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.4	-178.4	-55.8	0	0	0	0	110.7	M218 L328 H331 F333 T354	V207-M218 HydrophobicContact CG2-CB 3.9Å; V207-M218 HydrophobicContact CG2-CE 4.26Å; V207-M218 PolarHBondContact N-O 3.45Å; V207-M218 PolarHBondContact O-N 3.11Å; V207-L328 CarbonylContact C-O 3.6Å; V207-L328 VanDerWaalsContact CA-O 3.29Å; V207-L328 WeakPolarHBondContact CA-O 3.32Å; V207-L328 HydrophobicContact CG1-CB 4.34Å; V207-H331 HydrophobicContact CB-CB 3.91Å; V207-H331 WeakPolarHBondContact CB-O 3.39Å; V207-H331 HydrophobicContact CG1-CB 3.65Å; V207-F333 HydrophobicContact CG1-CE2 4.35Å; V207-F333 HydrophobicContact CG1-CZ 4.23Å; V207-F333 HydrophobicContact CG2-CD2 3.82Å; V207-F333 HydrophobicContact CG2-CE2 3.6Å; V207-F333 HydrophobicContact CG2-CZ 4.27Å; V207-T354 HydrophobicContact CG1-CG2 3.65Å
208	I	97.1	Very high	94.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.4	172.2	-64.2	173	0	0	0	107.9	L215 C216 L217 I280 L294 V327 L328 W329 G330	I208-L215 HydrophobicContact CG2-CD1 3.77Å; I208-L215 HydrophobicContact CG2-CD2 4.01Å; I208-L215 HydrophobicContact CG2-CG 3.73Å; I208-C216 WeakPolarHBondContact CA-O 3.47Å; I208-L217 HydrophobicContact CD1-CD1 4.37Å; I208-L217 HydrophobicContact CG1-CB 4.2Å; I208-L217 HydrophobicContact CG1-CD1 4.34Å; I208-L217 HydrophobicContact CG1-CG 4.35Å; I208-I280 HydrophobicContact CG2-CD1 4.33Å; I208-L294 HydrophobicContact CD1-CD1 4.22Å; I208-L294 HydrophobicContact CD1-CD2 4.45Å; I208-V327 HydrophobicContact CD1-CG1 3.62Å; I208-V327 HydrophobicContact CG1-CG1 3.82Å; I208-L328 PolarHBondContact N-O 3.48Å; I208-W329 HydrophobicContact CB-CD2 4.44Å; I208-W329 HydrophobicContact CB-CE3 4.15Å; I208-W329 HydrophobicContact CD1-CE3 3.86Å; I208-W329 HydrophobicContact CD1-CZ3 4.1Å; I208-W329 HydrophobicContact CG2-CD2 4.15Å; I208-W329 HydrophobicContact CG2-CE3 3.87Å; I208-W329 HydrophobicContact CG2-CH2 4.42Å; I208-W329 HydrophobicContact CG2-CZ3 4.03Å; I208-G330 WeakPolarHBondContact O-CA 3.38Å; I208-G330 PolarHBondContact O-N 3.48Å
209	S	96.1	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	168.6	171.8	51.3	0	0	0	0	112.1	C216 M218 H331 R332	S209-C216 PolarHBondContact N-O 3.36Å; S209-C216 PolarHBondContact O-N 3.31Å; S209-M218 WeakPolarHBondContact OG-CE 3.12Å; S209-H331 VanDerWaalsContact CB-O 3.25Å; S209-H331 WeakPolarHBondContact CB-O 3.29Å; S209-H331 PolarHBondContact OG-O 3.35Å; S209-R332 VanDerWaalsContact OG-CG 3.29Å; S209-R332 WeakPolarHBondContact OG-CG 3.27Å
210	M	94.4	Very high	95.5	Very high	36 Å²	36	36.4 Å²	36.4	18%	0.177	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.8	176.5	-68.2	-64.1	-75.9	0	0	110.6	E213 K214 L215 R332 T359 P360 L367	M210-E213 VanDerWaalsContact CE-C 3.42Å; M210-E213 WeakPolarHBondContact CE-O 3.49Å; M210-K214 CarbonylContact C-O 3.55Å; M210-K214 WeakPolarHBondContact CA-O 3.16Å; M210-L215 HydrophobicContact CG-CD1 4.49Å; M210-L215 HydrophobicContact SD-CB 4.26Å; M210-L215 HydrophobicContact SD-CD1 3.93Å; M210-R332 PolarHBondContact O-NH2 3.35Å; M210-T359 HydrophobicContact CG-CG2 4.18Å; M210-P360 HydrophobicContact CG-CG 4.34Å; M210-L367 HydrophobicContact SD-CD1 4.05Å
211	R	93.7	Very high	95.7	Very high	116 Å²	116	36 Å²	36	44%	0.438	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	122.3	171.2	-171.7	172.8	-174.6	171.3	0.4	108.4	E213 K214	R211-E213 VanDerWaalsContact C-N 3.27Å; R211-E213 PolarHBondContact O-N 3.07Å; R211-K214 PolarHBondContact N-O 2.89Å; R211-K214 PolarHBondContact O-N 2.88Å; R211-K214 VanDerWaalsContact O-O 3.12Å
212	D	91.2	Very high	95.7	Very high	140 Å²	140	34 Å²	34	75%	0.749	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	49.6	-178	-53.7	-41.6	0	0	0	112.9	K214	D212-K214 PolarHBondContact O-N 3.33Å
213	E	89	Confident	95.6	Very high	138 Å²	138	33.3 Å²	33.3	65%	0.645	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	13	-178.8	-49.2	-173	142.6	0	0	116.1	M210 R211 K371	M210-E213 VanDerWaalsContact CE-C 3.42Å; M210-E213 WeakPolarHBondContact CE-O 3.49Å; R211-E213 VanDerWaalsContact C-N 3.27Å; R211-E213 PolarHBondContact O-N 3.07Å; E213-K371 WeakPolarHBondContact OE2-CE 3.45Å; E213-K371 IonicContact OE2-NZ 3.35Å; E213-K371 PolarHBondContact OE2-NZ 3.2Å
214	K	92.3	Very high	95.3	Very high	96 Å²	96	37.2 Å²	37.2	42%	0.417	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.1	178	-64.3	169.1	167.3	-156.6	0	110.3	M210 R211 D212 E279	M210-K214 CarbonylContact C-O 3.55Å; M210-K214 WeakPolarHBondContact CA-O 3.16Å; R211-K214 PolarHBondContact N-O 2.89Å; R211-K214 PolarHBondContact O-N 2.88Å; R211-K214 VanDerWaalsContact O-O 3.12Å; D212-K214 PolarHBondContact O-N 3.33Å; K214-E279 HydrophobicContact CB-CG 4.44Å; K214-E279 VanDerWaalsContact CD-CD 3.48Å; K214-E279 HydrophobicContact CD-CG 4.12Å; K214-E279 WeakPolarHBondContact CD-OE1 3.49Å; K214-E279 VanDerWaalsContact CE-OE1 3.31Å; K214-E279 WeakPolarHBondContact CE-OE1 3.47Å; K214-E279 IonicContact NZ-OE1 3.34Å; K214-E279 PolarHBondContact NZ-OE1 3.36Å; K214-E279 IonicContact NZ-OE2 2.89Å; K214-E279 PolarHBondContact NZ-OE2 2.9Å
215	L	95.1	Very high	94.9	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.1	175	-163.5	72.5	0	0	0	108.9	I208 M210 I280 W329 T359 A364	I208-L215 HydrophobicContact CG2-CD1 3.77Å; I208-L215 HydrophobicContact CG2-CD2 4.01Å; I208-L215 HydrophobicContact CG2-CG 3.73Å; M210-L215 HydrophobicContact CG-CD1 4.49Å; M210-L215 HydrophobicContact SD-CB 4.26Å; M210-L215 HydrophobicContact SD-CD1 3.93Å; L215-I280 HydrophobicContact CB-CB 4.49Å; L215-I280 HydrophobicContact CB-CD1 4.45Å; L215-I280 HydrophobicContact CD2-CD1 3.89Å; L215-I280 HydrophobicContact CG-CD1 4.01Å; L215-I280 VanDerWaalsContact O-CB 3.29Å; L215-I280 WeakPolarHBondContact O-CB 3.43Å; L215-I280 WeakPolarHBondContact O-CG1 3.4Å; L215-I280 PolarHBondContact O-N 2.89Å; L215-W329 HydrophobicContact CD1-CZ2 4.33Å; L215-W329 HydrophobicContact CD2-CH2 3.56Å; L215-W329 HydrophobicContact CD2-CZ2 3.95Å; L215-W329 HydrophobicContact CD2-CZ3 4.28Å; L215-T359 HydrophobicContact CD1-CG2 3.98Å; L215-A364 HydrophobicContact CB-CB 4.35Å; L215-A364 HydrophobicContact CD2-CB 4.17Å
216	C	96.6	Very high	94.4	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.3	-175.1	-65.6	0	0	0	0	111.4	I208 S209 M218 H278	I208-C216 WeakPolarHBondContact CA-O 3.47Å; S209-C216 PolarHBondContact N-O 3.36Å; S209-C216 PolarHBondContact O-N 3.31Å; C216-M218 HydrophobicContact CB-CE 4.39Å; C216-M218 HydrophobicContact CB-CG 4.26Å; C216-H278 CarbonylContact C-O 3.56Å; C216-H278 VanDerWaalsContact CA-O 3.25Å; C216-H278 WeakPolarHBondContact CA-O 2.89Å
217	L	97.3	Very high	94	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.4	167	179.8	146.6	0	0	0	108.8	I208 F219 H278 I280 F286 V327	I208-L217 HydrophobicContact CD1-CD1 4.37Å; I208-L217 HydrophobicContact CG1-CB 4.2Å; I208-L217 HydrophobicContact CG1-CD1 4.34Å; I208-L217 HydrophobicContact CG1-CG 4.35Å; L217-F219 HydrophobicContact CD2-CD1 4.3Å; L217-H278 HydrophobicContact CB-CB 4.34Å; L217-H278 PolarHBondContact N-O 2.84Å; L217-H278 PolarHBondContact O-N 3.18Å; L217-I280 HydrophobicContact CB-CD1 4.43Å; L217-F286 HydrophobicContact CD1-CD2 4.42Å; L217-F286 HydrophobicContact CD1-CE1 4.42Å; L217-F286 HydrophobicContact CD1-CE2 3.99Å; L217-F286 HydrophobicContact CD1-CZ 3.99Å; L217-V327 HydrophobicContact CD1-CG1 4.49Å
218	M	97.9	Very high	93.6	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.059	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.9	-171.1	-68.5	175.8	-78.1	0	0	111.8	A206 V207 S209 C216 I275 I276 F333	A206-M218 CarbonylContact C-O 3.54Å; A206-M218 VanDerWaalsContact CA-O 3.3Å; A206-M218 WeakPolarHBondContact CA-O 3.08Å; V207-M218 HydrophobicContact CG2-CB 3.9Å; V207-M218 HydrophobicContact CG2-CE 4.26Å; V207-M218 PolarHBondContact N-O 3.45Å; V207-M218 PolarHBondContact O-N 3.11Å; S209-M218 WeakPolarHBondContact OG-CE 3.12Å; C216-M218 HydrophobicContact CB-CE 4.39Å; C216-M218 HydrophobicContact CB-CG 4.26Å; M218-I275 HydrophobicContact CB-CG2 3.77Å; M218-I275 HydrophobicContact CG-CG2 4.02Å; M218-I275 HydrophobicContact SD-CG2 4.07Å; M218-I276 WeakPolarHBondContact CA-O 3.31Å; M218-F333 HydrophobicContact CB-CE2 4.3Å
219	F	97.9	Very high	93.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.7	168.6	58.6	-89.8	0	0	0	109.7	A206 L217 I234 V259 I276 V303 Y322	A206-F219 HydrophobicContact CB-CB 4.35Å; L217-F219 HydrophobicContact CD2-CD1 4.3Å; F219-I234 HydrophobicContact CE2-CD1 4.12Å; F219-I234 HydrophobicContact CE2-CG1 4.17Å; F219-I234 HydrophobicContact CZ-CD1 4.43Å; F219-I234 HydrophobicContact CZ-CG1 4.09Å; F219-V259 HydrophobicContact CE1-CG1 4.46Å; F219-I276 HydrophobicContact CD1-CB 4.47Å; F219-I276 HydrophobicContact CD2-CB 4.07Å; F219-I276 HydrophobicContact CD2-CG1 4.2Å; F219-I276 HydrophobicContact CE1-CB 4.08Å; F219-I276 HydrophobicContact CE1-CG2 3.95Å; F219-I276 HydrophobicContact CE2-CB 3.64Å; F219-I276 HydrophobicContact CE2-CG1 3.69Å; F219-I276 HydrophobicContact CE2-CG2 4.02Å; F219-I276 HydrophobicContact CG-CB 4.46Å; F219-I276 HydrophobicContact CZ-CB 3.65Å; F219-I276 HydrophobicContact CZ-CG1 4.12Å; F219-I276 HydrophobicContact CZ-CG2 3.53Å; F219-I276 PolarHBondContact N-O 2.73Å; F219-I276 PolarHBondContact O-N 3.3Å; F219-V303 HydrophobicContact CD1-CG1 4.08Å; F219-V303 HydrophobicContact CD2-CG1 4.22Å; F219-V303 HydrophobicContact CE1-CG1 3.65Å; F219-V303 HydrophobicContact CE2-CB 4.08Å; F219-V303 HydrophobicContact CE2-CG1 3.8Å; F219-V303 HydrophobicContact CG-CG1 4.35Å; F219-V303 HydrophobicContact CZ-CB 4.1Å; F219-V303 HydrophobicContact CZ-CG1 3.49Å; F219-V303 VanDerWaalsContact CZ-CG1 3.49Å; F219-Y322 HydrophobicContact CB-CE2 3.89Å; F219-Y322 WeakPolarHBondContact CB-OH 3.44Å; F219-Y322 HydrophobicContact CD2-CE2 4.47Å; F219-Y322 HydrophobicContact CG-CE2 4.07Å
220	R	97.7	Very high	93.2	Very high	6 Å²	6	53.7 Å²	53.7	2%	0.023	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.9	-178.8	-175.4	178.7	-76.9	168.4	-17.1	110.6	F202 S203 P273 L274 F333 T334 T350 F351	F202-R220 CarbonylContact C-O 3.56Å; F202-R220 WeakPolarHBondContact CA-O 3.44Å; S203-R220 PolarHBondContact N-O 2.87Å; S203-R220 PolarHBondContact OG-N 3.14Å; S203-R220 PolarHBondContact OG-O 3.32Å; R220-P273 HydrophobicContact CG-CB 4.18Å; R220-L274 WeakPolarHBondContact CA-O 3.41Å; R220-F333 HydrophobicContact CB-CD1 4.43Å; R220-F333 HydrophobicContact CB-CE1 4.19Å; R220-F333 HydrophobicContact CB-CE2 4.35Å; R220-F333 HydrophobicContact CB-CZ 4.16Å; R220-F333 VanDerWaalsContact NH2-CB 3.26Å; R220-T334 PolarHBondContact NH1-O 3.36Å; R220-T334 PolarHBondContact NH2-O 2.88Å; R220-T350 PolarHBondContact NH1-O 3.21Å; R220-F351 HydrophobicContact CB-CZ 4.43Å; R220-F351 WeakPolarHBondContact CD-O 3.39Å; R220-F351 HydrophobicContact CG-CD2 4.29Å; R220-F351 HydrophobicContact CG-CE1 4.5Å; R220-F351 HydrophobicContact CG-CE2 3.71Å; R220-F351 HydrophobicContact CG-CZ 3.82Å; R220-F351 PolarHBondContact NH1-O 3.07Å
221	V	96.9	Very high	93.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.6	173.1	66.7	0	0	0	0	109.5	M201 F202 L268 L270 P273 L274 I276 L305	M201-V221 CarbonylContact O-C 3.51Å; M201-V221 WeakPolarHBondContact O-CA 3.45Å; F202-V221 HydrophobicContact CD1-CB 4.39Å; F202-V221 HydrophobicContact CD1-CG2 4.11Å; F202-V221 HydrophobicContact CE1-CG2 3.95Å; V221-L268 HydrophobicContact CG1-CD1 4.19Å; V221-L270 HydrophobicContact CG1-CD1 4Å; V221-L270 HydrophobicContact CG2-CD2 4.34Å; V221-P273 CarbonylContact O-C 3.53Å; V221-P273 VanDerWaalsContact O-CA 3.24Å; V221-P273 WeakPolarHBondContact O-CA 3.42Å; V221-L274 HydrophobicContact CG1-CB 4.3Å; V221-L274 PolarHBondContact N-O 3.13Å; V221-L274 PolarHBondContact O-N 2.9Å; V221-I276 HydrophobicContact CG1-CD1 3.84Å; V221-I276 HydrophobicContact CG1-CG1 3.81Å; V221-L305 HydrophobicContact CG2-CD2 3.8Å
222	G	94.9	Very high	93.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.4	178.7	0	0	0	0	0	112.6	M201	M201-G222 PolarHBondContact N-O 2.97Å; M201-G222 PolarHBondContact O-N 2.96Å
223	D	94.4	Very high	93.4	Very high	4 Å²	4	48 Å²	48	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.8	170.1	-170.6	-3.9	0	0	0	109	L200 R225 L270 Y348	L200-D223 HydrophobicContact CD2-CB 3.87Å; D223-R225 PolarHBondContact O-N 3.33Å; D223-R225 PolarHBondContact OD1-N 3.46Å; D223-L270 HydrophobicContact CB-CD2 4.24Å; D223-L270 HydrophobicContact CB-CG 4.42Å; D223-Y348 PolarHBondContact O-OH 2.78Å
224	L	90.3	Very high	93.8	Very high	83 Å²	83	41.5 Å²	41.5	44%	0.435	20%	0.203	S	C	.	.	S	Bend	trans	-70.3	-14.9	177.5	-72.3	170.4	0	0	0	113	T199 M201 Y348	T199-L224 WeakPolarHBondContact O-CB 3.25Å; T199-L224 PolarHBondContact O-N 3.3Å; T199-L224 VanDerWaalsContact O-N 3.14Å; M201-L224 HydrophobicContact CE-CD1 4.3Å; M201-L224 HydrophobicContact CE-CD2 3.54Å; M201-L224 HydrophobicContact CE-CG 3.89Å; M201-L224 HydrophobicContact CG-CD1 3.86Å; M201-L224 HydrophobicContact CG-CG 4.04Å; M201-L224 HydrophobicContact SD-CD1 3.64Å; M201-L224 HydrophobicContact SD-CD2 3.99Å; M201-L224 HydrophobicContact SD-CG 3.91Å; L224-Y348 HydrophobicContact CD2-CD1 3.9Å; L224-Y348 HydrophobicContact CD2-CD2 4.33Å; L224-Y348 HydrophobicContact CD2-CE1 3.88Å; L224-Y348 HydrophobicContact CD2-CE2 4.3Å; L224-Y348 HydrophobicContact CD2-CG 4.13Å
225	R	88.9	Confident	94	Very high	149 Å²	149	42.6 Å²	42.6	56%	0.562	21%	0.205	S	C	*	.	S	Bend	trans	-102.2	147	-174.2	-163.9	171.2	172.9	164.6	0.3	111.1	D223 S227	D223-R225 PolarHBondContact O-N 3.33Å; D223-R225 PolarHBondContact OD1-N 3.46Å; R225-S227 WeakPolarHBondContact CD-OG 3.32Å; R225-S227 WeakPolarHBondContact CG-OG 3.41Å; R225-S227 PolarHBondContact NE-OG 3.32Å; R225-S227 PolarHBondContact O-N 3.46Å
226	N	85.1	Confident	94.1	Very high	159 Å²	159	42.4 Å²	42.4	85%	0.85	20%	0.204	S	C	*	.	S	Bend	trans	-71.6	-14.2	175.5	-63.8	-20.7	0	0	0	114.1
227	S	89.8	Confident	94.1	Very high	21 Å²	21	44.9 Å²	44.9	15%	0.147	21%	0.214	C	C	.	.	S	Bend	trans	-80.8	141.9	178.1	59.6	0	0	0	0	110.7	R196 R225 E310	R196-S227 PolarHBondContact NH2-O 2.86Å; R196-S227 PolarHBondContact NH2-OG 2.88Å; R225-S227 WeakPolarHBondContact CD-OG 3.32Å; R225-S227 WeakPolarHBondContact CG-OG 3.41Å; R225-S227 PolarHBondContact NE-OG 3.32Å; R225-S227 PolarHBondContact O-N 3.46Å; S227-E310 WeakPolarHBondContact CA-OE2 3.4Å; S227-E310 WeakPolarHBondContact CB-OE2 3.31Å
228	H	89.2	Confident	94	Very high	79 Å²	79	45.3 Å²	45.3	37%	0.366	22%	0.216	S	C	.	.			trans	-82.5	145.6	-172.3	-60.7	-60.7	0	0	0	113.5	R196 E310	R196-H228 PolarHBondContact NH2-O 2.9Å; H228-E310 PolarHBondContact N-OE2 3.24Å; H228-E310 WeakPolarHBondContact O-CB 3.46Å
229	I	92.4	Very high	93.9	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.7	163.5	-56.3	-70.5	0	0	0	107.1	R196 L200 A232	R196-I229 HydrophobicContact CG-CD1 4.42Å; R196-I229 VanDerWaalsContact NE-CD1 3.3Å; R196-I229 VanDerWaalsContact NH2-CD1 3.35Å; L200-I229 HydrophobicContact CD1-CD1 4.21Å; L200-I229 HydrophobicContact CD2-CD1 4.3Å; L200-I229 HydrophobicContact CD2-CG1 4.02Å; I229-A232 HydrophobicContact CB-CB 4.2Å; I229-A232 HydrophobicContact CG2-CB 3.81Å
230	V	92.4	Very high	93.7	Very high	63 Å²	63	48.3 Å²	48.3	38%	0.382	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.3	-178.6	-178.3	0	0	0	0	108.8	A232 M308 E310	V230-A232 PolarHBondContact O-N 2.92Å; V230-M308 HydrophobicContact CB-CB 4.2Å; V230-M308 HydrophobicContact CG1-CE 4.16Å; V230-M308 PolarHBondContact N-O 2.93Å; V230-M308 PolarHBondContact O-N 3.2Å; V230-E310 HydrophobicContact CG2-CB 4.31Å
231	E	92.5	Very high	93.4	Very high	152 Å²	152	50.9 Å²	50.9	71%	0.71	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	52	42.4	-176.5	-64.4	-179.3	176.2	0	0	112.8	S233 M308	E231-S233 PolarHBondContact O-N 3.01Å; E231-M308 HydrophobicContact CB-CE 4.05Å; E231-M308 VanDerWaalsContact CD-CE 3.46Å; E231-M308 HydrophobicContact CG-CE 3.93Å; E231-M308 WeakPolarHBondContact OE2-CE 3.45Å
232	A	95.1	Very high	93.1	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	128.6	175.2	0	0	0	0	0	109.9	I229 V230 R267 L268 E306	I229-A232 HydrophobicContact CB-CB 4.2Å; I229-A232 HydrophobicContact CG2-CB 3.81Å; V230-A232 PolarHBondContact O-N 2.92Å; A232-R267 CarbonylContact O-C 3.6Å; A232-R267 WeakPolarHBondContact O-CA 3.32Å; A232-L268 HydrophobicContact CB-CB 4.03Å; A232-L268 PolarHBondContact O-N 3.28Å; A232-E306 CarbonylContact C-O 3.53Å; A232-E306 VanDerWaalsContact CA-O 3.29Å; A232-E306 WeakPolarHBondContact CA-O 3.2Å
233	S	96.2	Very high	93	Very high	20 Å²	20	63.3 Å²	63.3	14%	0.14	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.7	176.4	62	0	0	0	0	110.6	E231 D266 E306	E231-S233 PolarHBondContact O-N 3.01Å; S233-D266 CarbonylContact C-O 3.48Å; S233-D266 VanDerWaalsContact CA-O 3.29Å; S233-D266 WeakPolarHBondContact CA-O 3.35Å; S233-E306 PolarHBondContact N-O 3.31Å; S233-E306 PolarHBondContact O-N 3.36Å
234	I	97	Very high	93	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.2	179.9	-169.5	75.9	0	0	0	110.8	F202 F219 V259 D266 L268 I276 I304 L305	F202-I234 HydrophobicContact CE1-CD1 4.19Å; F219-I234 HydrophobicContact CE2-CD1 4.12Å; F219-I234 HydrophobicContact CE2-CG1 4.17Å; F219-I234 HydrophobicContact CZ-CD1 4.43Å; F219-I234 HydrophobicContact CZ-CG1 4.09Å; I234-V259 HydrophobicContact CG2-CG2 4Å; I234-V259 WeakPolarHBondContact O-CG2 3.33Å; I234-D266 PolarHBondContact N-O 2.95Å; I234-L268 HydrophobicContact CB-CD1 3.98Å; I234-L268 HydrophobicContact CB-CG 4.42Å; I234-L268 HydrophobicContact CG2-CD1 4.11Å; I234-L268 HydrophobicContact CG2-CD2 4.03Å; I234-L268 HydrophobicContact CG2-CG 4.16Å; I234-I276 HydrophobicContact CG1-CG1 4.34Å; I234-I276 HydrophobicContact CG1-CG2 4.37Å; I234-I276 HydrophobicContact CG2-CD1 4.22Å; I234-I276 HydrophobicContact CG2-CG2 4.1Å; I234-I304 WeakPolarHBondContact CD1-O 3.3Å; I234-L305 HydrophobicContact CB-CD1 4.39Å; I234-L305 HydrophobicContact CD1-CB 3.87Å; I234-L305 HydrophobicContact CD1-CD1 4.13Å
235	R	96.4	Very high	93.1	Very high	118 Å²	118	70.7 Å²	70.7	45%	0.445	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149	174.2	-52.5	-174.5	-154.8	-173	13.1	109.8	I304 E306	R235-I304 PolarHBondContact N-O 3.27Å; R235-I304 PolarHBondContact O-N 3.08Å; R235-E306 IonicContact CZ-OE2 2.76Å; R235-E306 IonicContact NE-OE2 2.8Å; R235-E306 IonicContact NH2-OE2 3.45Å; R235-E306 PolarHBondContact NH2-OE2 2.97Å
236	A	96.9	Very high	93.4	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.5	177.2	0	0	0	0	0	110.3	I257 V259 V302 V303	A236-I257 HydrophobicContact CB-CB 3.99Å; A236-I257 HydrophobicContact CB-CD1 4.37Å; A236-I257 PolarHBondContact O-N 3.37Å; A236-V259 HydrophobicContact CB-CG1 4.01Å; A236-V302 CarbonylContact C-O 3.6Å; A236-V302 WeakPolarHBondContact CA-O 3.41Å; A236-V303 HydrophobicContact CB-CG1 4.24Å
237	K	96.6	Very high	93.8	Very high	60 Å²	60	65.7 Å²	65.7	26%	0.261	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.1	177.4	-64.4	-164.9	179.3	-59	0	110	Q254 T255 D256 V301 V302	K237-Q254 HydrophobicContact CD-CB 4.48Å; K237-T255 CarbonylContact C-O 3.42Å; K237-T255 WeakPolarHBondContact CA-O 3.27Å; K237-D256 IonicContact NZ-OD1 2.65Å; K237-D256 PolarHBondContact NZ-OD1 3.48Å; K237-V301 CarbonylContact O-C 3.52Å; K237-V302 PolarHBondContact N-O 3.45Å; K237-V302 PolarHBondContact O-N 3.13Å
238	L	96.3	Very high	94.1	Very high	12 Å²	12	70.8 Å²	70.8	6%	0.063	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.7	166	-177.4	67.2	0	0	0	108.8	K240 Q254 T255 I257 P285 F286 F299 V301	L238-K240 HydrophobicContact CG-CB 4.49Å; L238-Q254 WeakPolarHBondContact O-CA 3.42Å; L238-T255 WeakPolarHBondContact CB-OG1 3.46Å; L238-T255 PolarHBondContact N-O 2.99Å; L238-T255 PolarHBondContact O-N 2.92Å; L238-I257 HydrophobicContact CB-CD1 3.94Å; L238-I257 HydrophobicContact CB-CG1 4.08Å; L238-P285 HydrophobicContact CD2-CB 3.32Å; L238-P285 HydrophobicContact CD2-CG 3.87Å; L238-F286 HydrophobicContact CD1-CE1 4.48Å; L238-F286 HydrophobicContact CD1-CZ 3.83Å; L238-F299 HydrophobicContact CD1-CB 3.76Å; L238-F299 HydrophobicContact CD1-CD2 3.66Å; L238-F299 HydrophobicContact CD1-CG 4.01Å; L238-V301 HydrophobicContact CD1-CG2 4.01Å
239	I	95.4	Very high	94.3	Very high	8 Å²	8	73 Å²	73	4%	0.041	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115	171.9	-53.6	-170.7	0	0	0	107.6	Y53 L252 N253 Q254 E300 V302	Y53-I239 HydrophobicContact CD1-CD1 3.42Å; Y53-I239 VanDerWaalsContact CD1-CD1 3.42Å; Y53-I239 HydrophobicContact CE1-CD1 3.86Å; Y53-I239 HydrophobicContact CG-CD1 4.01Å; I239-L252 HydrophobicContact CG2-CB 4Å; I239-L252 HydrophobicContact CG2-CD2 3.7Å; I239-L252 HydrophobicContact CG2-CG 4.41Å; I239-N253 WeakPolarHBondContact CA-O 3.39Å; I239-Q254 HydrophobicContact CG1-CG 4.3Å; I239-E300 HydrophobicContact CB-CB 4.44Å; I239-E300 PolarHBondContact N-O 3.17Å; I239-E300 PolarHBondContact O-N 3.47Å; I239-V302 HydrophobicContact CD1-CB 4.33Å; I239-V302 HydrophobicContact CD1-CG2 3.45Å; I239-V302 VanDerWaalsContact CD1-CG2 3.45Å; I239-V302 HydrophobicContact CG1-CG2 4.08Å
240	K	93	Very high	94.4	Very high	66 Å²	66	74.2 Å²	74.2	29%	0.287	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143.4	177.4	176.2	170.5	171.4	177.9	0	109.6	L238 N253 E297 F299	L238-K240 HydrophobicContact CG-CB 4.49Å; K240-N253 PolarHBondContact N-O 3Å; K240-N253 VanDerWaalsContact N-O 3.15Å; K240-N253 VanDerWaalsContact O-CB 3.3Å; K240-N253 WeakPolarHBondContact O-CB 3.5Å; K240-N253 PolarHBondContact O-N 3.17Å; K240-E297 VanDerWaalsContact CE-OE2 3.31Å; K240-E297 WeakPolarHBondContact CE-OE2 3.46Å; K240-E297 IonicContact NZ-OE1 3.81Å; K240-E297 PolarHBondContact NZ-OE1 3.3Å; K240-E297 IonicContact NZ-OE2 3.55Å; K240-E297 PolarHBondContact NZ-OE2 2.88Å; K240-F299 HydrophobicContact CB-CB 4.28Å; K240-F299 HydrophobicContact CD-CB 4.4Å
241	S	91.6	Very high	94.2	Very high	61 Å²	61	74.9 Å²	74.9	43%	0.427	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.4	171.6	-51.5	0	0	0	0	109.9	I250 P251	S241-I250 WeakPolarHBondContact CA-O 3.48Å; S241-P251 VanDerWaalsContact CA-O 3.29Å; S241-P251 WeakPolarHBondContact CA-O 3.47Å; S241-P251 VanDerWaalsContact CB-O 3.29Å; S241-P251 WeakPolarHBondContact CB-O 3.16Å; S241-P251 PolarHBondContact OG-O 2.92Å
242	R	89.8	Confident	94.1	Very high	121 Å²	121	71.8 Å²	71.8	46%	0.457	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.6	175	77	175.3	-178.5	-175.5	1.9	111.3	I250 N253	R242-I250 HydrophobicContact CG-CB 4.14Å; R242-I250 HydrophobicContact CG-CD1 4.25Å; R242-I250 PolarHBondContact N-O 3.43Å; R242-I250 PolarHBondContact O-N 2.84Å; R242-N253 WeakPolarHBondContact CD-ND2 3.4Å; R242-N253 HydrophobicContact CG-CB 3.8Å; R242-N253 VanDerWaalsContact CZ-OD1 3.26Å; R242-N253 PolarHBondContact NE-ND2 2.94Å; R242-N253 PolarHBondContact NE-OD1 3.4Å; R242-N253 PolarHBondContact NH1-ND2 3.03Å; R242-N253 PolarHBondContact NH2-OD1 2.74Å
243	Q	93.6	Very high	94.1	Very high	139 Å²	139	73 Å²	73	65%	0.65	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.4	166.2	-166.5	171.4	19.3	0	0	109	G247 E248	Q243-G247 PolarHBondContact NE2-O 3.34Å; Q243-E248 CarbonylContact C-O 3.47Å; Q243-E248 VanDerWaalsContact CA-O 3.31Å; Q243-E248 WeakPolarHBondContact CA-O 3.46Å
244	T	94.3	Very high	94	Very high	30 Å²	30	76.6 Å²	76.6	18%	0.184	37%	0.372	C	S	.	.			trans	-75.3	165.1	176.8	70.7	0	0	0	0	110.8	E246 G247 E248 I250	T244-E246 VanDerWaalsContact CB-OE2 3.25Å; T244-E246 WeakPolarHBondContact CB-OE2 3.3Å; T244-E246 PolarHBondContact O-N 3.32Å; T244-E246 PolarHBondContact OG1-OE2 3.19Å; T244-G247 PolarHBondContact O-N 3.06Å; T244-G247 PolarHBondContact OG1-N 2.7Å; T244-E248 HydrophobicContact CG2-CB 4.13Å; T244-E248 PolarHBondContact N-O 2.71Å; T244-E248 WeakPolarHBondContact OG1-CB 3.36Å; T244-E248 PolarHBondContact OG1-N 3.44Å; T244-I250 HydrophobicContact CG2-CD1 3.94Å
245	K	92.6	Very high	93.9	Very high	212 Å²	212	78.7 Å²	78.7	92%	0.922	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.6	177.7	-66.3	-177.4	-179.9	178.9	0	111.7	G247	K245-G247 VanDerWaalsContact C-N 3.25Å
246	E	95.3	Very high	93.9	Very high	163 Å²	163	77.1 Å²	77.1	76%	0.762	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.6	176.9	-56.4	71.9	-155.3	0	0	112.4	T244	T244-E246 VanDerWaalsContact CB-OE2 3.25Å; T244-E246 WeakPolarHBondContact CB-OE2 3.3Å; T244-E246 PolarHBondContact O-N 3.32Å; T244-E246 PolarHBondContact OG1-OE2 3.19Å
247	G	93.5	Very high	93.8	Very high	41 Å²	41	77.2 Å²	77.2	42%	0.423	39%	0.385	S	S	.	.			trans	98.5	0.7	174.8	0	0	0	0	0	115.5	Q243 T244 K245 F249	Q243-G247 PolarHBondContact NE2-O 3.34Å; T244-G247 PolarHBondContact O-N 3.06Å; T244-G247 PolarHBondContact OG1-N 2.7Å; K245-G247 VanDerWaalsContact C-N 3.25Å; G247-F249 PolarHBondContact O-N 2.91Å
248	E	95.2	Very high	93.8	Very high	127 Å²	127	76.8 Å²	76.8	59%	0.593	39%	0.386	S	S	*	.			trans	-70.4	125.7	177.7	-174.6	-174	-172.6	0	0	110.7	Q243 T244 I250	Q243-E248 CarbonylContact C-O 3.47Å; Q243-E248 VanDerWaalsContact CA-O 3.31Å; Q243-E248 WeakPolarHBondContact CA-O 3.46Å; T244-E248 HydrophobicContact CG2-CB 4.13Å; T244-E248 PolarHBondContact N-O 2.71Å; T244-E248 WeakPolarHBondContact OG1-CB 3.36Å; T244-E248 PolarHBondContact OG1-N 3.44Å; E248-I250 HydrophobicContact CG-CG1 4.38Å
249	F	94.2	Very high	93.8	Very high	126 Å²	126	76.9 Å²	76.9	55%	0.553	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.4	174.9	179.6	-102.6	0	0	0	110.9	G247 P251	G247-F249 PolarHBondContact O-N 2.91Å; F249-P251 HydrophobicContact CD1-CG 4.06Å; F249-P251 HydrophobicContact CE1-CB 4.01Å; F249-P251 HydrophobicContact CE1-CG 3.81Å
250	I	93.6	Very high	93.6	Very high	37 Å²	37	77 Å²	77	19%	0.19	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.5	178.2	-58.5	166.3	0	0	0	108	S241 R242 T244 E248 L252 N253	S241-I250 WeakPolarHBondContact CA-O 3.48Å; R242-I250 HydrophobicContact CG-CB 4.14Å; R242-I250 HydrophobicContact CG-CD1 4.25Å; R242-I250 PolarHBondContact N-O 3.43Å; R242-I250 PolarHBondContact O-N 2.84Å; T244-I250 HydrophobicContact CG2-CD1 3.94Å; E248-I250 HydrophobicContact CG-CG1 4.38Å; I250-L252 PolarHBondContact O-N 3.05Å; I250-N253 HydrophobicContact CB-CB 4.3Å; I250-N253 HydrophobicContact CG2-CB 3.7Å
251	P	89.3	Confident	93.6	Very high	76 Å²	76	81 Å²	81	49%	0.494	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-43.1	-169.9	-24.2	32.1	0	0	0	115.1	S241 F249	S241-P251 VanDerWaalsContact CA-O 3.29Å; S241-P251 WeakPolarHBondContact CA-O 3.47Å; S241-P251 VanDerWaalsContact CB-O 3.29Å; S241-P251 WeakPolarHBondContact CB-O 3.16Å; S241-P251 PolarHBondContact OG-O 2.92Å; F249-P251 HydrophobicContact CD1-CG 4.06Å; F249-P251 HydrophobicContact CE1-CB 4.01Å; F249-P251 HydrophobicContact CE1-CG 3.81Å
252	L	90.2	Very high	93.5	Very high	88 Å²	88	83.9 Å²	83.9	46%	0.461	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	66.8	-177	-66.6	173.3	0	0	0	108.8	Y53 I239 I250 Q254	Y53-L252 HydrophobicContact CD2-CD1 3.66Å; Y53-L252 HydrophobicContact CE2-CD1 3.9Å; I239-L252 HydrophobicContact CG2-CB 4Å; I239-L252 HydrophobicContact CG2-CD2 3.7Å; I239-L252 HydrophobicContact CG2-CG 4.41Å; I250-L252 PolarHBondContact O-N 3.05Å; L252-Q254 PolarHBondContact O-N 2.91Å
253	N	94.8	Very high	93.6	Very high	26 Å²	26	82.8 Å²	82.8	14%	0.139	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.4	179.4	-174.9	66.7	0	0	0	109.6	I239 K240 R242 I250 T255	I239-N253 WeakPolarHBondContact CA-O 3.39Å; K240-N253 PolarHBondContact N-O 3Å; K240-N253 VanDerWaalsContact N-O 3.15Å; K240-N253 VanDerWaalsContact O-CB 3.3Å; K240-N253 WeakPolarHBondContact O-CB 3.5Å; K240-N253 PolarHBondContact O-N 3.17Å; R242-N253 WeakPolarHBondContact CD-ND2 3.4Å; R242-N253 HydrophobicContact CG-CB 3.8Å; R242-N253 VanDerWaalsContact CZ-OD1 3.26Å; R242-N253 PolarHBondContact NE-ND2 2.94Å; R242-N253 PolarHBondContact NE-OD1 3.4Å; R242-N253 PolarHBondContact NH1-ND2 3.03Å; R242-N253 PolarHBondContact NH2-OD1 2.74Å; I250-N253 HydrophobicContact CB-CB 4.3Å; I250-N253 HydrophobicContact CG2-CB 3.7Å; N253-T255 VanDerWaalsContact ND2-CG2 3.31Å; N253-T255 WeakPolarHBondContact ND2-CG2 2.76Å
254	Q	95	Very high	93.6	Very high	96 Å²	96	76.9 Å²	76.9	45%	0.449	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.8	-179.2	-57.6	-177.9	14.4	0	0	109	K237 L238 I239 L252	K237-Q254 HydrophobicContact CD-CB 4.48Å; L238-Q254 WeakPolarHBondContact O-CA 3.42Å; I239-Q254 HydrophobicContact CG1-CG 4.3Å; L252-Q254 PolarHBondContact O-N 2.91Å
255	T	94.9	Very high	93.5	Very high	45 Å²	45	80.8 Å²	80.8	28%	0.276	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.6	173.2	55.1	0	0	0	0	109.9	K237 L238 N253	K237-T255 CarbonylContact C-O 3.42Å; K237-T255 WeakPolarHBondContact CA-O 3.27Å; L238-T255 WeakPolarHBondContact CB-OG1 3.46Å; L238-T255 PolarHBondContact N-O 2.99Å; L238-T255 PolarHBondContact O-N 2.92Å; N253-T255 VanDerWaalsContact ND2-CG2 3.31Å; N253-T255 WeakPolarHBondContact ND2-CG2 2.76Å
256	D	95.6	Very high	93.6	Very high	85 Å²	85	71.5 Å²	71.5	46%	0.455	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.1	179.9	-151.8	70.1	0	0	0	111.3	K237	K237-D256 IonicContact NZ-OD1 2.65Å; K237-D256 PolarHBondContact NZ-OD1 3.48Å
257	I	95.9	Very high	93.6	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.01	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.7	175.9	-61.6	168.7	0	0	0	107.3	A236 L238 V259 H278 F286 V301	A236-I257 HydrophobicContact CB-CB 3.99Å; A236-I257 HydrophobicContact CB-CD1 4.37Å; A236-I257 PolarHBondContact O-N 3.37Å; L238-I257 HydrophobicContact CB-CD1 3.94Å; L238-I257 HydrophobicContact CB-CG1 4.08Å; I257-V259 HydrophobicContact CG2-CG1 4.46Å; I257-V259 PolarHBondContact O-N 3.16Å; I257-H278 HydrophobicContact CG2-CB 3.88Å; I257-H278 VanDerWaalsContact CG2-ND1 3.35Å; I257-H278 WeakPolarHBondContact CG2-ND1 3.25Å; I257-F286 HydrophobicContact CD1-CE2 3.98Å; I257-V301 HydrophobicContact CD1-CG1 3.77Å; I257-V301 HydrophobicContact CD1-CG2 4.15Å
258	N	95.9	Very high	93.7	Very high	52 Å²	52	71.4 Å²	71.4	28%	0.278	36%	0.363	S	S	.	.			trans	-71.2	112	-178.2	-172.6	-4.1	0	0	0	111.7	G260 F261 D262 H278	N258-G260 PolarHBondContact OD1-N 2.98Å; N258-F261 PolarHBondContact OD1-N 3.44Å; N258-D262 PolarHBondContact ND2-OD2 3.26Å; N258-H278 PolarHBondContact O-ND1 3.35Å
259	V	95.7	Very high	93.6	Very high	14 Å²	14	73.3 Å²	73.3	9%	0.085	37%	0.37	C	S	.	.	S	Bend	trans	-112.2	19.9	178.2	-69.3	0	0	0	0	112.6	F219 I234 A236 I257 I276 H278	F219-V259 HydrophobicContact CE1-CG1 4.46Å; I234-V259 HydrophobicContact CG2-CG2 4Å; I234-V259 WeakPolarHBondContact O-CG2 3.33Å; A236-V259 HydrophobicContact CB-CG1 4.01Å; I257-V259 HydrophobicContact CG2-CG1 4.46Å; I257-V259 PolarHBondContact O-N 3.16Å; V259-I276 HydrophobicContact CB-CG2 3.84Å; V259-I276 HydrophobicContact CG1-CG2 3.98Å; V259-H278 HydrophobicContact CG1-CB 4.23Å
260	G	92.5	Very high	93.6	Very high	11 Å²	11	67.6 Å²	67.6	11%	0.113	35%	0.345	C	S	.	.	S	Bend	trans	125.3	13	-178.3	0	0	0	0	0	115	N258 D262 T263 G264 D265 D266	N258-G260 PolarHBondContact OD1-N 2.98Å; G260-D262 VanDerWaalsContact C-N 3.34Å; G260-D262 PolarHBondContact O-N 3.38Å; G260-T263 PolarHBondContact O-N 3.25Å; G260-T263 PolarHBondContact O-OG1 2.86Å; G260-G264 CarbonylContact O-C 3.59Å; G260-G264 WeakPolarHBondContact O-CA 3.16Å; G260-G264 PolarHBondContact O-N 3.38Å; G260-D265 PolarHBondContact O-N 2.92Å; G260-D266 PolarHBondContact O-N 2.91Å
261	F	91.8	Very high	93.5	Very high	148 Å²	148	69.2 Å²	69.2	65%	0.649	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-38	-176	-178.3	-99.6	0	0	0	112.7	N258 T263	N258-F261 PolarHBondContact OD1-N 3.44Å; F261-T263 PolarHBondContact O-N 3.45Å
262	D	90.6	Very high	93.7	Very high	123 Å²	123	67.3 Å²	67.3	66%	0.658	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-31.1	-177.4	-63.2	-38	0	0	0	112.7	N258 G260	N258-D262 PolarHBondContact ND2-OD2 3.26Å; G260-D262 VanDerWaalsContact C-N 3.34Å; G260-D262 PolarHBondContact O-N 3.38Å
263	T	92	Very high	94	Very high	98 Å²	98	63.6 Å²	63.6	60%	0.601	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-16.2	-179	52.2	0	0	0	0	112.7	G260 F261 D265	G260-T263 PolarHBondContact O-N 3.25Å; G260-T263 PolarHBondContact O-OG1 2.86Å; F261-T263 PolarHBondContact O-N 3.45Å; T263-D265 VanDerWaalsContact C-N 3.32Å; T263-D265 VanDerWaalsContact CB-OD2 3.29Å; T263-D265 WeakPolarHBondContact CB-OD2 3.34Å; T263-D265 VanDerWaalsContact OG1-CG 3.22Å; T263-D265 PolarHBondContact OG1-OD2 3.32Å
264	G	92.4	Very high	94.1	Very high	14 Å²	14	64.9 Å²	64.9	14%	0.144	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	15.3	-172.1	0	0	0	0	0	113.7	G260 D266 R267	G260-G264 CarbonylContact O-C 3.59Å; G260-G264 WeakPolarHBondContact O-CA 3.16Å; G260-G264 PolarHBondContact O-N 3.38Å; G264-D266 VanDerWaalsContact C-OD1 3.3Å; G264-D266 VanDerWaalsContact CA-OD1 3.31Å; G264-D266 WeakPolarHBondContact CA-OD1 3.4Å; G264-R267 PolarHBondContact O-N 2.95Å; G264-R267 PolarHBondContact O-NE 3.48Å; G264-R267 PolarHBondContact O-NH2 3Å
265	D	93.5	Very high	94.2	Very high	112 Å²	112	63.3 Å²	63.3	60%	0.599	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.7	173.7	-67.1	-41.8	0	0	0	112.3	G260 T263 R267	G260-D265 PolarHBondContact O-N 2.92Å; T263-D265 VanDerWaalsContact C-N 3.32Å; T263-D265 VanDerWaalsContact CB-OD2 3.29Å; T263-D265 WeakPolarHBondContact CB-OD2 3.34Å; T263-D265 VanDerWaalsContact OG1-CG 3.22Å; T263-D265 PolarHBondContact OG1-OD2 3.32Å; D265-R267 PolarHBondContact O-N 3.47Å
266	D	93.9	Very high	94.4	Very high	18 Å²	18	61.6 Å²	61.6	10%	0.096	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.4	169.4	67.7	-40.6	0	0	0	112.4	S233 I234 G260 G264 L268	S233-D266 CarbonylContact C-O 3.48Å; S233-D266 VanDerWaalsContact CA-O 3.29Å; S233-D266 WeakPolarHBondContact CA-O 3.35Å; I234-D266 PolarHBondContact N-O 2.95Å; G260-D266 PolarHBondContact O-N 2.91Å; G264-D266 VanDerWaalsContact C-OD1 3.3Å; G264-D266 VanDerWaalsContact CA-OD1 3.31Å; G264-D266 WeakPolarHBondContact CA-OD1 3.4Å; D266-L268 PolarHBondContact O-N 3.25Å
267	R	95.4	Very high	94.4	Very high	179 Å²	179	59.4 Å²	59.4	68%	0.675	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	107.9	172.7	-60.2	172.6	-62	173.2	2.6	109.7	A232 G264 D265	A232-R267 CarbonylContact O-C 3.6Å; A232-R267 WeakPolarHBondContact O-CA 3.32Å; G264-R267 PolarHBondContact O-N 2.95Å; G264-R267 PolarHBondContact O-NE 3.48Å; G264-R267 PolarHBondContact O-NH2 3Å; D265-R267 PolarHBondContact O-N 3.47Å
268	L	95	Very high	94.5	Very high	22 Å²	22	59.5 Å²	59.5	12%	0.115	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140	-171	-54	-177.4	0	0	0	112	V221 A232 I234 D266 L270 L274 I276 L305	V221-L268 HydrophobicContact CG1-CD1 4.19Å; A232-L268 HydrophobicContact CB-CB 4.03Å; A232-L268 PolarHBondContact O-N 3.28Å; I234-L268 HydrophobicContact CB-CD1 3.98Å; I234-L268 HydrophobicContact CB-CG 4.42Å; I234-L268 HydrophobicContact CG2-CD1 4.11Å; I234-L268 HydrophobicContact CG2-CD2 4.03Å; I234-L268 HydrophobicContact CG2-CG 4.16Å; D266-L268 PolarHBondContact O-N 3.25Å; L268-L270 HydrophobicContact CB-CB 4.38Å; L268-L274 HydrophobicContact CB-CD1 4.38Å; L268-L274 HydrophobicContact CD2-CD1 4.38Å; L268-I276 HydrophobicContact CD1-CD1 3.91Å; L268-I276 HydrophobicContact CD2-CD1 3.71Å; L268-I276 HydrophobicContact CG-CD1 4.48Å; L268-L305 HydrophobicContact CD1-CD1 3.81Å
269	F	94.4	Very high	94.5	Very high	168 Å²	168	60.5 Å²	60.5	74%	0.737	31%	0.311	S	S	*	.			trans	-98.5	81.8	157.2	-179.2	-112.2	0	0	0	108.6	V271	F269-V271 HydrophobicContact CD1-CG2 4.14Å; F269-V271 HydrophobicContact CD2-CG2 4.46Å; F269-V271 HydrophobicContact CE1-CB 4.45Å; F269-V271 HydrophobicContact CE1-CG2 3.57Å; F269-V271 HydrophobicContact CE2-CG2 3.92Å; F269-V271 HydrophobicContact CZ-CG2 3.44Å; F269-V271 VanDerWaalsContact CZ-CG2 3.44Å; F269-V271 PolarHBondContact O-N 3.3Å
270	L	93.4	Very high	94.5	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.031	31%	0.309	C	S	.	.			trans	-88.6	93.7	-171.6	-172.1	66.5	0	0	0	111.1	L200 V221 D223 L268 L274 L305	L200-L270 HydrophobicContact CD2-CD2 4.26Å; V221-L270 HydrophobicContact CG1-CD1 4Å; V221-L270 HydrophobicContact CG2-CD2 4.34Å; D223-L270 HydrophobicContact CB-CD2 4.24Å; D223-L270 HydrophobicContact CB-CG 4.42Å; L268-L270 HydrophobicContact CB-CB 4.38Å; L270-L274 HydrophobicContact CD1-CB 4.29Å; L270-L274 HydrophobicContact CD1-CD1 4.07Å; L270-L274 HydrophobicContact CD1-CG 3.97Å; L270-L305 HydrophobicContact CD2-CD2 4.03Å
271	V	91.9	Very high	94.5	Very high	71 Å²	71	62 Å²	62	43%	0.43	32%	0.316	S	S	.	.	S	Bend	trans	-114.1	-53.6	172.3	-179.4	0	0	0	0	110.4	F269	F269-V271 HydrophobicContact CD1-CG2 4.14Å; F269-V271 HydrophobicContact CD2-CG2 4.46Å; F269-V271 HydrophobicContact CE1-CB 4.45Å; F269-V271 HydrophobicContact CE1-CG2 3.57Å; F269-V271 HydrophobicContact CE2-CG2 3.92Å; F269-V271 HydrophobicContact CZ-CG2 3.44Å; F269-V271 VanDerWaalsContact CZ-CG2 3.44Å; F269-V271 PolarHBondContact O-N 3.3Å
272	S	93.7	Very high	94.6	Very high	36 Å²	36	62.4 Å²	62.4	25%	0.252	32%	0.32	S	S	.	.	S	Bend	trans	-99.7	161.2	168	56.1	0	0	0	0	110.2	L274	S272-L274 PolarHBondContact O-N 2.74Å
273	P	96.4	Very high	94.7	Very high	10 Å²	10	65.5 Å²	65.5	7%	0.065	33%	0.327	C	S	.	.			trans	-53.9	129.1	176.1	-31.2	38.3	0	0	0	113.3	R220 V221 V336 V346 Y348 F351	R220-P273 HydrophobicContact CG-CB 4.18Å; V221-P273 CarbonylContact O-C 3.53Å; V221-P273 VanDerWaalsContact O-CA 3.24Å; V221-P273 WeakPolarHBondContact O-CA 3.42Å; P273-V336 HydrophobicContact CB-CG2 4.06Å; P273-V336 HydrophobicContact CG-CG2 4.16Å; P273-V346 HydrophobicContact CG-CG1 3.64Å; P273-Y348 HydrophobicContact CG-CE1 4Å; P273-F351 HydrophobicContact CB-CD2 4.02Å; P273-F351 HydrophobicContact CB-CE2 3.76Å; P273-F351 HydrophobicContact CG-CD2 3.9Å; P273-F351 HydrophobicContact CG-CE2 3.91Å
274	L	96.8	Very high	94.8	Very high	53 Å²	53	61.2 Å²	61.2	28%	0.277	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.2	178.8	-62.2	179.7	0	0	0	110.4	R220 V221 L268 L270 S272 I276	R220-L274 WeakPolarHBondContact CA-O 3.41Å; V221-L274 HydrophobicContact CG1-CB 4.3Å; V221-L274 PolarHBondContact N-O 3.13Å; V221-L274 PolarHBondContact O-N 2.9Å; L268-L274 HydrophobicContact CB-CD1 4.38Å; L268-L274 HydrophobicContact CD2-CD1 4.38Å; L270-L274 HydrophobicContact CD1-CB 4.29Å; L270-L274 HydrophobicContact CD1-CD1 4.07Å; L270-L274 HydrophobicContact CD1-CG 3.97Å; S272-L274 PolarHBondContact O-N 2.74Å; L274-I276 HydrophobicContact CB-CD1 4.39Å
275	I	97.4	Very high	94.8	Very high	62 Å²	62	63 Å²	63	32%	0.318	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.3	170.1	-59.9	171.9	0	0	0	107.3	M218 F333	M218-I275 HydrophobicContact CB-CG2 3.77Å; M218-I275 HydrophobicContact CG-CG2 4.02Å; M218-I275 HydrophobicContact SD-CG2 4.07Å; I275-F333 HydrophobicContact CD1-CB 3.99Å; I275-F333 HydrophobicContact CD1-CD2 4.12Å; I275-F333 HydrophobicContact CD1-CG 4.44Å; I275-F333 HydrophobicContact CG1-CD2 4.21Å; I275-F333 HydrophobicContact CG2-CD2 4.15Å; I275-F333 HydrophobicContact CG2-CE2 4.42Å
276	I	97.6	Very high	94.8	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.046	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.9	173.5	-50.4	-51.9	0	0	0	107.8	M218 F219 V221 I234 V259 L268 L274	M218-I276 WeakPolarHBondContact CA-O 3.31Å; F219-I276 HydrophobicContact CD1-CB 4.47Å; F219-I276 HydrophobicContact CD2-CB 4.07Å; F219-I276 HydrophobicContact CD2-CG1 4.2Å; F219-I276 HydrophobicContact CE1-CB 4.08Å; F219-I276 HydrophobicContact CE1-CG2 3.95Å; F219-I276 HydrophobicContact CE2-CB 3.64Å; F219-I276 HydrophobicContact CE2-CG1 3.69Å; F219-I276 HydrophobicContact CE2-CG2 4.02Å; F219-I276 HydrophobicContact CG-CB 4.46Å; F219-I276 HydrophobicContact CZ-CB 3.65Å; F219-I276 HydrophobicContact CZ-CG1 4.12Å; F219-I276 HydrophobicContact CZ-CG2 3.53Å; F219-I276 PolarHBondContact N-O 2.73Å; F219-I276 PolarHBondContact O-N 3.3Å; V221-I276 HydrophobicContact CG1-CD1 3.84Å; V221-I276 HydrophobicContact CG1-CG1 3.81Å; I234-I276 HydrophobicContact CG1-CG1 4.34Å; I234-I276 HydrophobicContact CG1-CG2 4.37Å; I234-I276 HydrophobicContact CG2-CD1 4.22Å; I234-I276 HydrophobicContact CG2-CG2 4.1Å; V259-I276 HydrophobicContact CB-CG2 3.84Å; V259-I276 HydrophobicContact CG1-CG2 3.98Å; L268-I276 HydrophobicContact CD1-CD1 3.91Å; L268-I276 HydrophobicContact CD2-CD1 3.71Å; L268-I276 HydrophobicContact CG-CD1 4.48Å; L274-I276 HydrophobicContact CB-CD1 4.39Å
277	S	96.9	Very high	94.8	Very high	40 Å²	40	59 Å²	59	28%	0.28	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.4	-173.5	-175.9	0	0	0	0	110.3
278	H	96.9	Very high	94.7	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117	167.5	169.4	57.6	0	0	0	109.3	C216 L217 I257 N258 V259 I280 S284	C216-H278 CarbonylContact C-O 3.56Å; C216-H278 VanDerWaalsContact CA-O 3.25Å; C216-H278 WeakPolarHBondContact CA-O 2.89Å; L217-H278 HydrophobicContact CB-CB 4.34Å; L217-H278 PolarHBondContact N-O 2.84Å; L217-H278 PolarHBondContact O-N 3.18Å; I257-H278 HydrophobicContact CG2-CB 3.88Å; I257-H278 VanDerWaalsContact CG2-ND1 3.35Å; I257-H278 WeakPolarHBondContact CG2-ND1 3.25Å; N258-H278 PolarHBondContact O-ND1 3.35Å; V259-H278 HydrophobicContact CG1-CB 4.23Å; H278-I280 PolarHBondContact O-N 2.91Å; H278-S284 WeakPolarHBondContact NE2-CB 3.21Å; H278-S284 PolarHBondContact NE2-OG 3.35Å
279	E	95.9	Very high	94.5	Very high	73 Å²	73	56 Å²	56	34%	0.341	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122.5	171.2	-178.2	-179.5	152.2	0	0	110.4	K214 N281	K214-E279 HydrophobicContact CB-CG 4.44Å; K214-E279 VanDerWaalsContact CD-CD 3.48Å; K214-E279 HydrophobicContact CD-CG 4.12Å; K214-E279 WeakPolarHBondContact CD-OE1 3.49Å; K214-E279 VanDerWaalsContact CE-OE1 3.31Å; K214-E279 WeakPolarHBondContact CE-OE1 3.47Å; K214-E279 IonicContact NZ-OE1 3.34Å; K214-E279 PolarHBondContact NZ-OE1 3.36Å; K214-E279 IonicContact NZ-OE2 2.89Å; K214-E279 PolarHBondContact NZ-OE2 2.9Å; E279-N281 PolarHBondContact O-N 3.47Å
280	I	96	Very high	94.5	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.041	25%	0.25	C	S	.	.			trans	-80.9	87.7	176.4	-55.8	174.7	0	0	0	108.2	I208 L215 L217 H278 F286 W287 A364	I208-I280 HydrophobicContact CG2-CD1 4.33Å; L215-I280 HydrophobicContact CB-CB 4.49Å; L215-I280 HydrophobicContact CB-CD1 4.45Å; L215-I280 HydrophobicContact CD2-CD1 3.89Å; L215-I280 HydrophobicContact CG-CD1 4.01Å; L215-I280 VanDerWaalsContact O-CB 3.29Å; L215-I280 WeakPolarHBondContact O-CB 3.43Å; L215-I280 WeakPolarHBondContact O-CG1 3.4Å; L215-I280 PolarHBondContact O-N 2.89Å; L217-I280 HydrophobicContact CB-CD1 4.43Å; H278-I280 PolarHBondContact O-N 2.91Å; I280-F286 HydrophobicContact CD1-CB 4.01Å; I280-F286 HydrophobicContact CG1-CB 4.18Å; I280-F286 HydrophobicContact CG2-CB 3.83Å; I280-F286 WeakPolarHBondContact CG2-O 3.18Å; I280-W287 HydrophobicContact CG2-CE3 4.38Å; I280-W287 VanDerWaalsContact O-CZ3 3.31Å; I280-W287 WeakPolarHBondContact O-CZ3 3.3Å; I280-A364 HydrophobicContact CB-CB 4.22Å; I280-A364 HydrophobicContact CG2-CB 3.56Å
281	N	93.4	Very high	94.4	Very high	48 Å²	48	51.6 Å²	51.6	26%	0.257	26%	0.263	S	S	.	.			trans	-102.6	-177.7	176	64.3	29.6	0	0	0	112.1	E279 K283 S284 W287	E279-N281 PolarHBondContact O-N 3.47Å; N281-K283 PolarHBondContact O-N 3.45Å; N281-K283 VanDerWaalsContact O-N 3.08Å; N281-K283 WeakPolarHBondContact OD1-CB 3.39Å; N281-K283 PolarHBondContact OD1-N 3.21Å; N281-S284 WeakPolarHBondContact O-CB 3.39Å; N281-S284 PolarHBondContact O-N 3.33Å; N281-S284 PolarHBondContact OD1-N 2.94Å; N281-W287 VanDerWaalsContact O-CE3 3.23Å
282	E	93.6	Very high	94.3	Very high	158 Å²	158	51.2 Å²	51.2	74%	0.738	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.5	-179.4	-65.5	178.7	-176.4	0	0	114.6	W287	E282-W287 HydrophobicContact CB-CZ2 4.5Å; E282-W287 HydrophobicContact CG-CD2 4.45Å; E282-W287 HydrophobicContact CG-CH2 4.04Å; E282-W287 HydrophobicContact CG-CZ2 3.54Å
283	K	91.9	Very high	94.2	Very high	188 Å²	188	53.3 Å²	53.3	82%	0.817	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.4	177.5	-60	179	-177.2	174.9	0	112.3	N281	N281-K283 PolarHBondContact O-N 3.45Å; N281-K283 VanDerWaalsContact O-N 3.08Å; N281-K283 WeakPolarHBondContact OD1-CB 3.39Å; N281-K283 PolarHBondContact OD1-N 3.21Å
284	S	93.9	Very high	93.9	Very high	8 Å²	8	52.9 Å²	52.9	6%	0.056	27%	0.27	C	S	.	.	S	Bend	trans	-71	137.8	-178.7	-179.2	0	0	0	0	110.9	H278 N281 F286 W287	H278-S284 WeakPolarHBondContact NE2-CB 3.21Å; H278-S284 PolarHBondContact NE2-OG 3.35Å; N281-S284 WeakPolarHBondContact O-CB 3.39Å; N281-S284 PolarHBondContact O-N 3.33Å; N281-S284 PolarHBondContact OD1-N 2.94Å; S284-F286 PolarHBondContact O-N 2.96Å; S284-F286 VanDerWaalsContact O-N 3.1Å; S284-F286 PolarHBondContact OG-N 3.38Å; S284-F286 VanDerWaalsContact OG-N 3.14Å; S284-W287 VanDerWaalsContact O-CB 3.3Å; S284-W287 WeakPolarHBondContact O-CB 3.31Å; S284-W287 PolarHBondContact O-N 3.43Å; S284-W287 VanDerWaalsContact O-N 3.12Å
285	P	92.2	Very high	93.3	Very high	52 Å²	52	56.2 Å²	56.2	34%	0.338	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19	168.9	-23.4	33.9	0	0	0	114.1	L238	L238-P285 HydrophobicContact CD2-CB 3.32Å; L238-P285 HydrophobicContact CD2-CG 3.87Å
286	F	93.8	Very high	92.8	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.009	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	3.6	-179.4	-60.6	-78.3	0	0	0	113.3	L217 L238 I257 I280 S284 E288 M289 F299 V301	L217-F286 HydrophobicContact CD1-CD2 4.42Å; L217-F286 HydrophobicContact CD1-CE1 4.42Å; L217-F286 HydrophobicContact CD1-CE2 3.99Å; L217-F286 HydrophobicContact CD1-CZ 3.99Å; L238-F286 HydrophobicContact CD1-CE1 4.48Å; L238-F286 HydrophobicContact CD1-CZ 3.83Å; I257-F286 HydrophobicContact CD1-CE2 3.98Å; I280-F286 HydrophobicContact CD1-CB 4.01Å; I280-F286 HydrophobicContact CG1-CB 4.18Å; I280-F286 HydrophobicContact CG2-CB 3.83Å; I280-F286 WeakPolarHBondContact CG2-O 3.18Å; S284-F286 PolarHBondContact O-N 2.96Å; S284-F286 VanDerWaalsContact O-N 3.1Å; S284-F286 PolarHBondContact OG-N 3.38Å; S284-F286 VanDerWaalsContact OG-N 3.14Å; F286-E288 VanDerWaalsContact C-N 3.34Å; F286-E288 PolarHBondContact O-N 2.89Å; F286-M289 HydrophobicContact CD1-CE 4Å; F286-M289 HydrophobicContact CD1-SD 3.69Å; F286-M289 HydrophobicContact CE1-CE 4.37Å; F286-M289 HydrophobicContact CE1-SD 4.15Å; F286-M289 WeakPolarHBondContact O-CB 3.45Å; F286-M289 PolarHBondContact O-N 2.9Å; F286-M289 VanDerWaalsContact O-N 3.1Å; F286-F299 HydrophobicContact CE1-CD2 4.13Å; F286-F299 HydrophobicContact CE1-CE1 4.45Å; F286-F299 AromaticContact CE1-CE2 3.76Å; F286-F299 HydrophobicContact CE1-CE2 3.76Å; F286-F299 AromaticContact CE1-CZ 3.94Å; F286-F299 HydrophobicContact CE1-CZ 3.94Å; F286-F299 HydrophobicContact CZ-CD2 4.24Å; F286-F299 HydrophobicContact CZ-CE2 4.03Å; F286-V301 HydrophobicContact CE2-CG2 4.46Å; F286-V301 HydrophobicContact CZ-CG2 3.79Å
287	W	94.4	Very high	92.3	Very high	42 Å²	42	63.2 Å²	63.2	16%	0.159	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-43.3	-173.5	-177.3	-121.6	0	0	0	114.2	I280 N281 E282 S284 A364 K365 A368	I280-W287 HydrophobicContact CG2-CE3 4.38Å; I280-W287 VanDerWaalsContact O-CZ3 3.31Å; I280-W287 WeakPolarHBondContact O-CZ3 3.3Å; N281-W287 VanDerWaalsContact O-CE3 3.23Å; E282-W287 HydrophobicContact CB-CZ2 4.5Å; E282-W287 HydrophobicContact CG-CD2 4.45Å; E282-W287 HydrophobicContact CG-CH2 4.04Å; E282-W287 HydrophobicContact CG-CZ2 3.54Å; S284-W287 VanDerWaalsContact O-CB 3.3Å; S284-W287 WeakPolarHBondContact O-CB 3.31Å; S284-W287 PolarHBondContact O-N 3.43Å; S284-W287 VanDerWaalsContact O-N 3.12Å; W287-A364 HydrophobicContact CD2-CB 4.39Å; W287-A364 HydrophobicContact CE3-CB 3.51Å; W287-A364 HydrophobicContact CZ3-CB 3.69Å; W287-A364 PolarHBondContact O-N 2.93Å; W287-K365 HydrophobicContact CD2-CB 4.19Å; W287-K365 HydrophobicContact CG-CB 4.37Å; W287-K365 HydrophobicContact CZ2-CB 4.17Å; W287-K365 HydrophobicContact CZ2-CG 4.47Å; W287-K365 PolarHBondContact O-N 3.49Å; W287-A368 HydrophobicContact CH2-CB 3.5Å; W287-A368 VanDerWaalsContact CH2-CB 3.5Å; W287-A368 HydrophobicContact CZ2-CB 3.93Å
288	E	92.5	Very high	92	Very high	119 Å²	119	67.6 Å²	67.6	56%	0.556	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	10.3	-178.5	-55.7	-163.7	142.5	0	0	112.9	F286 Q293 K365	F286-E288 VanDerWaalsContact C-N 3.34Å; F286-E288 PolarHBondContact O-N 2.89Å; E288-Q293 PolarHBondContact O-OE1 3.34Å; E288-Q293 VanDerWaalsContact O-OE1 3.07Å; E288-K365 HydrophobicContact CG-CD 4.06Å; E288-K365 IonicContact OE1-NZ 2.79Å; E288-K365 PolarHBondContact OE1-NZ 3.39Å
289	M	91.6	Very high	91.9	Very high	19 Å²	19	67.6 Å²	67.6	9%	0.094	33%	0.331	C	S	.	.			trans	-94.2	119.9	-175	-165	168.2	-63.6	0	0	111.3	F286 Q293 L294 E297 F299 C363	F286-M289 HydrophobicContact CD1-CE 4Å; F286-M289 HydrophobicContact CD1-SD 3.69Å; F286-M289 HydrophobicContact CE1-CE 4.37Å; F286-M289 HydrophobicContact CE1-SD 4.15Å; F286-M289 WeakPolarHBondContact O-CB 3.45Å; F286-M289 PolarHBondContact O-N 2.9Å; F286-M289 VanDerWaalsContact O-N 3.1Å; M289-Q293 HydrophobicContact CG-CB 4.35Å; M289-L294 HydrophobicContact CG-CD1 4.42Å; M289-L294 HydrophobicContact SD-CB 4.44Å; M289-L294 HydrophobicContact SD-CD1 3.54Å; M289-L294 VanDerWaalsContact SD-CD1 3.54Å; M289-E297 HydrophobicContact CE-CB 4.16Å; M289-E297 HydrophobicContact CE-CG 4.03Å; M289-F299 HydrophobicContact SD-CE1 4.12Å; M289-C363 VanDerWaalsContact C-CB 3.46Å; M289-C363 WeakPolarHBondContact O-CA 3.43Å; M289-C363 WeakPolarHBondContact O-CB 3.49Å
290	S	93.3	Very high	91.9	Very high	20 Å²	20	64.6 Å²	64.6	14%	0.14	32%	0.317	C	S	.	.			trans	-93.6	168.7	171.3	63.1	0	0	0	0	112.1	A292 Q293 L294	S290-A292 VanDerWaalsContact C-N 3.27Å; S290-A292 PolarHBondContact O-N 2.88Å; S290-Q293 PolarHBondContact O-N 3.36Å; S290-Q293 VanDerWaalsContact O-N 3.15Å; S290-Q293 VanDerWaalsContact OG-CD 3.31Å; S290-Q293 WeakPolarHBondContact OG-CG 3.28Å; S290-Q293 PolarHBondContact OG-N 2.92Å; S290-Q293 PolarHBondContact OG-OE1 3.43Å; S290-L294 PolarHBondContact O-N 3.23Å
291	Q	92	Very high	91.9	Very high	62 Å²	62	64.3 Å²	64.3	29%	0.29	32%	0.316	S	S	.	.	H	α-helix	trans	-55.6	-41.9	176.3	-175.5	176.7	17.2	0	0	112.5	L294 H295 W329 S361	Q291-L294 WeakPolarHBondContact O-CB 3.31Å; Q291-L294 PolarHBondContact O-N 2.87Å; Q291-H295 PolarHBondContact O-CD2 2.93Å; Q291-H295 VanDerWaalsContact O-CD2 3.3Å; Q291-W329 HydrophobicContact CB-CD2 3.77Å; Q291-W329 HydrophobicContact CB-CE3 4.3Å; Q291-W329 HydrophobicContact CB-CG 3.88Å; Q291-W329 HydrophobicContact CB-CZ2 4.33Å; Q291-W329 HydrophobicContact CG-CB 3.89Å; Q291-W329 HydrophobicContact CG-CD2 4.07Å; Q291-W329 HydrophobicContact CG-CG 3.63Å; Q291-S361 PolarHBondContact N-O 3.07Å; Q291-S361 VanDerWaalsContact N-O 3.14Å; Q291-S361 VanDerWaalsContact OE1-CB 3.22Å; Q291-S361 PolarHBondContact OE1-OG 3.02Å
292	A	90.9	Very high	92.1	Very high	63 Å²	63	62.3 Å²	62.3	52%	0.521	31%	0.306	S	S	.	.	H	α-helix	trans	-69.5	-36.2	179.9	0	0	0	0	0	112.2	S290	S290-A292 VanDerWaalsContact C-N 3.27Å; S290-A292 PolarHBondContact O-N 2.88Å
293	Q	89.8	Confident	92.2	Very high	81 Å²	81	54.8 Å²	54.8	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-73.2	-32.1	177.8	-73.5	164.4	-40.9	0	0	112.4	E288 M289 S290 H295 Q296 E297	E288-Q293 PolarHBondContact O-OE1 3.34Å; E288-Q293 VanDerWaalsContact O-OE1 3.07Å; M289-Q293 HydrophobicContact CG-CB 4.35Å; S290-Q293 PolarHBondContact O-N 3.36Å; S290-Q293 VanDerWaalsContact O-N 3.15Å; S290-Q293 VanDerWaalsContact OG-CD 3.31Å; S290-Q293 WeakPolarHBondContact OG-CG 3.28Å; S290-Q293 PolarHBondContact OG-N 2.92Å; S290-Q293 PolarHBondContact OG-OE1 3.43Å; Q293-H295 PolarHBondContact O-N 2.97Å; Q293-Q296 PolarHBondContact O-N 3.46Å; Q293-E297 WeakPolarHBondContact O-CB 3.38Å; Q293-E297 VanDerWaalsContact O-CG 3.31Å; Q293-E297 WeakPolarHBondContact O-CG 3.36Å; Q293-E297 PolarHBondContact O-N 2.88Å
294	L	90	Very high	92.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-52.5	-40.9	177.1	-171.1	77.5	0	0	0	111.8	I208 M289 S290 Q291 Q296 F299 V327 W329	I208-L294 HydrophobicContact CD1-CD1 4.22Å; I208-L294 HydrophobicContact CD1-CD2 4.45Å; M289-L294 HydrophobicContact CG-CD1 4.42Å; M289-L294 HydrophobicContact SD-CB 4.44Å; M289-L294 HydrophobicContact SD-CD1 3.54Å; M289-L294 VanDerWaalsContact SD-CD1 3.54Å; S290-L294 PolarHBondContact O-N 3.23Å; Q291-L294 WeakPolarHBondContact O-CB 3.31Å; Q291-L294 PolarHBondContact O-N 2.87Å; L294-Q296 VanDerWaalsContact C-N 3.33Å; L294-F299 HydrophobicContact CD1-CE1 3.75Å; L294-F299 HydrophobicContact CD1-CZ 3.59Å; L294-V327 HydrophobicContact CD1-CG1 4.39Å; L294-V327 HydrophobicContact CD2-CB 4.34Å; L294-V327 HydrophobicContact CD2-CG1 4.14Å; L294-W329 HydrophobicContact CD2-CB 4.37Å; L294-W329 HydrophobicContact CD2-CE3 4.22Å
295	H	85.2	Confident	92.6	Very high	123 Å²	123	46.8 Å²	46.8	57%	0.569	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.1	179	-64	-58.9	0	0	0	114.5	Q291 Q293	Q291-H295 PolarHBondContact O-CD2 2.93Å; Q291-H295 VanDerWaalsContact O-CD2 3.3Å; Q293-H295 PolarHBondContact O-N 2.97Å
296	Q	87.8	Confident	92.7	Very high	155 Å²	155	46.7 Å²	46.7	72%	0.724	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-21.9	178.2	-63.6	178	17.4	0	0	111.9	Q293 L294	Q293-Q296 PolarHBondContact O-N 3.46Å; L294-Q296 VanDerWaalsContact C-N 3.33Å
297	E	86.7	Confident	92.7	Very high	63 Å²	63	46.9 Å²	46.9	29%	0.294	23%	0.233	S	C	.	.			trans	-84.9	135.3	-174	-81.2	-75.6	-160.8	0	0	112.4	K240 M289 Q293 F299 D324	K240-E297 VanDerWaalsContact CE-OE2 3.31Å; K240-E297 WeakPolarHBondContact CE-OE2 3.46Å; K240-E297 IonicContact NZ-OE1 3.81Å; K240-E297 PolarHBondContact NZ-OE1 3.3Å; K240-E297 IonicContact NZ-OE2 3.55Å; K240-E297 PolarHBondContact NZ-OE2 2.88Å; M289-E297 HydrophobicContact CE-CB 4.16Å; M289-E297 HydrophobicContact CE-CG 4.03Å; Q293-E297 WeakPolarHBondContact O-CB 3.38Å; Q293-E297 VanDerWaalsContact O-CG 3.31Å; Q293-E297 WeakPolarHBondContact O-CG 3.36Å; Q293-E297 PolarHBondContact O-N 2.88Å; E297-F299 HydrophobicContact CB-CD1 4.05Å; E297-F299 HydrophobicContact CB-CE1 4.38Å; E297-D324 WeakPolarHBondContact O-CB 3.42Å
298	E	91.1	Very high	92.6	Very high	132 Å²	132	47.1 Å²	47.1	62%	0.617	24%	0.236	S	C	*	.			trans	-100.4	98.8	179.3	-68.2	-170.6	170.3	0	0	110
299	F	93.1	Very high	92.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	21%	0.213	C	C	.	.			trans	-141.3	164.7	176.9	69.2	-87.3	0	0	0	112.3	R50 L238 K240 F286 M289 L294 E297 V301 D324 V327	R50-F299 PolarHBondContact NH2-O 2.82Å; L238-F299 HydrophobicContact CD1-CB 3.76Å; L238-F299 HydrophobicContact CD1-CD2 3.66Å; L238-F299 HydrophobicContact CD1-CG 4.01Å; K240-F299 HydrophobicContact CB-CB 4.28Å; K240-F299 HydrophobicContact CD-CB 4.4Å; F286-F299 HydrophobicContact CE1-CD2 4.13Å; F286-F299 HydrophobicContact CE1-CE1 4.45Å; F286-F299 AromaticContact CE1-CE2 3.76Å; F286-F299 HydrophobicContact CE1-CE2 3.76Å; F286-F299 AromaticContact CE1-CZ 3.94Å; F286-F299 HydrophobicContact CE1-CZ 3.94Å; F286-F299 HydrophobicContact CZ-CD2 4.24Å; F286-F299 HydrophobicContact CZ-CE2 4.03Å; M289-F299 HydrophobicContact SD-CE1 4.12Å; L294-F299 HydrophobicContact CD1-CE1 3.75Å; L294-F299 HydrophobicContact CD1-CZ 3.59Å; E297-F299 HydrophobicContact CB-CD1 4.05Å; E297-F299 HydrophobicContact CB-CE1 4.38Å; F299-V301 HydrophobicContact CD2-CG2 3.97Å; F299-V301 HydrophobicContact CE2-CG2 3.93Å; F299-D324 HydrophobicContact CD1-CB 4.2Å; F299-D324 HydrophobicContact CE1-CB 3.83Å; F299-D324 HydrophobicContact CZ-CB 4.2Å; F299-D324 PolarHBondContact O-N 3.5Å; F299-V327 HydrophobicContact CE2-CG2 4.09Å; F299-V327 HydrophobicContact CZ-CG2 4.14Å
300	E	95.8	Very high	92.3	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126.4	172.8	-177.2	174.8	173.5	0	0	108.9	Y53 M54 I239 V302 S321 Y322	Y53-E300 WeakPolarHBondContact CB-OE2 3.36Å; Y53-E300 PolarHBondContact N-OE2 3.44Å; M54-E300 PolarHBondContact N-OE1 2.84Å; I239-E300 HydrophobicContact CB-CB 4.44Å; I239-E300 PolarHBondContact N-O 3.17Å; I239-E300 PolarHBondContact O-N 3.47Å; E300-V302 HydrophobicContact CG-CG2 4.39Å; E300-S321 WeakPolarHBondContact OE1-CB 3.45Å; E300-S321 PolarHBondContact OE1-OG 2.86Å; E300-Y322 CarbonylContact C-O 3.52Å; E300-Y322 WeakPolarHBondContact CA-O 3.42Å
301	V	96.7	Very high	92	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	111.4	174.3	178.1	0	0	0	0	108.4	K237 L238 I257 F286 F299 V303 S321 Y322	K237-V301 CarbonylContact O-C 3.52Å; L238-V301 HydrophobicContact CD1-CG2 4.01Å; I257-V301 HydrophobicContact CD1-CG1 3.77Å; I257-V301 HydrophobicContact CD1-CG2 4.15Å; F286-V301 HydrophobicContact CE2-CG2 4.46Å; F286-V301 HydrophobicContact CZ-CG2 3.79Å; F299-V301 HydrophobicContact CD2-CG2 3.97Å; F299-V301 HydrophobicContact CE2-CG2 3.93Å; V301-V303 HydrophobicContact CG1-CG1 4.24Å; V301-S321 CarbonylContact O-C 3.6Å; V301-S321 WeakPolarHBondContact O-CA 3.39Å; V301-Y322 PolarHBondContact N-O 3.46Å; V301-Y322 PolarHBondContact O-N 3.46Å
302	V	97.2	Very high	91.8	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.7	174	175.6	0	0	0	0	109.2	M54 A236 K237 I239 E300 I304	M54-V302 HydrophobicContact CB-CG2 4.44Å; M54-V302 HydrophobicContact CE-CG1 3.81Å; M54-V302 HydrophobicContact SD-CG1 3.8Å; A236-V302 CarbonylContact C-O 3.6Å; A236-V302 WeakPolarHBondContact CA-O 3.41Å; K237-V302 PolarHBondContact N-O 3.45Å; K237-V302 PolarHBondContact O-N 3.13Å; I239-V302 HydrophobicContact CD1-CB 4.33Å; I239-V302 HydrophobicContact CD1-CG2 3.45Å; I239-V302 VanDerWaalsContact CD1-CG2 3.45Å; I239-V302 HydrophobicContact CG1-CG2 4.08Å; E300-V302 HydrophobicContact CG-CG2 4.39Å; V302-I304 HydrophobicContact CG1-CD1 4.46Å; V302-I304 HydrophobicContact CG1-CG1 4.08Å
303	V	97.1	Very high	91.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.1	176.2	-61.7	0	0	0	0	109.8	F202 F219 A236 V301 R319 S320 Y322	F202-V303 HydrophobicContact CD1-CG2 3.72Å; F202-V303 HydrophobicContact CE1-CB 4.42Å; F202-V303 HydrophobicContact CE1-CG2 3.76Å; F202-V303 HydrophobicContact CG-CG2 4.26Å; F202-V303 HydrophobicContact CZ-CG2 4.32Å; F219-V303 HydrophobicContact CD1-CG1 4.08Å; F219-V303 HydrophobicContact CD2-CG1 4.22Å; F219-V303 HydrophobicContact CE1-CG1 3.65Å; F219-V303 HydrophobicContact CE2-CB 4.08Å; F219-V303 HydrophobicContact CE2-CG1 3.8Å; F219-V303 HydrophobicContact CG-CG1 4.35Å; F219-V303 HydrophobicContact CZ-CB 4.1Å; F219-V303 HydrophobicContact CZ-CG1 3.49Å; F219-V303 VanDerWaalsContact CZ-CG1 3.49Å; A236-V303 HydrophobicContact CB-CG1 4.24Å; V301-V303 HydrophobicContact CG1-CG1 4.24Å; V303-R319 VanDerWaalsContact O-CA 3.3Å; V303-R319 WeakPolarHBondContact O-CA 3.38Å; V303-S320 WeakPolarHBondContact CG2-O 3.31Å; V303-S320 PolarHBondContact N-O 2.91Å; V303-S320 PolarHBondContact O-N 3.38Å; V303-Y322 HydrophobicContact CG1-CD2 4.18Å; V303-Y322 HydrophobicContact CG1-CE2 3.88Å; V303-Y322 HydrophobicContact CG2-CE2 3.85Å
304	I	96.8	Very high	91.7	Very high	26 Å²	26	47.9 Å²	47.9	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	115.8	-173.3	-51.8	177.7	0	0	0	107.5	I234 R235 V302 E306 Q317 R319	I234-I304 WeakPolarHBondContact CD1-O 3.3Å; R235-I304 PolarHBondContact N-O 3.27Å; R235-I304 PolarHBondContact O-N 3.08Å; V302-I304 HydrophobicContact CG1-CD1 4.46Å; V302-I304 HydrophobicContact CG1-CG1 4.08Å; I304-E306 HydrophobicContact CG2-CG 4.05Å; I304-Q317 HydrophobicContact CG2-CG 3.54Å; I304-R319 HydrophobicContact CG1-CG 4.27Å; I304-R319 HydrophobicContact CG2-CG 4.14Å
305	L	95.9	Very high	91.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.1	171.3	179.2	68.5	0	0	0	108.4	L200 F202 V221 I234 L268 L270 Q317 A318	L200-L305 HydrophobicContact CB-CD2 4.47Å; L200-L305 HydrophobicContact CD1-CD2 3.89Å; L200-L305 HydrophobicContact CD2-CD2 3.97Å; L200-L305 HydrophobicContact CG-CD2 4.33Å; F202-L305 HydrophobicContact CE1-CB 4.24Å; F202-L305 HydrophobicContact CZ-CB 3.8Å; V221-L305 HydrophobicContact CG2-CD2 3.8Å; I234-L305 HydrophobicContact CB-CD1 4.39Å; I234-L305 HydrophobicContact CD1-CB 3.87Å; I234-L305 HydrophobicContact CD1-CD1 4.13Å; L268-L305 HydrophobicContact CD1-CD1 3.81Å; L270-L305 HydrophobicContact CD2-CD2 4.03Å; L305-Q317 CarbonylContact O-C 3.49Å; L305-Q317 VanDerWaalsContact O-CA 3.31Å; L305-Q317 WeakPolarHBondContact O-CA 3.45Å; L305-A318 HydrophobicContact CB-CB 4.46Å; L305-A318 PolarHBondContact N-O 3.28Å; L305-A318 PolarHBondContact O-N 2.94Å
306	E	94.5	Very high	92	Very high	50 Å²	50	47.6 Å²	47.6	23%	0.234	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.7	177.1	-69.1	176.4	162	0	0	109.7	A232 S233 R235 I304 C316 Q317	A232-E306 CarbonylContact C-O 3.53Å; A232-E306 VanDerWaalsContact CA-O 3.29Å; A232-E306 WeakPolarHBondContact CA-O 3.2Å; S233-E306 PolarHBondContact N-O 3.31Å; S233-E306 PolarHBondContact O-N 3.36Å; R235-E306 IonicContact CZ-OE2 2.76Å; R235-E306 IonicContact NE-OE2 2.8Å; R235-E306 IonicContact NH2-OE2 3.45Å; R235-E306 PolarHBondContact NH2-OE2 2.97Å; I304-E306 HydrophobicContact CG2-CG 4.05Å; E306-C316 WeakPolarHBondContact CA-O 3.36Å; E306-Q317 HydrophobicContact CG-CB 4.33Å; E306-Q317 HydrophobicContact CG-CG 3.83Å; E306-Q317 PolarHBondContact OE1-NE2 3.33Å
307	G	93.9	Very high	92.3	Very high	6 Å²	6	43.6 Å²	43.6	6%	0.062	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	172	171.6	0	0	0	0	0	112.4	T315 C316	G307-T315 CarbonylContact O-C 3.55Å; G307-T315 WeakPolarHBondContact O-CA 3.44Å; G307-C316 PolarHBondContact N-O 3.41Å; G307-C316 PolarHBondContact O-N 2.96Å; G307-C316 PolarHBondContact O-SG 2.8Å
308	M	92.3	Very high	92.6	Very high	47 Å²	47	40.8 Å²	40.8	23%	0.232	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.7	-177.8	-71.1	-176.6	-68.1	0	0	112.6	V230 E231 E310 M314 T315	V230-M308 HydrophobicContact CB-CB 4.2Å; V230-M308 HydrophobicContact CG1-CE 4.16Å; V230-M308 PolarHBondContact N-O 2.93Å; V230-M308 PolarHBondContact O-N 3.2Å; E231-M308 HydrophobicContact CB-CE 4.05Å; E231-M308 VanDerWaalsContact CD-CE 3.46Å; E231-M308 HydrophobicContact CG-CE 3.93Å; E231-M308 WeakPolarHBondContact OE2-CE 3.45Å; M308-E310 PolarHBondContact O-N 3.4Å; M308-M314 WeakPolarHBondContact CA-O 3.39Å; M308-T315 HydrophobicContact CG-CG2 3.73Å
309	V	91.1	Very high	92.8	Very high	9 Å²	9	38 Å²	38	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.8	176.8	172.8	0	0	0	0	109.4	P193 R196 A311 T312 G313 M314 C316	P193-V309 HydrophobicContact CB-CB 4.46Å; P193-V309 HydrophobicContact CB-CG2 3.44Å; P193-V309 VanDerWaalsContact CB-CG2 3.44Å; P193-V309 HydrophobicContact CG-CG2 4.29Å; R196-V309 HydrophobicContact CB-CG2 4.34Å; R196-V309 HydrophobicContact CG-CG2 4.31Å; V309-A311 VanDerWaalsContact C-N 3.28Å; V309-A311 PolarHBondContact O-N 2.85Å; V309-T312 WeakPolarHBondContact CB-OG1 3.27Å; V309-T312 HydrophobicContact CG1-CG2 4.18Å; V309-T312 VanDerWaalsContact CG1-OG1 3.25Å; V309-T312 WeakPolarHBondContact CG1-OG1 3.26Å; V309-T312 PolarHBondContact O-N 3.48Å; V309-G313 PolarHBondContact O-N 3.07Å; V309-M314 WeakPolarHBondContact CG2-O 3.46Å; V309-M314 PolarHBondContact N-O 3.27Å; V309-C316 HydrophobicContact CG2-CB 3.87Å
310	E	87.9	Confident	93	Very high	104 Å²	104	38 Å²	38	49%	0.486	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-38.6	-49.5	-179.2	-179.5	176.6	-153.3	0	0	115	S227 H228 V230 M308 T312	S227-E310 WeakPolarHBondContact CA-OE2 3.4Å; S227-E310 WeakPolarHBondContact CB-OE2 3.31Å; H228-E310 PolarHBondContact N-OE2 3.24Å; H228-E310 WeakPolarHBondContact O-CB 3.46Å; V230-E310 HydrophobicContact CG2-CB 4.31Å; M308-E310 PolarHBondContact O-N 3.4Å; E310-T312 PolarHBondContact O-N 2.8Å
311	A	86.6	Confident	93	Very high	90 Å²	90	37.6 Å²	37.6	74%	0.744	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-24	-176.9	0	0	0	0	0	115.3	V309	V309-A311 VanDerWaalsContact C-N 3.28Å; V309-A311 PolarHBondContact O-N 2.85Å
312	T	87.1	Confident	93	Very high	63 Å²	63	37.5 Å²	37.5	39%	0.387	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-15.4	-172.5	65.1	0	0	0	0	114	V309 E310 M314	V309-T312 WeakPolarHBondContact CB-OG1 3.27Å; V309-T312 HydrophobicContact CG1-CG2 4.18Å; V309-T312 VanDerWaalsContact CG1-OG1 3.25Å; V309-T312 WeakPolarHBondContact CG1-OG1 3.26Å; V309-T312 PolarHBondContact O-N 3.48Å; E310-T312 PolarHBondContact O-N 2.8Å; T312-M314 HydrophobicContact CG2-CE 4.13Å; T312-M314 PolarHBondContact O-N 3.31Å; T312-M314 VanDerWaalsContact O-N 3.07Å; T312-M314 PolarHBondContact OG1-N 3.47Å
313	G	88.6	Confident	92.9	Very high	50 Å²	50	37.9 Å²	37.9	52%	0.515	22%	0.221	S	C	.	.			trans	65.9	0.8	-172.2	0	0	0	0	0	114.7	V309	V309-G313 PolarHBondContact O-N 3.07Å
314	M	89.6	Confident	92.7	Very high	64 Å²	64	38.9 Å²	38.9	32%	0.315	23%	0.226	S	C	.	.			trans	-80.5	144.5	178	-73.8	-174.2	-79.2	0	0	111.5	S191 P193 M308 V309 T312	S191-M314 WeakPolarHBondContact O-CE 3.29Å; P193-M314 HydrophobicContact CG-CB 4Å; M308-M314 WeakPolarHBondContact CA-O 3.39Å; V309-M314 WeakPolarHBondContact CG2-O 3.46Å; V309-M314 PolarHBondContact N-O 3.27Å; T312-M314 HydrophobicContact CG2-CE 4.13Å; T312-M314 PolarHBondContact O-N 3.31Å; T312-M314 VanDerWaalsContact O-N 3.07Å; T312-M314 PolarHBondContact OG1-N 3.47Å
315	T	91.6	Very high	92.5	Very high	110 Å²	110	42.5 Å²	42.5	68%	0.675	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	138	174.1	53	0	0	0	0	110.7	P193 G307 M308	P193-T315 VanDerWaalsContact CG-O 3.31Å; P193-T315 WeakPolarHBondContact CG-O 3.35Å; G307-T315 CarbonylContact O-C 3.55Å; G307-T315 WeakPolarHBondContact O-CA 3.44Å; M308-T315 HydrophobicContact CG-CG2 3.73Å
316	C	91.6	Very high	92.5	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.1	173.6	73.1	0	0	0	0	109.2	P193 E306 G307 V309	P193-C316 HydrophobicContact CB-CB 3.99Å; P193-C316 HydrophobicContact CG-CB 4.09Å; E306-C316 WeakPolarHBondContact CA-O 3.36Å; G307-C316 PolarHBondContact N-O 3.41Å; G307-C316 PolarHBondContact O-N 2.96Å; G307-C316 PolarHBondContact O-SG 2.8Å; V309-C316 HydrophobicContact CG2-CB 3.87Å
317	Q	92.5	Very high	92.5	Very high	71 Å²	71	41.9 Å²	41.9	33%	0.332	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	113.8	178.6	-172.7	-173.5	76.1	0	0	108.8	I304 L305 E306 R319	I304-Q317 HydrophobicContact CG2-CG 3.54Å; L305-Q317 CarbonylContact O-C 3.49Å; L305-Q317 VanDerWaalsContact O-CA 3.31Å; L305-Q317 WeakPolarHBondContact O-CA 3.45Å; E306-Q317 HydrophobicContact CG-CB 4.33Å; E306-Q317 HydrophobicContact CG-CG 3.83Å; E306-Q317 PolarHBondContact OE1-NE2 3.33Å; Q317-R319 HydrophobicContact CG-CG 4.08Å; Q317-R319 PolarHBondContact O-NH1 3.08Å
318	A	94	Very high	92.7	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.2	171.1	0	0	0	0	0	109.2	A197 L200 F202 L305	A197-A318 HydrophobicContact CB-CB 4.23Å; L200-A318 HydrophobicContact CB-CB 3.81Å; L200-A318 HydrophobicContact CD1-CB 3.77Å; L200-A318 HydrophobicContact CG-CB 4.44Å; F202-A318 HydrophobicContact CE2-CB 3.93Å; F202-A318 HydrophobicContact CZ-CB 4.21Å; L305-A318 HydrophobicContact CB-CB 4.46Å; L305-A318 PolarHBondContact N-O 3.28Å; L305-A318 PolarHBondContact O-N 2.94Å
319	R	95.3	Very high	92.8	Very high	74 Å²	74	42.3 Å²	42.3	28%	0.279	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149	-175.7	-59.1	174	-65.3	-72.1	-15.8	110	M54 G58 V303 I304 Q317	M54-R319 HydrophobicContact CE-CB 4.12Å; M54-R319 HydrophobicContact CE-CG 4.45Å; M54-R319 HydrophobicContact SD-CB 3.52Å; M54-R319 VanDerWaalsContact SD-CB 3.52Å; M54-R319 HydrophobicContact SD-CG 4.45Å; G58-R319 WeakPolarHBondContact CA-O 3.43Å; G58-R319 PolarHBondContact N-O 3.4Å; G58-R319 PolarHBondContact O-NE 2.9Å; G58-R319 PolarHBondContact O-NH2 3.09Å; G58-R319 VanDerWaalsContact O-NH2 3.17Å; V303-R319 VanDerWaalsContact O-CA 3.3Å; V303-R319 WeakPolarHBondContact O-CA 3.38Å; I304-R319 HydrophobicContact CG1-CG 4.27Å; I304-R319 HydrophobicContact CG2-CG 4.14Å; Q317-R319 HydrophobicContact CG-CG 4.08Å; Q317-R319 PolarHBondContact O-NH1 3.08Å
320	S	96.3	Very high	93.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	171.6	170.2	-169.3	0	0	0	0	109.4	K56 F202 V303	K56-S320 PolarHBondContact O-OG 3.24Å; F202-S320 VanDerWaalsContact CD2-CB 3.48Å; V303-S320 WeakPolarHBondContact CG2-O 3.31Å; V303-S320 PolarHBondContact N-O 2.91Å; V303-S320 PolarHBondContact O-N 3.38Å
321	S	96.4	Very high	93.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.4	175.5	81.9	0	0	0	0	113.1	R52 M54 K56 E300 V301	R52-S321 PolarHBondContact NH2-O 3.07Å; R52-S321 PolarHBondContact NH2-OG 3.4Å; M54-S321 PolarHBondContact O-OG 2.83Å; K56-S321 VanDerWaalsContact CD-O 3.27Å; K56-S321 WeakPolarHBondContact CD-O 3.49Å; K56-S321 WeakPolarHBondContact CE-O 3.29Å; K56-S321 PolarHBondContact NZ-O 3.49Å; E300-S321 WeakPolarHBondContact OE1-CB 3.45Å; E300-S321 PolarHBondContact OE1-OG 2.86Å; V301-S321 CarbonylContact O-C 3.6Å; V301-S321 WeakPolarHBondContact O-CA 3.39Å
322	Y	96.9	Very high	94	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.4	174.8	-57.4	-84.2	0	0	0	109.3	S203 A206 F219 E300 V301 V303 E326	S203-Y322 VanDerWaalsContact O-CE1 3.25Å; S203-Y322 WeakPolarHBondContact O-CE1 3.12Å; S203-Y322 PolarHBondContact O-OH 2.78Å; S203-Y322 PolarHBondContact OG-OH 3.45Å; A206-Y322 HydrophobicContact CB-CD1 3.82Å; A206-Y322 HydrophobicContact CB-CD2 4.29Å; A206-Y322 HydrophobicContact CB-CE1 4.17Å; A206-Y322 HydrophobicContact CB-CG 3.9Å; F219-Y322 HydrophobicContact CB-CE2 3.89Å; F219-Y322 WeakPolarHBondContact CB-OH 3.44Å; F219-Y322 HydrophobicContact CD2-CE2 4.47Å; F219-Y322 HydrophobicContact CG-CE2 4.07Å; E300-Y322 CarbonylContact C-O 3.52Å; E300-Y322 WeakPolarHBondContact CA-O 3.42Å; V301-Y322 PolarHBondContact N-O 3.46Å; V301-Y322 PolarHBondContact O-N 3.46Å; V303-Y322 HydrophobicContact CG1-CD2 4.18Å; V303-Y322 HydrophobicContact CG1-CE2 3.88Å; V303-Y322 HydrophobicContact CG2-CE2 3.85Å; Y322-E326 VanDerWaalsContact CA-OE2 3.31Å; Y322-E326 WeakPolarHBondContact CA-OE2 3.19Å
323	M	94.8	Very high	94.5	Very high	15 Å²	15	36.9 Å²	36.9	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	164.4	167.2	-74.8	-149.5	168.7	0	0	111.2	R50 R52 T325 E326 V327	R50-M323 HydrophobicContact CB-CE 4.46Å; R50-M323 HydrophobicContact CG-CE 4.4Å; R50-M323 PolarHBondContact NH2-SD 3.13Å; R50-M323 WeakPolarHBondContact O-CE 3.39Å; R52-M323 HydrophobicContact CB-CE 3.32Å; R52-M323 HydrophobicContact CG-CE 4.38Å; R52-M323 VanDerWaalsContact N-CE 3.32Å; M323-T325 PolarHBondContact O-N 2.85Å; M323-E326 HydrophobicContact CB-CG 4.28Å; M323-E326 PolarHBondContact N-OE2 2.98Å; M323-E326 CarbonylContact O-C 3.55Å; M323-E326 WeakPolarHBondContact O-CA 3.39Å; M323-E326 WeakPolarHBondContact O-CB 3.32Å; M323-E326 PolarHBondContact O-N 3.39Å; M323-V327 WeakPolarHBondContact O-CG2 3.32Å; M323-V327 PolarHBondContact O-N 2.73Å
324	D	92.3	Very high	94.9	Very high	21 Å²	21	36.3 Å²	36.3	11%	0.112	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-45.5	-44.6	169.7	60.6	-62.7	0	0	0	112.9	R50 E297 F299 E326 V327	R50-D324 IonicContact CZ-OD1 2.61Å; R50-D324 IonicContact NE-OD1 2.93Å; R50-D324 IonicContact NH2-OD1 3.74Å; R50-D324 PolarHBondContact NH2-OD1 3.21Å; E297-D324 WeakPolarHBondContact O-CB 3.42Å; F299-D324 HydrophobicContact CD1-CB 4.2Å; F299-D324 HydrophobicContact CE1-CB 3.83Å; F299-D324 HydrophobicContact CZ-CB 4.2Å; F299-D324 PolarHBondContact O-N 3.5Å; D324-E326 PolarHBondContact O-N 3.36Å; D324-V327 PolarHBondContact O-N 3.04Å
325	T	92.9	Very high	95.1	Very high	102 Å²	102	38 Å²	38	63%	0.626	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-70.4	-16.4	178.3	60.9	0	0	0	0	114.3	M323	M323-T325 PolarHBondContact O-N 2.85Å
326	E	95.5	Very high	95.2	Very high	34 Å²	34	33.1 Å²	33.1	16%	0.159	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-100.2	2.8	-178.2	-59.4	169.3	155.4	0	0	111.7	R52 K56 N205 A206 Y322 M323 D324	R52-E326 IonicContact CZ-OE1 3.82Å; R52-E326 IonicContact CZ-OE2 2.64Å; R52-E326 IonicContact NH1-OE1 3.35Å; R52-E326 PolarHBondContact NH1-OE1 2.78Å; R52-E326 IonicContact NH1-OE2 2.81Å; R52-E326 IonicContact NH2-OE1 2.78Å; R52-E326 PolarHBondContact NH2-OE1 3.09Å; R52-E326 IonicContact NH2-OE2 3.02Å; R52-E326 PolarHBondContact NH2-OE2 2.93Å; K56-E326 WeakPolarHBondContact CE-OE1 3.43Å; K56-E326 WeakPolarHBondContact CE-OE2 3.24Å; K56-E326 VanDerWaalsContact NZ-CD 3.31Å; K56-E326 IonicContact NZ-OE1 2.78Å; K56-E326 IonicContact NZ-OE2 3.52Å; K56-E326 PolarHBondContact NZ-OE2 3.15Å; N205-E326 CarbonylContact C-O 3.44Å; N205-E326 VanDerWaalsContact CA-O 3.28Å; N205-E326 WeakPolarHBondContact CA-O 3.46Å; A206-E326 PolarHBondContact N-O 2.86Å; Y322-E326 VanDerWaalsContact CA-OE2 3.31Å; Y322-E326 WeakPolarHBondContact CA-OE2 3.19Å; M323-E326 HydrophobicContact CB-CG 4.28Å; M323-E326 PolarHBondContact N-OE2 2.98Å; M323-E326 CarbonylContact O-C 3.55Å; M323-E326 WeakPolarHBondContact O-CA 3.39Å; M323-E326 WeakPolarHBondContact O-CB 3.32Å; M323-E326 PolarHBondContact O-N 3.39Å; D324-E326 PolarHBondContact O-N 3.36Å
327	V	96.3	Very high	95.3	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.2	172.8	-175.7	0	0	0	0	109.2	A206 I208 L217 L294 F299 M323 D324	A206-V327 HydrophobicContact CB-CG2 4.28Å; A206-V327 CarbonylContact O-C 3.59Å; A206-V327 WeakPolarHBondContact O-CA 3.37Å; I208-V327 HydrophobicContact CD1-CG1 3.62Å; I208-V327 HydrophobicContact CG1-CG1 3.82Å; L217-V327 HydrophobicContact CD1-CG1 4.49Å; L294-V327 HydrophobicContact CD1-CG1 4.39Å; L294-V327 HydrophobicContact CD2-CB 4.34Å; L294-V327 HydrophobicContact CD2-CG1 4.14Å; F299-V327 HydrophobicContact CE2-CG2 4.09Å; F299-V327 HydrophobicContact CZ-CG2 4.14Å; M323-V327 WeakPolarHBondContact O-CG2 3.32Å; M323-V327 PolarHBondContact O-N 2.73Å; D324-V327 PolarHBondContact O-N 3.04Å
328	L	96.4	Very high	95.3	Very high	41 Å²	41	36.4 Å²	36.4	22%	0.215	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.3	-177.8	-56.3	-179.4	0	0	0	111.1	N205 A206 V207 I208 H331	N205-L328 HydrophobicContact CB-CD1 4.04Å; N205-L328 HydrophobicContact CB-CG 4.16Å; N205-L328 WeakPolarHBondContact ND2-CD1 3.4Å; A206-L328 PolarHBondContact O-N 3.2Å; V207-L328 CarbonylContact C-O 3.6Å; V207-L328 VanDerWaalsContact CA-O 3.29Å; V207-L328 WeakPolarHBondContact CA-O 3.32Å; V207-L328 HydrophobicContact CG1-CB 4.34Å; I208-L328 PolarHBondContact N-O 3.48Å; L328-H331 HydrophobicContact CB-CB 3.96Å
329	W	96.2	Very high	95.3	Very high	21 Å²	21	42.3 Å²	42.3	8%	0.08	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.9	174.8	-168.1	-76.9	0	0	0	111.6	I208 L215 Q291 L294 H331 P360 C362	I208-W329 HydrophobicContact CB-CD2 4.44Å; I208-W329 HydrophobicContact CB-CE3 4.15Å; I208-W329 HydrophobicContact CD1-CE3 3.86Å; I208-W329 HydrophobicContact CD1-CZ3 4.1Å; I208-W329 HydrophobicContact CG2-CD2 4.15Å; I208-W329 HydrophobicContact CG2-CE3 3.87Å; I208-W329 HydrophobicContact CG2-CH2 4.42Å; I208-W329 HydrophobicContact CG2-CZ3 4.03Å; L215-W329 HydrophobicContact CD1-CZ2 4.33Å; L215-W329 HydrophobicContact CD2-CH2 3.56Å; L215-W329 HydrophobicContact CD2-CZ2 3.95Å; L215-W329 HydrophobicContact CD2-CZ3 4.28Å; Q291-W329 HydrophobicContact CB-CD2 3.77Å; Q291-W329 HydrophobicContact CB-CE3 4.3Å; Q291-W329 HydrophobicContact CB-CG 3.88Å; Q291-W329 HydrophobicContact CB-CZ2 4.33Å; Q291-W329 HydrophobicContact CG-CB 3.89Å; Q291-W329 HydrophobicContact CG-CD2 4.07Å; Q291-W329 HydrophobicContact CG-CG 3.63Å; L294-W329 HydrophobicContact CD2-CB 4.37Å; L294-W329 HydrophobicContact CD2-CE3 4.22Å; W329-H331 PolarHBondContact O-CD2 3.33Å; W329-P360 WeakPolarHBondContact CZ2-O 3.42Å; W329-P360 PolarHBondContact NE1-O 3.39Å; W329-C362 WeakPolarHBondContact CZ2-O 3.27Å
330	G	95.6	Very high	95	Very high	8 Å²	8	43.1 Å²	43.1	8%	0.082	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	12.9	179.5	0	0	0	0	0	114.7	I208 E356 T357	I208-G330 WeakPolarHBondContact O-CA 3.38Å; I208-G330 PolarHBondContact O-N 3.48Å; G330-E356 CarbonylContact O-C 3.54Å; G330-T357 WeakPolarHBondContact O-CA 3.39Å; G330-T357 PolarHBondContact O-N 3.1Å; G330-T357 PolarHBondContact O-OG1 3.29Å
331	H	97	Very high	94.6	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.134	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	155.6	179.9	-78.2	-123.1	0	0	0	112.6	V207 S209 L328 W329 T354 Y355 E356	V207-H331 HydrophobicContact CB-CB 3.91Å; V207-H331 WeakPolarHBondContact CB-O 3.39Å; V207-H331 HydrophobicContact CG1-CB 3.65Å; S209-H331 VanDerWaalsContact CB-O 3.25Å; S209-H331 WeakPolarHBondContact CB-O 3.29Å; S209-H331 PolarHBondContact OG-O 3.35Å; L328-H331 HydrophobicContact CB-CB 3.96Å; W329-H331 PolarHBondContact O-CD2 3.33Å; H331-T354 PolarHBondContact ND1-OG1 3.02Å; H331-T354 VanDerWaalsContact ND1-OG1 3.1Å; H331-Y355 CarbonylContact C-O 3.59Å; H331-Y355 WeakPolarHBondContact CA-O 3.32Å; H331-E356 VanDerWaalsContact NE2-CG 3.3Å; H331-E356 WeakPolarHBondContact NE2-CG 3.28Å; H331-E356 IonicContact NE2-OE1 3.82Å
332	R	96.8	Very high	94.2	Very high	103 Å²	103	57.1 Å²	57.1	39%	0.389	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.4	166.9	-72.9	-170	-176	166.6	-3	110.2	S209 M210 T354 Y355 T357	S209-R332 VanDerWaalsContact OG-CG 3.29Å; S209-R332 WeakPolarHBondContact OG-CG 3.27Å; M210-R332 PolarHBondContact O-NH2 3.35Å; R332-T354 CarbonylContact O-C 3.56Å; R332-T354 WeakPolarHBondContact O-CA 3.35Å; R332-T354 WeakPolarHBondContact O-CB 3.47Å; R332-Y355 HydrophobicContact CB-CE1 3.91Å; R332-Y355 HydrophobicContact CB-CE2 4Å; R332-Y355 PolarHBondContact N-O 3.04Å; R332-Y355 WeakPolarHBondContact O-CD1 3.45Å; R332-Y355 PolarHBondContact O-N 3.41Å; R332-T357 HydrophobicContact CB-CG2 4.07Å; R332-T357 HydrophobicContact CG-CG2 3.81Å
333	F	97.6	Very high	93.9	Very high	12 Å²	12	62.2 Å²	62.2	5%	0.053	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.4	175.8	-71.8	-75.8	0	0	0	111.9	N205 V207 M218 R220 I275 T354 Y355	N205-F333 WeakPolarHBondContact O-CZ 3.38Å; V207-F333 HydrophobicContact CG1-CE2 4.35Å; V207-F333 HydrophobicContact CG1-CZ 4.23Å; V207-F333 HydrophobicContact CG2-CD2 3.82Å; V207-F333 HydrophobicContact CG2-CE2 3.6Å; V207-F333 HydrophobicContact CG2-CZ 4.27Å; M218-F333 HydrophobicContact CB-CE2 4.3Å; R220-F333 HydrophobicContact CB-CD1 4.43Å; R220-F333 HydrophobicContact CB-CE1 4.19Å; R220-F333 HydrophobicContact CB-CE2 4.35Å; R220-F333 HydrophobicContact CB-CZ 4.16Å; R220-F333 VanDerWaalsContact NH2-CB 3.26Å; I275-F333 HydrophobicContact CD1-CB 3.99Å; I275-F333 HydrophobicContact CD1-CD2 4.12Å; I275-F333 HydrophobicContact CD1-CG 4.44Å; I275-F333 HydrophobicContact CG1-CD2 4.21Å; I275-F333 HydrophobicContact CG2-CD2 4.15Å; I275-F333 HydrophobicContact CG2-CE2 4.42Å; F333-T354 HydrophobicContact CD1-CG2 3.69Å; F333-T354 HydrophobicContact CE1-CG2 3.82Å; F333-T354 HydrophobicContact CG-CG2 4.44Å; F333-Y355 WeakPolarHBondContact O-CE1 3.35Å
334	T	96.5	Very high	93.8	Very high	39 Å²	39	70 Å²	70	24%	0.239	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-63.3	133.8	173.3	-55.8	0	0	0	0	110.1	R220 V336 T350 D353	R220-T334 PolarHBondContact NH1-O 3.36Å; R220-T334 PolarHBondContact NH2-O 2.88Å; T334-V336 PolarHBondContact O-N 2.93Å; T334-T350 HydrophobicContact CG2-CG2 4.47Å; T334-D353 PolarHBondContact N-O 3.49Å; T334-D353 PolarHBondContact OG1-O 3.27Å
335	P	94.8	Very high	93.8	Very high	99 Å²	99	73 Å²	73	64%	0.643	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-58.2	136	175.4	-22.7	33.6	0	0	0	111.6
336	V	94.6	Very high	93.9	Very high	8 Å²	8	69.8 Å²	69.8	5%	0.048	36%	0.36	C	S	.	.			trans	-112.3	-9.6	-176.8	-63.4	0	0	0	0	113.6	P273 T334 V346 D347	P273-V336 HydrophobicContact CB-CG2 4.06Å; P273-V336 HydrophobicContact CG-CG2 4.16Å; T334-V336 PolarHBondContact O-N 2.93Å; V336-V346 HydrophobicContact CG2-CG1 4.41Å; V336-V346 WeakPolarHBondContact O-CA 3.23Å; V336-D347 PolarHBondContact O-N 3.1Å
337	L	93.7	Very high	93.8	Very high	79 Å²	79	70.8 Å²	70.8	41%	0.414	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.1	-176.3	-82.2	165.2	0	0	0	109.9	V346	L337-V346 HydrophobicContact CD2-CG2 3.55Å; L337-V346 HydrophobicContact CG-CG2 4.44Å
338	T	92.5	Very high	93.7	Very high	69 Å²	69	73.9 Å²	73.9	42%	0.423	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.5	170.9	51.2	0	0	0	0	109.4	E345	T338-E345 PolarHBondContact N-O 3.37Å; T338-E345 PolarHBondContact O-N 3.21Å; T338-E345 PolarHBondContact OG1-O 2.93Å
339	L	93.3	Very high	93.5	Very high	128 Å²	128	78.4 Å²	78.4	67%	0.67	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	107	174.7	-178.9	65.8	0	0	0	108.5	Y344	L339-Y344 HydrophobicContact CD1-CD1 4.07Å; L339-Y344 HydrophobicContact CD1-CE1 3.87Å; L339-Y344 HydrophobicContact CD1-CE2 4.46Å; L339-Y344 HydrophobicContact CD1-CG 4.46Å
340	E	89.3	Confident	93.4	Very high	90 Å²	90	78.9 Å²	78.9	42%	0.421	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	171.6	169.3	-65.3	-143.6	135.7	0	0	110.5	G342 F343 E345	E340-G342 PolarHBondContact O-N 2.98Å; E340-F343 CarbonylContact C-O 3.54Å; E340-F343 HydrophobicContact CB-CD2 4.34Å; E340-F343 HydrophobicContact CB-CE1 4.15Å; E340-F343 HydrophobicContact CB-CE2 3.85Å; E340-F343 HydrophobicContact CB-CZ 3.74Å; E340-F343 HydrophobicContact CG-CE2 4.32Å; E340-F343 HydrophobicContact CG-CZ 4.41Å; E340-F343 PolarHBondContact N-O 2.94Å; E340-F343 PolarHBondContact O-N 3.08Å; E340-F343 VanDerWaalsContact O-O 3.1Å; E340-F343 WeakPolarHBondContact OE2-CZ 3.39Å; E340-E345 HydrophobicContact CG-CB 4.1Å; E340-E345 WeakPolarHBondContact CG-OE2 3.49Å
341	K	88	Confident	93.5	Very high	213 Å²	213	78.5 Å²	78.5	93%	0.926	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	91.4	-173.7	-69.6	-178	-177.7	176.3	0	111.7
342	G	88.3	Confident	93.4	Very high	84 Å²	84	79.8 Å²	79.8	87%	0.866	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	0.7	173.8	0	0	0	0	0	115.6	E340	E340-G342 PolarHBondContact O-N 2.98Å
343	F	89.9	Confident	93.4	Very high	109 Å²	109	78.6 Å²	78.6	48%	0.478	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.7	176.8	61.3	-86.1	0	0	0	112	E340 E345	E340-F343 CarbonylContact C-O 3.54Å; E340-F343 HydrophobicContact CB-CD2 4.34Å; E340-F343 HydrophobicContact CB-CE1 4.15Å; E340-F343 HydrophobicContact CB-CE2 3.85Å; E340-F343 HydrophobicContact CB-CZ 3.74Å; E340-F343 HydrophobicContact CG-CE2 4.32Å; E340-F343 HydrophobicContact CG-CZ 4.41Å; E340-F343 PolarHBondContact N-O 2.94Å; E340-F343 PolarHBondContact O-N 3.08Å; E340-F343 VanDerWaalsContact O-O 3.1Å; E340-F343 WeakPolarHBondContact OE2-CZ 3.39Å; F343-E345 HydrophobicContact CD2-CB 4.41Å; F343-E345 HydrophobicContact CE2-CB 4.11Å
344	Y	92.9	Very high	93.4	Very high	177 Å²	177	79.9 Å²	79.9	69%	0.694	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.9	170	-71.1	-82.3	0	0	0	109.1	L339	L339-Y344 HydrophobicContact CD1-CD1 4.07Å; L339-Y344 HydrophobicContact CD1-CE1 3.87Å; L339-Y344 HydrophobicContact CD1-CE2 4.46Å; L339-Y344 HydrophobicContact CD1-CG 4.46Å
345	E	92.8	Very high	93.4	Very high	84 Å²	84	82.8 Å²	82.8	39%	0.393	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.2	173.6	-169.7	-179.7	-163.9	0	0	109.6	T338 E340 F343	T338-E345 PolarHBondContact N-O 3.37Å; T338-E345 PolarHBondContact O-N 3.21Å; T338-E345 PolarHBondContact OG1-O 2.93Å; E340-E345 HydrophobicContact CG-CB 4.1Å; E340-E345 WeakPolarHBondContact CG-OE2 3.49Å; F343-E345 HydrophobicContact CD2-CB 4.41Å; F343-E345 HydrophobicContact CE2-CB 4.11Å
346	V	94.1	Very high	93.5	Very high	36 Å²	36	85.6 Å²	85.6	22%	0.218	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.3	175.8	178.5	0	0	0	0	108.1	P273 V336 L337 Y348	P273-V346 HydrophobicContact CG-CG1 3.64Å; V336-V346 HydrophobicContact CG2-CG1 4.41Å; V336-V346 WeakPolarHBondContact O-CA 3.23Å; L337-V346 HydrophobicContact CD2-CG2 3.55Å; L337-V346 HydrophobicContact CG-CG2 4.44Å; V346-Y348 HydrophobicContact CB-CE2 4.14Å; V346-Y348 HydrophobicContact CG1-CD2 4.01Å; V346-Y348 HydrophobicContact CG1-CE1 4.3Å; V346-Y348 HydrophobicContact CG1-CE2 3.72Å; V346-Y348 HydrophobicContact CG1-CG 4.43Å; V346-Y348 PolarHBondContact O-N 3.49Å
347	D	93.7	Very high	93.4	Very high	54 Å²	54	86.7 Å²	86.7	29%	0.289	44%	0.439	S	S	.	.			trans	-83.9	105.3	171.4	178.4	23.1	0	0	0	110.5	V336 N349 T350	V336-D347 PolarHBondContact O-N 3.1Å; D347-N349 VanDerWaalsContact C-N 3.26Å; D347-N349 PolarHBondContact O-N 2.83Å; D347-N349 VanDerWaalsContact OD1-CB 3.27Å; D347-N349 WeakPolarHBondContact OD1-CB 3.3Å; D347-N349 PolarHBondContact OD1-N 2.9Å; D347-N349 PolarHBondContact OD1-ND2 3.37Å; D347-T350 PolarHBondContact O-OG1 3.48Å; D347-T350 WeakPolarHBondContact OD2-CG2 3.23Å; D347-T350 PolarHBondContact OD2-OG1 3.22Å
348	Y	92.8	Very high	93.3	Very high	68 Å²	68	90.9 Å²	90.9	27%	0.267	46%	0.462	S	S	.	.	S	Bend	trans	-75.1	-11.8	177.8	-79.7	-78.2	0	0	0	113.9	M201 D223 L224 P273 V346 T350 F351	M201-Y348 HydrophobicContact CE-CD1 3.49Å; M201-Y348 VanDerWaalsContact CE-CD1 3.49Å; M201-Y348 HydrophobicContact CE-CE1 3.78Å; D223-Y348 PolarHBondContact O-OH 2.78Å; L224-Y348 HydrophobicContact CD2-CD1 3.9Å; L224-Y348 HydrophobicContact CD2-CD2 4.33Å; L224-Y348 HydrophobicContact CD2-CE1 3.88Å; L224-Y348 HydrophobicContact CD2-CE2 4.3Å; L224-Y348 HydrophobicContact CD2-CG 4.13Å; P273-Y348 HydrophobicContact CG-CE1 4Å; V346-Y348 HydrophobicContact CB-CE2 4.14Å; V346-Y348 HydrophobicContact CG1-CD2 4.01Å; V346-Y348 HydrophobicContact CG1-CE1 4.3Å; V346-Y348 HydrophobicContact CG1-CE2 3.72Å; V346-Y348 HydrophobicContact CG1-CG 4.43Å; V346-Y348 PolarHBondContact O-N 3.49Å; Y348-T350 VanDerWaalsContact C-N 3.33Å; Y348-F351 HydrophobicContact CD1-CB 4.22Å; Y348-F351 AromaticContact CD1-CD2 3.89Å; Y348-F351 HydrophobicContact CD1-CD2 3.89Å; Y348-F351 HydrophobicContact CD1-CG 4.23Å; Y348-F351 AromaticContact CE1-CD2 4Å; Y348-F351 HydrophobicContact CE1-CD2 4Å; Y348-F351 HydrophobicContact CE1-CE2 4.35Å; Y348-F351 WeakPolarHBondContact O-CB 3.29Å; Y348-F351 PolarHBondContact O-N 3.32Å
349	N	93.8	Very high	93.3	Very high	137 Å²	137	88.6 Å²	88.6	73%	0.733	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-66.2	-40.2	176.4	-60.7	-59.8	0	0	0	111	D347 F351	D347-N349 VanDerWaalsContact C-N 3.26Å; D347-N349 PolarHBondContact O-N 2.83Å; D347-N349 VanDerWaalsContact OD1-CB 3.27Å; D347-N349 WeakPolarHBondContact OD1-CB 3.3Å; D347-N349 PolarHBondContact OD1-N 2.9Å; D347-N349 PolarHBondContact OD1-ND2 3.37Å; N349-F351 VanDerWaalsContact C-N 3.26Å; N349-F351 PolarHBondContact O-N 3.39Å
350	T	94.3	Very high	93.2	Very high	30 Å²	30	84.5 Å²	84.5	18%	0.184	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-86.2	7.8	177.6	54.4	0	0	0	0	113.2	R220 T334 D347 Y348 H352 D353	R220-T350 PolarHBondContact NH1-O 3.21Å; T334-T350 HydrophobicContact CG2-CG2 4.47Å; D347-T350 PolarHBondContact O-OG1 3.48Å; D347-T350 WeakPolarHBondContact OD2-CG2 3.23Å; D347-T350 PolarHBondContact OD2-OG1 3.22Å; Y348-T350 VanDerWaalsContact C-N 3.33Å; T350-H352 VanDerWaalsContact C-N 3.34Å; T350-H352 PolarHBondContact O-N 3.27Å; T350-D353 PolarHBondContact O-N 3.39Å
351	F	96	Very high	93.2	Very high	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-60.7	-40.9	-176.9	179.1	-88	0	0	0	112.8	M201 R220 P273 Y348 N349	M201-F351 HydrophobicContact CB-CE1 4.14Å; M201-F351 HydrophobicContact CB-CZ 4.11Å; M201-F351 HydrophobicContact CE-CD1 4.18Å; M201-F351 HydrophobicContact CE-CD2 4.39Å; M201-F351 HydrophobicContact CE-CE1 4.26Å; M201-F351 HydrophobicContact CE-CE2 4.46Å; M201-F351 HydrophobicContact CE-CG 4.25Å; M201-F351 HydrophobicContact CE-CZ 4.41Å; R220-F351 HydrophobicContact CB-CZ 4.43Å; R220-F351 WeakPolarHBondContact CD-O 3.39Å; R220-F351 HydrophobicContact CG-CD2 4.29Å; R220-F351 HydrophobicContact CG-CE1 4.5Å; R220-F351 HydrophobicContact CG-CE2 3.71Å; R220-F351 HydrophobicContact CG-CZ 3.82Å; R220-F351 PolarHBondContact NH1-O 3.07Å; P273-F351 HydrophobicContact CB-CD2 4.02Å; P273-F351 HydrophobicContact CB-CE2 3.76Å; P273-F351 HydrophobicContact CG-CD2 3.9Å; P273-F351 HydrophobicContact CG-CE2 3.91Å; Y348-F351 HydrophobicContact CD1-CB 4.22Å; Y348-F351 AromaticContact CD1-CD2 3.89Å; Y348-F351 HydrophobicContact CD1-CD2 3.89Å; Y348-F351 HydrophobicContact CD1-CG 4.23Å; Y348-F351 AromaticContact CE1-CD2 4Å; Y348-F351 HydrophobicContact CE1-CD2 4Å; Y348-F351 HydrophobicContact CE1-CE2 4.35Å; Y348-F351 WeakPolarHBondContact O-CB 3.29Å; Y348-F351 PolarHBondContact O-N 3.32Å; N349-F351 VanDerWaalsContact C-N 3.26Å; N349-F351 PolarHBondContact O-N 3.39Å
352	H	96.8	Very high	93.3	Very high	56 Å²	56	74.6 Å²	74.6	26%	0.259	40%	0.396	S	S	.	.	S	Bend	trans	-90.6	-8.7	-179	-56.6	-82.6	0	0	0	112.9	N204 T350	N204-H352 PolarHBondContact N-ND1 2.84Å; N204-H352 PolarHBondContact OD1-ND1 3.33Å; T350-H352 VanDerWaalsContact C-N 3.34Å; T350-H352 PolarHBondContact O-N 3.27Å
353	D	96.8	Very high	93.5	Very high	79 Å²	79	70.9 Å²	70.9	42%	0.422	36%	0.357	S	S	.	.			trans	-74.2	141.6	-170.5	-70.2	-9.4	0	0	0	112.2	T334 T350	T334-D353 PolarHBondContact N-O 3.49Å; T334-D353 PolarHBondContact OG1-O 3.27Å; T350-D353 PolarHBondContact O-N 3.39Å
354	T	97.3	Very high	93.5	Very high	39 Å²	39	66 Å²	66	24%	0.239	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.9	177.9	67.7	0	0	0	0	110.1	V207 H331 R332 F333	V207-T354 HydrophobicContact CG1-CG2 3.65Å; H331-T354 PolarHBondContact ND1-OG1 3.02Å; H331-T354 VanDerWaalsContact ND1-OG1 3.1Å; R332-T354 CarbonylContact O-C 3.56Å; R332-T354 WeakPolarHBondContact O-CA 3.35Å; R332-T354 WeakPolarHBondContact O-CB 3.47Å; F333-T354 HydrophobicContact CD1-CG2 3.69Å; F333-T354 HydrophobicContact CE1-CG2 3.82Å; F333-T354 HydrophobicContact CG-CG2 4.44Å
355	Y	96.5	Very high	93.5	Very high	99 Å²	99	60.9 Å²	60.9	39%	0.388	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.6	175.6	64.4	-88.1	0	0	0	110.6	H331 R332 F333 T357	H331-Y355 CarbonylContact C-O 3.59Å; H331-Y355 WeakPolarHBondContact CA-O 3.32Å; R332-Y355 HydrophobicContact CB-CE1 3.91Å; R332-Y355 HydrophobicContact CB-CE2 4Å; R332-Y355 PolarHBondContact N-O 3.04Å; R332-Y355 WeakPolarHBondContact O-CD1 3.45Å; R332-Y355 PolarHBondContact O-N 3.41Å; F333-Y355 WeakPolarHBondContact O-CE1 3.35Å; Y355-T357 HydrophobicContact CD2-CG2 3.73Å; Y355-T357 HydrophobicContact CE2-CG2 3.37Å
356	E	95.9	Very high	93.4	Very high	158 Å²	158	61.3 Å²	61.3	74%	0.738	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	145.4	179.2	-75.6	179.9	-164.4	0	0	112.1	G330 H331	G330-E356 CarbonylContact O-C 3.54Å; H331-E356 VanDerWaalsContact NE2-CG 3.3Å; H331-E356 WeakPolarHBondContact NE2-CG 3.28Å; H331-E356 IonicContact NE2-OE1 3.82Å
357	T	93.8	Very high	93.2	Very high	31 Å²	31	60.4 Å²	60.4	19%	0.19	31%	0.314	C	S	.	.			trans	-141.9	147.6	-179.6	58	0	0	0	0	110.8	G330 R332 Y355 T359	G330-T357 WeakPolarHBondContact O-CA 3.39Å; G330-T357 PolarHBondContact O-N 3.1Å; G330-T357 PolarHBondContact O-OG1 3.29Å; R332-T357 HydrophobicContact CB-CG2 4.07Å; R332-T357 HydrophobicContact CG-CG2 3.81Å; Y355-T357 HydrophobicContact CD2-CG2 3.73Å; Y355-T357 HydrophobicContact CE2-CG2 3.37Å; T357-T359 PolarHBondContact O-N 3.42Å; T357-T359 PolarHBondContact O-OG1 2.85Å; T357-T359 PolarHBondContact OG1-OG1 3.41Å
358	N	91.1	Very high	93	Very high	167 Å²	167	59.8 Å²	59.8	89%	0.893	32%	0.316	S	S	*	.			trans	-63.8	103.4	176.2	-70.2	-22.1	0	0	0	110.1
359	T	91.4	Very high	92.8	Very high	21 Å²	21	61.2 Å²	61.2	13%	0.129	33%	0.325	C	S	.	.			trans	-127.7	135	179.7	-62.1	0	0	0	0	108.2	M210 L215 T357	M210-T359 HydrophobicContact CG-CG2 4.18Å; L215-T359 HydrophobicContact CD1-CG2 3.98Å; T357-T359 PolarHBondContact O-N 3.42Å; T357-T359 PolarHBondContact O-OG1 2.85Å; T357-T359 PolarHBondContact OG1-OG1 3.41Å
360	P	91.1	Very high	92.4	Very high	42 Å²	42	57.6 Å²	57.6	27%	0.273	30%	0.304	S	S	.	.			trans	-57.5	143.2	176.1	-22.9	33.6	0	0	0	112.2	M210 W329 C362 L367	M210-P360 HydrophobicContact CG-CG 4.34Å; W329-P360 WeakPolarHBondContact CZ2-O 3.42Å; W329-P360 PolarHBondContact NE1-O 3.39Å; P360-C362 VanDerWaalsContact CB-SG 3.54Å; P360-L367 HydrophobicContact CB-CD1 4.32Å; P360-L367 HydrophobicContact CB-CD2 3.85Å; P360-L367 HydrophobicContact CG-CD1 4.47Å; P360-L367 HydrophobicContact CG-CD2 3.87Å
361	S	90.8	Very high	91.9	Very high	70 Å²	70	60.9 Å²	60.9	49%	0.49	32%	0.316	S	S	.	.	S	Bend	trans	-84.4	-12.7	177.8	-57.6	0	0	0	0	113.8	Q291	Q291-S361 PolarHBondContact N-O 3.07Å; Q291-S361 VanDerWaalsContact N-O 3.14Å; Q291-S361 VanDerWaalsContact OE1-CB 3.22Å; Q291-S361 PolarHBondContact OE1-OG 3.02Å
362	C	89.9	Confident	91.2	Very high	25 Å²	25	72 Å²	72	17%	0.169	36%	0.358	C	S	.	.	S	Bend	trans	-71.1	161.3	178.6	47.6	0	0	0	0	112.1	W329 P360 E366 L367 M370	W329-C362 WeakPolarHBondContact CZ2-O 3.27Å; P360-C362 VanDerWaalsContact CB-SG 3.54Å; C362-E366 HydrophobicContact CB-CB 4.13Å; C362-E366 WeakPolarHBondContact CB-OE2 3.5Å; C362-L367 WeakPolarHBondContact SG-CD2 3.39Å; C362-L367 WeakPolarHBondContact SG-CG 3.38Å; C362-M370 HydrophobicContact CB-CE 4.06Å
363	C	91.4	Very high	90.5	Very high	7 Å²	7	75 Å²	75	5%	0.047	37%	0.372	C	S	.	.			trans	-73.7	162.4	177.4	66.8	0	0	0	0	111.8	M289 K365 E366 L367	M289-C363 VanDerWaalsContact C-CB 3.46Å; M289-C363 WeakPolarHBondContact O-CA 3.43Å; M289-C363 WeakPolarHBondContact O-CB 3.49Å; C363-K365 PolarHBondContact O-N 3.23Å; C363-E366 PolarHBondContact O-N 3.35Å; C363-E366 VanDerWaalsContact SG-CD 3.58Å; C363-E366 WeakPolarHBondContact SG-CG 3.48Å; C363-E366 PolarHBondContact SG-N 2.99Å; C363-E366 VanDerWaalsContact SG-N 3.44Å; C363-L367 PolarHBondContact O-N 2.91Å
364	A	91.4	Very high	89.1	Confident	5 Å²	5	73.9 Å²	73.9	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-61.1	-34.5	-179.8	0	0	0	0	0	112.6	L215 I280 W287 L367 A368	L215-A364 HydrophobicContact CB-CB 4.35Å; L215-A364 HydrophobicContact CD2-CB 4.17Å; I280-A364 HydrophobicContact CB-CB 4.22Å; I280-A364 HydrophobicContact CG2-CB 3.56Å; W287-A364 HydrophobicContact CD2-CB 4.39Å; W287-A364 HydrophobicContact CE3-CB 3.51Å; W287-A364 HydrophobicContact CZ3-CB 3.69Å; W287-A364 PolarHBondContact O-N 2.93Å; A364-L367 WeakPolarHBondContact O-CB 3.2Å; A364-L367 PolarHBondContact O-N 2.91Å; A364-A368 WeakPolarHBondContact O-CB 3.3Å; A364-A368 PolarHBondContact O-N 2.95Å
365	K	92.4	Very high	87.5	Confident	71 Å²	71	80.1 Å²	80.1	31%	0.309	40%	0.399	S	S	.	.	H	α-helix	trans	-59.6	-52	173.2	-177	179.5	179.5	-179.4	0	112.9	W287 E288 C363 L367 A368 E369	W287-K365 HydrophobicContact CD2-CB 4.19Å; W287-K365 HydrophobicContact CG-CB 4.37Å; W287-K365 HydrophobicContact CZ2-CB 4.17Å; W287-K365 HydrophobicContact CZ2-CG 4.47Å; W287-K365 PolarHBondContact O-N 3.49Å; E288-K365 HydrophobicContact CG-CD 4.06Å; E288-K365 IonicContact OE1-NZ 2.79Å; E288-K365 PolarHBondContact OE1-NZ 3.39Å; C363-K365 PolarHBondContact O-N 3.23Å; K365-L367 VanDerWaalsContact C-N 3.28Å; K365-L367 PolarHBondContact O-N 2.78Å; K365-A368 PolarHBondContact O-N 2.88Å; K365-E369 WeakPolarHBondContact CE-OE1 3.48Å; K365-E369 WeakPolarHBondContact O-CG 3.43Å; K365-E369 PolarHBondContact O-N 3.2Å
366	E	91.1	Very high	85.5	Confident	92 Å²	92	78.9 Å²	78.9	43%	0.43	40%	0.398	S	S	.	.	H	α-helix	trans	-62.1	-38	177.5	-77.4	170.3	-168.7	0	0	111.3	C362 C363 E369 M370	C362-E366 HydrophobicContact CB-CB 4.13Å; C362-E366 WeakPolarHBondContact CB-OE2 3.5Å; C363-E366 PolarHBondContact O-N 3.35Å; C363-E366 VanDerWaalsContact SG-CD 3.58Å; C363-E366 WeakPolarHBondContact SG-CG 3.48Å; C363-E366 PolarHBondContact SG-N 2.99Å; C363-E366 VanDerWaalsContact SG-N 3.44Å; E366-E369 PolarHBondContact O-N 3.08Å; E366-M370 HydrophobicContact CB-CE 3.95Å; E366-M370 WeakPolarHBondContact O-CB 3.29Å; E366-M370 WeakPolarHBondContact O-CE 3.4Å; E366-M370 VanDerWaalsContact O-CG 3.31Å; E366-M370 WeakPolarHBondContact O-CG 3.42Å; E366-M370 PolarHBondContact O-N 3.5Å
367	L	89.3	Confident	83.3	Confident	18 Å²	18	79.5 Å²	79.5	9%	0.094	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-43.7	174	-77.6	169.9	0	0	0	112.3	M210 P360 C362 C363 A364 K365 M370 K371	M210-L367 HydrophobicContact SD-CD1 4.05Å; P360-L367 HydrophobicContact CB-CD1 4.32Å; P360-L367 HydrophobicContact CB-CD2 3.85Å; P360-L367 HydrophobicContact CG-CD1 4.47Å; P360-L367 HydrophobicContact CG-CD2 3.87Å; C362-L367 WeakPolarHBondContact SG-CD2 3.39Å; C362-L367 WeakPolarHBondContact SG-CG 3.38Å; C363-L367 PolarHBondContact O-N 2.91Å; A364-L367 WeakPolarHBondContact O-CB 3.2Å; A364-L367 PolarHBondContact O-N 2.91Å; K365-L367 VanDerWaalsContact C-N 3.28Å; K365-L367 PolarHBondContact O-N 2.78Å; L367-M370 PolarHBondContact O-N 2.03Å; L367-K371 WeakPolarHBondContact O-CB 3Å; L367-K371 PolarHBondContact O-N 2.94Å
368	A	88.6	Confident	81.1	Confident	41 Å²	41	86.3 Å²	86.3	34%	0.339	44%	0.435	S	S	.	.	H	α-helix	trans	-67.3	-39.4	177.6	0	0	0	0	0	112.1	W287 A364 K365 K371 R372	W287-A368 HydrophobicContact CH2-CB 3.5Å; W287-A368 VanDerWaalsContact CH2-CB 3.5Å; W287-A368 HydrophobicContact CZ2-CB 3.93Å; A364-A368 WeakPolarHBondContact O-CB 3.3Å; A364-A368 PolarHBondContact O-N 2.95Å; K365-A368 PolarHBondContact O-N 2.88Å; A368-K371 PolarHBondContact O-N 3.29Å; A368-R372 WeakPolarHBondContact O-CB 3.3Å; A368-R372 PolarHBondContact O-N 2.86Å
369	E	88.7	Confident	78.9	Confident	98 Å²	98	87.8 Å²	87.8	46%	0.458	43%	0.43	S	S	.	.	H	α-helix	trans	-63.1	-48.1	173.9	-72.5	174	-176.5	0	0	111.2	K365 E366 K371 R372 E373	K365-E369 WeakPolarHBondContact CE-OE1 3.48Å; K365-E369 WeakPolarHBondContact O-CG 3.43Å; K365-E369 PolarHBondContact O-N 3.2Å; E366-E369 PolarHBondContact O-N 3.08Å; E369-K371 VanDerWaalsContact C-N 3.28Å; E369-K371 PolarHBondContact O-N 2.95Å; E369-R372 WeakPolarHBondContact O-CB 3.03Å; E369-R372 PolarHBondContact O-N 3.33Å; E369-R372 VanDerWaalsContact O-N 3.09Å; E369-E373 WeakPolarHBondContact O-CG 3.32Å; E369-E373 PolarHBondContact O-N 2.78Å
370	M	85.3	Confident	76.3	Confident	60 Å²	60	94.4 Å²	94.4	30%	0.296	46%	0.463	S	S	.	.	H	α-helix	trans	-60.1	-36.7	175.6	-77.5	-173.5	-99.7	0	0	112.9	C362 E366 L367 E373 G374 R375	C362-M370 HydrophobicContact CB-CE 4.06Å; E366-M370 HydrophobicContact CB-CE 3.95Å; E366-M370 WeakPolarHBondContact O-CB 3.29Å; E366-M370 WeakPolarHBondContact O-CE 3.4Å; E366-M370 VanDerWaalsContact O-CG 3.31Å; E366-M370 WeakPolarHBondContact O-CG 3.42Å; E366-M370 PolarHBondContact O-N 3.5Å; L367-M370 PolarHBondContact O-N 2.03Å; M370-E373 PolarHBondContact O-N 2.91Å; M370-G374 PolarHBondContact O-N 3.37Å; M370-R375 PolarHBondContact O-N 2.88Å
371	K	83.6	Confident	73.8	Confident	99 Å²	99	98 Å²	98	43%	0.43	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-43.2	173.9	-167.1	172.5	-170.9	172.7	0	111.4	E213 L367 A368 E369 E373 G374 L376	E213-K371 WeakPolarHBondContact OE2-CE 3.45Å; E213-K371 IonicContact OE2-NZ 3.35Å; E213-K371 PolarHBondContact OE2-NZ 3.2Å; L367-K371 WeakPolarHBondContact O-CB 3Å; L367-K371 PolarHBondContact O-N 2.94Å; A368-K371 PolarHBondContact O-N 3.29Å; E369-K371 VanDerWaalsContact C-N 3.28Å; E369-K371 PolarHBondContact O-N 2.95Å; K371-E373 VanDerWaalsContact C-N 3.29Å; K371-E373 PolarHBondContact O-N 3.28Å; K371-G374 PolarHBondContact O-N 2.92Å; K371-G374 VanDerWaalsContact O-N 3.16Å; K371-L376 HydrophobicContact CB-CD1 3.64Å; K371-L376 HydrophobicContact CD-CD1 4.28Å; K371-L376 HydrophobicContact CG-CD1 3.82Å
372	R	81.4	Confident	71.2	Confident	233 Å²	233	99.5 Å²	99.5	88%	0.879	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-33.6	177.6	-156.9	178.8	92.6	174.3	5.6	112.3	A368 E369 G374	A368-R372 WeakPolarHBondContact O-CB 3.3Å; A368-R372 PolarHBondContact O-N 2.86Å; E369-R372 WeakPolarHBondContact O-CB 3.03Å; E369-R372 PolarHBondContact O-N 3.33Å; E369-R372 VanDerWaalsContact O-N 3.09Å; R372-G374 VanDerWaalsContact C-N 3.28Å
373	E	82.4	Confident	68.7	Low	119 Å²	119	103.4 Å²	103.4	56%	0.556	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.9	175.9	-68.7	-176	176.5	0	0	113.9	E369 M370 K371 R375	E369-E373 WeakPolarHBondContact O-CG 3.32Å; E369-E373 PolarHBondContact O-N 2.78Å; M370-E373 PolarHBondContact O-N 2.91Å; K371-E373 VanDerWaalsContact C-N 3.29Å; K371-E373 PolarHBondContact O-N 3.28Å; E373-R375 VanDerWaalsContact C-N 3.28Å; E373-R375 HydrophobicContact CB-CG 4.23Å; E373-R375 PolarHBondContact O-N 3.29Å; E373-R375 IonicContact OE2-CZ 3.58Å; E373-R375 IonicContact OE2-NE 3.53Å; E373-R375 IonicContact OE2-NH1 3.72Å
374	G	68.6	Low	66	Low	56 Å²	56	108.8 Å²	108.8	58%	0.577	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.7	18	179.4	0	0	0	0	0	114.7	M370 K371 R372	M370-G374 PolarHBondContact O-N 3.37Å; K371-G374 PolarHBondContact O-N 2.92Å; K371-G374 VanDerWaalsContact O-N 3.16Å; R372-G374 VanDerWaalsContact C-N 3.28Å
375	R	62.2	Low	63.3	Low	171 Å²	171	116.9 Å²	116.9	65%	0.645	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-86.6	-0.3	-175.1	-71.1	-176.8	175.4	-177.2	2.5	114.9	M370 E373 L377	M370-R375 PolarHBondContact O-N 2.88Å; E373-R375 VanDerWaalsContact C-N 3.28Å; E373-R375 HydrophobicContact CB-CG 4.23Å; E373-R375 PolarHBondContact O-N 3.29Å; E373-R375 IonicContact OE2-CZ 3.58Å; E373-R375 IonicContact OE2-NE 3.53Å; E373-R375 IonicContact OE2-NH1 3.72Å; R375-L377 PolarHBondContact O-N 3.38Å
376	L	55.9	Low	60.4	Low	73 Å²	73	122 Å²	122	38%	0.382	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-72.6	-3.3	-175.4	-102.4	163.4	0	0	0	115.4	K371 Q378	K371-L376 HydrophobicContact CB-CD1 3.64Å; K371-L376 HydrophobicContact CD-CD1 4.28Å; K371-L376 HydrophobicContact CG-CD1 3.82Å; L376-Q378 PolarHBondContact O-N 2.97Å; L376-Q378 VanDerWaalsContact O-N 3.16Å
377	L	49.8	Very low	57.5	Low	171 Å²	171	121.3 Å²	121.3	90%	0.895	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-74	5.3	177.5	-73.7	174.6	0	0	0	115	R375	R375-L377 PolarHBondContact O-N 3.38Å
378	Q	47.5	Very low	54.5	Low	173 Å²	173	124.1 Å²	124.1	81%	0.808	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-105.6	-1.2	-177.3	-94.8	175.4	-10.8	0	0	116.4	L376	L376-Q378 PolarHBondContact O-N 2.97Å; L376-Q378 VanDerWaalsContact O-N 3.16Å
379	Y	44.4	Very low	51.5	Low	199 Å²	199	128.7 Å²	128.7	78%	0.78	71%	0.708	S	S	*	*	S	Bend	trans	-119.1	8.3	-173.3	-83	-81.8	0	0	0	116.7
380	L	36.9	Very low	48.6	Very low	159 Å²	159	129 Å²	129	83%	0.832	73%	0.727	S	S	*	*	S	Bend	trans	-100.2	126.6	167.6	-77.8	163.5	0	0	0	109.6	S382	L380-S382 PolarHBondContact O-N 2.69Å
381	P	38.5	Very low	45.9	Very low	117 Å²	117	135.4 Å²	135.4	76%	0.76	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-64.3	128.6	166.5	-6.7	20.9	0	0	0	108.4
382	S	35.6	Very low	43.2	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-56.8	140.5	167.7	49.4	0	0	0	0	110.4	L380	L380-S382 PolarHBondContact O-N 2.69Å
383	P	37.4	Very low	40.5	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-60.9	144.9	167.2	26.4	-31	0	0	0	109.1	L385	P383-L385 PolarHBondContact O-N 3.16Å; P383-L385 VanDerWaalsContact O-N 3.12Å
384	P	35	Very low	37.9	Very low	119 Å²	119	129.6 Å²	129.6	77%	0.773	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-62.4	120.6	178.9	24.1	-30	0	0	0	109.4	L386	P384-L386 PolarHBondContact O-N 3.27Å; P384-L386 VanDerWaalsContact O-N 3.08Å
385	L	34	Very low	35.8	Very low	175 Å²	175	134 Å²	134	92%	0.916	79%	0.791	S	S	*	*			trans	-62.6	104.8	170.1	-71.7	168.5	0	0	0	108.7	P383 G387	P383-L385 PolarHBondContact O-N 3.16Å; P383-L385 VanDerWaalsContact O-N 3.12Å; L385-G387 PolarHBondContact O-N 3.08Å
386	L	33	Very low	34.3	Very low	178 Å²	178	130.3 Å²	130.3	93%	0.932	80%	0.797	S	S	*	*			trans	-77.8	93.4	159.8	-119.7	102.6	0	0	0	107.6	P384	P384-L386 PolarHBondContact O-N 3.27Å; P384-L386 VanDerWaalsContact O-N 3.08Å
387	G	29.3	Very low	32.9	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	82%	0.824	S	S	*	*			trans	-93.8	125.8	165.4	0	0	0	0	0	110.1	L385	L385-G387 PolarHBondContact O-N 3.08Å
388	G	26.8	Very low	31.8	Very low	78 Å²	78	132.8 Å²	132.8	80%	0.804	82%	0.818	S	S	*	*			trans	168.1	77.8	170.5	0	0	0	0	0	113.1
389	C	25.8	Very low	30.9	Very low	136 Å²	136	133.7 Å²	133.7	92%	0.919	82%	0.823	S	S	*	*			trans	-56.6	143.7	170.2	-70.6	0	0	0	0	112.8
390	A	26.8	Very low	30.1	Very low	104 Å²	104	132.9 Å²	132.9	86%	0.86	83%	0.826	S	S	*	*			trans	-140.6	124.2	143.8	0	0	0	0	0	108.8
391	E	28.7	Very low	29.6	Very low	195 Å²	195	133.2 Å²	133.2	91%	0.911	83%	0.829	S	S	*	*			trans	-65.9	147.3	178.7	-60.9	178.2	126.9	0	0	112.6
392	A	27.1	Very low	29.2	Very low	102 Å²	102	136 Å²	136	84%	0.843	83%	0.831	S	S	*	*			trans	-166.7	120.5	133.9	0	0	0	0	0	108.6
393	G	25.1	Very low	28.9	Very low	68 Å²	68	138 Å²	138	70%	0.701	83%	0.834	S	S	*	*			trans	-94.7	176.6	171	0	0	0	0	0	112.7
394	L	27	Very low	28.6	Very low	160 Å²	160	140.3 Å²	140.3	84%	0.838	84%	0.841	S	S	*	*			trans	73	128.4	165.2	-63.5	157.6	0	0	0	113.2
395	D	25.7	Very low	28.5	Very low	148 Å²	148	141.9 Å²	141.9	79%	0.791	84%	0.837	S	S	*	*			cis	-155.1	162.3	34	-80.6	-53.4	0	0	0	112.3
396	A	29.2	Very low	28.9	Very low	94 Å²	94	138.3 Å²	138.3	78%	0.777	83%	0.825	S	S	*	*			trans	-81.6	143.4	167.5	0	0	0	0	0	110.8
397	E	27.7	Very low	28.8	Very low	202 Å²	202	138.7 Å²	138.7	94%	0.944	82%	0.819	S	S	*	*			trans	-158	134.7	149.5	-112.9	167.6	-167.6	0	0	110.5
398	A	27.1	Very low	28.8	Very low	94 Å²	94	146 Å²	146	78%	0.777	82%	0.823	S	S	*	*			trans	-105.3	133.8	176.4	0	0	0	0	0	107.9
399	E	27.9	Very low	28.9	Very low	192 Å²	192	150.8 Å²	150.8	90%	0.897	83%	0.828	S	S	*	*			trans	-143.1	125.3	157.5	-76.8	-162.4	149.4	0	0	111
400	Q	26.7	Very low	29.1	Very low	181 Å²	181	147.5 Å²	147.5	85%	0.846	82%	0.818	S	S	*	*			trans	-71.6	150.5	160	-72.9	165.2	-61.9	0	0	109.5
401	N	27.9	Very low	30.1	Very low	167 Å²	167	148.9 Å²	148.9	89%	0.893	82%	0.818	S	S	*	*			trans	-161.6	134.3	133.3	-94	-29.9	0	0	0	111.4
402	E	29.7	Very low	30.1	Very low	174 Å²	174	145.5 Å²	145.5	81%	0.813	82%	0.816	S	S	*	*			trans	-82.9	178.7	173.6	-71.9	179	130.1	0	0	112.1
403	D	30	Very low	30.4	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	81%	0.813	S	S	*	*			trans	85.7	125.2	163.6	-54.4	-27.5	0	0	0	115.2
404	D	29.9	Very low	30.6	Very low	158 Å²	158	149.1 Å²	149.1	85%	0.845	82%	0.819	S	S	*	*			cis	-171.2	142	49.3	-139.4	-17.4	0	0	0	109.7
405	E	32.3	Very low	30.9	Very low	151 Å²	151	149.8 Å²	149.8	71%	0.706	82%	0.817	S	S	*	*			trans	-78.3	174.4	164	-132.4	-149.8	122.2	0	0	108.3	K407	E405-K407 PolarHBondContact OE1-N 3.39Å
406	P	42.9	Very low	31.2	Very low	101 Å²	101	150.8 Å²	150.8	66%	0.656	82%	0.823	S	S	*	*				-158.2	167	52.2	37	-11.1	0	0	0	118.6
407	K	30.3	Very low	31.5	Very low	186 Å²	186	154.6 Å²	154.6	81%	0.809	83%	0.825	S	S	*	*				134.4	104.8	128.4	-73.8	-177.3	-177	170.8	0	116.3	E405	E405-K407 PolarHBondContact OE1-N 3.39Å
408	R	29.4	Very low	31.9	Very low	232 Å²	232	149.9 Å²	149.9	88%	0.875	81%	0.809	S	S	*	*			trans	-20.6	141.4	141.7	-64.6	178.2	-172.3	-154.8	-0.2	116.4
409	L	30.4	Very low	32.3	Very low	177 Å²	177	151.2 Å²	151.2	93%	0.927	81%	0.808	S	S	*	*				-151.6	132.1	113.5	-125.8	100.6	0	0	0	109.5
410	G	30	Very low	32.6	Very low	68 Å²	68	146.2 Å²	146.2	70%	0.701	79%	0.794	S	S	*	*			trans	-89.5	-153.8	-179.2	0	0	0	0	0	113.9
411	P	46.5	Very low	33.2	Very low	133 Å²	133	144.8 Å²	144.8	86%	0.864	79%	0.792	S	S	*	*				-114.5	170.5	-119.2	38	-27.3	0	0	0	113.9
412	S	29.4	Very low	33.6	Very low	123 Å²	123	141.7 Å²	141.7	86%	0.86	78%	0.783	S	S	*	*			trans	-137.1	130.6	158.6	58	0	0	0	0	112.1
413	V	32.9	Very low	34.4	Very low	128 Å²	128	142 Å²	142	78%	0.776	78%	0.784	S	S	*	*			trans	-90.1	143.6	172.8	168.6	0	0	0	0	108.2
414	S	30	Very low	35.3	Very low	118 Å²	118	145.6 Å²	145.6	83%	0.825	81%	0.811	S	S	*	*			trans	-156.5	114.4	144.6	48	0	0	0	0	109.8
415	Q	33	Very low	35.6	Very low	174 Å²	174	145 Å²	145	81%	0.813	81%	0.81	S	S	*	*			trans	-60.7	145.9	158.7	-78.5	161.7	-56.6	0	0	109.7
416	D	32.1	Very low	35.8	Very low	170 Å²	170	144.7 Å²	144.7	91%	0.909	82%	0.815	S	S	*	*			trans	-141.5	136.7	134.5	-99.5	-30.6	0	0	0	110.8
417	Q	35.3	Very low	35.4	Very low	174 Å²	174	147.1 Å²	147.1	81%	0.813	82%	0.824	S	S	*	*			trans	-85.2	162.5	-178.3	-148.7	178.9	28.3	0	0	105.5
418	V	36.2	Very low	35.7	Very low	103 Å²	103	144.8 Å²	144.8	62%	0.624	83%	0.825	S	S	*	*				175.6	145.3	58.4	-168.7	0	0	0	0	107.2
419	T	35.1	Very low	36.1	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	82%	0.822	S	S	*	*			trans	62.3	147.7	144.5	47.3	0	0	0	0	122
420	S	35.4	Very low	36.4	Very low	87 Å²	87	136.9 Å²	136.9	61%	0.608	82%	0.815	S	S	*	*			cis	178.3	158.3	-6.9	50.8	0	0	0	0	110.4
421	L	38.8	Very low	36.9	Very low	151 Å²	151	141.8 Å²	141.8	79%	0.791	82%	0.823	S	S	*	*			trans	65.5	138.3	144.3	-70.3	154.2	0	0	0	118
422	S	36.8	Very low	36.2	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	82%	0.82	S	S	*	*			cis	-168.5	134.2	34.5	33.9	0	0	0	0	108.5
423	Q	45.9	Very low	36.7	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	82%	0.816	S	S	*	*				43.2	112	106.7	-81.9	-171.7	-21.9	0	0	116.8
424	V	49.3	Very low	37.1	Very low	221 Å²	221	145.5 Å²	145.5	100%	1.339	82%	0.82	S	S	*	*				-141.1	0	108.4	175.1	0	0	0	0	108.1

Retrieved 424 of 424 residues in 1301.5 ms (Link to these results)

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