A0A077Z996_TRITR Loading...

Putative phospholipase d3 protein

AlphaFold DB , UniProt , Accession A0A077Z996, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 501 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	33.8	Very low	243 Å²	243	166.8 Å²	166.8	100%	1.197	85%	0.846	S	S	*	*				0	81.1	0	-119.6	176.6	-162	0	0	107.8
2	Y	32.8	Very low	33.4	Very low	226 Å²	226	164.9 Å²	164.9	89%	0.886	84%	0.84	S	S	*	*			trans	-163.8	142.8	171.5	-104.6	-80.2	0	0	0	107.7
3	T	37.6	Very low	33.1	Very low	129 Å²	129	165.6 Å²	165.6	79%	0.791	85%	0.845	S	S	*	*			trans	66.2	111.2	160.7	61.2	0	0	0	0	121.2	D5	T3-D5 PolarHBondContact O-N 3.3Å
4	R	36.9	Very low	33	Very low	240 Å²	240	166.3 Å²	166.3	91%	0.906	84%	0.843	S	S	*	*			trans	-58.1	105.2	156	-106.2	178.9	150.7	167.3	-6.5	111.2
5	D	35.8	Very low	32.5	Very low	144 Å²	144	166.3 Å²	166.3	77%	0.77	84%	0.842	S	S	*	*			trans	16.9	135.7	135.1	59.7	-5.6	0	0	0	122.1	T3	T3-D5 PolarHBondContact O-N 3.3Å
6	G	31.5	Very low	32.5	Very low	75 Å²	75	166.1 Å²	166.1	77%	0.773	84%	0.844	S	S	*	*			trans	-178.9	-7.9	162	0	0	0	0	0	118.4
7	R	30.6	Very low	32.2	Very low	247 Å²	247	164.1 Å²	164.1	93%	0.932	84%	0.835	S	S	*	*			trans	-152.6	129.7	173.5	-61.8	-175	-170.5	172.7	2.9	112.8
8	P	34	Very low	32.1	Very low	127 Å²	127	166.6 Å²	166.6	83%	0.825	84%	0.839	S	S	*	*			trans	-103.5	118.4	148.7	18.4	-0.9	0	0	0	108.6
9	D	34.6	Very low	32.2	Very low	159 Å²	159	165.1 Å²	165.1	85%	0.85	83%	0.834	S	S	*	*				96.1	136.7	73.3	-159	14.1	0	0	0	111.6
10	L	30.5	Very low	32.4	Very low	139 Å²	139	163.3 Å²	163.3	73%	0.728	83%	0.832	S	S	*	*			trans	-88.1	148.7	-159.8	-122.8	87.2	0	0	0	111.5
11	T	30.2	Very low	32.5	Very low	106 Å²	106	166.2 Å²	166.2	65%	0.65	83%	0.832	S	S	*	*			trans	75.4	131.2	140.4	48.3	0	0	0	0	122.5
12	N	28.8	Very low	32.3	Very low	144 Å²	144	162.8 Å²	162.8	77%	0.77	82%	0.815	S	S	*	*			trans	80.1	106.9	147.6	-62.5	-11.2	0	0	0	119
13	L	29.3	Very low	32.3	Very low	174 Å²	174	161 Å²	161	91%	0.911	81%	0.812	S	S	*	*				-154.9	134.9	120.5	-138.3	80.2	0	0	0	111.3
14	E	32.8	Very low	32	Very low	175 Å²	175	163.7 Å²	163.7	82%	0.818	82%	0.816	S	S	*	*			trans	-67.9	163.1	177.9	-69	171.5	133.6	0	0	113.4
15	M	25	Very low	31.9	Very low	167 Å²	167	157.7 Å²	157.7	82%	0.823	81%	0.81	S	S	*	*			trans	-0.7	121.6	150.4	-71.8	166.4	37.5	0	0	117.3
16	D	31.9	Very low	31.7	Very low	163 Å²	163	156.9 Å²	156.9	87%	0.872	81%	0.811	S	S	*	*			trans	-137.8	127.7	148.5	-107.8	-25.1	0	0	0	111.6
17	L	27.9	Very low	31.9	Very low	132 Å²	132	162.6 Å²	162.6	69%	0.691	82%	0.817	S	S	*	*			trans	-56.5	138.7	170.5	-100.9	70.8	0	0	0	111.2	D19	L17-D19 HydrophobicContact CD2-CB 4.46Å
18	F	30.4	Very low	31.8	Very low	208 Å²	208	161.8 Å²	161.8	91%	0.912	81%	0.814	S	S	*	*			trans	-103.4	91.2	149.3	-101	-84.8	0	0	0	109.2
19	D	33.4	Very low	31.8	Very low	138 Å²	138	164.2 Å²	164.2	74%	0.738	82%	0.819	S	S	*	*			trans	-87.2	118.1	163.4	-144.4	-3.7	0	0	0	107.6	L17 R21	L17-D19 HydrophobicContact CD2-CB 4.46Å; D19-R21 PolarHBondContact O-N 3.44Å
20	V	37.6	Very low	31.7	Very low	130 Å²	130	160.3 Å²	160.3	79%	0.788	81%	0.809	S	S	*	*			trans	-85.7	103.1	176.8	178	0	0	0	0	108.4
21	R	32.9	Very low	31.8	Very low	225 Å²	225	160.9 Å²	160.9	85%	0.849	81%	0.813	S	S	*	*			trans	-17.2	136.9	155.1	-97.4	174	174.9	172.5	0.4	113.9	D19	D19-R21 PolarHBondContact O-N 3.44Å
22	M	32.9	Very low	31.9	Very low	171 Å²	171	162.8 Å²	162.8	84%	0.842	82%	0.819	S	S	*	*				-164.7	107.1	111.2	-92.9	-86.3	-87.1	0	0	112.3
23	K	34	Very low	32.1	Very low	187 Å²	187	162.4 Å²	162.4	81%	0.813	81%	0.813	S	S	*	*			trans	51.2	112.5	142.8	-86.9	177.3	168.8	179.1	0	121
24	H	30.9	Very low	32.1	Very low	187 Å²	187	161.5 Å²	161.5	87%	0.866	80%	0.801	S	S	*	*			trans	-70.7	131.2	144.1	-98.2	-37.5	0	0	0	111.2
25	S	35	Very low	32.1	Very low	113 Å²	113	159 Å²	159	79%	0.79	80%	0.798	S	S	*	*			trans	-147.3	116.8	145.6	55.1	0	0	0	0	108.1
26	T	32.4	Very low	32.3	Very low	128 Å²	128	156.7 Å²	156.7	79%	0.785	80%	0.799	S	S	*	*			trans	-85.4	122.5	175.4	-40.2	0	0	0	0	108.4
27	E	35.8	Very low	32.4	Very low	194 Å²	194	152.6 Å²	152.6	91%	0.907	80%	0.795	S	S	*	*			trans	-154.2	142.7	153.1	-116.5	171.6	-161.4	0	0	110.6
28	R	28	Very low	32.6	Very low	231 Å²	231	157.2 Å²	157.2	87%	0.872	80%	0.803	S	S	*	*			trans	-79.3	150.7	-169.1	-59.5	170.5	-173.3	178.5	0.9	111.1
29	L	33.8	Very low	32.9	Very low	177 Å²	177	155.1 Å²	155.1	93%	0.927	80%	0.796	S	S	*	*				172.3	158.8	117.5	-88.5	164.4	0	0	0	110.9
30	A	32.3	Very low	33.1	Very low	78 Å²	78	158.9 Å²	158.9	65%	0.645	80%	0.8	S	S	*	*			trans	-89.6	173.8	-154	0	0	0	0	0	116.6
31	D	31.9	Very low	33.5	Very low	151 Å²	151	160.7 Å²	160.7	81%	0.807	81%	0.805	S	S	*	*			trans	72.3	138.9	163.2	-53.9	-21.3	0	0	0	116.3
32	N	33.6	Very low	34.2	Very low	145 Å²	145	156.8 Å²	156.8	78%	0.775	80%	0.8	S	S	*	*			cis	-162	166.2	30.7	-147.5	-12.6	0	0	0	112
33	E	31.4	Very low	34.9	Very low	136 Å²	136	155.3 Å²	155.3	64%	0.636	80%	0.795	S	S	*	*			trans	-47.1	156.1	-178.8	-78.4	-172.4	128	0	0	121
34	K	30.4	Very low	35.7	Very low	155 Å²	155	154.2 Å²	154.2	67%	0.674	79%	0.79	S	S	*	*			trans	94	126.5	132.2	-86.3	164.4	-172	150.6	0	122.8
35	T	31.8	Very low	37.1	Very low	122 Å²	122	150.9 Å²	150.9	75%	0.748	79%	0.785	S	S	*	*			trans	96.5	110.7	134.3	50.4	0	0	0	0	122.5
36	S	30.7	Very low	38.3	Very low	119 Å²	119	148.9 Å²	148.9	83%	0.832	78%	0.775	S	S	*	*				59.1	132.5	126.8	69.6	0	0	0	0	121.7
37	G	32.7	Very low	39.8	Very low	77 Å²	77	146.1 Å²	146.1	79%	0.794	76%	0.76	S	S	*	*			trans	170.4	76.3	161.6	0	0	0	0	0	115.4	H39	G37-H39 PolarHBondContact O-N 3.3Å
38	W	32.5	Very low	41.7	Very low	230 Å²	230	141.8 Å²	141.8	87%	0.871	74%	0.743	S	S	*	*			trans	-50.9	124.3	161.4	-165.7	64	0	0	0	110.1
39	H	37.7	Very low	44.3	Very low	163 Å²	163	134.1 Å²	134.1	76%	0.755	72%	0.722	S	S	*	*			trans	-168.4	132.2	143.7	-94.5	-54.1	0	0	0	113.7	G37	G37-H39 PolarHBondContact O-N 3.3Å
40	R	37.3	Very low	46.8	Very low	217 Å²	217	130.6 Å²	130.6	82%	0.819	70%	0.703	S	S	*	*			trans	-43.7	124.2	171.5	-72.6	163.4	148.9	-176.8	-7.7	113.8	I42	R40-I42 PolarHBondContact O-N 3.35Å
41	N	44.8	Very low	49.4	Very low	169 Å²	169	130.3 Å²	130.3	90%	0.904	69%	0.694	S	S	*	*			trans	-83.5	103.2	158.6	-86.4	-29	0	0	0	110
42	I	49.2	Very low	52.2	Low	143 Å²	143	127.4 Å²	127.4	73%	0.733	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-65.3	130.6	170.3	-72.7	161.2	0	0	0	108.8	R40 K44	R40-I42 PolarHBondContact O-N 3.35Å; I42-K44 PolarHBondContact O-N 3.27Å
43	L	47.2	Very low	55	Low	140 Å²	140	125.2 Å²	125.2	73%	0.733	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-51.2	124.6	166.2	-93	90.6	0	0	0	109.4
44	K	50.2	Low	57.9	Low	164 Å²	164	123.6 Å²	123.6	71%	0.713	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.4	131.6	174.1	-71.3	-174.9	178.4	179.4	0	109.9	I42 A46 C47	I42-K44 PolarHBondContact O-N 3.27Å; K44-A46 PolarHBondContact O-N 2.79Å; K44-C47 PolarHBondContact O-N 3.15Å; K44-C47 VanDerWaalsContact O-N 3.15Å
45	P	59.8	Low	60.9	Low	117 Å²	117	120.8 Å²	120.8	76%	0.76	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-6.4	-175	22.3	-30.6	0	0	0	115
46	A	59.9	Low	63.8	Low	70 Å²	70	121.5 Å²	121.5	58%	0.579	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-13.4	175.5	0	0	0	0	0	114.4	K44	K44-A46 PolarHBondContact O-N 2.79Å
47	C	64.5	Low	66.8	Low	70 Å²	70	120.3 Å²	120.3	47%	0.473	63%	0.627	S	S	.	*	H	α-helix	trans	-80.9	-35.2	179.7	-67.7	0	0	0	0	112.1	K44 I50 T51	K44-C47 PolarHBondContact O-N 3.15Å; K44-C47 VanDerWaalsContact O-N 3.15Å; C47-I50 PolarHBondContact O-N 2.65Å; C47-T51 PolarHBondContact O-N 2.99Å; C47-T51 PolarHBondContact O-OG1 2.91Å
48	L	75.9	Confident	69.4	Low	104 Å²	104	119 Å²	119	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-58.7	-43.7	-173.5	-149.9	121.2	0	0	0	114.4	I52	L48-I52 HydrophobicContact CD2-CD1 3.86Å; L48-I52 WeakPolarHBondContact O-CD1 3.48Å; L48-I52 VanDerWaalsContact O-CG1 3.27Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 3Å; L48-I52 VanDerWaalsContact O-N 3.13Å
49	P	83.5	Confident	72	Confident	69 Å²	69	114 Å²	114	45%	0.448	60%	0.596	S	S	.	*	H	α-helix	trans	-66.8	-38.7	178	-16.4	30.2	0	0	0	112.3	I52 I53	P49-I52 PolarHBondContact O-N 3.45Å; P49-I53 VanDerWaalsContact O-CG1 3.3Å; P49-I53 WeakPolarHBondContact O-CG1 3.42Å; P49-I53 PolarHBondContact O-N 3.4Å
50	I	84.9	Confident	74.2	Confident	103 Å²	103	110.1 Å²	110.1	53%	0.528	58%	0.584	S	S	.	*	H	α-helix	trans	-67.3	-43.2	-179.5	-62.6	172.4	0	0	0	110	C47 I52 I53 I54	C47-I50 PolarHBondContact O-N 2.65Å; I50-I52 VanDerWaalsContact C-N 3.33Å; I50-I52 PolarHBondContact O-N 3.28Å; I50-I53 PolarHBondContact O-N 3.01Å; I50-I54 HydrophobicContact CG2-CD1 3.87Å; I50-I54 HydrophobicContact CG2-CG1 4.46Å; I50-I54 WeakPolarHBondContact O-CG1 3.26Å; I50-I54 PolarHBondContact O-N 2.77Å
51	T	86.4	Confident	76.4	Confident	73 Å²	73	104 Å²	104	45%	0.448	57%	0.567	S	S	.	*	H	α-helix	trans	-63.2	-40.2	176.4	-25.9	0	0	0	0	111.6	C47 I54 I55	C47-T51 PolarHBondContact O-N 2.99Å; C47-T51 PolarHBondContact O-OG1 2.91Å; T51-I54 PolarHBondContact O-N 3.21Å; T51-I55 HydrophobicContact CG2-CD1 4.39Å; T51-I55 WeakPolarHBondContact O-CB 3.28Å; T51-I55 VanDerWaalsContact O-CG1 3.26Å; T51-I55 WeakPolarHBondContact O-CG1 3.36Å; T51-I55 PolarHBondContact O-N 2.84Å
52	I	91.4	Very high	78	Confident	90 Å²	90	101.3 Å²	101.3	46%	0.462	55%	0.55	S	S	.	*	H	α-helix	trans	-62.6	-45.2	176.3	-69	167.2	0	0	0	110.6	L48 P49 I50 I55 F56	L48-I52 HydrophobicContact CD2-CD1 3.86Å; L48-I52 WeakPolarHBondContact O-CD1 3.48Å; L48-I52 VanDerWaalsContact O-CG1 3.27Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 3Å; L48-I52 VanDerWaalsContact O-N 3.13Å; P49-I52 PolarHBondContact O-N 3.45Å; I50-I52 VanDerWaalsContact C-N 3.33Å; I50-I52 PolarHBondContact O-N 3.28Å; I52-I55 PolarHBondContact O-N 3.39Å; I52-F56 WeakPolarHBondContact O-CB 3.27Å; I52-F56 PolarHBondContact O-N 3.21Å
53	I	92.2	Very high	79.2	Confident	98 Å²	98	102.3 Å²	102.3	50%	0.503	55%	0.55	S	S	.	.	H	α-helix	trans	-62.9	-43.5	177.7	-68.9	166.2	0	0	0	111	P49 I50 I55 F56 I57	P49-I53 VanDerWaalsContact O-CG1 3.3Å; P49-I53 WeakPolarHBondContact O-CG1 3.42Å; P49-I53 PolarHBondContact O-N 3.4Å; I50-I53 PolarHBondContact O-N 3.01Å; I53-I55 PolarHBondContact O-N 3.28Å; I53-F56 PolarHBondContact O-N 2.86Å; I53-I57 HydrophobicContact CG2-CD1 3.69Å; I53-I57 HydrophobicContact CG2-CG1 4.29Å; I53-I57 WeakPolarHBondContact O-CB 3.46Å; I53-I57 VanDerWaalsContact O-CG1 3.3Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 2.85Å
54	I	93.1	Very high	80.2	Confident	103 Å²	103	99.7 Å²	99.7	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-43.2	177.4	-69	169.7	0	0	0	110.8	I50 T51 F56 I57 A58	I50-I54 HydrophobicContact CG2-CD1 3.87Å; I50-I54 HydrophobicContact CG2-CG1 4.46Å; I50-I54 WeakPolarHBondContact O-CG1 3.26Å; I50-I54 PolarHBondContact O-N 2.77Å; T51-I54 PolarHBondContact O-N 3.21Å; I54-F56 VanDerWaalsContact C-N 3.32Å; I54-F56 PolarHBondContact O-N 3.11Å; I54-I57 PolarHBondContact O-N 3.02Å; I54-A58 VanDerWaalsContact O-CB 3.23Å; I54-A58 WeakPolarHBondContact O-CB 3.22Å; I54-A58 PolarHBondContact O-N 2.93Å
55	I	93.6	Very high	81	Confident	95 Å²	95	98.1 Å²	98.1	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.4	-69.4	166.3	0	0	0	110.3	T51 I52 I53 A58 M59	T51-I55 HydrophobicContact CG2-CD1 4.39Å; T51-I55 WeakPolarHBondContact O-CB 3.28Å; T51-I55 VanDerWaalsContact O-CG1 3.26Å; T51-I55 WeakPolarHBondContact O-CG1 3.36Å; T51-I55 PolarHBondContact O-N 2.84Å; I52-I55 PolarHBondContact O-N 3.39Å; I53-I55 PolarHBondContact O-N 3.28Å; I55-A58 PolarHBondContact O-N 3.18Å; I55-M59 HydrophobicContact CG2-CG 4.45Å; I55-M59 HydrophobicContact CG2-SD 4.32Å; I55-M59 WeakPolarHBondContact O-CB 3.38Å; I55-M59 WeakPolarHBondContact O-CG 3.5Å; I55-M59 PolarHBondContact O-N 3.42Å
56	F	93.4	Very high	81.1	Confident	137 Å²	137	96.3 Å²	96.3	60%	0.601	53%	0.525	S	S	*	.	H	α-helix	trans	-64.3	-44.9	177.7	-125	-85.3	0	0	0	112	I52 I53 I54 M59 V60	I52-F56 WeakPolarHBondContact O-CB 3.27Å; I52-F56 PolarHBondContact O-N 3.21Å; I53-F56 PolarHBondContact O-N 2.86Å; I54-F56 VanDerWaalsContact C-N 3.32Å; I54-F56 PolarHBondContact O-N 3.11Å; F56-M59 PolarHBondContact O-N 3.3Å; F56-V60 HydrophobicContact CD1-CG2 4.41Å; F56-V60 WeakPolarHBondContact O-CB 3.47Å; F56-V60 VanDerWaalsContact O-CG2 3.29Å; F56-V60 WeakPolarHBondContact O-CG2 3.32Å; F56-V60 PolarHBondContact O-N 3.19Å
57	I	92.1	Very high	81.1	Confident	94 Å²	94	97 Å²	97	48%	0.482	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-44.7	175.4	-68.6	169.3	0	0	0	110	I53 I54 M59 V60 I61	I53-I57 HydrophobicContact CG2-CD1 3.69Å; I53-I57 HydrophobicContact CG2-CG1 4.29Å; I53-I57 WeakPolarHBondContact O-CB 3.46Å; I53-I57 VanDerWaalsContact O-CG1 3.3Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 2.85Å; I54-I57 PolarHBondContact O-N 3.02Å; I57-M59 VanDerWaalsContact C-N 3.32Å; I57-M59 PolarHBondContact O-N 2.92Å; I57-V60 PolarHBondContact O-N 3.23Å; I57-I61 HydrophobicContact CG2-CD1 3.57Å; I57-I61 HydrophobicContact CG2-CG1 4.22Å; I57-I61 WeakPolarHBondContact O-CB 3.48Å; I57-I61 WeakPolarHBondContact O-CG1 3.27Å; I57-I61 PolarHBondContact O-N 3.3Å
58	A	88.5	Confident	81	Confident	51 Å²	51	101.4 Å²	101.4	42%	0.421	53%	0.533	S	S	.	.	H	α-helix	trans	-62.4	-39.5	176.7	0	0	0	0	0	111.7	I54 I55 M62	I54-A58 VanDerWaalsContact O-CB 3.23Å; I54-A58 WeakPolarHBondContact O-CB 3.22Å; I54-A58 PolarHBondContact O-N 2.93Å; I55-A58 PolarHBondContact O-N 3.18Å; A58-M62 WeakPolarHBondContact O-CB 3.5Å; A58-M62 PolarHBondContact O-N 3.12Å
59	M	86.8	Confident	80.4	Confident	123 Å²	123	100.1 Å²	100.1	61%	0.606	53%	0.527	S	S	*	.	H	α-helix	trans	-65.9	-45.4	174	-83.4	-175.2	65.4	0	0	111.8	I55 F56 I57 M62 F63	I55-M59 HydrophobicContact CG2-CG 4.45Å; I55-M59 HydrophobicContact CG2-SD 4.32Å; I55-M59 WeakPolarHBondContact O-CB 3.38Å; I55-M59 WeakPolarHBondContact O-CG 3.5Å; I55-M59 PolarHBondContact O-N 3.42Å; F56-M59 PolarHBondContact O-N 3.3Å; I57-M59 VanDerWaalsContact C-N 3.32Å; I57-M59 PolarHBondContact O-N 2.92Å; M59-M62 PolarHBondContact O-N 3.4Å; M59-F63 VanDerWaalsContact O-CB 3.24Å; M59-F63 WeakPolarHBondContact O-CB 3.33Å; M59-F63 PolarHBondContact O-N 3.22Å
60	V	84.4	Confident	79.5	Confident	82 Å²	82	103.5 Å²	103.5	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-44.3	177.3	171.2	0	0	0	0	110.4	F56 I57 F63 S64	F56-V60 HydrophobicContact CD1-CG2 4.41Å; F56-V60 WeakPolarHBondContact O-CB 3.47Å; F56-V60 VanDerWaalsContact O-CG2 3.29Å; F56-V60 WeakPolarHBondContact O-CG2 3.32Å; F56-V60 PolarHBondContact O-N 3.19Å; I57-V60 PolarHBondContact O-N 3.23Å; V60-F63 PolarHBondContact O-N 3.44Å; V60-S64 VanDerWaalsContact O-CB 3.3Å; V60-S64 WeakPolarHBondContact O-CB 3.3Å; V60-S64 PolarHBondContact O-N 2.94Å; V60-S64 PolarHBondContact O-OG 3.13Å
61	I	82.4	Confident	78.7	Confident	90 Å²	90	102.9 Å²	102.9	46%	0.462	53%	0.532	S	S	.	.	H	α-helix	trans	-62.5	-47	175	-68.7	171.3	0	0	0	110.1	I57 F63 S64 L65	I57-I61 HydrophobicContact CG2-CD1 3.57Å; I57-I61 HydrophobicContact CG2-CG1 4.22Å; I57-I61 WeakPolarHBondContact O-CB 3.48Å; I57-I61 WeakPolarHBondContact O-CG1 3.27Å; I57-I61 PolarHBondContact O-N 3.3Å; I61-F63 VanDerWaalsContact C-N 3.32Å; I61-F63 PolarHBondContact O-N 2.98Å; I61-S64 CarbonylContact O-C 3.57Å; I61-S64 PolarHBondContact O-N 3.45Å; I61-L65 HydrophobicContact CG2-CD1 3.61Å; I61-L65 HydrophobicContact CG2-CG 4.16Å; I61-L65 VanDerWaalsContact O-CB 3.26Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.37Å
62	M	78.4	Confident	77.9	Confident	111 Å²	111	105.6 Å²	105.6	55%	0.547	54%	0.54	S	S	.	.	H	α-helix	trans	-59.8	-41.1	175.3	-96.6	-75.4	-66.7	0	0	112.1	A58 M59 L65 L66	A58-M62 WeakPolarHBondContact O-CB 3.5Å; A58-M62 PolarHBondContact O-N 3.12Å; M59-M62 PolarHBondContact O-N 3.4Å; M62-L65 PolarHBondContact O-N 3.39Å; M62-L66 HydrophobicContact CE-CD1 4.05Å; M62-L66 HydrophobicContact CE-CG 4.46Å; M62-L66 VanDerWaalsContact O-CB 3.28Å; M62-L66 WeakPolarHBondContact O-CB 3.23Å; M62-L66 VanDerWaalsContact O-CG 3.23Å; M62-L66 WeakPolarHBondContact O-CG 3.3Å; M62-L66 PolarHBondContact O-N 2.93Å
63	F	74.1	Confident	77.2	Confident	164 Å²	164	102.3 Å²	102.3	72%	0.719	53%	0.528	S	S	*	.	H	α-helix	trans	-73.2	-33.2	179.9	-151.1	-87.2	0	0	0	111.7	M59 V60 I61 L66	M59-F63 VanDerWaalsContact O-CB 3.24Å; M59-F63 WeakPolarHBondContact O-CB 3.33Å; M59-F63 PolarHBondContact O-N 3.22Å; V60-F63 PolarHBondContact O-N 3.44Å; I61-F63 VanDerWaalsContact C-N 3.32Å; I61-F63 PolarHBondContact O-N 2.98Å; F63-L66 VanDerWaalsContact O-O 3.1Å
64	S	69.8	Low	76.4	Confident	85 Å²	85	102.5 Å²	102.5	59%	0.594	53%	0.526	S	S	*	.	H	α-helix	trans	-74.1	-25.7	171.1	-63.5	0	0	0	0	112.9	V60 I61	V60-S64 VanDerWaalsContact O-CB 3.3Å; V60-S64 WeakPolarHBondContact O-CB 3.3Å; V60-S64 PolarHBondContact O-N 2.94Å; V60-S64 PolarHBondContact O-OG 3.13Å; I61-S64 CarbonylContact O-C 3.57Å; I61-S64 PolarHBondContact O-N 3.45Å
65	L	66.8	Low	75.8	Confident	132 Å²	132	100 Å²	100	69%	0.691	52%	0.52	S	S	*	.	H	α-helix	trans	-85.4	-29	174.3	-73.2	173.4	0	0	0	112.4	I61 M62 N67	I61-L65 HydrophobicContact CG2-CD1 3.61Å; I61-L65 HydrophobicContact CG2-CG 4.16Å; I61-L65 VanDerWaalsContact O-CB 3.26Å; I61-L65 WeakPolarHBondContact O-CB 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.37Å; M62-L65 PolarHBondContact O-N 3.39Å; L65-N67 PolarHBondContact O-N 2.92Å
66	L	60.5	Low	75.3	Confident	78 Å²	78	98.2 Å²	98.2	41%	0.408	51%	0.514	S	S	.	.	S	Bend	trans	-71.3	74.2	163.5	-74.1	167.5	0	0	0	107.6	M62 F63 E68	M62-L66 HydrophobicContact CE-CD1 4.05Å; M62-L66 HydrophobicContact CE-CG 4.46Å; M62-L66 VanDerWaalsContact O-CB 3.28Å; M62-L66 WeakPolarHBondContact O-CB 3.23Å; M62-L66 VanDerWaalsContact O-CG 3.23Å; M62-L66 WeakPolarHBondContact O-CG 3.3Å; M62-L66 PolarHBondContact O-N 2.93Å; F63-L66 VanDerWaalsContact O-O 3.1Å; L66-E68 PolarHBondContact O-N 3.4Å
67	N	61.3	Low	74.8	Confident	86 Å²	86	94.4 Å²	94.4	46%	0.46	50%	0.495	S	S	.	.			trans	-47.8	134.8	170.2	-103.2	16.3	0	0	0	108.9	L65 D69 Y70	L65-N67 PolarHBondContact O-N 2.92Å; N67-D69 HydrophobicContact CB-CB 4.13Å; N67-D69 PolarHBondContact ND2-OD2 3.09Å; N67-D69 PolarHBondContact O-N 2.83Å; N67-D69 VanDerWaalsContact O-N 3.1Å; N67-Y70 WeakPolarHBondContact O-CB 3.49Å; N67-Y70 PolarHBondContact O-N 3.5Å
68	E	61.2	Low	74.5	Confident	161 Å²	161	95.1 Å²	95.1	75%	0.752	50%	0.495	S	S	*	.	H	α-helix	trans	-48	-37.3	169	-75.1	179.9	153.2	0	0	110.6	L66 Y70 V71 E72	L66-E68 PolarHBondContact O-N 3.4Å; E68-Y70 PolarHBondContact O-N 3.49Å; E68-Y70 VanDerWaalsContact O-N 3.12Å; E68-V71 PolarHBondContact O-N 3.15Å; E68-V71 VanDerWaalsContact O-N 3.1Å; E68-E72 PolarHBondContact O-N 2.81Å
69	D	63.7	Low	74.6	Confident	78 Å²	78	99.2 Å²	99.2	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-51.8	-35.2	173.4	-55.2	-43.8	0	0	0	114	N67 G73 P278	N67-D69 HydrophobicContact CB-CB 4.13Å; N67-D69 PolarHBondContact ND2-OD2 3.09Å; N67-D69 PolarHBondContact O-N 2.83Å; N67-D69 VanDerWaalsContact O-N 3.1Å; D69-G73 WeakPolarHBondContact O-CA 3.28Å; D69-G73 PolarHBondContact O-N 3.22Å; D69-P278 HydrophobicContact CB-CG 4.43Å
70	Y	64.2	Low	74.7	Confident	139 Å²	139	95.3 Å²	95.3	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-76.4	-39	-177.8	-151.2	-78.1	0	0	0	111.2	N67 E68 F74 R313	N67-Y70 WeakPolarHBondContact O-CB 3.49Å; N67-Y70 PolarHBondContact O-N 3.5Å; E68-Y70 PolarHBondContact O-N 3.49Å; E68-Y70 VanDerWaalsContact O-N 3.12Å; Y70-F74 PolarHBondContact O-N 2.99Å; Y70-R313 VanDerWaalsContact CE2-NH2 3.32Å
71	V	68.6	Low	74.9	Confident	91 Å²	91	93.3 Å²	93.3	55%	0.552	47%	0.471	S	S	*	.	H	α-helix	trans	-72.3	-46.7	178	-178.6	0	0	0	0	110.3	E68 G73 F74 A75	E68-V71 PolarHBondContact O-N 3.15Å; E68-V71 VanDerWaalsContact O-N 3.1Å; V71-G73 VanDerWaalsContact C-N 3.31Å; V71-G73 PolarHBondContact O-N 2.86Å; V71-F74 PolarHBondContact O-N 3.48Å; V71-F74 VanDerWaalsContact O-N 3.14Å; V71-A75 PolarHBondContact O-N 3.34Å
72	E	70.4	Confident	75.4	Confident	130 Å²	130	93.9 Å²	93.9	61%	0.607	47%	0.472	S	S	*	.	H	α-helix	trans	-60.6	-41.9	174	-72.6	-169.8	164	0	0	111.5	E68 F74 A75 T76	E68-E72 PolarHBondContact O-N 2.81Å; E72-F74 VanDerWaalsContact C-N 3.29Å; E72-F74 PolarHBondContact O-N 2.83Å; E72-A75 PolarHBondContact O-N 3.3Å; E72-T76 WeakPolarHBondContact O-CB 3.41Å; E72-T76 WeakPolarHBondContact O-CG2 3.47Å; E72-T76 PolarHBondContact O-N 2.94Å; E72-T76 PolarHBondContact O-OG1 3.39Å
73	G	75.4	Confident	76.2	Confident	20 Å²	20	91.2 Å²	91.2	21%	0.206	46%	0.459	C	S	.	.	H	α-helix	trans	-58.6	-38.2	173.7	0	0	0	0	0	113	D69 V71 T76 W77 F283	D69-G73 WeakPolarHBondContact O-CA 3.28Å; D69-G73 PolarHBondContact O-N 3.22Å; V71-G73 VanDerWaalsContact C-N 3.31Å; V71-G73 PolarHBondContact O-N 2.86Å; G73-T76 WeakPolarHBondContact CA-OG1 3.34Å; G73-T76 PolarHBondContact O-OG1 2.8Å; G73-W77 VanDerWaalsContact O-CB 3.28Å; G73-W77 WeakPolarHBondContact O-CB 3.22Å; G73-W77 PolarHBondContact O-N 3.17Å; G73-F283 WeakPolarHBondContact O-CE1 3.49Å; G73-F283 WeakPolarHBondContact O-CZ 3.37Å
74	F	75.7	Confident	77.3	Confident	103 Å²	103	83.4 Å²	83.4	45%	0.452	43%	0.425	S	S	.	.	H	α-helix	trans	-74.1	-36.5	178.7	-173.1	-101	0	0	0	113.2	Y70 V71 E72 W77 K78	Y70-F74 PolarHBondContact O-N 2.99Å; V71-F74 PolarHBondContact O-N 3.48Å; V71-F74 VanDerWaalsContact O-N 3.14Å; E72-F74 VanDerWaalsContact C-N 3.29Å; E72-F74 PolarHBondContact O-N 2.83Å; F74-W77 AromaticContact CD2-CE3 3.62Å; F74-W77 HydrophobicContact CD2-CE3 3.62Å; F74-W77 AromaticContact CD2-CZ3 3.93Å; F74-W77 HydrophobicContact CD2-CZ3 3.93Å; F74-W77 AromaticContact CE2-CE3 3.49Å; F74-W77 HydrophobicContact CE2-CE3 3.49Å; F74-W77 VanDerWaalsContact CE2-CE3 3.49Å; F74-W77 HydrophobicContact CE2-CH2 4.42Å; F74-W77 AromaticContact CE2-CZ3 3.27Å; F74-W77 HydrophobicContact CE2-CZ3 3.27Å; F74-W77 HydrophobicContact CG-CE3 4.34Å; F74-W77 HydrophobicContact CZ-CE3 4.12Å; F74-W77 AromaticContact CZ-CZ3 3.7Å; F74-W77 HydrophobicContact CZ-CZ3 3.7Å; F74-K78 HydrophobicContact CE1-CD 4.01Å; F74-K78 HydrophobicContact CZ-CD 4.45Å; F74-K78 PolarHBondContact O-N 3.03Å
75	A	81.3	Confident	78.5	Confident	49 Å²	49	83.4 Å²	83.4	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-50.1	175.4	0	0	0	0	0	111.1	V71 E72 W77 K78 E79	V71-A75 PolarHBondContact O-N 3.34Å; E72-A75 PolarHBondContact O-N 3.3Å; A75-W77 VanDerWaalsContact C-N 3.29Å; A75-W77 PolarHBondContact O-N 3.44Å; A75-K78 PolarHBondContact O-N 3.16Å; A75-K78 VanDerWaalsContact O-N 3.12Å; A75-E79 PolarHBondContact O-N 3.02Å
76	T	82.7	Confident	79.9	Confident	59 Å²	59	84.5 Å²	84.5	36%	0.362	42%	0.419	S	S	.	.	H	α-helix	trans	-58.8	-39.8	176.3	49.8	0	0	0	0	112.1	E72 G73 K78 E79 E80	E72-T76 WeakPolarHBondContact O-CB 3.41Å; E72-T76 WeakPolarHBondContact O-CG2 3.47Å; E72-T76 PolarHBondContact O-N 2.94Å; E72-T76 PolarHBondContact O-OG1 3.39Å; G73-T76 WeakPolarHBondContact CA-OG1 3.34Å; G73-T76 PolarHBondContact O-OG1 2.8Å; T76-K78 PolarHBondContact O-N 3.29Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-E80 WeakPolarHBondContact O-CG 3.42Å; T76-E80 PolarHBondContact O-N 2.91Å
77	W	82.2	Confident	81.5	Confident	57 Å²	57	82 Å²	82	22%	0.216	41%	0.405	C	S	.	.	H	α-helix	trans	-56.2	-49.6	172.9	168.7	49	0	0	0	113.2	G73 F74 A75 E79 E80 Q81 F283 N288	G73-W77 VanDerWaalsContact O-CB 3.28Å; G73-W77 WeakPolarHBondContact O-CB 3.22Å; G73-W77 PolarHBondContact O-N 3.17Å; F74-W77 AromaticContact CD2-CE3 3.62Å; F74-W77 HydrophobicContact CD2-CE3 3.62Å; F74-W77 AromaticContact CD2-CZ3 3.93Å; F74-W77 HydrophobicContact CD2-CZ3 3.93Å; F74-W77 AromaticContact CE2-CE3 3.49Å; F74-W77 HydrophobicContact CE2-CE3 3.49Å; F74-W77 VanDerWaalsContact CE2-CE3 3.49Å; F74-W77 HydrophobicContact CE2-CH2 4.42Å; F74-W77 AromaticContact CE2-CZ3 3.27Å; F74-W77 HydrophobicContact CE2-CZ3 3.27Å; F74-W77 HydrophobicContact CG-CE3 4.34Å; F74-W77 HydrophobicContact CZ-CE3 4.12Å; F74-W77 AromaticContact CZ-CZ3 3.7Å; F74-W77 HydrophobicContact CZ-CZ3 3.7Å; A75-W77 VanDerWaalsContact C-N 3.29Å; A75-W77 PolarHBondContact O-N 3.44Å; W77-E79 VanDerWaalsContact C-N 3.31Å; W77-E79 PolarHBondContact O-N 3.26Å; W77-E80 PolarHBondContact O-N 2.74Å; W77-Q81 VanDerWaalsContact NE1-NE2 3.14Å; W77-Q81 PolarHBondContact O-N 3.37Å; W77-F283 VanDerWaalsContact CA-CD2 3.46Å; W77-F283 HydrophobicContact CB-CB 4.36Å; W77-F283 HydrophobicContact CB-CD1 3.62Å; W77-F283 HydrophobicContact CB-CD2 3.66Å; W77-F283 HydrophobicContact CB-CE1 3.73Å; W77-F283 HydrophobicContact CB-CE2 3.76Å; W77-F283 HydrophobicContact CB-CG 3.59Å; W77-F283 HydrophobicContact CB-CZ 3.8Å; W77-F283 AromaticContact CD1-CD1 3.91Å; W77-F283 AromaticContact CD1-CD2 3.96Å; W77-F283 AromaticContact CD1-CG 3.4Å; W77-F283 VanDerWaalsContact CD1-CG 3.4Å; W77-F283 HydrophobicContact CG-CB 4.01Å; W77-F283 AromaticContact CG-CD1 3.88Å; W77-F283 HydrophobicContact CG-CD1 3.88Å; W77-F283 HydrophobicContact CG-CD2 4.21Å; W77-F283 HydrophobicContact CG-CE1 4.44Å; W77-F283 AromaticContact CG-CG 3.75Å; W77-F283 HydrophobicContact CG-CG 3.75Å; W77-N288 PolarHBondContact NE1-ND2 2.88Å
78	K	86.4	Confident	83.2	Confident	109 Å²	109	81.9 Å²	81.9	47%	0.474	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-41.9	179.7	-80.8	-173.4	173	179.6	0	111.2	F74 A75 T76 Q81 Q82	F74-K78 HydrophobicContact CE1-CD 4.01Å; F74-K78 HydrophobicContact CZ-CD 4.45Å; F74-K78 PolarHBondContact O-N 3.03Å; A75-K78 PolarHBondContact O-N 3.16Å; A75-K78 VanDerWaalsContact O-N 3.12Å; T76-K78 PolarHBondContact O-N 3.29Å; K78-Q81 PolarHBondContact O-N 3.38Å; K78-Q82 WeakPolarHBondContact O-CB 3.41Å; K78-Q82 VanDerWaalsContact O-CG 3.24Å; K78-Q82 WeakPolarHBondContact O-CG 3.48Å; K78-Q82 PolarHBondContact O-N 3.48Å
79	E	89.7	Confident	85	Confident	136 Å²	136	74.2 Å²	74.2	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-63.5	-47.3	178.1	-71.3	176.8	177.1	0	0	112	A75 T76 W77 Q81 Q82 L83	A75-E79 PolarHBondContact O-N 3.02Å; T76-E79 PolarHBondContact O-N 2.99Å; W77-E79 VanDerWaalsContact C-N 3.31Å; W77-E79 PolarHBondContact O-N 3.26Å; E79-Q81 PolarHBondContact O-N 3.48Å; E79-Q82 PolarHBondContact O-N 3.44Å; E79-L83 WeakPolarHBondContact O-CB 3.31Å; E79-L83 PolarHBondContact O-N 3.18Å
80	E	89	Confident	86.6	Confident	42 Å²	42	74.9 Å²	74.9	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-42.7	177.1	-73.3	-175.6	172.5	0	0	111.6	T76 W77 L83 C84 C250 K257 F283 F284	T76-E80 WeakPolarHBondContact O-CG 3.42Å; T76-E80 PolarHBondContact O-N 2.91Å; W77-E80 PolarHBondContact O-N 2.74Å; E80-L83 PolarHBondContact O-N 3.31Å; E80-C84 PolarHBondContact O-N 2.85Å; E80-C250 PolarHBondContact O-SG 3.26Å; E80-K257 WeakPolarHBondContact OE1-CE 3.37Å; E80-K257 IonicContact OE1-NZ 3.82Å; E80-K257 PolarHBondContact OE1-NZ 3.49Å; E80-K257 IonicContact OE2-NZ 3.35Å; E80-K257 PolarHBondContact OE2-NZ 2.97Å; E80-F283 WeakPolarHBondContact OE2-CD2 3.06Å; E80-F284 HydrophobicContact CB-CZ 4.15Å
81	Q	89.3	Confident	88.2	Confident	40 Å²	40	68.3 Å²	68.3	19%	0.187	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-43.9	175.6	-86.1	-161.8	-16.1	0	0	113.1	W77 K78 E79 L83 C84 L85 F284 N288	W77-Q81 VanDerWaalsContact NE1-NE2 3.14Å; W77-Q81 PolarHBondContact O-N 3.37Å; K78-Q81 PolarHBondContact O-N 3.38Å; E79-Q81 PolarHBondContact O-N 3.48Å; Q81-L83 VanDerWaalsContact C-N 3.31Å; Q81-L83 PolarHBondContact O-N 3.37Å; Q81-C84 PolarHBondContact O-N 3.46Å; Q81-L85 WeakPolarHBondContact O-CG 3.5Å; Q81-L85 PolarHBondContact O-N 2.8Å; Q81-F284 HydrophobicContact CG-CE1 4.03Å; Q81-N288 VanDerWaalsContact NE2-CG 3.31Å; Q81-N288 PolarHBondContact NE2-ND2 2.9Å; Q81-N288 VanDerWaalsContact NE2-ND2 3.11Å; Q81-N288 PolarHBondContact NE2-OD1 3.39Å
82	Q	93.3	Very high	89.6	Confident	102 Å²	102	66.1 Å²	66.1	48%	0.477	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-38.4	178.1	-72.3	-58.4	-40.9	0	0	111.6	K78 E79 L85 Q86	K78-Q82 WeakPolarHBondContact O-CB 3.41Å; K78-Q82 VanDerWaalsContact O-CG 3.24Å; K78-Q82 WeakPolarHBondContact O-CG 3.48Å; K78-Q82 PolarHBondContact O-N 3.48Å; E79-Q82 PolarHBondContact O-N 3.44Å; Q82-L85 PolarHBondContact O-N 3.36Å; Q82-Q86 WeakPolarHBondContact O-CG 3.45Å; Q82-Q86 PolarHBondContact O-N 2.86Å
83	L	95.1	Very high	90.9	Very high	54 Å²	54	60 Å²	60	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-48.9	173.9	-179.4	64.1	0	0	0	111	E79 E80 Q81 L85 Q86 Q87 T249 C250	E79-L83 WeakPolarHBondContact O-CB 3.31Å; E79-L83 PolarHBondContact O-N 3.18Å; E80-L83 PolarHBondContact O-N 3.31Å; Q81-L83 VanDerWaalsContact C-N 3.31Å; Q81-L83 PolarHBondContact O-N 3.37Å; L83-L85 PolarHBondContact O-N 2.86Å; L83-Q86 PolarHBondContact O-N 3.45Å; L83-Q87 WeakPolarHBondContact O-CG 3.04Å; L83-T249 HydrophobicContact CD2-CG2 4.22Å; L83-C250 HydrophobicContact CD2-CB 4.06Å; L83-C250 HydrophobicContact CG-CB 4.02Å
84	C	96.6	Very high	92	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-45.8	177.5	-93.6	0	0	0	0	112.6	E80 Q81 Q86 Q87 C250 A290 R291 L292	E80-C84 PolarHBondContact O-N 2.85Å; Q81-C84 PolarHBondContact O-N 3.46Å; C84-Q86 PolarHBondContact O-N 2.87Å; C84-Q86 VanDerWaalsContact O-N 3.09Å; C84-Q87 PolarHBondContact O-N 3.33Å; C84-C250 VanDerWaalsContact CA-SG 3.57Å; C84-C250 HydrophobicContact CB-CB 3.93Å; C84-C250 WeakPolarHBondContact CB-SG 3.28Å; C84-C250 WeakPolarHBondContact SG-CB 3.5Å; C84-C250 CovalentContact SG-SG 2.01Å; C84-C250 PolarHBondContact SG-SG 3.07Å; C84-A290 HydrophobicContact CB-CB 4.44Å; C84-A290 VanDerWaalsContact SG-CB 3.51Å; C84-R291 CarbonylContact C-O 3.59Å; C84-L292 WeakPolarHBondContact O-CB 3.32Å
85	L	95.8	Very high	93.1	Very high	86 Å²	86	54.4 Å²	54.4	45%	0.45	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-24.3	-177	-76.8	168.9	0	0	0	113.7	Q81 Q82 L83 R291	Q81-L85 WeakPolarHBondContact O-CG 3.5Å; Q81-L85 PolarHBondContact O-N 2.8Å; Q82-L85 PolarHBondContact O-N 3.36Å; L83-L85 PolarHBondContact O-N 2.86Å; L85-R291 VanDerWaalsContact CA-O 3.3Å; L85-R291 WeakPolarHBondContact CA-O 3.44Å; L85-R291 HydrophobicContact CD2-CB 3.68Å; L85-R291 PolarHBondContact N-O 2.87Å
86	Q	95	Very high	93.9	Very high	155 Å²	155	52.1 Å²	52.1	72%	0.724	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.7	-179	-64.5	174.3	13.1	0	0	113.2	Q82 L83 C84	Q82-Q86 WeakPolarHBondContact O-CG 3.45Å; Q82-Q86 PolarHBondContact O-N 2.86Å; L83-Q86 PolarHBondContact O-N 3.45Å; C84-Q86 PolarHBondContact O-N 2.87Å; C84-Q86 VanDerWaalsContact O-N 3.09Å
87	Q	95.7	Very high	94.5	Very high	24 Å²	24	51.9 Å²	51.9	11%	0.112	24%	0.242	C	C	.	.			trans	-92.8	137.1	-176	-75.4	-171.8	-31.3	0	0	112.8	L83 C84 Q293	L83-Q87 WeakPolarHBondContact O-CG 3.04Å; C84-Q87 PolarHBondContact O-N 3.33Å; Q87-Q293 PolarHBondContact O-N 2.84Å
88	D	96.4	Very high	95.2	Very high	84 Å²	84	49.2 Å²	49.2	45%	0.449	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	102.8	160.4	-172.4	7.9	0	0	0	108.1	Q293 N295 G296	D88-Q293 WeakPolarHBondContact CA-O 3.21Å; D88-Q293 HydrophobicContact CB-CB 3.91Å; D88-Q293 WeakPolarHBondContact OD1-CB 3.4Å; D88-N295 PolarHBondContact OD1-N 3.32Å; D88-G296 PolarHBondContact OD1-N 3.19Å; D88-G296 WeakPolarHBondContact OD2-CA 3.33Å; D88-G296 PolarHBondContact OD2-N 3.27Å
89	C	97.8	Very high	95.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.4	-173.1	-57.5	0	0	0	0	110.6	A91 L245 C248 L292 Q293 L294 N295	C89-A91 PolarHBondContact O-N 2.81Å; C89-L245 HydrophobicContact CB-CD2 3.95Å; C89-C248 HydrophobicContact CB-CB 3.55Å; C89-C248 WeakPolarHBondContact CB-SG 3.48Å; C89-C248 WeakPolarHBondContact SG-CA 3.27Å; C89-C248 WeakPolarHBondContact SG-CB 3.2Å; C89-C248 CovalentContact SG-SG 2.04Å; C89-C248 PolarHBondContact SG-SG 3.12Å; C89-L292 HydrophobicContact CB-CD1 4.36Å; C89-L292 VanDerWaalsContact SG-CD1 3.5Å; C89-Q293 PolarHBondContact N-O 3.17Å; C89-L294 HydrophobicContact CB-CD2 3.91Å; C89-N295 PolarHBondContact O-N 2.78Å
90	R	97.7	Very high	95.8	Very high	92 Å²	92	43.6 Å²	43.6	35%	0.347	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.5	170.7	-178.9	173.8	58.2	108.8	6.3	108.5	H92 E119 L245 F246 N295	R90-H92 WeakPolarHBondContact CG-NE2 3.39Å; R90-H92 PolarHBondContact NH1-NE2 3.44Å; R90-H92 VanDerWaalsContact NH1-NE2 3.14Å; R90-E119 IonicContact CZ-OE1 2.76Å; R90-E119 VanDerWaalsContact CZ-OE1 3.32Å; R90-E119 IonicContact NH1-OE1 2.9Å; R90-E119 PolarHBondContact NH1-OE1 2.8Å; R90-E119 VanDerWaalsContact NH1-OE1 3.09Å; R90-E119 IonicContact NH1-OE2 3.01Å; R90-E119 IonicContact NH2-OE1 3.13Å; R90-E119 PolarHBondContact NH2-OE1 3.37Å; R90-L245 WeakPolarHBondContact O-CA 3.42Å; R90-F246 HydrophobicContact CB-CB 4.37Å; R90-F246 PolarHBondContact N-O 2.8Å; R90-F246 PolarHBondContact O-N 3.05Å; R90-N295 WeakPolarHBondContact CA-OD1 3.4Å
91	A	98.2	Very high	96.1	Very high	2 Å²	2	42 Å²	42	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.8	-173.3	0	0	0	0	0	111.7	C89 F243 A244 L245 L294 N295 I476	C89-A91 PolarHBondContact O-N 2.81Å; A91-F243 HydrophobicContact CB-CE2 4Å; A91-F243 HydrophobicContact CB-CZ 4.13Å; A91-A244 WeakPolarHBondContact CA-O 3.3Å; A91-L245 HydrophobicContact CB-CD2 3.56Å; A91-L294 HydrophobicContact CB-CB 3.92Å; A91-L294 HydrophobicContact CB-CD1 4.41Å; A91-L294 HydrophobicContact CB-CD2 4.19Å; A91-L294 HydrophobicContact CB-CG 4.4Å; A91-N295 PolarHBondContact N-OD1 3.3Å; A91-N295 PolarHBondContact O-ND2 3.43Å; A91-I476 HydrophobicContact CB-CD1 3.91Å; A91-I476 HydrophobicContact CB-CG1 4.14Å
92	H	98.1	Very high	96.2	Very high	44 Å²	44	44.6 Å²	44.6	20%	0.204	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133	177.6	-64	-80.5	0	0	0	110.7	R90 L111 F243 A244 F246	R90-H92 WeakPolarHBondContact CG-NE2 3.39Å; R90-H92 PolarHBondContact NH1-NE2 3.44Å; R90-H92 VanDerWaalsContact NH1-NE2 3.14Å; H92-L111 HydrophobicContact CB-CD1 4.35Å; H92-F243 WeakPolarHBondContact O-CA 3.49Å; H92-F243 WeakPolarHBondContact O-CD2 3.5Å; H92-A244 PolarHBondContact N-O 3.38Å; H92-A244 PolarHBondContact O-N 3.24Å; H92-F246 AromaticContact CD2-CD2 3.85Å; H92-F246 AromaticContact CD2-CE2 3.74Å
93	L	98	Very high	96.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	138.6	153.9	-164.2	70.8	0	0	0	107.9	H110 M241 I440 L480 V483	L93-H110 WeakPolarHBondContact O-CB 3.38Å; L93-M241 HydrophobicContact CD1-CG 4.46Å; L93-M241 HydrophobicContact CD1-SD 3.51Å; L93-M241 VanDerWaalsContact CD1-SD 3.51Å; L93-M241 HydrophobicContact CD2-CE 4.39Å; L93-M241 HydrophobicContact CD2-SD 3.81Å; L93-M241 HydrophobicContact CG-SD 3.53Å; L93-M241 VanDerWaalsContact CG-SD 3.53Å; L93-I440 HydrophobicContact CD1-CD1 3.62Å; L93-L480 HydrophobicContact CD1-CD1 4.07Å; L93-L480 HydrophobicContact CD2-CB 4.46Å; L93-L480 HydrophobicContact CD2-CD1 4.19Å; L93-V483 HydrophobicContact CD2-CB 4.44Å; L93-V483 HydrophobicContact CD2-CG2 3.67Å
94	V	98.6	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.4	-174.8	-170	0	0	0	0	108.8	L111 V116 Y224 M241 G242 A244	V94-L111 CarbonylContact C-O 3.52Å; V94-L111 WeakPolarHBondContact CA-O 3.44Å; V94-V116 HydrophobicContact CB-CG2 4.4Å; V94-V116 HydrophobicContact CG1-CB 4.08Å; V94-V116 HydrophobicContact CG1-CG2 3.76Å; V94-V116 HydrophobicContact CG2-CB 4.42Å; V94-V116 HydrophobicContact CG2-CG1 4.3Å; V94-V116 HydrophobicContact CG2-CG2 3.78Å; V94-Y224 HydrophobicContact CB-CE2 4.11Å; V94-Y224 HydrophobicContact CG1-CE2 3.99Å; V94-Y224 HydrophobicContact CG2-CD2 4.24Å; V94-Y224 HydrophobicContact CG2-CE2 4.3Å; V94-M241 CarbonylContact O-C 3.57Å; V94-M241 WeakPolarHBondContact O-CA 3.29Å; V94-G242 PolarHBondContact N-O 2.69Å; V94-G242 PolarHBondContact O-N 3.18Å; V94-A244 HydrophobicContact CG2-CB 3.78Å
95	E	97.9	Very high	95.3	Very high	7 Å²	7	48 Å²	48	3%	0.033	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	116.3	-173.5	-179.3	171.9	-140.5	0	0	112	I97 H110 L111 S112 K239 E240 M241 R486	E95-I97 HydrophobicContact CG-CD1 3.57Å; E95-I97 HydrophobicContact CG-CG1 3.99Å; E95-I97 VanDerWaalsContact OE1-CD1 3.26Å; E95-I97 WeakPolarHBondContact OE1-CD1 3.5Å; E95-H110 HydrophobicContact CB-CB 4.13Å; E95-L111 PolarHBondContact N-O 3.31Å; E95-S112 WeakPolarHBondContact O-CA 3.26Å; E95-K239 IonicContact OE1-NZ 3.63Å; E95-K239 PolarHBondContact OE1-NZ 2.79Å; E95-E240 WeakPolarHBondContact CA-O 3.49Å; E95-M241 HydrophobicContact CB-CE 4.26Å; E95-M241 HydrophobicContact CG-CE 4.23Å; E95-R486 IonicContact OE1-CZ 2.63Å; E95-R486 IonicContact OE1-NH1 3.32Å; E95-R486 IonicContact OE1-NH2 2.64Å; E95-R486 PolarHBondContact OE1-NH2 2.79Å; E95-R486 IonicContact OE2-CZ 2.86Å; E95-R486 IonicContact OE2-NH1 2.85Å; E95-R486 PolarHBondContact OE2-NH1 3.3Å; E95-R486 IonicContact OE2-NH2 2.86Å; E95-R486 PolarHBondContact OE2-NH2 3.42Å
96	S	97.8	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.9	163.2	-58.1	0	0	0	0	109.1	T113 A234 V238 K239 E240	S96-T113 VanDerWaalsContact OG-CB 3.23Å; S96-T113 WeakPolarHBondContact OG-CB 3.42Å; S96-T113 PolarHBondContact OG-OG1 3.27Å; S96-A234 WeakPolarHBondContact CB-O 3.49Å; S96-A234 PolarHBondContact OG-O 3.45Å; S96-V238 WeakPolarHBondContact CB-O 3.41Å; S96-K239 VanDerWaalsContact O-CA 3.3Å; S96-K239 WeakPolarHBondContact O-CA 3.38Å; S96-E240 PolarHBondContact N-O 2.86Å; S96-E240 PolarHBondContact O-N 3.14Å
97	I	96.8	Very high	94.1	Very high	54 Å²	54	46.3 Å²	46.3	28%	0.277	27%	0.269	S	S	.	.			trans	-109.9	122.7	173.1	-65.3	-57.6	0	0	0	108.7	E95 M101 Y103	E95-I97 HydrophobicContact CG-CD1 3.57Å; E95-I97 HydrophobicContact CG-CG1 3.99Å; E95-I97 VanDerWaalsContact OE1-CD1 3.26Å; E95-I97 WeakPolarHBondContact OE1-CD1 3.5Å; I97-M101 HydrophobicContact CD1-CE 4.03Å; I97-M101 HydrophobicContact CG2-CB 4.02Å; I97-M101 HydrophobicContact CG2-CE 4.12Å; I97-Y103 HydrophobicContact CD1-CE2 3.88Å
98	P	96.3	Very high	93.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	29%	0.286	C	S	.	.			trans	-59.3	141.6	178.5	-28.5	37.2	0	0	0	112.8	G100 M101 T236 V238 K239 I411 R425	P98-G100 PolarHBondContact O-N 2.84Å; P98-M101 WeakPolarHBondContact O-CB 3.2Å; P98-M101 PolarHBondContact O-N 3.05Å; P98-T236 CarbonylContact C-O 3.57Å; P98-T236 WeakPolarHBondContact CA-O 3.46Å; P98-V238 VanDerWaalsContact CG-C 3.49Å; P98-K239 HydrophobicContact CG-CB 3.92Å; P98-I411 HydrophobicContact CB-CG2 4.14Å; P98-I411 HydrophobicContact CG-CD1 3.82Å; P98-I411 HydrophobicContact CG-CG2 4.2Å; P98-R425 VanDerWaalsContact CB-NH1 3.34Å
99	E	94.8	Very high	92.6	Very high	85 Å²	85	56 Å²	56	40%	0.397	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	139.7	175.9	-74.3	177.7	178.9	0	0	112.3	M101 S147 T236 Q237 Q418 R425	E99-M101 PolarHBondContact O-N 3.31Å; E99-S147 VanDerWaalsContact OE1-CB 3.26Å; E99-S147 WeakPolarHBondContact OE1-CB 3.31Å; E99-T236 PolarHBondContact N-O 3.42Å; E99-Q237 VanDerWaalsContact CD-NE2 3.31Å; E99-Q237 PolarHBondContact OE2-NE2 2.96Å; E99-Q418 PolarHBondContact O-NE2 2.9Å; E99-Q418 VanDerWaalsContact O-NE2 3.1Å; E99-R425 PolarHBondContact O-NH1 2.82Å; E99-R425 PolarHBondContact O-NH2 2.86Å; E99-R425 VanDerWaalsContact O-NH2 3.08Å
100	G	93.7	Very high	92.5	Very high	42 Å²	42	57.3 Å²	57.3	43%	0.433	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-13.9	-175.2	0	0	0	0	0	114.8	P98 Y414	P98-G100 PolarHBondContact O-N 2.84Å; G100-Y414 WeakPolarHBondContact O-CE2 3.37Å
101	M	94.6	Very high	92.5	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.044	30%	0.303	C	S	.	.			trans	-76	128	172.1	-150.1	179.5	90.6	0	0	109.3	I97 P98 E99 Y103 K239 F409 I411 Y492	I97-M101 HydrophobicContact CD1-CE 4.03Å; I97-M101 HydrophobicContact CG2-CB 4.02Å; I97-M101 HydrophobicContact CG2-CE 4.12Å; P98-M101 WeakPolarHBondContact O-CB 3.2Å; P98-M101 PolarHBondContact O-N 3.05Å; E99-M101 PolarHBondContact O-N 3.31Å; M101-Y103 HydrophobicContact CE-CD2 4.48Å; M101-Y103 HydrophobicContact CE-CE1 4.5Å; M101-Y103 HydrophobicContact CE-CE2 3.36Å; M101-Y103 WeakPolarHBondContact CE-OH 3.21Å; M101-K239 HydrophobicContact CE-CD 4.18Å; M101-F409 HydrophobicContact CE-CZ 4.28Å; M101-F409 HydrophobicContact SD-CE1 4.17Å; M101-F409 HydrophobicContact SD-CZ 4.27Å; M101-I411 HydrophobicContact SD-CD1 4.26Å; M101-I411 HydrophobicContact SD-CG1 4.43Å; M101-I411 HydrophobicContact SD-CG2 4.16Å; M101-Y492 WeakPolarHBondContact CA-OH 3.35Å; M101-Y492 HydrophobicContact CE-CD2 4.35Å; M101-Y492 HydrophobicContact CE-CE2 4.33Å; M101-Y492 HydrophobicContact CG-CD1 4.34Å; M101-Y492 HydrophobicContact CG-CD2 3.91Å; M101-Y492 HydrophobicContact CG-CE1 3.81Å; M101-Y492 HydrophobicContact CG-CE2 3.32Å; M101-Y492 HydrophobicContact CG-CG 4.39Å; M101-Y492 WeakPolarHBondContact CG-OH 3.34Å; M101-Y492 HydrophobicContact SD-CD2 4.09Å; M101-Y492 HydrophobicContact SD-CE2 4.11Å; M101-Y492 HydrophobicContact SD-CG 4.41Å
102	T	93.1	Very high	92.5	Very high	95 Å²	95	56.2 Å²	56.2	58%	0.583	31%	0.31	S	S	*	.			trans	-130	143.1	-174.8	58.1	0	0	0	0	111.5	Y492	T102-Y492 PolarHBondContact N-OH 3.1Å; T102-Y492 PolarHBondContact O-OH 2.68Å
103	Y	92.7	Very high	92.5	Very high	31 Å²	31	54.1 Å²	54.1	12%	0.122	30%	0.3	C	S	.	.			trans	-118	158.9	169.8	-65.8	-76.3	0	0	0	109	I97 M101 K239 R486 D487	I97-Y103 HydrophobicContact CD1-CE2 3.88Å; M101-Y103 HydrophobicContact CE-CD2 4.48Å; M101-Y103 HydrophobicContact CE-CE1 4.5Å; M101-Y103 HydrophobicContact CE-CE2 3.36Å; M101-Y103 WeakPolarHBondContact CE-OH 3.21Å; Y103-K239 PolarHBondContact OH-NZ 2.63Å; Y103-R486 HydrophobicContact CD1-CG 3.58Å; Y103-R486 HydrophobicContact CE1-CG 3.75Å; Y103-R486 HydrophobicContact CG-CG 4.17Å; Y103-D487 VanDerWaalsContact CZ-OD1 3.31Å; Y103-D487 PolarHBondContact OH-OD1 3.33Å
104	P	90.6	Very high	92.5	Very high	82 Å²	82	55.7 Å²	55.7	53%	0.532	31%	0.306	S	S	.	.			trans	-50.3	142.9	171.1	-25.8	34.6	0	0	0	111.6	T106 E107	P104-T106 PolarHBondContact O-N 2.85Å; P104-E107 HydrophobicContact CB-CG 4.33Å; P104-E107 HydrophobicContact CG-CG 4.46Å; P104-E107 WeakPolarHBondContact O-CB 3.17Å; P104-E107 PolarHBondContact O-N 3.32Å
105	A	82.5	Confident	92.5	Very high	114 Å²	114	60 Å²	60	94%	0.942	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.2	-177.4	0	0	0	0	0	113.9	E107	A105-E107 VanDerWaalsContact C-N 3.29Å
106	T	83	Confident	92.5	Very high	129 Å²	129	59.7 Å²	59.7	79%	0.791	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.6	175.2	51.7	0	0	0	0	113.3	P104	P104-T106 PolarHBondContact O-N 2.85Å
107	E	81.1	Confident	92.6	Very high	76 Å²	76	59.7 Å²	59.7	36%	0.355	33%	0.325	S	S	.	.	S	Bend	trans	-76.7	134.3	-178.8	-67.1	-65.7	164.3	0	0	111.3	P104 A105 R109 R486	P104-E107 HydrophobicContact CB-CG 4.33Å; P104-E107 HydrophobicContact CG-CG 4.46Å; P104-E107 WeakPolarHBondContact O-CB 3.17Å; P104-E107 PolarHBondContact O-N 3.32Å; A105-E107 VanDerWaalsContact C-N 3.29Å; E107-R109 PolarHBondContact O-N 3.41Å; E107-R486 HydrophobicContact CB-CG 4.38Å; E107-R486 HydrophobicContact CG-CG 3.87Å
108	K	79.1	Confident	92.7	Very high	108 Å²	108	58.2 Å²	58.2	47%	0.47	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-65.8	132.9	177.7	-168.4	176	179.2	-177.3	0	109.5	Q473	K108-Q473 PolarHBondContact NZ-O 3.38Å
109	R	82.8	Confident	92.8	Very high	203 Å²	203	60.7 Å²	60.7	77%	0.766	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-98.9	136.4	170.7	-68.7	-171.2	178.6	-168.6	-1	109.8	E107	E107-R109 PolarHBondContact O-N 3.41Å
110	H	95.3	Very high	93	Very high	29 Å²	29	56.6 Å²	56.6	13%	0.134	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-92.7	165.4	172.4	-64.4	-74.3	0	0	0	110.1	L93 E95 Q479 V483	L93-H110 WeakPolarHBondContact O-CB 3.38Å; E95-H110 HydrophobicContact CB-CB 4.13Å; H110-Q479 PolarHBondContact CE1-OE1 3.05Å; H110-V483 WeakPolarHBondContact NE2-CG2 3.42Å
111	L	97.2	Very high	93.2	Very high	49 Å²	49	54.7 Å²	54.7	26%	0.257	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-62.5	140.5	173.3	-66.5	176.8	0	0	0	109.7	H92 V94 E95 V116	H92-L111 HydrophobicContact CB-CD1 4.35Å; V94-L111 CarbonylContact C-O 3.52Å; V94-L111 WeakPolarHBondContact CA-O 3.44Å; E95-L111 PolarHBondContact N-O 3.31Å; L111-V116 HydrophobicContact CB-CG2 3.79Å; L111-V116 HydrophobicContact CD1-CG2 4.06Å
112	S	97.9	Very high	93.4	Very high	22 Å²	22	59.6 Å²	59.6	15%	0.154	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-72.5	157.6	173.8	63.6	0	0	0	0	112	E95 Y114 E115 V116	E95-S112 WeakPolarHBondContact O-CA 3.26Å; S112-Y114 PolarHBondContact O-N 3.42Å; S112-E115 WeakPolarHBondContact CB-OE2 3.02Å; S112-E115 PolarHBondContact N-OE2 2.92Å; S112-E115 PolarHBondContact O-N 3.27Å; S112-E115 WeakPolarHBondContact OG-CB 3.21Å; S112-E115 VanDerWaalsContact OG-CG 3.24Å; S112-E115 WeakPolarHBondContact OG-CG 3.37Å; S112-E115 PolarHBondContact OG-N 3.4Å; S112-E115 VanDerWaalsContact OG-N 3.12Å; S112-E115 PolarHBondContact OG-OE2 3.31Å; S112-V116 PolarHBondContact O-N 2.82Å; S112-V116 VanDerWaalsContact O-N 3.08Å
113	T	98.5	Very high	93.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.9	-38.7	171.5	-56.1	0	0	0	0	111	S96 V116 W117 Y224 A228 L235	S96-T113 VanDerWaalsContact OG-CB 3.23Å; S96-T113 WeakPolarHBondContact OG-CB 3.42Å; S96-T113 PolarHBondContact OG-OG1 3.27Å; T113-V116 PolarHBondContact O-N 3.5Å; T113-W117 HydrophobicContact CG2-CD2 3.71Å; T113-W117 HydrophobicContact CG2-CE3 4.25Å; T113-W117 HydrophobicContact CG2-CG 4.14Å; T113-W117 HydrophobicContact CG2-CH2 4.22Å; T113-W117 HydrophobicContact CG2-CZ2 3.66Å; T113-W117 HydrophobicContact CG2-CZ3 4.48Å; T113-W117 VanDerWaalsContact O-CB 3.32Å; T113-W117 WeakPolarHBondContact O-CB 3.39Å; T113-W117 VanDerWaalsContact O-CG 3.24Å; T113-W117 PolarHBondContact O-N 3.12Å; T113-Y224 HydrophobicContact CG2-CE2 4.48Å; T113-A228 HydrophobicContact CG2-CB 3.73Å; T113-L235 HydrophobicContact CG2-CD2 3.7Å
114	Y	98.4	Very high	93.9	Very high	33 Å²	33	55.6 Å²	55.6	13%	0.129	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-52.6	175.6	167.9	-109.1	0	0	0	112.4	S112 V116 W117 L118 Q150 E153 I154 L235	S112-Y114 PolarHBondContact O-N 3.42Å; Y114-V116 VanDerWaalsContact C-N 3.31Å; Y114-V116 PolarHBondContact O-N 3.42Å; Y114-W117 PolarHBondContact O-N 3.03Å; Y114-L118 HydrophobicContact CE2-CD2 4.49Å; Y114-L118 VanDerWaalsContact O-CB 3.31Å; Y114-L118 WeakPolarHBondContact O-CB 3.3Å; Y114-L118 PolarHBondContact O-N 2.84Å; Y114-Q150 VanDerWaalsContact CB-OE1 3.28Å; Y114-Q150 HydrophobicContact CD1-CG 3.95Å; Y114-Q150 HydrophobicContact CD2-CB 3.52Å; Y114-Q150 HydrophobicContact CD2-CG 3.81Å; Y114-Q150 HydrophobicContact CE1-CG 4.16Å; Y114-Q150 HydrophobicContact CE2-CB 3.88Å; Y114-Q150 HydrophobicContact CE2-CG 4.03Å; Y114-Q150 HydrophobicContact CG-CB 3.89Å; Y114-Q150 HydrophobicContact CG-CG 3.77Å; Y114-E153 HydrophobicContact CE2-CB 4.4Å; Y114-E153 PolarHBondContact OH-OE1 3.35Å; Y114-E153 PolarHBondContact OH-OE2 3.06Å; Y114-I154 HydrophobicContact CD2-CD1 4Å; Y114-I154 HydrophobicContact CD2-CG1 3.87Å; Y114-I154 HydrophobicContact CE2-CD1 4.18Å; Y114-I154 HydrophobicContact CE2-CG1 4.17Å; Y114-L235 HydrophobicContact CD2-CD1 4.48Å
115	E	98.5	Very high	94.2	Very high	92 Å²	92	57.3 Å²	57.3	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-43.6	180	-74.2	162.6	129.8	0	0	111.6	S112 E119	S112-E115 WeakPolarHBondContact CB-OE2 3.02Å; S112-E115 PolarHBondContact N-OE2 2.92Å; S112-E115 PolarHBondContact O-N 3.27Å; S112-E115 WeakPolarHBondContact OG-CB 3.21Å; S112-E115 VanDerWaalsContact OG-CG 3.24Å; S112-E115 WeakPolarHBondContact OG-CG 3.37Å; S112-E115 PolarHBondContact OG-N 3.4Å; S112-E115 VanDerWaalsContact OG-N 3.12Å; S112-E115 PolarHBondContact OG-OE2 3.31Å; E115-E119 WeakPolarHBondContact O-CB 3.45Å; E115-E119 PolarHBondContact O-N 3.06Å
116	V	98.7	Very high	95	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-44.6	-179.7	170.4	0	0	0	0	112.1	V94 L111 S112 T113 Y114 L118 E119 L120 Y224 A244 F246	V94-V116 HydrophobicContact CB-CG2 4.4Å; V94-V116 HydrophobicContact CG1-CB 4.08Å; V94-V116 HydrophobicContact CG1-CG2 3.76Å; V94-V116 HydrophobicContact CG2-CB 4.42Å; V94-V116 HydrophobicContact CG2-CG1 4.3Å; V94-V116 HydrophobicContact CG2-CG2 3.78Å; L111-V116 HydrophobicContact CB-CG2 3.79Å; L111-V116 HydrophobicContact CD1-CG2 4.06Å; S112-V116 PolarHBondContact O-N 2.82Å; S112-V116 VanDerWaalsContact O-N 3.08Å; T113-V116 PolarHBondContact O-N 3.5Å; Y114-V116 VanDerWaalsContact C-N 3.31Å; Y114-V116 PolarHBondContact O-N 3.42Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 2.76Å; V116-E119 PolarHBondContact O-N 3.47Å; V116-L120 HydrophobicContact CG1-CD1 4.07Å; V116-L120 HydrophobicContact CG1-CG 4.47Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 3.12Å; V116-Y224 HydrophobicContact CG1-CD2 4.08Å; V116-A244 HydrophobicContact CG1-CB 3.6Å; V116-F246 HydrophobicContact CG1-CZ 4.4Å
117	W	98.8	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-38.7	178.3	-73.4	5.6	0	0	0	111.5	T113 Y114 L120 L121 L137 I154 W216 Y224 A228 N229 M230 L235	T113-W117 HydrophobicContact CG2-CD2 3.71Å; T113-W117 HydrophobicContact CG2-CE3 4.25Å; T113-W117 HydrophobicContact CG2-CG 4.14Å; T113-W117 HydrophobicContact CG2-CH2 4.22Å; T113-W117 HydrophobicContact CG2-CZ2 3.66Å; T113-W117 HydrophobicContact CG2-CZ3 4.48Å; T113-W117 VanDerWaalsContact O-CB 3.32Å; T113-W117 WeakPolarHBondContact O-CB 3.39Å; T113-W117 VanDerWaalsContact O-CG 3.24Å; T113-W117 PolarHBondContact O-N 3.12Å; Y114-W117 PolarHBondContact O-N 3.03Å; W117-L120 PolarHBondContact O-N 2.69Å; W117-L121 WeakPolarHBondContact O-CB 3.24Å; W117-L121 WeakPolarHBondContact O-CG 3.47Å; W117-L121 PolarHBondContact O-N 2.87Å; W117-L137 HydrophobicContact CZ3-CD2 4.33Å; W117-I154 HydrophobicContact CB-CD1 3.75Å; W117-I154 HydrophobicContact CE3-CG2 4.15Å; W117-W216 AromaticContact CD2-CE2 3.97Å; W117-W216 AromaticContact CD2-CZ2 3.89Å; W117-W216 HydrophobicContact CD2-CZ2 3.89Å; W117-W216 AromaticContact CD2-NE1 3.93Å; W117-W216 AromaticContact CE2-CE2 3.9Å; W117-W216 AromaticContact CE2-NE1 3.36Å; W117-W216 AromaticContact CE3-CZ2 3.92Å; W117-W216 HydrophobicContact CE3-CZ2 3.92Å; W117-W216 HydrophobicContact CG-CZ2 4.34Å; W117-W216 AromaticContact CZ2-NE1 3.55Å; W117-W216 HydrophobicContact CZ3-CZ2 4.24Å; W117-W216 AromaticContact NE1-CD1 3.83Å; W117-W216 AromaticContact NE1-NE1 3.51Å; W117-Y224 HydrophobicContact CZ2-CE1 4.09Å; W117-Y224 AromaticContact NE1-CD1 3.43Å; W117-Y224 AromaticContact NE1-CD2 3.95Å; W117-Y224 AromaticContact NE1-CE1 3.39Å; W117-Y224 AromaticContact NE1-CE2 3.9Å; W117-Y224 AromaticContact NE1-CG 3.72Å; W117-Y224 AromaticContact NE1-CZ 3.64Å; W117-A228 HydrophobicContact CH2-CB 4.3Å; W117-A228 HydrophobicContact CZ2-CB 4.02Å; W117-N229 WeakPolarHBondContact CH2-O 3.43Å; W117-M230 HydrophobicContact CH2-CG 4.39Å; W117-M230 HydrophobicContact CH2-SD 4.18Å; W117-L235 HydrophobicContact CE3-CD2 3.99Å; W117-L235 HydrophobicContact CZ3-CD2 3.98Å
118	L	98.7	Very high	96.6	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.12	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-44	174.8	-173	63.4	0	0	0	111.3	Y114 V116 L121 Q122 I154 T157	Y114-L118 HydrophobicContact CE2-CD2 4.49Å; Y114-L118 VanDerWaalsContact O-CB 3.31Å; Y114-L118 WeakPolarHBondContact O-CB 3.3Å; Y114-L118 PolarHBondContact O-N 2.84Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 2.76Å; L118-L121 PolarHBondContact O-N 2.87Å; L118-Q122 HydrophobicContact CD1-CG 4.35Å; L118-Q122 HydrophobicContact CG-CG 4.43Å; L118-Q122 WeakPolarHBondContact O-CB 3.29Å; L118-Q122 VanDerWaalsContact O-CG 3.23Å; L118-Q122 WeakPolarHBondContact O-CG 3.45Å; L118-Q122 PolarHBondContact O-N 3.02Å; L118-I154 HydrophobicContact CB-CD1 3.99Å; L118-I154 HydrophobicContact CD1-CD1 4.47Å; L118-T157 HydrophobicContact CD1-CG2 4.28Å
119	E	98.6	Very high	97.5	Very high	52 Å²	52	42.9 Å²	42.9	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-43.7	176.7	-171.1	178.3	174.3	0	0	112	R90 E115 V116 Q122 S123 F246	R90-E119 IonicContact CZ-OE1 2.76Å; R90-E119 VanDerWaalsContact CZ-OE1 3.32Å; R90-E119 IonicContact NH1-OE1 2.9Å; R90-E119 PolarHBondContact NH1-OE1 2.8Å; R90-E119 VanDerWaalsContact NH1-OE1 3.09Å; R90-E119 IonicContact NH1-OE2 3.01Å; R90-E119 IonicContact NH2-OE1 3.13Å; R90-E119 PolarHBondContact NH2-OE1 3.37Å; E115-E119 WeakPolarHBondContact O-CB 3.45Å; E115-E119 PolarHBondContact O-N 3.06Å; V116-E119 PolarHBondContact O-N 3.47Å; E119-Q122 PolarHBondContact O-N 3.01Å; E119-S123 VanDerWaalsContact O-CB 3.27Å; E119-S123 WeakPolarHBondContact O-CB 3.12Å; E119-S123 PolarHBondContact O-N 3.21Å; E119-S123 PolarHBondContact O-OG 3.31Å; E119-F246 HydrophobicContact CB-CE1 4.21Å; E119-F246 HydrophobicContact CB-CZ 4.23Å; E119-F246 HydrophobicContact CG-CE1 3.67Å; E119-F246 HydrophobicContact CG-CZ 3.99Å; E119-F246 WeakPolarHBondContact OE2-CZ 3.37Å
120	L	98.8	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-48.4	175.8	-74.7	171.2	0	0	0	111.6	V116 W117 Q122 S123 T124 W216 V218 H222 F246	V116-L120 HydrophobicContact CG1-CD1 4.07Å; V116-L120 HydrophobicContact CG1-CG 4.47Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 3.12Å; W117-L120 PolarHBondContact O-N 2.69Å; L120-Q122 PolarHBondContact O-N 2.83Å; L120-S123 PolarHBondContact O-N 2.74Å; L120-T124 PolarHBondContact O-N 2.92Å; L120-T124 PolarHBondContact O-OG1 2.78Å; L120-W216 HydrophobicContact CD1-CB 3.98Å; L120-W216 HydrophobicContact CD1-CG 4.49Å; L120-V218 HydrophobicContact CB-CG2 4.02Å; L120-V218 HydrophobicContact CD2-CG2 4.13Å; L120-H222 HydrophobicContact CD2-CB 3.43Å; L120-H222 VanDerWaalsContact CD2-CB 3.43Å; L120-F246 HydrophobicContact CD2-CE1 3.92Å; L120-F246 HydrophobicContact CD2-CZ 4.4Å; L120-F246 HydrophobicContact CG-CE1 4.26Å; L120-F246 HydrophobicContact CG-CZ 4.44Å
121	L	98.7	Very high	98.4	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-44.4	177.6	-79.5	166.3	0	0	0	112.2	W117 L118 S123 T124 L128 I154 T157 L158 V161 W216	W117-L121 WeakPolarHBondContact O-CB 3.24Å; W117-L121 WeakPolarHBondContact O-CG 3.47Å; W117-L121 PolarHBondContact O-N 2.87Å; L118-L121 PolarHBondContact O-N 2.87Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.12Å; L121-T124 WeakPolarHBondContact O-CB 3.47Å; L121-T124 PolarHBondContact O-N 3.21Å; L121-T124 PolarHBondContact O-OG1 3.35Å; L121-L128 HydrophobicContact CD2-CD2 3.77Å; L121-I154 HydrophobicContact CD1-CD1 4.09Å; L121-I154 HydrophobicContact CD1-CG2 4.02Å; L121-T157 HydrophobicContact CB-CG2 3.62Å; L121-T157 HydrophobicContact CD1-CG2 3.95Å; L121-T157 HydrophobicContact CG-CG2 4.26Å; L121-L158 HydrophobicContact CD2-CB 4.29Å; L121-L158 HydrophobicContact CD2-CD1 3.91Å; L121-V161 HydrophobicContact CB-CG2 4.44Å; L121-V161 HydrophobicContact CD2-CB 4.44Å; L121-V161 HydrophobicContact CD2-CG2 3.96Å; L121-V161 WeakPolarHBondContact O-CG2 3.47Å; L121-W216 HydrophobicContact CD1-CH2 4.38Å; L121-W216 HydrophobicContact CD1-CZ3 4.17Å; L121-W216 HydrophobicContact CD2-CZ3 3.87Å; L121-W216 HydrophobicContact CG-CZ3 3.87Å
122	Q	97.9	Very high	98.5	Very high	111 Å²	111	29.5 Å²	29.5	52%	0.519	15%	0.152	S	C	.	.	H	α-helix	trans	-68.6	-27.1	178.5	-72	176.5	-2.5	0	0	112.7	L118 E119 L120 T124	L118-Q122 HydrophobicContact CD1-CG 4.35Å; L118-Q122 HydrophobicContact CG-CG 4.43Å; L118-Q122 WeakPolarHBondContact O-CB 3.29Å; L118-Q122 VanDerWaalsContact O-CG 3.23Å; L118-Q122 WeakPolarHBondContact O-CG 3.45Å; L118-Q122 PolarHBondContact O-N 3.02Å; E119-Q122 PolarHBondContact O-N 3.01Å; L120-Q122 PolarHBondContact O-N 2.83Å; Q122-T124 VanDerWaalsContact C-N 3.32Å
123	S	97.8	Very high	98.5	Very high	35 Å²	35	31.1 Å²	31.1	25%	0.245	16%	0.156	C	C	.	.	H	α-helix	trans	-79.2	-12.9	177.4	-58	0	0	0	0	113.3	E119 L120 L121 Q125	E119-S123 VanDerWaalsContact O-CB 3.27Å; E119-S123 WeakPolarHBondContact O-CB 3.12Å; E119-S123 PolarHBondContact O-N 3.21Å; E119-S123 PolarHBondContact O-OG 3.31Å; L120-S123 PolarHBondContact O-N 2.74Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.12Å; S123-Q125 PolarHBondContact O-N 2.98Å; S123-Q125 PolarHBondContact O-NE2 3.01Å
124	T	98.6	Very high	98.4	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.043	16%	0.164	C	C	.	.			trans	-68.3	114.1	-173.2	-54.8	0	0	0	0	112.6	L120 L121 Q122 L128 V161 R165 V218	L120-T124 PolarHBondContact O-N 2.92Å; L120-T124 PolarHBondContact O-OG1 2.78Å; L121-T124 WeakPolarHBondContact O-CB 3.47Å; L121-T124 PolarHBondContact O-N 3.21Å; L121-T124 PolarHBondContact O-OG1 3.35Å; Q122-T124 VanDerWaalsContact C-N 3.32Å; T124-L128 HydrophobicContact CG2-CB 4.21Å; T124-V161 HydrophobicContact CG2-CG1 3.76Å; T124-R165 HydrophobicContact CG2-CB 4.25Å; T124-R165 HydrophobicContact CG2-CG 4.3Å; T124-V218 HydrophobicContact CG2-CG1 4.2Å; T124-V218 VanDerWaalsContact OG1-CG1 3.3Å; T124-V218 WeakPolarHBondContact OG1-CG1 3.37Å
125	Q	98.1	Very high	98.3	Very high	119 Å²	119	31.6 Å²	31.6	56%	0.556	16%	0.158	S	C	*	.	S	Bend	trans	-107	-23.9	178.6	-58.3	-50.7	-43.5	0	0	114	S123 R165 D219	S123-Q125 PolarHBondContact O-N 2.98Å; S123-Q125 PolarHBondContact O-NE2 3.01Å; Q125-R165 VanDerWaalsContact C-CD 3.43Å; Q125-R165 WeakPolarHBondContact O-CD 3.45Å; Q125-R165 PolarHBondContact O-NE 3.31Å; Q125-D219 WeakPolarHBondContact CA-OD2 3.44Å; Q125-D219 WeakPolarHBondContact CB-OD2 3.41Å; Q125-D219 PolarHBondContact N-OD2 2.97Å
126	V	98.3	Very high	98.1	Very high	98 Å²	98	28.1 Å²	28.1	59%	0.594	14%	0.143	S	C	*	.	S	Bend	trans	-130.7	-56.9	-176.5	-178.4	0	0	0	0	111.1	Q166 D219	V126-Q166 PolarHBondContact O-N 3.11Å; V126-D219 WeakPolarHBondContact CA-OD1 3.33Å; V126-D219 WeakPolarHBondContact CB-OD1 3.49Å; V126-D219 PolarHBondContact N-OD1 2.93Å
127	S	98.4	Very high	97.9	Very high	13 Å²	13	28.1 Å²	28.1	9%	0.091	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	140.8	-168.8	57.2	0	0	0	0	113.2	Q166 V218 D219	S127-Q166 CarbonylContact C-O 3.58Å; S127-Q166 VanDerWaalsContact CA-O 3.28Å; S127-Q166 WeakPolarHBondContact CA-O 3.29Å; S127-V218 WeakPolarHBondContact O-CA 3.19Å; S127-D219 PolarHBondContact N-OD1 3.31Å; S127-D219 PolarHBondContact O-N 2.85Å
128	L	98.8	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.7	167.3	166.6	64.6	0	0	0	109.8	L121 T124 A130 L158 Q166 V167 L168 W216 V218	L121-L128 HydrophobicContact CD2-CD2 3.77Å; T124-L128 HydrophobicContact CG2-CB 4.21Å; L128-A130 HydrophobicContact CD1-CB 4.44Å; L128-L158 HydrophobicContact CD2-CD1 3.41Å; L128-L158 VanDerWaalsContact CD2-CD1 3.41Å; L128-Q166 PolarHBondContact N-O 3.18Å; L128-V167 HydrophobicContact CB-CG2 4.42Å; L128-V167 HydrophobicContact CD2-CG1 4.26Å; L128-V167 CarbonylContact O-C 3.56Å; L128-V167 WeakPolarHBondContact O-CA 3.22Å; L128-L168 PolarHBondContact O-N 3.19Å; L128-W216 HydrophobicContact CD1-CB 4.48Å; L128-W216 HydrophobicContact CD1-CD2 4.39Å; L128-W216 HydrophobicContact CD1-CE3 3.51Å; L128-W216 HydrophobicContact CD1-CZ3 4.12Å; L128-W216 HydrophobicContact CD2-CE3 4.02Å; L128-W216 HydrophobicContact CD2-CZ3 3.74Å; L128-W216 HydrophobicContact CG-CE3 4.37Å; L128-V218 HydrophobicContact CD1-CG2 3.75Å
129	H	98.8	Very high	97.1	Very high	12 Å²	12	28.9 Å²	28.9	6%	0.056	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.9	168.4	-58.1	167.1	0	0	0	109	L168 W216 I217 D256 F259	H129-L168 WeakPolarHBondContact CA-O 3.33Å; H129-W216 CarbonylContact O-C 3.45Å; H129-W216 WeakPolarHBondContact O-CA 3.22Å; H129-I217 HydrophobicContact CB-CB 4.28Å; H129-I217 HydrophobicContact CB-CD1 4.39Å; H129-I217 PolarHBondContact N-O 3.27Å; H129-I217 PolarHBondContact O-N 3.07Å; H129-D256 IonicContact CE1-OD1 3.09Å; H129-D256 PolarHBondContact CE1-OD1 3.17Å; H129-D256 IonicContact CG-OD1 3.87Å; H129-D256 IonicContact ND1-OD1 3.87Å; H129-D256 PolarHBondContact ND1-OD1 3.41Å; H129-F259 HydrophobicContact CB-CD1 3.81Å; H129-F259 HydrophobicContact CB-CD2 3.86Å; H129-F259 HydrophobicContact CB-CE1 3.67Å; H129-F259 HydrophobicContact CB-CE2 3.72Å; H129-F259 HydrophobicContact CB-CG 3.92Å; H129-F259 HydrophobicContact CB-CZ 3.63Å; H129-F259 AromaticContact CG-CD1 3.86Å; H129-F259 AromaticContact CG-CE1 3.63Å; H129-F259 AromaticContact ND1-CD1 3.72Å; H129-F259 AromaticContact ND1-CE1 3.85Å
130	A	98.8	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.5	179	0	0	0	0	0	113.1	L128 L168 L169 V170 M215 W216 M230	L128-A130 HydrophobicContact CD1-CB 4.44Å; A130-L168 PolarHBondContact N-O 3.18Å; A130-L169 HydrophobicContact CB-CD2 3.8Å; A130-L169 WeakPolarHBondContact O-CA 3.38Å; A130-V170 PolarHBondContact O-N 3.02Å; A130-M215 VanDerWaalsContact CA-O 3.29Å; A130-M215 WeakPolarHBondContact CA-O 3.46Å; A130-W216 HydrophobicContact CB-CD2 4.08Å; A130-W216 HydrophobicContact CB-CE3 4.33Å; A130-W216 HydrophobicContact CB-CG 4.33Å; A130-M230 HydrophobicContact CB-CE 4.46Å
131	T	98.8	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.5	177.2	72.6	0	0	0	0	112.6	V170 M211 T213 K214 M215 M230 F259 Y262	T131-V170 CarbonylContact C-O 3.58Å; T131-V170 WeakPolarHBondContact CA-O 3.49Å; T131-V170 HydrophobicContact CG2-CB 4.32Å; T131-M211 HydrophobicContact CG2-CE 3.79Å; T131-T213 PolarHBondContact OG1-O 3.49Å; T131-K214 WeakPolarHBondContact O-CA 3.18Å; T131-M215 HydrophobicContact CG2-CG 3.71Å; T131-M215 HydrophobicContact CG2-SD 4.31Å; T131-M215 PolarHBondContact N-O 3.21Å; T131-M215 WeakPolarHBondContact OG1-CG 3.44Å; T131-M215 PolarHBondContact OG1-N 3Å; T131-M215 VanDerWaalsContact OG1-N 3.1Å; T131-M230 WeakPolarHBondContact O-CE 3.38Å; T131-F259 HydrophobicContact CG2-CD2 3.64Å; T131-F259 HydrophobicContact CG2-CE2 4.01Å; T131-Y262 HydrophobicContact CG2-CD2 4.11Å
132	A	98.1	Very high	93.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.6	-178.1	0	0	0	0	0	112.9	W135 V170 Q171 N172 M230	A132-W135 HydrophobicContact CB-CD2 4.19Å; A132-W135 VanDerWaalsContact CB-CE2 3.45Å; A132-W135 HydrophobicContact CB-CH2 4.38Å; A132-W135 HydrophobicContact CB-CZ2 3.56Å; A132-V170 PolarHBondContact N-O 2.88Å; A132-Q171 WeakPolarHBondContact O-CA 3.49Å; A132-N172 PolarHBondContact O-N 3.33Å; A132-M230 HydrophobicContact CB-CB 4.24Å; A132-M230 HydrophobicContact CB-CE 4.21Å; A132-M230 HydrophobicContact CB-CG 3.85Å; A132-M230 HydrophobicContact CB-SD 3.64Å
133	F	97.9	Very high	92	Very high	57 Å²	57	41.9 Å²	41.9	25%	0.25	21%	0.211	C	C	.	.	S	Bend	trans	-81.7	-43.8	167	175.7	-139.9	0	0	0	111.4	N172 V210 M211 H212	F133-N172 HydrophobicContact CD2-CB 3.86Å; F133-N172 HydrophobicContact CE2-CB 4.33Å; F133-N172 VanDerWaalsContact O-CB 3.26Å; F133-N172 WeakPolarHBondContact O-CB 3.32Å; F133-V210 HydrophobicContact CD2-CB 4.21Å; F133-V210 HydrophobicContact CD2-CG2 4.12Å; F133-V210 HydrophobicContact CE2-CB 3.77Å; F133-V210 HydrophobicContact CE2-CG1 3.93Å; F133-V210 HydrophobicContact CE2-CG2 3.73Å; F133-V210 HydrophobicContact CZ-CG2 4.36Å; F133-M211 WeakPolarHBondContact CA-O 3.28Å; F133-M211 WeakPolarHBondContact CB-O 3.17Å; F133-M211 VanDerWaalsContact CD2-O 3.24Å; F133-M211 WeakPolarHBondContact CD2-O 3.29Å; F133-H212 AromaticContact CD1-CD2 3.85Å; F133-H212 AromaticContact CG-CD2 3.93Å
134	Y	96.9	Very high	90.4	Very high	42 Å²	42	46.2 Å²	46.2	17%	0.165	24%	0.237	C	C	.	.			trans	-154.8	169	172.9	62.1	-95.7	0	0	0	109.3	T136 N229 M230 D231	Y134-T136 HydrophobicContact CD2-CG2 4.12Å; Y134-T136 HydrophobicContact CE2-CG2 4.37Å; Y134-N229 HydrophobicContact CE1-CB 3.91Å; Y134-N229 HydrophobicContact CE2-CB 4.24Å; Y134-N229 PolarHBondContact OH-ND2 3.45Å; Y134-M230 WeakPolarHBondContact O-CB 3.37Å; Y134-D231 HydrophobicContact CE2-CB 3.73Å; Y134-D231 VanDerWaalsContact CE2-OD2 3.28Å; Y134-D231 WeakPolarHBondContact CE2-OD2 3.31Å; Y134-D231 PolarHBondContact OH-OD2 2.78Å
135	W	95.7	Very high	89	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.8	179.5	-57.9	83.3	0	0	0	112.3	A132 L137 L158 L169 T178 E181 M230	A132-W135 HydrophobicContact CB-CD2 4.19Å; A132-W135 VanDerWaalsContact CB-CE2 3.45Å; A132-W135 HydrophobicContact CB-CH2 4.38Å; A132-W135 HydrophobicContact CB-CZ2 3.56Å; W135-L137 HydrophobicContact CE3-CD1 4.21Å; W135-L137 HydrophobicContact CZ3-CD1 4.29Å; W135-L158 HydrophobicContact CH2-CD2 4.37Å; W135-L158 HydrophobicContact CZ3-CD2 4Å; W135-L169 HydrophobicContact CH2-CD1 3.88Å; W135-L169 HydrophobicContact CH2-CD2 3.91Å; W135-L169 HydrophobicContact CH2-CG 4.45Å; W135-L169 HydrophobicContact CZ2-CB 4.4Å; W135-L169 HydrophobicContact CZ2-CD1 3.86Å; W135-L169 HydrophobicContact CZ2-CD2 4.16Å; W135-L169 HydrophobicContact CZ2-CG 4.37Å; W135-T178 PolarHBondContact N-O 2.79Å; W135-E181 HydrophobicContact CB-CB 3.78Å; W135-E181 HydrophobicContact CB-CG 4.26Å; W135-M230 CarbonylContact C-O 3.58Å; W135-M230 WeakPolarHBondContact CA-O 3.38Å; W135-M230 HydrophobicContact CD2-CB 3.96Å; W135-M230 HydrophobicContact CD2-CG 4.29Å; W135-M230 HydrophobicContact CE3-CB 3.61Å; W135-M230 HydrophobicContact CE3-CG 3.83Å; W135-M230 HydrophobicContact CH2-CG 3.91Å; W135-M230 HydrophobicContact CZ2-CG 4.37Å; W135-M230 HydrophobicContact CZ3-CB 3.95Å; W135-M230 HydrophobicContact CZ3-CG 3.63Å
136	T	94.5	Very high	88.1	Confident	19 Å²	19	46.4 Å²	46.4	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	52.6	171.9	59.3	0	0	0	0	109.9	Y134 E181 M230 D231 W232 R233	Y134-T136 HydrophobicContact CD2-CG2 4.12Å; Y134-T136 HydrophobicContact CE2-CG2 4.37Å; T136-E181 PolarHBondContact N-OE2 3.45Å; T136-M230 PolarHBondContact N-O 3.19Å; T136-D231 PolarHBondContact OG1-OD1 3.43Å; T136-W232 PolarHBondContact O-N 3.3Å; T136-W232 VanDerWaalsContact O-N 3.13Å; T136-R233 PolarHBondContact OG1-NH2 3.44Å
137	L	95.6	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-27.6	-179.8	-73.3	172.5	0	0	0	113.1	W117 W135 G151 T152 I154 Y155 E181 M230	W117-L137 HydrophobicContact CZ3-CD2 4.33Å; W135-L137 HydrophobicContact CE3-CD1 4.21Å; W135-L137 HydrophobicContact CZ3-CD1 4.29Å; L137-G151 CarbonylContact O-C 3.4Å; L137-G151 VanDerWaalsContact O-CA 3.24Å; L137-G151 WeakPolarHBondContact O-CA 3.48Å; L137-T152 PolarHBondContact O-N 3.4Å; L137-I154 HydrophobicContact CD1-CG2 4Å; L137-I154 HydrophobicContact CD2-CG2 4.44Å; L137-Y155 HydrophobicContact CD1-CD2 4.47Å; L137-E181 WeakPolarHBondContact CB-OE2 3.26Å; L137-E181 PolarHBondContact N-OE1 3.12Å; L137-E181 PolarHBondContact N-OE2 3.14Å; L137-M230 HydrophobicContact CG-CB 4.48Å
138	R	93	Very high	87.3	Confident	35 Å²	35	42.7 Å²	42.7	13%	0.132	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	17.4	-175.1	-55.1	176	-65	-178.2	5.2	115	K140 Y155 E181	R138-K140 HydrophobicContact CB-CG 4.38Å; R138-K140 PolarHBondContact O-N 2.99Å; R138-Y155 VanDerWaalsContact CD-CD1 3.48Å; R138-Y155 HydrophobicContact CG-CD1 3.96Å; R138-Y155 HydrophobicContact CG-CD2 4.24Å; R138-Y155 HydrophobicContact CG-CG 3.75Å; R138-E181 VanDerWaalsContact CB-OE1 3.27Å; R138-E181 WeakPolarHBondContact CB-OE1 3.47Å; R138-E181 WeakPolarHBondContact CG-OE1 3.35Å; R138-E181 IonicContact CZ-OE1 3.64Å; R138-E181 PolarHBondContact N-OE1 2.8Å; R138-E181 IonicContact NE-OE1 2.96Å; R138-E181 PolarHBondContact NE-OE1 3.05Å; R138-E181 IonicContact NH2-OE1 3.35Å
139	A	86.6	Confident	87	Confident	3 Å²	3	45.5 Å²	45.5	3%	0.025	24%	0.241	C	C	.	.			trans	46.6	26.7	178.5	0	0	0	0	0	117.2	D141 M142 D148 W232	A139-D141 WeakPolarHBondContact CA-OD1 3.43Å; A139-D141 PolarHBondContact O-N 2.76Å; A139-M142 PolarHBondContact O-N 3.34Å; A139-D148 HydrophobicContact CB-CB 3.44Å; A139-D148 VanDerWaalsContact CB-CB 3.44Å; A139-D148 WeakPolarHBondContact CB-OD2 3.39Å; A139-W232 VanDerWaalsContact CA-CD1 3.5Å; A139-W232 VanDerWaalsContact CB-CD1 3.44Å; A139-W232 HydrophobicContact CB-CD2 4.34Å; A139-W232 HydrophobicContact CB-CG 4.12Å; A139-W232 VanDerWaalsContact CB-NE1 3.3Å
140	K	80.5	Confident	86.9	Confident	134 Å²	134	47.7 Å²	47.7	58%	0.583	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.5	-179.8	-67.3	-166.4	176.9	-173.3	0	113.6	R138	R138-K140 HydrophobicContact CB-CG 4.38Å; R138-K140 PolarHBondContact O-N 2.99Å
141	D	73	Confident	86.8	Confident	80 Å²	80	47.7 Å²	47.7	43%	0.428	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.1	172.8	61.4	-36.9	0	0	0	113.3	A139 R233	A139-D141 WeakPolarHBondContact CA-OD1 3.43Å; A139-D141 PolarHBondContact O-N 2.76Å; D141-R233 IonicContact OD2-CZ 2.97Å; D141-R233 IonicContact OD2-NH1 3.06Å; D141-R233 PolarHBondContact OD2-NH1 2.96Å; D141-R233 IonicContact OD2-NH2 3.83Å; D141-R233 PolarHBondContact OD2-NH2 3.22Å
142	M	71	Confident	86.7	Confident	59 Å²	59	49.6 Å²	49.6	29%	0.291	26%	0.263	S	S	.	.	S	Bend	trans	-134	164.2	178.9	-60.8	-160.3	81.4	0	0	112.8	A139 T144 W232 I421 P422	A139-M142 PolarHBondContact O-N 3.34Å; M142-T144 PolarHBondContact O-N 3.34Å; M142-W232 HydrophobicContact SD-CZ2 3.94Å; M142-I421 HydrophobicContact SD-CG2 4.32Å; M142-P422 HydrophobicContact CE-CG 4.18Å; M142-P422 WeakPolarHBondContact SD-CD 3.48Å; M142-P422 HydrophobicContact SD-CG 3.99Å
143	L	63.8	Low	86.6	Confident	165 Å²	165	53.7 Å²	53.7	86%	0.864	28%	0.282	S	S	*	.	S	Bend	trans	-64.6	127.2	161.7	-72.4	161.5	0	0	0	107.4	D145	L143-D145 PolarHBondContact O-N 2.76Å
144	T	63.9	Low	86.7	Confident	127 Å²	127	51 Å²	51	78%	0.779	27%	0.27	S	S	*	.			trans	-30.8	113.8	-176	45.3	0	0	0	0	112.8	M142	M142-T144 PolarHBondContact O-N 3.34Å
145	D	69.3	Low	86.7	Confident	13 Å²	13	49 Å²	49	7%	0.07	26%	0.262	C	S	.	.			trans	-112.7	128.1	176.2	-171.7	-80.7	0	0	0	108.7	L143 S147 D148 W232 R417	L143-D145 PolarHBondContact O-N 2.76Å; D145-S147 PolarHBondContact O-N 2.88Å; D145-S147 VanDerWaalsContact OD1-CB 3.32Å; D145-S147 WeakPolarHBondContact OD1-CB 3.31Å; D145-S147 PolarHBondContact OD1-N 3.02Å; D145-S147 PolarHBondContact OD1-OG 2.79Å; D145-D148 WeakPolarHBondContact O-CB 3.33Å; D145-D148 PolarHBondContact O-N 3.28Å; D145-W232 HydrophobicContact CB-CH2 4.43Å; D145-R417 VanDerWaalsContact OD2-CD 3.26Å; D145-R417 WeakPolarHBondContact OD2-CD 3.35Å; D145-R417 WeakPolarHBondContact OD2-CG 3.37Å; D145-R417 IonicContact OD2-CZ 2.85Å; D145-R417 IonicContact OD2-NE 3.62Å; D145-R417 PolarHBondContact OD2-NE 2.73Å
146	D	79.6	Confident	86.8	Confident	116 Å²	116	52.8 Å²	52.8	62%	0.62	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-60.5	-18.4	-174	-48.9	-57.7	0	0	0	113.9	D148 R417	D146-D148 PolarHBondContact O-N 2.92Å; D146-R417 IonicContact OD2-CZ 3.58Å; D146-R417 IonicContact OD2-NH1 2.84Å; D146-R417 PolarHBondContact OD2-NH1 2.79Å; D146-R417 IonicContact OD2-NH2 3.37Å; D146-R417 PolarHBondContact OD2-NH2 2.77Å
147	S	86.3	Confident	86.9	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.049	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-79.9	3.2	177.3	69.2	0	0	0	0	113.9	E99 D145 W232 T236 Q237	E99-S147 VanDerWaalsContact OE1-CB 3.26Å; E99-S147 WeakPolarHBondContact OE1-CB 3.31Å; D145-S147 PolarHBondContact O-N 2.88Å; D145-S147 VanDerWaalsContact OD1-CB 3.32Å; D145-S147 WeakPolarHBondContact OD1-CB 3.31Å; D145-S147 PolarHBondContact OD1-N 3.02Å; D145-S147 PolarHBondContact OD1-OG 2.79Å; S147-W232 WeakPolarHBondContact OG-CZ3 3.48Å; S147-T236 WeakPolarHBondContact O-CG2 3.16Å; S147-T236 PolarHBondContact O-OG1 2.86Å; S147-Q237 VanDerWaalsContact CB-NE2 3.32Å; S147-Q237 PolarHBondContact OG-NE2 3.46Å
148	D	91.7	Very high	87	Confident	27 Å²	27	52.6 Å²	52.6	14%	0.144	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-84.6	-10.4	171.7	83.5	-33	0	0	0	114.3	A139 D145 D146 Q150 G151 T152 W232	A139-D148 HydrophobicContact CB-CB 3.44Å; A139-D148 VanDerWaalsContact CB-CB 3.44Å; A139-D148 WeakPolarHBondContact CB-OD2 3.39Å; D145-D148 WeakPolarHBondContact O-CB 3.33Å; D145-D148 PolarHBondContact O-N 3.28Å; D146-D148 PolarHBondContact O-N 2.92Å; D148-Q150 VanDerWaalsContact C-N 3.26Å; D148-Q150 PolarHBondContact O-N 3.02Å; D148-Q150 VanDerWaalsContact O-N 3.16Å; D148-G151 WeakPolarHBondContact O-CA 3.48Å; D148-G151 PolarHBondContact O-N 3.2Å; D148-T152 PolarHBondContact O-N 3.24Å; D148-T152 PolarHBondContact OD2-OG1 3.31Å; D148-W232 HydrophobicContact CB-CB 4.22Å; D148-W232 HydrophobicContact CB-CD2 4.06Å; D148-W232 HydrophobicContact CB-CE3 4.34Å; D148-W232 HydrophobicContact CB-CG 4.02Å
149	A	94.5	Very high	87.2	Confident	58 Å²	58	52.2 Å²	52.2	48%	0.479	28%	0.281	S	S	.	.	H	α-helix	trans	-53.4	-42	-173.1	0	0	0	0	0	112.9	T152 E153	A149-T152 PolarHBondContact O-N 3.24Å; A149-E153 WeakPolarHBondContact O-CB 3.3Å; A149-E153 PolarHBondContact O-N 2.85Å
150	Q	96.3	Very high	87.6	Confident	59 Å²	59	57.4 Å²	57.4	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-43	176	-70.9	-175.1	5.5	0	0	112.1	Y114 D148 E153 I154 L235 T236	Y114-Q150 VanDerWaalsContact CB-OE1 3.28Å; Y114-Q150 HydrophobicContact CD1-CG 3.95Å; Y114-Q150 HydrophobicContact CD2-CB 3.52Å; Y114-Q150 HydrophobicContact CD2-CG 3.81Å; Y114-Q150 HydrophobicContact CE1-CG 4.16Å; Y114-Q150 HydrophobicContact CE2-CB 3.88Å; Y114-Q150 HydrophobicContact CE2-CG 4.03Å; Y114-Q150 HydrophobicContact CG-CB 3.89Å; Y114-Q150 HydrophobicContact CG-CG 3.77Å; D148-Q150 VanDerWaalsContact C-N 3.26Å; D148-Q150 PolarHBondContact O-N 3.02Å; D148-Q150 VanDerWaalsContact O-N 3.16Å; Q150-E153 PolarHBondContact O-N 3.28Å; Q150-I154 WeakPolarHBondContact O-CG1 3.23Å; Q150-I154 PolarHBondContact O-N 2.91Å; Q150-L235 HydrophobicContact CB-CB 4.28Å; Q150-L235 HydrophobicContact CB-CD1 4.01Å; Q150-T236 HydrophobicContact CB-CG2 4.34Å; Q150-T236 HydrophobicContact CG-CG2 4.21Å
151	G	96.8	Very high	88.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-44.4	177.8	0	0	0	0	0	111.6	L137 D148 E153 I154 Y155	L137-G151 CarbonylContact O-C 3.4Å; L137-G151 VanDerWaalsContact O-CA 3.24Å; L137-G151 WeakPolarHBondContact O-CA 3.48Å; D148-G151 WeakPolarHBondContact O-CA 3.48Å; D148-G151 PolarHBondContact O-N 3.2Å; G151-E153 VanDerWaalsContact C-N 3.32Å; G151-E153 PolarHBondContact O-N 2.95Å; G151-I154 PolarHBondContact O-N 3.36Å; G151-Y155 PolarHBondContact O-N 2.89Å
152	T	95.6	Very high	89.6	Confident	40 Å²	40	48 Å²	48	25%	0.245	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-41.1	176.3	-69.7	0	0	0	0	111.7	L137 D148 A149 Y155 N156	L137-T152 PolarHBondContact O-N 3.4Å; D148-T152 PolarHBondContact O-N 3.24Å; D148-T152 PolarHBondContact OD2-OG1 3.31Å; A149-T152 PolarHBondContact O-N 3.24Å; T152-Y155 PolarHBondContact O-N 3.28Å; T152-N156 WeakPolarHBondContact O-CB 3.24Å; T152-N156 PolarHBondContact O-N 3.12Å; T152-N156 PolarHBondContact O-ND2 3.48Å
153	E	97.4	Very high	90.7	Very high	85 Å²	85	52.4 Å²	52.4	40%	0.397	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-42.9	176	-177.5	166.7	176.9	0	0	112.8	Y114 A149 Q150 G151 Y155 N156 T157	Y114-E153 HydrophobicContact CE2-CB 4.4Å; Y114-E153 PolarHBondContact OH-OE1 3.35Å; Y114-E153 PolarHBondContact OH-OE2 3.06Å; A149-E153 WeakPolarHBondContact O-CB 3.3Å; A149-E153 PolarHBondContact O-N 2.85Å; Q150-E153 PolarHBondContact O-N 3.28Å; G151-E153 VanDerWaalsContact C-N 3.32Å; G151-E153 PolarHBondContact O-N 2.95Å; E153-Y155 VanDerWaalsContact C-N 3.34Å; E153-Y155 PolarHBondContact O-N 2.99Å; E153-N156 PolarHBondContact O-N 3.18Å; E153-T157 VanDerWaalsContact O-CB 3.32Å; E153-T157 WeakPolarHBondContact O-CB 3.28Å; E153-T157 PolarHBondContact O-N 3.31Å; E153-T157 PolarHBondContact O-OG1 3.23Å
154	I	98.4	Very high	92.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-46.6	173.8	-68.8	-60.9	0	0	0	110.6	Y114 W117 L118 L121 L137 Q150 G151 T157 L158 W216 L235	Y114-I154 HydrophobicContact CD2-CD1 4Å; Y114-I154 HydrophobicContact CD2-CG1 3.87Å; Y114-I154 HydrophobicContact CE2-CD1 4.18Å; Y114-I154 HydrophobicContact CE2-CG1 4.17Å; W117-I154 HydrophobicContact CB-CD1 3.75Å; W117-I154 HydrophobicContact CE3-CG2 4.15Å; L118-I154 HydrophobicContact CB-CD1 3.99Å; L118-I154 HydrophobicContact CD1-CD1 4.47Å; L121-I154 HydrophobicContact CD1-CD1 4.09Å; L121-I154 HydrophobicContact CD1-CG2 4.02Å; L137-I154 HydrophobicContact CD1-CG2 4Å; L137-I154 HydrophobicContact CD2-CG2 4.44Å; Q150-I154 WeakPolarHBondContact O-CG1 3.23Å; Q150-I154 PolarHBondContact O-N 2.91Å; G151-I154 PolarHBondContact O-N 3.36Å; I154-T157 PolarHBondContact O-N 3.38Å; I154-L158 WeakPolarHBondContact O-CB 3.31Å; I154-L158 PolarHBondContact O-N 3.47Å; I154-W216 HydrophobicContact CG2-CH2 4.39Å; I154-L235 HydrophobicContact CG1-CD1 4.21Å
155	Y	97.5	Very high	93.7	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-45.9	178.4	-175.9	-83.6	0	0	0	112	L137 R138 G151 T152 E153 T157 L158 E159 E181 L184 L185	L137-Y155 HydrophobicContact CD1-CD2 4.47Å; R138-Y155 VanDerWaalsContact CD-CD1 3.48Å; R138-Y155 HydrophobicContact CG-CD1 3.96Å; R138-Y155 HydrophobicContact CG-CD2 4.24Å; R138-Y155 HydrophobicContact CG-CG 3.75Å; G151-Y155 PolarHBondContact O-N 2.89Å; T152-Y155 PolarHBondContact O-N 3.28Å; E153-Y155 VanDerWaalsContact C-N 3.34Å; E153-Y155 PolarHBondContact O-N 2.99Å; Y155-T157 VanDerWaalsContact C-N 3.27Å; Y155-T157 PolarHBondContact O-N 2.84Å; Y155-L158 WeakPolarHBondContact O-CB 3.5Å; Y155-L158 PolarHBondContact O-N 3.11Å; Y155-L158 VanDerWaalsContact O-N 3.17Å; Y155-E159 HydrophobicContact CD1-CG 4.17Å; Y155-E159 HydrophobicContact CE1-CG 3.76Å; Y155-E159 WeakPolarHBondContact CE1-OE1 3.48Å; Y155-E159 PolarHBondContact O-N 2.89Å; Y155-E181 HydrophobicContact CD2-CB 4.33Å; Y155-E181 HydrophobicContact CE2-CB 3.75Å; Y155-E181 HydrophobicContact CE2-CG 4.46Å; Y155-E181 PolarHBondContact OH-O 2.9Å; Y155-L184 WeakPolarHBondContact OH-CB 3.35Å; Y155-L185 HydrophobicContact CE2-CD1 4.18Å; Y155-L185 HydrophobicContact CE2-CD2 4.29Å; Y155-L185 HydrophobicContact CE2-CG 4.05Å
156	N	97.1	Very high	95	Very high	81 Å²	81	52 Å²	52	43%	0.433	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-36.6	178.2	-68.9	-19	0	0	0	111.8	T152 E153 E159 R160	T152-N156 WeakPolarHBondContact O-CB 3.24Å; T152-N156 PolarHBondContact O-N 3.12Å; T152-N156 PolarHBondContact O-ND2 3.48Å; E153-N156 PolarHBondContact O-N 3.18Å; N156-E159 PolarHBondContact O-N 3.05Å; N156-R160 PolarHBondContact O-N 3.37Å; N156-R160 VanDerWaalsContact O-N 3.1Å
157	T	98.1	Very high	95.9	Very high	12 Å²	12	46.7 Å²	46.7	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-39.9	175.6	-59.4	0	0	0	0	111.1	L118 L121 E153 I154 Y155 E159 R160 V161	L118-T157 HydrophobicContact CD1-CG2 4.28Å; L121-T157 HydrophobicContact CB-CG2 3.62Å; L121-T157 HydrophobicContact CD1-CG2 3.95Å; L121-T157 HydrophobicContact CG-CG2 4.26Å; E153-T157 VanDerWaalsContact O-CB 3.32Å; E153-T157 WeakPolarHBondContact O-CB 3.28Å; E153-T157 PolarHBondContact O-N 3.31Å; E153-T157 PolarHBondContact O-OG1 3.23Å; I154-T157 PolarHBondContact O-N 3.38Å; Y155-T157 VanDerWaalsContact C-N 3.27Å; Y155-T157 PolarHBondContact O-N 2.84Å; T157-E159 VanDerWaalsContact C-N 3.33Å; T157-E159 PolarHBondContact O-N 3.08Å; T157-R160 WeakPolarHBondContact O-CB 3.48Å; T157-R160 PolarHBondContact O-N 3.1Å; T157-R160 VanDerWaalsContact O-N 3.12Å; T157-V161 WeakPolarHBondContact O-CG2 3.33Å; T157-V161 PolarHBondContact O-N 3.31Å
158	L	97.7	Very high	96.4	Very high	2 Å²	2	47 Å²	47	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-41.2	173.8	-175.5	61.9	0	0	0	111.8	L121 L128 W135 I154 Y155 R160 V161 G162 V167 L185	L121-L158 HydrophobicContact CD2-CB 4.29Å; L121-L158 HydrophobicContact CD2-CD1 3.91Å; L128-L158 HydrophobicContact CD2-CD1 3.41Å; L128-L158 VanDerWaalsContact CD2-CD1 3.41Å; W135-L158 HydrophobicContact CH2-CD2 4.37Å; W135-L158 HydrophobicContact CZ3-CD2 4Å; I154-L158 WeakPolarHBondContact O-CB 3.31Å; I154-L158 PolarHBondContact O-N 3.47Å; Y155-L158 WeakPolarHBondContact O-CB 3.5Å; Y155-L158 PolarHBondContact O-N 3.11Å; Y155-L158 VanDerWaalsContact O-N 3.17Å; L158-R160 VanDerWaalsContact C-N 3.35Å; L158-R160 PolarHBondContact O-N 3.04Å; L158-V161 PolarHBondContact O-N 2.98Å; L158-G162 PolarHBondContact O-N 3.45Å; L158-V167 HydrophobicContact CD1-CG1 4Å; L158-L185 HydrophobicContact CD2-CD1 3.44Å; L158-L185 VanDerWaalsContact CD2-CD1 3.44Å; L158-L185 HydrophobicContact CG-CD1 4.02Å; L158-L185 HydrophobicContact CG-CD2 4.4Å
159	E	96.3	Very high	96.8	Very high	28 Å²	28	45.8 Å²	45.8	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-43.6	171.8	-70.1	-169.1	155.8	0	0	112.1	Y155 N156 T157 G162 R163 L185 Q188 L194	Y155-E159 HydrophobicContact CD1-CG 4.17Å; Y155-E159 HydrophobicContact CE1-CG 3.76Å; Y155-E159 WeakPolarHBondContact CE1-OE1 3.48Å; Y155-E159 PolarHBondContact O-N 2.89Å; N156-E159 PolarHBondContact O-N 3.05Å; T157-E159 VanDerWaalsContact C-N 3.33Å; T157-E159 PolarHBondContact O-N 3.08Å; E159-G162 PolarHBondContact O-N 3.35Å; E159-R163 WeakPolarHBondContact O-CG 3.5Å; E159-R163 PolarHBondContact O-N 3.33Å; E159-R163 IonicContact OE2-CZ 3.97Å; E159-R163 IonicContact OE2-NH2 2.99Å; E159-R163 PolarHBondContact OE2-NH2 3.34Å; E159-L185 HydrophobicContact CG-CD2 3.79Å; E159-Q188 PolarHBondContact OE1-OE1 2.56Å; E159-L194 HydrophobicContact CB-CD1 3.98Å; E159-L194 HydrophobicContact CG-CD1 4.02Å
160	R	96.2	Very high	97	Very high	111 Å²	111	43 Å²	43	42%	0.419	20%	0.197	S	C	.	.	H	α-helix	trans	-62.8	-44.6	178.5	-180	172.4	58.6	85.5	-2.9	111.5	N156 T157 L158 R163	N156-R160 PolarHBondContact O-N 3.37Å; N156-R160 VanDerWaalsContact O-N 3.1Å; T157-R160 WeakPolarHBondContact O-CB 3.48Å; T157-R160 PolarHBondContact O-N 3.1Å; T157-R160 VanDerWaalsContact O-N 3.12Å; L158-R160 VanDerWaalsContact C-N 3.35Å; L158-R160 PolarHBondContact O-N 3.04Å; R160-R163 PolarHBondContact O-N 3.1Å
161	V	97.3	Very high	97.1	Very high	8 Å²	8	40.4 Å²	40.4	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-48	174.6	172.8	0	0	0	0	110.2	L121 T124 T157 L158 R163 E164 R165 V167	L121-V161 HydrophobicContact CB-CG2 4.44Å; L121-V161 HydrophobicContact CD2-CB 4.44Å; L121-V161 HydrophobicContact CD2-CG2 3.96Å; L121-V161 WeakPolarHBondContact O-CG2 3.47Å; T124-V161 HydrophobicContact CG2-CG1 3.76Å; T157-V161 WeakPolarHBondContact O-CG2 3.33Å; T157-V161 PolarHBondContact O-N 3.31Å; L158-V161 PolarHBondContact O-N 2.98Å; V161-R163 PolarHBondContact O-N 3.2Å; V161-E164 PolarHBondContact O-N 3.34Å; V161-R165 HydrophobicContact CG1-CB 3.96Å; V161-R165 HydrophobicContact CG1-CG 4.26Å; V161-R165 WeakPolarHBondContact O-CB 3.39Å; V161-R165 PolarHBondContact O-N 3.08Å; V161-V167 HydrophobicContact CG1-CG2 3.95Å
162	G	96.4	Very high	97.1	Very high	10 Å²	10	41.2 Å²	41.2	10%	0.103	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-18.3	179.9	0	0	0	0	0	115.8	L158 E159 E164 L194	L158-G162 PolarHBondContact O-N 3.45Å; E159-G162 PolarHBondContact O-N 3.35Å; G162-E164 VanDerWaalsContact C-N 3.3Å; G162-L194 WeakPolarHBondContact CA-O 3.27Å
163	R	94.8	Very high	97.2	Very high	150 Å²	150	43.1 Å²	43.1	57%	0.566	20%	0.197	S	C	*	.	H	α-helix	trans	-73.4	-24.1	172	-73.8	174	-169	114.3	9.8	112.8	E159 R160 V161 L194	E159-R163 WeakPolarHBondContact O-CG 3.5Å; E159-R163 PolarHBondContact O-N 3.33Å; E159-R163 IonicContact OE2-CZ 3.97Å; E159-R163 IonicContact OE2-NH2 2.99Å; E159-R163 PolarHBondContact OE2-NH2 3.34Å; R160-R163 PolarHBondContact O-N 3.1Å; V161-R163 PolarHBondContact O-N 3.2Å; R163-L194 HydrophobicContact CB-CD2 4.47Å; R163-L194 HydrophobicContact CG-CD2 3.63Å
164	E	94.1	Very high	97	Very high	120 Å²	120	40.5 Å²	40.5	56%	0.561	19%	0.193	S	C	*	.	H	α-helix	trans	-126.8	-13.9	-169.4	-44.4	-179.6	-175.7	0	0	114.5	V161 G162	V161-E164 PolarHBondContact O-N 3.34Å; G162-E164 VanDerWaalsContact C-N 3.3Å
165	R	96.1	Very high	96.7	Very high	77 Å²	77	44.3 Å²	44.3	29%	0.291	22%	0.216	S	C	.	.	S	Bend	trans	-137.4	162.7	-171.2	-52.5	-62.9	-177.2	-87.8	-11.1	110.1	T124 Q125 V161	T124-R165 HydrophobicContact CG2-CB 4.25Å; T124-R165 HydrophobicContact CG2-CG 4.3Å; Q125-R165 VanDerWaalsContact C-CD 3.43Å; Q125-R165 WeakPolarHBondContact O-CD 3.45Å; Q125-R165 PolarHBondContact O-NE 3.31Å; V161-R165 HydrophobicContact CG1-CB 3.96Å; V161-R165 HydrophobicContact CG1-CG 4.26Å; V161-R165 WeakPolarHBondContact O-CB 3.39Å; V161-R165 PolarHBondContact O-N 3.08Å
166	Q	96.7	Very high	96.5	Very high	100 Å²	100	52.3 Å²	52.3	47%	0.467	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.1	175.4	-177.8	173.8	63.9	0	0	110.6	V126 S127 L128 L168	V126-Q166 PolarHBondContact O-N 3.11Å; S127-Q166 CarbonylContact C-O 3.58Å; S127-Q166 VanDerWaalsContact CA-O 3.28Å; S127-Q166 WeakPolarHBondContact CA-O 3.29Å; L128-Q166 PolarHBondContact N-O 3.18Å; Q166-L168 HydrophobicContact CG-CD2 3.86Å; Q166-L168 HydrophobicContact CG-CG 4.11Å
167	V	98.1	Very high	96.1	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.03	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.2	173.7	-179.1	0	0	0	0	109.1	L128 L158 V161 L169 A195 D196	L128-V167 HydrophobicContact CB-CG2 4.42Å; L128-V167 HydrophobicContact CD2-CG1 4.26Å; L128-V167 CarbonylContact O-C 3.56Å; L128-V167 WeakPolarHBondContact O-CA 3.22Å; L158-V167 HydrophobicContact CD1-CG1 4Å; V161-V167 HydrophobicContact CG1-CG2 3.95Å; V167-L169 HydrophobicContact CG1-CD1 4.46Å; V167-L169 HydrophobicContact CG1-CD2 3.82Å; V167-L169 HydrophobicContact CG1-CG 3.98Å; V167-A195 HydrophobicContact CB-CB 3.89Å; V167-A195 HydrophobicContact CG1-CB 3.73Å; V167-A195 CarbonylContact O-C 3.52Å; V167-A195 WeakPolarHBondContact O-CA 3.47Å; V167-D196 PolarHBondContact O-N 3.35Å
168	L	98.5	Very high	95.8	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.5	176.6	-54.3	-171	0	0	0	109.7	L128 H129 A130 Q166 D196 F259 W263	L128-L168 PolarHBondContact O-N 3.19Å; H129-L168 WeakPolarHBondContact CA-O 3.33Å; A130-L168 PolarHBondContact N-O 3.18Å; Q166-L168 HydrophobicContact CG-CD2 3.86Å; Q166-L168 HydrophobicContact CG-CG 4.11Å; L168-D196 HydrophobicContact CD2-CB 3.88Å; L168-F259 HydrophobicContact CB-CE1 4.05Å; L168-F259 HydrophobicContact CB-CZ 3.73Å; L168-F259 HydrophobicContact CD1-CE1 4.31Å; L168-F259 WeakPolarHBondContact O-CZ 3.33Å; L168-W263 HydrophobicContact CB-CE3 4.15Å; L168-W263 HydrophobicContact CB-CH2 3.93Å; L168-W263 HydrophobicContact CB-CZ3 3.71Å; L168-W263 HydrophobicContact CD1-CH2 4.45Å; L168-W263 HydrophobicContact CD1-CZ2 4.24Å; L168-W263 HydrophobicContact CD2-CH2 3.73Å; L168-W263 HydrophobicContact CD2-CZ2 3.89Å; L168-W263 HydrophobicContact CD2-CZ3 4.4Å; L168-W263 HydrophobicContact CG-CH2 4.24Å; L168-W263 HydrophobicContact CG-CZ2 4.45Å; L168-W263 HydrophobicContact CG-CZ3 4.47Å
169	L	98.6	Very high	95.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.1	-178.6	-55.9	180	0	0	0	110.7	A130 W135 V167 L185 A195 D196 V197 R198	A130-L169 HydrophobicContact CB-CD2 3.8Å; A130-L169 WeakPolarHBondContact O-CA 3.38Å; W135-L169 HydrophobicContact CH2-CD1 3.88Å; W135-L169 HydrophobicContact CH2-CD2 3.91Å; W135-L169 HydrophobicContact CH2-CG 4.45Å; W135-L169 HydrophobicContact CZ2-CB 4.4Å; W135-L169 HydrophobicContact CZ2-CD1 3.86Å; W135-L169 HydrophobicContact CZ2-CD2 4.16Å; W135-L169 HydrophobicContact CZ2-CG 4.37Å; V167-L169 HydrophobicContact CG1-CD1 4.46Å; V167-L169 HydrophobicContact CG1-CD2 3.82Å; V167-L169 HydrophobicContact CG1-CG 3.98Å; L169-L185 HydrophobicContact CD1-CD1 3.92Å; L169-A195 HydrophobicContact CD1-CB 3.82Å; L169-A195 HydrophobicContact CG-CB 4.12Å; L169-D196 PolarHBondContact N-O 2.87Å; L169-V197 HydrophobicContact CB-CG1 4.4Å; L169-V197 HydrophobicContact CB-CG2 4.18Å; L169-V197 HydrophobicContact CD1-CG2 4.17Å; L169-V197 CarbonylContact O-C 3.55Å; L169-V197 WeakPolarHBondContact O-CA 3.38Å; L169-R198 PolarHBondContact O-N 3.04Å
170	V	98.6	Very high	95.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.2	166.5	-172.7	0	0	0	0	109.9	A130 T131 A132 R198 M200 F259 W263	A130-V170 PolarHBondContact O-N 3.02Å; T131-V170 CarbonylContact C-O 3.58Å; T131-V170 WeakPolarHBondContact CA-O 3.49Å; T131-V170 HydrophobicContact CG2-CB 4.32Å; A132-V170 PolarHBondContact N-O 2.88Å; V170-R198 CarbonylContact C-O 3.58Å; V170-R198 WeakPolarHBondContact CA-O 3.47Å; V170-M200 HydrophobicContact CG1-CG 3.74Å; V170-M200 HydrophobicContact CG1-SD 3.75Å; V170-F259 HydrophobicContact CB-CE2 4.38Å; V170-F259 HydrophobicContact CG2-CD2 4.43Å; V170-F259 HydrophobicContact CG2-CE2 3.76Å; V170-F259 HydrophobicContact CG2-CZ 3.85Å; V170-W263 HydrophobicContact CG2-CB 4.22Å; V170-W263 HydrophobicContact CG2-CD2 4.49Å; V170-W263 HydrophobicContact CG2-CE3 3.57Å; V170-W263 HydrophobicContact CG2-CZ3 4.32Å
171	Q	98.2	Very high	95.6	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.023	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	170.6	-178.9	68.8	-174.6	33	0	0	113.5	A132 M179 S182 V197 R198 S199 M200	A132-Q171 WeakPolarHBondContact O-CA 3.49Å; Q171-M179 PolarHBondContact NE2-SD 3.1Å; Q171-S182 PolarHBondContact NE2-OG 2.91Å; Q171-S182 PolarHBondContact OE1-OG 2.87Å; Q171-V197 HydrophobicContact CG-CG1 4.24Å; Q171-R198 PolarHBondContact N-O 3.23Å; Q171-S199 WeakPolarHBondContact CG-OG 3.36Å; Q171-S199 PolarHBondContact NE2-OG 2.87Å; Q171-S199 CarbonylContact O-C 3.56Å; Q171-S199 WeakPolarHBondContact O-CA 3.23Å; Q171-M200 PolarHBondContact O-N 2.8Å
172	N	98	Very high	95.5	Very high	16 Å²	16	52.8 Å²	52.8	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.3	167.1	-172.6	57.6	0	0	0	110.5	A132 F133 G174 V210 M211	A132-N172 PolarHBondContact O-N 3.33Å; F133-N172 HydrophobicContact CD2-CB 3.86Å; F133-N172 HydrophobicContact CE2-CB 4.33Å; F133-N172 VanDerWaalsContact O-CB 3.26Å; F133-N172 WeakPolarHBondContact O-CB 3.32Å; N172-G174 VanDerWaalsContact C-N 3.34Å; N172-G174 PolarHBondContact O-N 3.32Å; N172-V210 VanDerWaalsContact OD1-CA 3.31Å; N172-V210 WeakPolarHBondContact OD1-CA 3.25Å; N172-V210 VanDerWaalsContact OD1-CB 3.29Å; N172-V210 WeakPolarHBondContact OD1-CB 3.39Å; N172-M211 HydrophobicContact CB-CB 3.83Å; N172-M211 PolarHBondContact OD1-N 2.92Å
173	L	96.7	Very high	95.4	Very high	80 Å²	80	53.6 Å²	53.6	42%	0.419	27%	0.274	S	S	.	.			trans	-71.5	95.3	164	-174.2	65.7	0	0	0	108.9	M179 M200 N201	L173-M179 HydrophobicContact CD1-CE 4.22Å; L173-M179 HydrophobicContact CD1-SD 4.18Å; L173-M200 WeakPolarHBondContact CB-O 3.48Å; L173-M200 PolarHBondContact N-O 3.08Å; L173-N201 HydrophobicContact CB-CB 4.29Å; L173-N201 HydrophobicContact CD2-CB 3.74Å; L173-N201 WeakPolarHBondContact CD2-ND2 3.33Å
174	G	93	Very high	95.4	Very high	30 Å²	30	48.7 Å²	48.7	31%	0.309	26%	0.259	S	S	.	.			trans	-106.9	-155.9	-179.1	0	0	0	0	0	113.4	N172 T178 M179	N172-G174 VanDerWaalsContact C-N 3.34Å; N172-G174 PolarHBondContact O-N 3.32Å; G174-T178 WeakPolarHBondContact CA-OG1 3.41Å; G174-M179 WeakPolarHBondContact O-CE 3.29Å
175	T	93.4	Very high	95.5	Very high	80 Å²	80	43 Å²	43	49%	0.491	23%	0.233	S	C	.	.			trans	-78.9	165	170.7	60.6	0	0	0	0	110.8	S177 T178 M179	T175-S177 PolarHBondContact O-N 2.95Å; T175-S177 PolarHBondContact OG1-OG 2.84Å; T175-T178 PolarHBondContact N-OG1 2.71Å; T175-T178 PolarHBondContact O-N 2.88Å; T175-T178 VanDerWaalsContact O-N 3.14Å; T175-T178 PolarHBondContact O-OG1 3.21Å; T175-T178 PolarHBondContact OG1-N 2.92Å; T175-T178 PolarHBondContact OG1-OG1 3.04Å; T175-M179 WeakPolarHBondContact O-CG 3.31Å; T175-M179 PolarHBondContact O-N 2.91Å
176	E	91.8	Very high	95.4	Very high	169 Å²	169	43.5 Å²	43.5	79%	0.79	24%	0.238	S	C	*	.	H	α-helix	trans	-54.4	-41.4	175	-172.8	173.9	-173.4	0	0	112.3	T178 M179 Q180	E176-T178 PolarHBondContact O-N 2.8Å; E176-M179 CarbonylContact O-C 3.03Å; E176-M179 PolarHBondContact O-N 2.89Å; E176-Q180 PolarHBondContact O-N 3.1Å
177	S	89.6	Confident	95.2	Very high	84 Å²	84	48.5 Å²	48.5	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-59.8	-43.4	177.5	55.6	0	0	0	0	113	T175 M179	T175-S177 PolarHBondContact O-N 2.95Å; T175-S177 PolarHBondContact OG1-OG 2.84Å; S177-M179 PolarHBondContact O-N 3.41Å
178	T	92.6	Very high	94.3	Very high	35 Å²	35	52.5 Å²	52.5	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-72.1	-13.8	-179.7	57.2	0	0	0	0	114.3	W135 G174 T175 E176	W135-T178 PolarHBondContact N-O 2.79Å; G174-T178 WeakPolarHBondContact CA-OG1 3.41Å; T175-T178 PolarHBondContact N-OG1 2.71Å; T175-T178 PolarHBondContact O-N 2.88Å; T175-T178 VanDerWaalsContact O-N 3.14Å; T175-T178 PolarHBondContact O-OG1 3.21Å; T175-T178 PolarHBondContact OG1-N 2.92Å; T175-T178 PolarHBondContact OG1-OG1 3.04Å; E176-T178 PolarHBondContact O-N 2.8Å
179	M	95	Very high	92.7	Very high	36 Å²	36	53.1 Å²	53.1	18%	0.177	28%	0.281	C	S	.	.	H	α-helix	trans	-116.9	0.2	-176.2	-59.4	-168.8	-63.3	0	0	112.7	Q171 L173 G174 T175 E176 S177 E181 S182 A183	Q171-M179 PolarHBondContact NE2-SD 3.1Å; L173-M179 HydrophobicContact CD1-CE 4.22Å; L173-M179 HydrophobicContact CD1-SD 4.18Å; G174-M179 WeakPolarHBondContact O-CE 3.29Å; T175-M179 WeakPolarHBondContact O-CG 3.31Å; T175-M179 PolarHBondContact O-N 2.91Å; E176-M179 CarbonylContact O-C 3.03Å; E176-M179 PolarHBondContact O-N 2.89Å; S177-M179 PolarHBondContact O-N 3.41Å; M179-E181 VanDerWaalsContact C-N 3.31Å; M179-E181 PolarHBondContact O-N 2.75Å; M179-S182 PolarHBondContact O-N 2.78Å; M179-S182 PolarHBondContact O-OG 3.33Å; M179-S182 VanDerWaalsContact O-OG 3.05Å; M179-A183 VanDerWaalsContact O-CB 3.27Å; M179-A183 WeakPolarHBondContact O-CB 3.41Å; M179-A183 PolarHBondContact O-N 3.07Å
180	Q	94.3	Very high	91.1	Very high	91 Å²	91	63 Å²	63	43%	0.425	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-41.7	-171.5	-173.1	-176.2	49.3	0	0	112	E176 L184	E176-Q180 PolarHBondContact O-N 3.1Å; Q180-L184 HydrophobicContact CG-CD1 4.37Å; Q180-L184 VanDerWaalsContact O-CG 3.3Å; Q180-L184 WeakPolarHBondContact O-CG 3.32Å; Q180-L184 PolarHBondContact O-N 3.36Å
181	E	95.3	Very high	89.6	Confident	5 Å²	5	72.8 Å²	72.8	2%	0.023	37%	0.367	C	S	.	.	H	α-helix	trans	-71.3	-43.3	-176.4	-59.4	-159.7	141.4	0	0	112.7	W135 T136 L137 R138 Y155 M179 A183 L184 L185	W135-E181 HydrophobicContact CB-CB 3.78Å; W135-E181 HydrophobicContact CB-CG 4.26Å; T136-E181 PolarHBondContact N-OE2 3.45Å; L137-E181 WeakPolarHBondContact CB-OE2 3.26Å; L137-E181 PolarHBondContact N-OE1 3.12Å; L137-E181 PolarHBondContact N-OE2 3.14Å; R138-E181 VanDerWaalsContact CB-OE1 3.27Å; R138-E181 WeakPolarHBondContact CB-OE1 3.47Å; R138-E181 WeakPolarHBondContact CG-OE1 3.35Å; R138-E181 IonicContact CZ-OE1 3.64Å; R138-E181 PolarHBondContact N-OE1 2.8Å; R138-E181 IonicContact NE-OE1 2.96Å; R138-E181 PolarHBondContact NE-OE1 3.05Å; R138-E181 IonicContact NH2-OE1 3.35Å; Y155-E181 HydrophobicContact CD2-CB 4.33Å; Y155-E181 HydrophobicContact CE2-CB 3.75Å; Y155-E181 HydrophobicContact CE2-CG 4.46Å; Y155-E181 PolarHBondContact OH-O 2.9Å; M179-E181 VanDerWaalsContact C-N 3.31Å; M179-E181 PolarHBondContact O-N 2.75Å; E181-A183 VanDerWaalsContact C-N 3.35Å; E181-L184 WeakPolarHBondContact O-CB 3.4Å; E181-L184 PolarHBondContact O-N 2.97Å; E181-L185 PolarHBondContact O-N 3.03Å; E181-L185 VanDerWaalsContact O-N 3.08Å
182	S	95.9	Very high	88.7	Confident	1 Å²	1	78.9 Å²	78.9	1%	0.007	40%	0.395	C	S	.	.	H	α-helix	trans	-68.1	-35.4	174.3	56.6	0	0	0	0	112.3	Q171 M179 L184 L185 Q186	Q171-S182 PolarHBondContact NE2-OG 2.91Å; Q171-S182 PolarHBondContact OE1-OG 2.87Å; M179-S182 PolarHBondContact O-N 2.78Å; M179-S182 PolarHBondContact O-OG 3.33Å; M179-S182 VanDerWaalsContact O-OG 3.05Å; S182-L184 PolarHBondContact O-N 2.98Å; S182-L185 PolarHBondContact O-N 2.93Å; S182-Q186 PolarHBondContact O-N 2.88Å
183	A	95.1	Very high	88.2	Confident	27 Å²	27	79.2 Å²	79.2	22%	0.223	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-32	172.5	0	0	0	0	0	112.4	M179 E181 R187	M179-A183 VanDerWaalsContact O-CB 3.27Å; M179-A183 WeakPolarHBondContact O-CB 3.41Å; M179-A183 PolarHBondContact O-N 3.07Å; E181-A183 VanDerWaalsContact C-N 3.35Å; A183-R187 VanDerWaalsContact O-CG 3.27Å; A183-R187 WeakPolarHBondContact O-CG 3.47Å; A183-R187 PolarHBondContact O-N 2.87Å
184	L	94.6	Very high	88.2	Confident	48 Å²	48	75.9 Å²	75.9	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-69.1	-47.9	172.9	-75.3	163.8	0	0	0	111.1	Y155 Q180 E181 S182 Q186 R187 Q188	Y155-L184 WeakPolarHBondContact OH-CB 3.35Å; Q180-L184 HydrophobicContact CG-CD1 4.37Å; Q180-L184 VanDerWaalsContact O-CG 3.3Å; Q180-L184 WeakPolarHBondContact O-CG 3.32Å; Q180-L184 PolarHBondContact O-N 3.36Å; E181-L184 WeakPolarHBondContact O-CB 3.4Å; E181-L184 PolarHBondContact O-N 2.97Å; S182-L184 PolarHBondContact O-N 2.98Å; L184-Q186 PolarHBondContact O-N 3.24Å; L184-R187 PolarHBondContact O-N 3.11Å; L184-Q188 HydrophobicContact CB-CG 4.48Å; L184-Q188 HydrophobicContact CD2-CG 4.44Å; L184-Q188 WeakPolarHBondContact O-CB 3.47Å; L184-Q188 WeakPolarHBondContact O-CG 3.48Å; L184-Q188 PolarHBondContact O-N 3.36Å
185	L	95.6	Very high	88.4	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-54	-42	173.4	-66.8	168.6	0	0	0	111.5	Y155 L158 E159 L169 E181 S182 R187 L194 A195	Y155-L185 HydrophobicContact CE2-CD1 4.18Å; Y155-L185 HydrophobicContact CE2-CD2 4.29Å; Y155-L185 HydrophobicContact CE2-CG 4.05Å; L158-L185 HydrophobicContact CD2-CD1 3.44Å; L158-L185 VanDerWaalsContact CD2-CD1 3.44Å; L158-L185 HydrophobicContact CG-CD1 4.02Å; L158-L185 HydrophobicContact CG-CD2 4.4Å; E159-L185 HydrophobicContact CG-CD2 3.79Å; L169-L185 HydrophobicContact CD1-CD1 3.92Å; E181-L185 PolarHBondContact O-N 3.03Å; E181-L185 VanDerWaalsContact O-N 3.08Å; S182-L185 PolarHBondContact O-N 2.93Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.07Å; L185-L194 HydrophobicContact CD2-CB 4.46Å; L185-L194 HydrophobicContact CD2-CD1 4.43Å; L185-L194 WeakPolarHBondContact O-CA 3.16Å; L185-L194 WeakPolarHBondContact O-CB 3.48Å; L185-L194 PolarHBondContact O-N 3.21Å; L185-A195 HydrophobicContact CB-CB 3.96Å; L185-A195 PolarHBondContact O-N 2.83Å
186	Q	94.2	Very high	88.6	Confident	86 Å²	86	73.5 Å²	73.5	40%	0.402	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-25.1	178	-166.3	172.4	34.6	0	0	114.3	S182 L184 G193 A195 V197	S182-Q186 PolarHBondContact O-N 2.88Å; L184-Q186 PolarHBondContact O-N 3.24Å; Q186-G193 WeakPolarHBondContact O-CA 3.47Å; Q186-A195 WeakPolarHBondContact CA-O 3.41Å; Q186-V197 HydrophobicContact CB-CG2 3.9Å; Q186-V197 HydrophobicContact CG-CG2 4.33Å
187	R	91.4	Very high	88.8	Confident	205 Å²	205	66.3 Å²	66.3	77%	0.774	33%	0.33	S	S	*	.	H	α-helix	trans	-105.7	-18.3	-175.1	-66.5	176.7	-172.4	-175.1	4.5	114.1	A183 L184 L185 G189	A183-R187 VanDerWaalsContact O-CG 3.27Å; A183-R187 WeakPolarHBondContact O-CG 3.47Å; A183-R187 PolarHBondContact O-N 2.87Å; L184-R187 PolarHBondContact O-N 3.11Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.07Å; R187-G189 PolarHBondContact O-N 3.02Å
188	Q	79.9	Confident	89.2	Confident	90 Å²	90	65.4 Å²	65.4	42%	0.421	31%	0.314	S	S	.	.			trans	-90.2	27.3	-164.2	-80.7	-173.9	-46.9	0	0	116.9	E159 L184 L194	E159-Q188 PolarHBondContact OE1-OE1 2.56Å; L184-Q188 HydrophobicContact CB-CG 4.48Å; L184-Q188 HydrophobicContact CD2-CG 4.44Å; L184-Q188 WeakPolarHBondContact O-CB 3.47Å; L184-Q188 WeakPolarHBondContact O-CG 3.48Å; L184-Q188 PolarHBondContact O-N 3.36Å; Q188-L194 HydrophobicContact CB-CD1 4.06Å; Q188-L194 HydrophobicContact CB-CG 4.37Å
189	G	64.4	Low	89.5	Confident	25 Å²	25	65.5 Å²	65.5	26%	0.258	32%	0.316	S	S	.	.	S	Bend	trans	-115.4	156	171.8	0	0	0	0	0	113.4	R187 F191 Q192	R187-G189 PolarHBondContact O-N 3.02Å; G189-F191 PolarHBondContact O-N 3.48Å; G189-Q192 CarbonylContact C-O 3.51Å; G189-Q192 WeakPolarHBondContact CA-O 3.38Å
190	F	65.1	Low	89.6	Confident	208 Å²	208	63.8 Å²	63.8	91%	0.912	31%	0.308	S	S	*	.	S	Bend	trans	-64.2	-39.6	-172.4	-110.8	-91.6	0	0	0	113
191	F	67.8	Low	89.7	Confident	206 Å²	206	62 Å²	62	90%	0.904	30%	0.301	S	S	*	.	S	Bend	trans	-121.6	-26.3	-176.3	-61.8	-74.2	0	0	0	113.1	G189	G189-F191 PolarHBondContact O-N 3.48Å
192	Q	79.1	Confident	89.7	Confident	133 Å²	133	61.8 Å²	61.8	62%	0.621	30%	0.3	S	S	*	.	S	Bend	trans	-148	152.7	177.8	-177.1	173.5	0.4	0	0	107.7	G189	G189-Q192 CarbonylContact C-O 3.51Å; G189-Q192 WeakPolarHBondContact CA-O 3.38Å
193	G	88.3	Confident	89.6	Confident	23 Å²	23	65.7 Å²	65.7	24%	0.237	32%	0.324	C	S	.	.			trans	-54.3	155.2	171.7	0	0	0	0	0	112.8	Q186 A195	Q186-G193 WeakPolarHBondContact O-CA 3.47Å; G193-A195 PolarHBondContact O-N 3.26Å
194	L	96.6	Very high	89.6	Confident	10 Å²	10	69.3 Å²	69.3	5%	0.052	34%	0.343	C	S	.	.	S	Bend	trans	-71	-17.1	174.5	-54.1	-178.6	0	0	0	112.4	E159 G162 R163 L185 Q188	E159-L194 HydrophobicContact CB-CD1 3.98Å; E159-L194 HydrophobicContact CG-CD1 4.02Å; G162-L194 WeakPolarHBondContact CA-O 3.27Å; R163-L194 HydrophobicContact CB-CD2 4.47Å; R163-L194 HydrophobicContact CG-CD2 3.63Å; L185-L194 HydrophobicContact CD2-CB 4.46Å; L185-L194 HydrophobicContact CD2-CD1 4.43Å; L185-L194 WeakPolarHBondContact O-CA 3.16Å; L185-L194 WeakPolarHBondContact O-CB 3.48Å; L185-L194 PolarHBondContact O-N 3.21Å; Q188-L194 HydrophobicContact CB-CD1 4.06Å; Q188-L194 HydrophobicContact CB-CG 4.37Å
195	A	97.2	Very high	89.6	Confident	3 Å²	3	69.2 Å²	69.2	3%	0.025	34%	0.34	C	S	.	.	S	Bend	trans	-149.4	146.7	175.4	0	0	0	0	0	111.3	V167 L169 L185 Q186 G193 V197	V167-A195 HydrophobicContact CB-CB 3.89Å; V167-A195 HydrophobicContact CG1-CB 3.73Å; V167-A195 CarbonylContact O-C 3.52Å; V167-A195 WeakPolarHBondContact O-CA 3.47Å; L169-A195 HydrophobicContact CD1-CB 3.82Å; L169-A195 HydrophobicContact CG-CB 4.12Å; L185-A195 HydrophobicContact CB-CB 3.96Å; L185-A195 PolarHBondContact O-N 2.83Å; Q186-A195 WeakPolarHBondContact CA-O 3.41Å; G193-A195 PolarHBondContact O-N 3.26Å; A195-V197 HydrophobicContact CB-CG2 4.42Å
196	D	96.6	Very high	89.6	Confident	58 Å²	58	71 Å²	71	31%	0.31	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125	166.1	-68.8	-43.5	0	0	0	109.1	V167 L168 L169 W263	V167-D196 PolarHBondContact O-N 3.35Å; L168-D196 HydrophobicContact CD2-CB 3.88Å; L169-D196 PolarHBondContact N-O 2.87Å; D196-W263 HydrophobicContact CB-CH2 3.69Å; D196-W263 HydrophobicContact CB-CZ2 4.29Å; D196-W263 WeakPolarHBondContact O-CH2 3.43Å
197	V	97.3	Very high	89.6	Confident	18 Å²	18	69.7 Å²	69.7	11%	0.109	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.9	-172.9	-172.2	0	0	0	0	110.8	L169 Q171 Q186 A195	L169-V197 HydrophobicContact CB-CG1 4.4Å; L169-V197 HydrophobicContact CB-CG2 4.18Å; L169-V197 HydrophobicContact CD1-CG2 4.17Å; L169-V197 CarbonylContact O-C 3.55Å; L169-V197 WeakPolarHBondContact O-CA 3.38Å; Q171-V197 HydrophobicContact CG-CG1 4.24Å; Q186-V197 HydrophobicContact CB-CG2 3.9Å; Q186-V197 HydrophobicContact CG-CG2 4.33Å; A195-V197 HydrophobicContact CB-CG2 4.42Å
198	R	97.7	Very high	89.8	Confident	64 Å²	64	60.7 Å²	60.7	24%	0.242	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.9	171.5	-68.8	-171.1	-178.3	-173	0.8	111.1	L169 V170 Q171 W263	L169-R198 PolarHBondContact O-N 3.04Å; V170-R198 CarbonylContact C-O 3.58Å; V170-R198 WeakPolarHBondContact CA-O 3.47Å; Q171-R198 PolarHBondContact N-O 3.23Å; R198-W263 HydrophobicContact CB-CE3 4.33Å; R198-W263 HydrophobicContact CB-CZ3 4.26Å; R198-W263 WeakPolarHBondContact CD-O 3.37Å; R198-W263 HydrophobicContact CG-CD2 4.36Å; R198-W263 HydrophobicContact CG-CE3 4.1Å; R198-W263 HydrophobicContact CG-CH2 4.01Å; R198-W263 HydrophobicContact CG-CZ2 4.32Å; R198-W263 HydrophobicContact CG-CZ3 3.9Å; R198-W263 VanDerWaalsContact CZ-CE2 3.46Å; R198-W263 VanDerWaalsContact CZ-NE1 3.28Å; R198-W263 VanDerWaalsContact NE-CE2 3.33Å; R198-W263 PolarHBondContact NH1-O 3.05Å
199	S	97.8	Very high	90.6	Very high	37 Å²	37	57.3 Å²	57.3	26%	0.259	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.6	-177.6	-64.3	0	0	0	0	110.8	Q171	Q171-S199 WeakPolarHBondContact CG-OG 3.36Å; Q171-S199 PolarHBondContact NE2-OG 2.87Å; Q171-S199 CarbonylContact O-C 3.56Å; Q171-S199 WeakPolarHBondContact O-CA 3.23Å
200	M	97.7	Very high	92.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.6	180	-65.8	-176.8	67.6	0	0	111.6	V170 Q171 L173 W205 M211 Y262 M265 F310	V170-M200 HydrophobicContact CG1-CG 3.74Å; V170-M200 HydrophobicContact CG1-SD 3.75Å; Q171-M200 PolarHBondContact O-N 2.8Å; L173-M200 WeakPolarHBondContact CB-O 3.48Å; L173-M200 PolarHBondContact N-O 3.08Å; M200-W205 HydrophobicContact CB-CH2 4.13Å; M200-W205 HydrophobicContact CB-CZ3 4.12Å; M200-W205 HydrophobicContact CE-CH2 4.32Å; M200-W205 HydrophobicContact CE-CZ3 3.94Å; M200-M211 HydrophobicContact CB-CB 4.35Å; M200-M211 HydrophobicContact SD-CG 4.28Å; M200-M211 HydrophobicContact SD-SD 3.73Å; M200-Y262 HydrophobicContact CE-CD1 4.07Å; M200-Y262 HydrophobicContact SD-CD1 4.06Å; M200-Y262 HydrophobicContact SD-CG 4.02Å; M200-M265 HydrophobicContact CE-CB 3.69Å; M200-M265 HydrophobicContact CE-CG 4.44Å; M200-F310 HydrophobicContact CE-CD2 4.24Å; M200-F310 HydrophobicContact CE-CE2 3.3Å; M200-F310 HydrophobicContact CE-CZ 3.5Å; M200-F310 VanDerWaalsContact CE-CZ 3.5Å
201	N	96	Very high	93.7	Very high	53 Å²	53	48 Å²	48	28%	0.283	27%	0.27	S	S	.	.			trans	-108.3	87.2	177.9	-170.5	-10.9	0	0	0	111.5	L173 T203 V204 W205	L173-N201 HydrophobicContact CB-CB 4.29Å; L173-N201 HydrophobicContact CD2-CB 3.74Å; L173-N201 WeakPolarHBondContact CD2-ND2 3.33Å; N201-T203 VanDerWaalsContact C-N 3.27Å; N201-T203 PolarHBondContact O-N 2.84Å; N201-T203 WeakPolarHBondContact OD1-CB 3.33Å; N201-T203 PolarHBondContact OD1-N 3.46Å; N201-V204 HydrophobicContact CB-CG2 4.17Å; N201-V204 VanDerWaalsContact ND2-CG2 3.35Å; N201-V204 WeakPolarHBondContact ND2-CG2 3.1Å; N201-V204 PolarHBondContact O-N 3.09Å; N201-W205 WeakPolarHBondContact O-CZ3 2.95Å
202	H	96	Very high	95.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-32.1	-176.9	-71.6	70.1	0	0	0	113.3	V204 W205 F206 S208 G209 V210 M211 F310 T452 A454	H202-V204 PolarHBondContact O-N 2.6Å; H202-W205 PolarHBondContact O-N 3.25Å; H202-F206 HydrophobicContact CB-CD2 4.29Å; H202-F206 PolarHBondContact O-N 2.89Å; H202-S208 CarbonylContact C-O 3.53Å; H202-G209 VanDerWaalsContact CB-C 3.44Å; H202-G209 WeakPolarHBondContact CB-O 3.43Å; H202-V210 PolarHBondContact CE1-O 2.87Å; H202-V210 VanDerWaalsContact ND1-C 3.27Å; H202-V210 PolarHBondContact NE2-O 2.86Å; H202-M211 VanDerWaalsContact CE1-CA 3.48Å; H202-M211 WeakPolarHBondContact CE1-CA 3.28Å; H202-M211 PolarHBondContact CE1-N 3.4Å; H202-M211 PolarHBondContact ND1-N 2.8Å; H202-F310 AromaticContact NE2-CE2 3.55Å; H202-T452 PolarHBondContact CD2-O 2.86Å; H202-T452 VanDerWaalsContact CD2-O 3.27Å; H202-A454 VanDerWaalsContact NE2-CB 3.25Å; H202-A454 WeakPolarHBondContact NE2-CB 3.24Å; H202-A454 PolarHBondContact NE2-N 3Å
203	T	93.4	Very high	96.1	Very high	84 Å²	84	32.1 Å²	32.1	52%	0.515	20%	0.199	S	C	.	.	H	α-helix	trans	-57.3	-33	177.3	-48.8	0	0	0	0	112.1	N201 W205 G207	N201-T203 VanDerWaalsContact C-N 3.27Å; N201-T203 PolarHBondContact O-N 2.84Å; N201-T203 WeakPolarHBondContact OD1-CB 3.33Å; N201-T203 PolarHBondContact OD1-N 3.46Å; T203-W205 VanDerWaalsContact C-N 3.34Å; T203-W205 PolarHBondContact O-N 2.91Å; T203-G207 VanDerWaalsContact O-CA 3.25Å; T203-G207 WeakPolarHBondContact O-CA 3.32Å; T203-G207 PolarHBondContact O-N 2.81Å
204	V	94.7	Very high	96.6	Very high	103 Å²	103	31 Å²	31	62%	0.624	19%	0.187	S	C	*	.	H	α-helix	trans	-68.4	-33	178.5	172	0	0	0	0	112.1	N201 H202	N201-V204 HydrophobicContact CB-CG2 4.17Å; N201-V204 VanDerWaalsContact ND2-CG2 3.35Å; N201-V204 WeakPolarHBondContact ND2-CG2 3.1Å; N201-V204 PolarHBondContact O-N 3.09Å; H202-V204 PolarHBondContact O-N 2.6Å
205	W	95	Very high	96.7	Very high	46 Å²	46	30.6 Å²	30.6	17%	0.174	19%	0.185	C	C	.	.	H	α-helix	trans	-96.9	-33.2	-175.3	-52.6	-53	0	0	0	113.4	M200 N201 H202 T203 M265 T270 L272 F310	M200-W205 HydrophobicContact CB-CH2 4.13Å; M200-W205 HydrophobicContact CB-CZ3 4.12Å; M200-W205 HydrophobicContact CE-CH2 4.32Å; M200-W205 HydrophobicContact CE-CZ3 3.94Å; N201-W205 WeakPolarHBondContact O-CZ3 2.95Å; H202-W205 PolarHBondContact O-N 3.25Å; T203-W205 VanDerWaalsContact C-N 3.34Å; T203-W205 PolarHBondContact O-N 2.91Å; W205-M265 HydrophobicContact CD2-CE 3.77Å; W205-M265 HydrophobicContact CE3-CE 4.23Å; W205-M265 HydrophobicContact CG-CE 4.33Å; W205-M265 HydrophobicContact CH2-CB 4Å; W205-M265 HydrophobicContact CH2-CE 3.98Å; W205-M265 VanDerWaalsContact CH2-O 3.27Å; W205-M265 WeakPolarHBondContact CH2-O 3.42Å; W205-M265 HydrophobicContact CZ2-CB 4.35Å; W205-M265 HydrophobicContact CZ2-CE 3.46Å; W205-M265 VanDerWaalsContact CZ2-CE 3.46Å; W205-M265 VanDerWaalsContact CZ2-O 3.28Å; W205-M265 WeakPolarHBondContact CZ2-O 3.16Å; W205-M265 HydrophobicContact CZ3-CE 4.34Å; W205-T270 PolarHBondContact NE1-O 3.45Å; W205-L272 HydrophobicContact CB-CD1 3.83Å; W205-L272 HydrophobicContact CB-CG 4.14Å; W205-L272 HydrophobicContact CG-CD1 4.39Å; W205-L272 HydrophobicContact CG-CG 4.16Å; W205-F310 HydrophobicContact CE3-CE1 4.48Å; W205-F310 AromaticContact CE3-CZ 3.88Å; W205-F310 HydrophobicContact CE3-CZ 3.88Å; W205-F310 AromaticContact CZ3-CZ 3.98Å; W205-F310 HydrophobicContact CZ3-CZ 3.98Å
206	F	95.5	Very high	96.8	Very high	37 Å²	37	30.4 Å²	30.4	16%	0.162	18%	0.184	C	C	.	.	H	α-helix	trans	-124.6	-5.9	-170.1	-51.1	-61.6	0	0	0	113.8	H202 S208 L272 P307 Q309 F310 T452	H202-F206 HydrophobicContact CB-CD2 4.29Å; H202-F206 PolarHBondContact O-N 2.89Å; F206-S208 PolarHBondContact O-N 2.84Å; F206-L272 HydrophobicContact CD1-CD1 4.43Å; F206-L272 HydrophobicContact CE1-CD1 3.61Å; F206-L272 HydrophobicContact CZ-CD1 3.91Å; F206-L272 HydrophobicContact CZ-CD2 4.27Å; F206-P307 HydrophobicContact CD2-CG 4.45Å; F206-P307 HydrophobicContact CE1-CG 4.08Å; F206-P307 HydrophobicContact CE2-CG 3.67Å; F206-P307 HydrophobicContact CZ-CG 3.45Å; F206-P307 VanDerWaalsContact CZ-CG 3.45Å; F206-Q309 HydrophobicContact CE1-CB 3.97Å; F206-Q309 HydrophobicContact CE1-CG 3.93Å; F206-Q309 HydrophobicContact CZ-CB 4.14Å; F206-F310 HydrophobicContact CE2-CE1 4.13Å; F206-F310 HydrophobicContact CE2-CE2 4.32Å; F206-F310 AromaticContact CE2-CZ 3.79Å; F206-F310 HydrophobicContact CE2-CZ 3.79Å; F206-F310 HydrophobicContact CZ-CD1 4.4Å; F206-F310 AromaticContact CZ-CE1 3.9Å; F206-F310 HydrophobicContact CZ-CE1 3.9Å; F206-F310 HydrophobicContact CZ-CZ 4.05Å; F206-T452 HydrophobicContact CB-CG2 3.87Å; F206-T452 WeakPolarHBondContact CD2-O 3.19Å
207	G	94.6	Very high	96.9	Very high	59 Å²	59	27.8 Å²	27.8	61%	0.608	17%	0.169	S	C	*	.	S	Bend	trans	74.5	-8.3	-173.6	0	0	0	0	0	114.7	T203	T203-G207 VanDerWaalsContact O-CA 3.25Å; T203-G207 WeakPolarHBondContact O-CA 3.32Å; T203-G207 PolarHBondContact O-N 2.81Å
208	S	95.3	Very high	96.9	Very high	17 Å²	17	26.9 Å²	26.9	12%	0.119	16%	0.164	C	C	.	.	S	Bend	trans	-159.3	-177.7	176.3	62.7	0	0	0	0	110.6	H202 F206 T452	H202-S208 CarbonylContact C-O 3.53Å; F206-S208 PolarHBondContact O-N 2.84Å; S208-T452 PolarHBondContact OG-OG1 2.88Å
209	G	96.5	Very high	97	Very high	19 Å²	19	25.7 Å²	25.7	20%	0.196	16%	0.162	C	C	.	.			trans	94.7	173.6	176	0	0	0	0	0	113.4	H202 T453	H202-G209 VanDerWaalsContact CB-C 3.44Å; H202-G209 WeakPolarHBondContact CB-O 3.43Å; G209-T453 WeakPolarHBondContact CA-OG1 3.27Å
210	V	97.4	Very high	96.9	Very high	37 Å²	37	26.4 Å²	26.4	22%	0.224	16%	0.164	C	C	.	.			trans	-148.2	166.7	-176.8	-66.2	0	0	0	0	110.9	F133 N172 H202 H212 T453 A454	F133-V210 HydrophobicContact CD2-CB 4.21Å; F133-V210 HydrophobicContact CD2-CG2 4.12Å; F133-V210 HydrophobicContact CE2-CB 3.77Å; F133-V210 HydrophobicContact CE2-CG1 3.93Å; F133-V210 HydrophobicContact CE2-CG2 3.73Å; F133-V210 HydrophobicContact CZ-CG2 4.36Å; N172-V210 VanDerWaalsContact OD1-CA 3.31Å; N172-V210 WeakPolarHBondContact OD1-CA 3.25Å; N172-V210 VanDerWaalsContact OD1-CB 3.29Å; N172-V210 WeakPolarHBondContact OD1-CB 3.39Å; H202-V210 PolarHBondContact CE1-O 2.87Å; H202-V210 VanDerWaalsContact ND1-C 3.27Å; H202-V210 PolarHBondContact NE2-O 2.86Å; V210-H212 HydrophobicContact CG2-CB 4.24Å; V210-H212 PolarHBondContact O-N 3.49Å; V210-T453 HydrophobicContact CG2-CG2 3.96Å; V210-T453 WeakPolarHBondContact O-CA 3.24Å; V210-T453 WeakPolarHBondContact O-CG2 3.32Å; V210-A454 PolarHBondContact O-N 3.07Å
211	M	97.8	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-77.3	110.7	164.4	-179.5	55.2	-168.9	0	0	109.4	T131 F133 N172 M200 H202 Y262 A454	T131-M211 HydrophobicContact CG2-CE 3.79Å; F133-M211 WeakPolarHBondContact CA-O 3.28Å; F133-M211 WeakPolarHBondContact CB-O 3.17Å; F133-M211 VanDerWaalsContact CD2-O 3.24Å; F133-M211 WeakPolarHBondContact CD2-O 3.29Å; N172-M211 HydrophobicContact CB-CB 3.83Å; N172-M211 PolarHBondContact OD1-N 2.92Å; M200-M211 HydrophobicContact CB-CB 4.35Å; M200-M211 HydrophobicContact SD-CG 4.28Å; M200-M211 HydrophobicContact SD-SD 3.73Å; H202-M211 VanDerWaalsContact CE1-CA 3.48Å; H202-M211 WeakPolarHBondContact CE1-CA 3.28Å; H202-M211 PolarHBondContact CE1-N 3.4Å; H202-M211 PolarHBondContact ND1-N 2.8Å; M211-Y262 HydrophobicContact CE-CD2 3.36Å; M211-Y262 HydrophobicContact CE-CE2 3.46Å; M211-Y262 VanDerWaalsContact CE-CE2 3.46Å; M211-Y262 HydrophobicContact CE-CG 4.03Å; M211-Y262 HydrophobicContact SD-CD2 4.18Å; M211-Y262 HydrophobicContact SD-CE2 4.25Å; M211-Y262 HydrophobicContact SD-CG 4.34Å; M211-A454 HydrophobicContact SD-CB 3.43Å; M211-A454 WeakPolarHBondContact SD-CB 3.5Å
212	H	98.2	Very high	97.1	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.028	16%	0.161	C	C	.	.			trans	-120.4	-4.2	-174	-158.4	-101.8	0	0	0	114.3	F133 V210 K214 T442 Y449 T453 A454	F133-H212 AromaticContact CD1-CD2 3.85Å; F133-H212 AromaticContact CG-CD2 3.93Å; V210-H212 HydrophobicContact CG2-CB 4.24Å; V210-H212 PolarHBondContact O-N 3.49Å; H212-K214 PolarHBondContact NE2-NZ 3.35Å; H212-K214 WeakPolarHBondContact O-CD 3.32Å; H212-K214 WeakPolarHBondContact O-CE 3.43Å; H212-K214 PolarHBondContact O-NZ 3.03Å; H212-T442 PolarHBondContact CE1-O 3.09Å; H212-T442 PolarHBondContact ND1-O 3.2Å; H212-Y449 AromaticContact CE1-CE1 3.64Å; H212-Y449 AromaticContact CG-CE1 3.88Å; H212-Y449 AromaticContact ND1-CD1 3.94Å; H212-Y449 AromaticContact ND1-CE1 3.61Å; H212-Y449 AromaticContact NE2-CE1 3.92Å; H212-T453 HydrophobicContact CB-CG2 3.39Å; H212-A454 CarbonylContact C-O 3.55Å; H212-A454 VanDerWaalsContact CA-O 3.23Å; H212-A454 WeakPolarHBondContact CA-O 3.35Å; H212-A454 VanDerWaalsContact CB-O 3.29Å; H212-A454 WeakPolarHBondContact CB-O 3.14Å; H212-A454 PolarHBondContact N-O 3.01Å
213	T	98.6	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.161	C	C	.	.			trans	-67.6	138.8	173.1	-47	0	0	0	0	111	T131 M215 Y262 T442 A454 G455 A456	T131-T213 PolarHBondContact OG1-O 3.49Å; T213-M215 HydrophobicContact CG2-CB 4.32Å; T213-M215 HydrophobicContact CG2-CE 3.33Å; T213-M215 HydrophobicContact CG2-CG 4.31Å; T213-Y262 HydrophobicContact CG2-CE2 4.27Å; T213-Y262 PolarHBondContact OG1-OH 2.95Å; T213-Y262 VanDerWaalsContact OG1-OH 3.14Å; T213-T442 HydrophobicContact CG2-CG2 4.26Å; T213-A454 PolarHBondContact N-O 3.35Å; T213-A454 PolarHBondContact OG1-O 2.95Å; T213-G455 WeakPolarHBondContact OG1-CA 3.32Å; T213-A456 HydrophobicContact CG2-CB 3.69Å
214	K	98.5	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.136	C	C	.	.			trans	-123	101.7	169.5	-48.9	101.4	167.9	65.3	0	107.8	T131 H212 G226 S227 A228 N229 T442	T131-K214 WeakPolarHBondContact O-CA 3.18Å; H212-K214 PolarHBondContact NE2-NZ 3.35Å; H212-K214 WeakPolarHBondContact O-CD 3.32Å; H212-K214 WeakPolarHBondContact O-CE 3.43Å; H212-K214 PolarHBondContact O-NZ 3.03Å; K214-G226 PolarHBondContact O-N 3.19Å; K214-S227 VanDerWaalsContact CE-O 3.27Å; K214-S227 WeakPolarHBondContact CE-O 3.37Å; K214-A228 WeakPolarHBondContact CB-O 3.37Å; K214-A228 WeakPolarHBondContact CG-O 3.45Å; K214-N229 WeakPolarHBondContact CE-OD1 3.45Å; K214-N229 PolarHBondContact NZ-OD1 2.9Å; K214-T442 HydrophobicContact CD-CG2 4.21Å
215	M	98.5	Very high	97.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.3	177.8	70.3	172.3	75.6	0	0	110.5	A130 T131 T213 I217 Y224 L255 I258 F259 Y262 A456	A130-M215 VanDerWaalsContact CA-O 3.29Å; A130-M215 WeakPolarHBondContact CA-O 3.46Å; T131-M215 HydrophobicContact CG2-CG 3.71Å; T131-M215 HydrophobicContact CG2-SD 4.31Å; T131-M215 PolarHBondContact N-O 3.21Å; T131-M215 WeakPolarHBondContact OG1-CG 3.44Å; T131-M215 PolarHBondContact OG1-N 3Å; T131-M215 VanDerWaalsContact OG1-N 3.1Å; T213-M215 HydrophobicContact CG2-CB 4.32Å; T213-M215 HydrophobicContact CG2-CE 3.33Å; T213-M215 HydrophobicContact CG2-CG 4.31Å; M215-I217 HydrophobicContact SD-CD1 3.87Å; M215-Y224 CarbonylContact C-O 3.47Å; M215-Y224 WeakPolarHBondContact CA-O 3.27Å; M215-Y224 WeakPolarHBondContact CB-O 3.33Å; M215-L255 HydrophobicContact CB-CD2 4.33Å; M215-L255 HydrophobicContact CE-CD1 3.77Å; M215-L255 HydrophobicContact CE-CG 4.36Å; M215-L255 HydrophobicContact SD-CD1 3.9Å; M215-L255 HydrophobicContact SD-CD2 4.28Å; M215-L255 HydrophobicContact SD-CG 3.81Å; M215-I258 HydrophobicContact CE-CB 4.23Å; M215-I258 HydrophobicContact CE-CG2 3.76Å; M215-F259 HydrophobicContact SD-CB 4.12Å; M215-Y262 HydrophobicContact CE-CE2 3.95Å; M215-A456 HydrophobicContact CE-CB 4.39Å
216	W	98.8	Very high	97.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.1	171	-62.9	61.1	0	0	0	107.3	W117 L120 L121 L128 H129 A130 I154 L223 Y224 M230	W117-W216 AromaticContact CD2-CE2 3.97Å; W117-W216 AromaticContact CD2-CZ2 3.89Å; W117-W216 HydrophobicContact CD2-CZ2 3.89Å; W117-W216 AromaticContact CD2-NE1 3.93Å; W117-W216 AromaticContact CE2-CE2 3.9Å; W117-W216 AromaticContact CE2-NE1 3.36Å; W117-W216 AromaticContact CE3-CZ2 3.92Å; W117-W216 HydrophobicContact CE3-CZ2 3.92Å; W117-W216 HydrophobicContact CG-CZ2 4.34Å; W117-W216 AromaticContact CZ2-NE1 3.55Å; W117-W216 HydrophobicContact CZ3-CZ2 4.24Å; W117-W216 AromaticContact NE1-CD1 3.83Å; W117-W216 AromaticContact NE1-NE1 3.51Å; L120-W216 HydrophobicContact CD1-CB 3.98Å; L120-W216 HydrophobicContact CD1-CG 4.49Å; L121-W216 HydrophobicContact CD1-CH2 4.38Å; L121-W216 HydrophobicContact CD1-CZ3 4.17Å; L121-W216 HydrophobicContact CD2-CZ3 3.87Å; L121-W216 HydrophobicContact CG-CZ3 3.87Å; L128-W216 HydrophobicContact CD1-CB 4.48Å; L128-W216 HydrophobicContact CD1-CD2 4.39Å; L128-W216 HydrophobicContact CD1-CE3 3.51Å; L128-W216 HydrophobicContact CD1-CZ3 4.12Å; L128-W216 HydrophobicContact CD2-CE3 4.02Å; L128-W216 HydrophobicContact CD2-CZ3 3.74Å; L128-W216 HydrophobicContact CG-CE3 4.37Å; H129-W216 CarbonylContact O-C 3.45Å; H129-W216 WeakPolarHBondContact O-CA 3.22Å; A130-W216 HydrophobicContact CB-CD2 4.08Å; A130-W216 HydrophobicContact CB-CE3 4.33Å; A130-W216 HydrophobicContact CB-CG 4.33Å; I154-W216 HydrophobicContact CG2-CH2 4.39Å; W216-L223 CarbonylContact O-C 3.54Å; W216-L223 WeakPolarHBondContact O-CA 3.25Å; W216-L223 WeakPolarHBondContact O-CB 3.46Å; W216-Y224 AromaticContact CD1-CD1 3.72Å; W216-Y224 PolarHBondContact N-O 3.17Å; W216-Y224 PolarHBondContact O-N 3.33Å; W216-M230 HydrophobicContact CZ2-CE 3.89Å
217	I	98.9	Very high	98	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.3	172.8	-57.1	139.9	0	0	0	106.9	H129 M215 H222 A252 L255 D256 F259	H129-I217 HydrophobicContact CB-CB 4.28Å; H129-I217 HydrophobicContact CB-CD1 4.39Å; H129-I217 PolarHBondContact N-O 3.27Å; H129-I217 PolarHBondContact O-N 3.07Å; M215-I217 HydrophobicContact SD-CD1 3.87Å; I217-H222 CarbonylContact C-O 3.57Å; I217-H222 WeakPolarHBondContact CA-O 3.27Å; I217-A252 HydrophobicContact CG2-CB 4.41Å; I217-L255 HydrophobicContact CD1-CG 4.18Å; I217-L255 HydrophobicContact CG1-CB 4.47Å; I217-L255 HydrophobicContact CG1-CD2 4.07Å; I217-L255 HydrophobicContact CG1-CG 4.18Å; I217-D256 HydrophobicContact CD1-CB 4.1Å; I217-F259 HydrophobicContact CD1-CB 3.76Å; I217-F259 HydrophobicContact CD1-CG 4.34Å
218	V	98.8	Very high	98.2	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.1	-178.6	175.2	0	0	0	0	108.9	L120 T124 S127 L128 D220 A221 H222	L120-V218 HydrophobicContact CB-CG2 4.02Å; L120-V218 HydrophobicContact CD2-CG2 4.13Å; T124-V218 HydrophobicContact CG2-CG1 4.2Å; T124-V218 VanDerWaalsContact OG1-CG1 3.3Å; T124-V218 WeakPolarHBondContact OG1-CG1 3.37Å; S127-V218 WeakPolarHBondContact O-CA 3.19Å; L128-V218 HydrophobicContact CD1-CG2 3.75Å; V218-D220 PolarHBondContact O-N 3.47Å; V218-A221 PolarHBondContact O-N 3.08Å; V218-H222 HydrophobicContact CB-CB 4.22Å; V218-H222 PolarHBondContact N-O 3.46Å; V218-H222 PolarHBondContact O-N 2.84Å
219	D	98.5	Very high	98.3	Very high	38 Å²	38	9.7 Å²	9.7	20%	0.203	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	32.5	174.5	-56.1	-25.3	0	0	0	114.8	Q125 V126 S127 A221	Q125-D219 WeakPolarHBondContact CA-OD2 3.44Å; Q125-D219 WeakPolarHBondContact CB-OD2 3.41Å; Q125-D219 PolarHBondContact N-OD2 2.97Å; V126-D219 WeakPolarHBondContact CA-OD1 3.33Å; V126-D219 WeakPolarHBondContact CB-OD1 3.49Å; V126-D219 PolarHBondContact N-OD1 2.93Å; S127-D219 PolarHBondContact N-OD1 3.31Å; S127-D219 PolarHBondContact O-N 2.85Å; D219-A221 PolarHBondContact O-N 3.04Å
220	D	97.4	Very high	98.4	Very high	53 Å²	53	8.8 Å²	8.8	28%	0.283	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	28.6	-172.3	-66.4	-30.7	0	0	0	113.7	V218 T249 A252 R253	V218-D220 PolarHBondContact O-N 3.47Å; D220-T249 WeakPolarHBondContact O-CA 3.47Å; D220-T249 WeakPolarHBondContact O-CG2 3.42Å; D220-A252 WeakPolarHBondContact O-CB 3.36Å; D220-R253 HydrophobicContact CB-CG 3.96Å
221	A	98.2	Very high	98.3	Very high	16 Å²	16	7.1 Å²	7.1	13%	0.132	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-28.8	-172.1	0	0	0	0	0	113.4	V218 D219 N247 C248	V218-A221 PolarHBondContact O-N 3.08Å; D219-A221 PolarHBondContact O-N 3.04Å; A221-N247 PolarHBondContact O-N 2.95Å; A221-C248 PolarHBondContact O-N 3.46Å
222	H	98.7	Very high	98.2	Very high	21 Å²	21	7.1 Å²	7.1	10%	0.097	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.4	179.2	-40.6	-85.7	0	0	0	109.8	L120 I217 V218 L245 F246 N247	L120-H222 HydrophobicContact CD2-CB 3.43Å; L120-H222 VanDerWaalsContact CD2-CB 3.43Å; I217-H222 CarbonylContact C-O 3.57Å; I217-H222 WeakPolarHBondContact CA-O 3.27Å; V218-H222 HydrophobicContact CB-CB 4.22Å; V218-H222 PolarHBondContact N-O 3.46Å; V218-H222 PolarHBondContact O-N 2.84Å; H222-L245 CarbonylContact C-O 3.55Å; H222-L245 VanDerWaalsContact CA-O 3.26Å; H222-L245 WeakPolarHBondContact CA-O 3.46Å; H222-F246 HydrophobicContact CB-CD1 4.11Å; H222-F246 WeakPolarHBondContact ND1-CA 3.12Å; H222-F246 AromaticContact ND1-CD1 3.44Å; H222-F246 WeakPolarHBondContact ND1-CD1 3.34Å; H222-F246 AromaticContact ND1-CG 3.9Å; H222-N247 PolarHBondContact CE1-OD1 3.05Å; H222-N247 PolarHBondContact ND1-N 3.31Å
223	L	98.8	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.1	177.6	66.2	87.3	0	0	0	112.9	W216 A244 L245 L251 A252 L255 F303	W216-L223 CarbonylContact O-C 3.54Å; W216-L223 WeakPolarHBondContact O-CA 3.25Å; W216-L223 WeakPolarHBondContact O-CB 3.46Å; L223-A244 CarbonylContact O-C 3.56Å; L223-A244 WeakPolarHBondContact O-CA 3.2Å; L223-L245 HydrophobicContact CD1-CB 4.23Å; L223-L245 HydrophobicContact CD1-CD1 4.2Å; L223-L245 HydrophobicContact CD1-CG 4.32Å; L223-L245 HydrophobicContact CD2-CB 4.46Å; L223-L245 HydrophobicContact CD2-CD1 4.13Å; L223-L245 HydrophobicContact CG-CB 4.01Å; L223-L245 HydrophobicContact CG-CD1 4.34Å; L223-L245 PolarHBondContact N-O 2.99Å; L223-L245 PolarHBondContact O-N 2.8Å; L223-L251 HydrophobicContact CD2-CB 4.16Å; L223-A252 HydrophobicContact CD2-CB 4.16Å; L223-L255 HydrophobicContact CB-CD2 3.93Å; L223-L255 HydrophobicContact CD1-CD2 4.11Å; L223-L255 HydrophobicContact CD2-CB 4.41Å; L223-L255 HydrophobicContact CD2-CD2 4.15Å; L223-L255 HydrophobicContact CG-CD2 4.27Å; L223-F303 HydrophobicContact CD1-CZ 4.35Å; L223-F303 HydrophobicContact CD2-CZ 3.96Å
224	Y	98.9	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.8	164	165.3	-86	0	0	0	109.5	V94 T113 V116 W117 M215 W216 A228 F243	V94-Y224 HydrophobicContact CB-CE2 4.11Å; V94-Y224 HydrophobicContact CG1-CE2 3.99Å; V94-Y224 HydrophobicContact CG2-CD2 4.24Å; V94-Y224 HydrophobicContact CG2-CE2 4.3Å; T113-Y224 HydrophobicContact CG2-CE2 4.48Å; V116-Y224 HydrophobicContact CG1-CD2 4.08Å; W117-Y224 HydrophobicContact CZ2-CE1 4.09Å; W117-Y224 AromaticContact NE1-CD1 3.43Å; W117-Y224 AromaticContact NE1-CD2 3.95Å; W117-Y224 AromaticContact NE1-CE1 3.39Å; W117-Y224 AromaticContact NE1-CE2 3.9Å; W117-Y224 AromaticContact NE1-CG 3.72Å; W117-Y224 AromaticContact NE1-CZ 3.64Å; M215-Y224 CarbonylContact C-O 3.47Å; M215-Y224 WeakPolarHBondContact CA-O 3.27Å; M215-Y224 WeakPolarHBondContact CB-O 3.33Å; W216-Y224 AromaticContact CD1-CD1 3.72Å; W216-Y224 PolarHBondContact N-O 3.17Å; W216-Y224 PolarHBondContact O-N 3.33Å; Y224-A228 WeakPolarHBondContact OH-CB 3.34Å; Y224-F243 CarbonylContact C-O 3.56Å; Y224-F243 WeakPolarHBondContact CA-O 3.38Å
225	I	98.8	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	136.6	166.2	-172.7	170.3	0	0	0	109.2	G242 F243 L255 F303 A456 V458	I225-G242 CarbonylContact O-C 3.6Å; I225-G242 VanDerWaalsContact O-CA 3.28Å; I225-G242 WeakPolarHBondContact O-CA 3.31Å; I225-F243 HydrophobicContact CG2-CB 4.34Å; I225-F243 PolarHBondContact N-O 3.41Å; I225-F243 PolarHBondContact O-N 3Å; I225-L255 HydrophobicContact CD1-CD1 4.48Å; I225-F303 HydrophobicContact CG2-CE1 4.45Å; I225-A456 HydrophobicContact CD1-CB 3.78Å; I225-V458 HydrophobicContact CG2-CB 4.13Å; I225-V458 HydrophobicContact CG2-CG1 3.94Å
226	G	98.5	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-168.8	-178.5	0	0	0	0	0	114.7	K214 M241 T442	K214-G226 PolarHBondContact O-N 3.19Å; G226-M241 WeakPolarHBondContact CA-O 3.41Å; G226-T442 WeakPolarHBondContact O-CG2 3.39Å
227	S	98.4	Very high	97.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-85.4	-19	-174.9	58.6	0	0	0	0	114.5	K214 N229 E240 M241 H428	K214-S227 VanDerWaalsContact CE-O 3.27Å; K214-S227 WeakPolarHBondContact CE-O 3.37Å; S227-N229 PolarHBondContact O-N 2.91Å; S227-E240 WeakPolarHBondContact CB-OE2 3.27Å; S227-E240 PolarHBondContact OG-OE2 3.41Å; S227-M241 PolarHBondContact N-O 2.94Å; S227-M241 PolarHBondContact OG-N 2.96Å; S227-M241 PolarHBondContact OG-O 3.26Å; S227-M241 VanDerWaalsContact OG-O 3.12Å; S227-H428 WeakPolarHBondContact CB-O 3.23Å; S227-H428 PolarHBondContact O-CE1 3.1Å; S227-H428 PolarHBondContact O-ND1 3.43Å; S227-H428 VanDerWaalsContact O-ND1 3.17Å; S227-H428 PolarHBondContact OG-O 3.46Å
228	A	98.5	Very high	97.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.			trans	-66.4	123.5	-173.1	0	0	0	0	0	113	T113 W117 K214 Y224 A234 E240	T113-A228 HydrophobicContact CG2-CB 3.73Å; W117-A228 HydrophobicContact CH2-CB 4.3Å; W117-A228 HydrophobicContact CZ2-CB 4.02Å; K214-A228 WeakPolarHBondContact CB-O 3.37Å; K214-A228 WeakPolarHBondContact CG-O 3.45Å; Y224-A228 WeakPolarHBondContact OH-CB 3.34Å; A228-A234 HydrophobicContact CB-CB 3.99Å; A228-E240 VanDerWaalsContact CA-CD 3.47Å; A228-E240 HydrophobicContact CB-CB 4.14Å; A228-E240 HydrophobicContact CB-CG 3.89Å; A228-E240 PolarHBondContact N-OE2 2.97Å
229	N	98	Very high	97.7	Very high	11 Å²	11	8.2 Å²	8.2	6%	0.059	5%	0.045	C	C	.	.			trans	-73	161.6	168	-66	-58.2	0	0	0	110.8	W117 Y134 K214 S227 D231 A234	W117-N229 WeakPolarHBondContact CH2-O 3.43Å; Y134-N229 HydrophobicContact CE1-CB 3.91Å; Y134-N229 HydrophobicContact CE2-CB 4.24Å; Y134-N229 PolarHBondContact OH-ND2 3.45Å; K214-N229 WeakPolarHBondContact CE-OD1 3.45Å; K214-N229 PolarHBondContact NZ-OD1 2.9Å; S227-N229 PolarHBondContact O-N 2.91Å; N229-D231 HydrophobicContact CB-CB 3.96Å; N229-D231 PolarHBondContact O-N 2.99Å; N229-A234 WeakPolarHBondContact O-CB 3.32Å
230	M	97.7	Very high	97.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	66.6	171.9	-75.3	58.2	178.6	0	0	109.5	W117 A130 T131 A132 Y134 W135 T136 L137 W216	W117-M230 HydrophobicContact CH2-CG 4.39Å; W117-M230 HydrophobicContact CH2-SD 4.18Å; A130-M230 HydrophobicContact CB-CE 4.46Å; T131-M230 WeakPolarHBondContact O-CE 3.38Å; A132-M230 HydrophobicContact CB-CB 4.24Å; A132-M230 HydrophobicContact CB-CE 4.21Å; A132-M230 HydrophobicContact CB-CG 3.85Å; A132-M230 HydrophobicContact CB-SD 3.64Å; Y134-M230 WeakPolarHBondContact O-CB 3.37Å; W135-M230 CarbonylContact C-O 3.58Å; W135-M230 WeakPolarHBondContact CA-O 3.38Å; W135-M230 HydrophobicContact CD2-CB 3.96Å; W135-M230 HydrophobicContact CD2-CG 4.29Å; W135-M230 HydrophobicContact CE3-CB 3.61Å; W135-M230 HydrophobicContact CE3-CG 3.83Å; W135-M230 HydrophobicContact CH2-CG 3.91Å; W135-M230 HydrophobicContact CZ2-CG 4.37Å; W135-M230 HydrophobicContact CZ3-CB 3.95Å; W135-M230 HydrophobicContact CZ3-CG 3.63Å; T136-M230 PolarHBondContact N-O 3.19Å; L137-M230 HydrophobicContact CG-CB 4.48Å; W216-M230 HydrophobicContact CZ2-CE 3.89Å
231	D	96.2	Very high	97.8	Very high	3 Å²	3	4.1 Å²	4.1	2%	0.016	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	128.9	-165.8	-174.2	-14.4	0	0	0	108.3	Y134 T136 N229 R233 A234	Y134-D231 HydrophobicContact CE2-CB 3.73Å; Y134-D231 VanDerWaalsContact CE2-OD2 3.28Å; Y134-D231 WeakPolarHBondContact CE2-OD2 3.31Å; Y134-D231 PolarHBondContact OH-OD2 2.78Å; T136-D231 PolarHBondContact OG1-OD1 3.43Å; N229-D231 HydrophobicContact CB-CB 3.96Å; N229-D231 PolarHBondContact O-N 2.99Å; D231-R233 PolarHBondContact O-N 2.84Å; D231-R233 VanDerWaalsContact O-N 3.16Å; D231-R233 WeakPolarHBondContact OD1-CB 3.24Å; D231-R233 IonicContact OD1-CZ 2.7Å; D231-R233 PolarHBondContact OD1-N 3.03Å; D231-R233 IonicContact OD1-NE 2.94Å; D231-R233 PolarHBondContact OD1-NE 3.22Å; D231-R233 IonicContact OD1-NH2 2.86Å; D231-R233 PolarHBondContact OD1-NH2 3.42Å; D231-R233 IonicContact OD2-CZ 2.8Å; D231-R233 IonicContact OD2-NE 3.34Å; D231-R233 PolarHBondContact OD2-NE 2.98Å; D231-R233 IonicContact OD2-NH2 3.77Å; D231-R233 PolarHBondContact OD2-NH2 2.89Å; D231-R233 VanDerWaalsContact OD2-NH2 3.15Å; D231-A234 HydrophobicContact CB-CB 4.26Å; D231-A234 VanDerWaalsContact O-CB 3.29Å; D231-A234 WeakPolarHBondContact O-CB 3.42Å; D231-A234 PolarHBondContact O-N 3.45Å
232	W	96.3	Very high	97.8	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-56.1	-33.3	177.3	69.6	-98.8	0	0	0	111.9	T136 A139 M142 D145 S147 D148 A234 L235 T236 Q237 I421	T136-W232 PolarHBondContact O-N 3.3Å; T136-W232 VanDerWaalsContact O-N 3.13Å; A139-W232 VanDerWaalsContact CA-CD1 3.5Å; A139-W232 VanDerWaalsContact CB-CD1 3.44Å; A139-W232 HydrophobicContact CB-CD2 4.34Å; A139-W232 HydrophobicContact CB-CG 4.12Å; A139-W232 VanDerWaalsContact CB-NE1 3.3Å; M142-W232 HydrophobicContact SD-CZ2 3.94Å; D145-W232 HydrophobicContact CB-CH2 4.43Å; S147-W232 WeakPolarHBondContact OG-CZ3 3.48Å; D148-W232 HydrophobicContact CB-CB 4.22Å; D148-W232 HydrophobicContact CB-CD2 4.06Å; D148-W232 HydrophobicContact CB-CE3 4.34Å; D148-W232 HydrophobicContact CB-CG 4.02Å; W232-A234 PolarHBondContact O-N 3.25Å; W232-L235 WeakPolarHBondContact O-CB 3.31Å; W232-L235 PolarHBondContact O-N 3.49Å; W232-T236 PolarHBondContact O-N 2.82Å; W232-T236 PolarHBondContact O-OG1 2.9Å; W232-Q237 HydrophobicContact CE3-CG 4.44Å; W232-Q237 HydrophobicContact CH2-CG 4.33Å; W232-Q237 HydrophobicContact CZ3-CG 3.63Å; W232-I421 HydrophobicContact CH2-CD1 4.06Å; W232-I421 HydrophobicContact CH2-CG1 4.28Å; W232-I421 HydrophobicContact CH2-CG2 3.55Å; W232-I421 HydrophobicContact CZ2-CG2 3.99Å; W232-I421 HydrophobicContact CZ3-CG2 4.42Å
233	R	95.6	Very high	97.8	Very high	9 Å²	9	2.3 Å²	2.3	3%	0.034	1%	0.012	C	C	.	.	H	α-helix	trans	-61.9	-33.4	176.8	-65.9	165.3	-75.9	-132.2	-13	111.9	T136 D141 D231 L235 T236 Q237 V238 I421 P422	T136-R233 PolarHBondContact OG1-NH2 3.44Å; D141-R233 IonicContact OD2-CZ 2.97Å; D141-R233 IonicContact OD2-NH1 3.06Å; D141-R233 PolarHBondContact OD2-NH1 2.96Å; D141-R233 IonicContact OD2-NH2 3.83Å; D141-R233 PolarHBondContact OD2-NH2 3.22Å; D231-R233 PolarHBondContact O-N 2.84Å; D231-R233 VanDerWaalsContact O-N 3.16Å; D231-R233 WeakPolarHBondContact OD1-CB 3.24Å; D231-R233 IonicContact OD1-CZ 2.7Å; D231-R233 PolarHBondContact OD1-N 3.03Å; D231-R233 IonicContact OD1-NE 2.94Å; D231-R233 PolarHBondContact OD1-NE 3.22Å; D231-R233 IonicContact OD1-NH2 2.86Å; D231-R233 PolarHBondContact OD1-NH2 3.42Å; D231-R233 IonicContact OD2-CZ 2.8Å; D231-R233 IonicContact OD2-NE 3.34Å; D231-R233 PolarHBondContact OD2-NE 2.98Å; D231-R233 IonicContact OD2-NH2 3.77Å; D231-R233 PolarHBondContact OD2-NH2 2.89Å; D231-R233 VanDerWaalsContact OD2-NH2 3.15Å; R233-L235 PolarHBondContact O-N 3.27Å; R233-T236 PolarHBondContact O-N 3.4Å; R233-Q237 HydrophobicContact CB-CB 4.33Å; R233-Q237 CarbonylContact O-C 3.54Å; R233-Q237 WeakPolarHBondContact O-CA 3.45Å; R233-Q237 PolarHBondContact O-N 3.15Å; R233-V238 HydrophobicContact CB-CG2 4.13Å; R233-V238 WeakPolarHBondContact O-CB 3.09Å; R233-V238 WeakPolarHBondContact O-CG2 3.4Å; R233-V238 PolarHBondContact O-N 3.12Å; R233-I421 HydrophobicContact CG-CG2 3.97Å; R233-P422 WeakPolarHBondContact CD-O 3.35Å
234	A	97.5	Very high	97.8	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.008	1%	0.012	C	C	.	.	H	α-helix	trans	-66.6	-18.4	177.1	0	0	0	0	0	113	S96 A228 N229 D231 W232 E240	S96-A234 WeakPolarHBondContact CB-O 3.49Å; S96-A234 PolarHBondContact OG-O 3.45Å; A228-A234 HydrophobicContact CB-CB 3.99Å; N229-A234 WeakPolarHBondContact O-CB 3.32Å; D231-A234 HydrophobicContact CB-CB 4.26Å; D231-A234 VanDerWaalsContact O-CB 3.29Å; D231-A234 WeakPolarHBondContact O-CB 3.42Å; D231-A234 PolarHBondContact O-N 3.45Å; W232-A234 PolarHBondContact O-N 3.25Å; A234-E240 HydrophobicContact CB-CG 4.19Å; A234-E240 WeakPolarHBondContact O-CG 3.47Å
235	L	97.6	Very high	97.8	Very high	6 Å²	6	2.3 Å²	2.3	3%	0.031	1%	0.012	C	C	.	.	H	α-helix	trans	-91.2	-36.4	180	-51.6	-176.7	0	0	0	111.8	T113 Y114 W117 Q150 I154 W232 R233	T113-L235 HydrophobicContact CG2-CD2 3.7Å; Y114-L235 HydrophobicContact CD2-CD1 4.48Å; W117-L235 HydrophobicContact CE3-CD2 3.99Å; W117-L235 HydrophobicContact CZ3-CD2 3.98Å; Q150-L235 HydrophobicContact CB-CB 4.28Å; Q150-L235 HydrophobicContact CB-CD1 4.01Å; I154-L235 HydrophobicContact CG1-CD1 4.21Å; W232-L235 WeakPolarHBondContact O-CB 3.31Å; W232-L235 PolarHBondContact O-N 3.49Å; R233-L235 PolarHBondContact O-N 3.27Å
236	T	96.2	Very high	97.8	Very high	7 Å²	7	2.4 Å²	2.4	4%	0.043	1%	0.012	C	C	.	.	H	α-helix	trans	-126	-20.5	-169.2	55.5	0	0	0	0	115.7	P98 E99 S147 Q150 W232 R233	P98-T236 CarbonylContact C-O 3.57Å; P98-T236 WeakPolarHBondContact CA-O 3.46Å; E99-T236 PolarHBondContact N-O 3.42Å; S147-T236 WeakPolarHBondContact O-CG2 3.16Å; S147-T236 PolarHBondContact O-OG1 2.86Å; Q150-T236 HydrophobicContact CB-CG2 4.34Å; Q150-T236 HydrophobicContact CG-CG2 4.21Å; W232-T236 PolarHBondContact O-N 2.82Å; W232-T236 PolarHBondContact O-OG1 2.9Å; R233-T236 PolarHBondContact O-N 3.4Å
237	Q	96.2	Very high	97.7	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-9	-169.7	-58.2	-59.3	-24.9	0	0	115.2	E99 S147 W232 R233 I421 R425	E99-Q237 VanDerWaalsContact CD-NE2 3.31Å; E99-Q237 PolarHBondContact OE2-NE2 2.96Å; S147-Q237 VanDerWaalsContact CB-NE2 3.32Å; S147-Q237 PolarHBondContact OG-NE2 3.46Å; W232-Q237 HydrophobicContact CE3-CG 4.44Å; W232-Q237 HydrophobicContact CH2-CG 4.33Å; W232-Q237 HydrophobicContact CZ3-CG 3.63Å; R233-Q237 HydrophobicContact CB-CB 4.33Å; R233-Q237 CarbonylContact O-C 3.54Å; R233-Q237 WeakPolarHBondContact O-CA 3.45Å; R233-Q237 PolarHBondContact O-N 3.15Å; Q237-I421 HydrophobicContact CG-CD1 3.94Å; Q237-R425 PolarHBondContact O-N 3.26Å; Q237-R425 VanDerWaalsContact O-N 3.1Å
238	V	97.7	Very high	97.7	Very high	7 Å²	7	7.5 Å²	7.5	4%	0.042	4%	0.04	C	C	.	.	S	Bend	trans	-121.3	138.2	-179.2	177.1	0	0	0	0	108.9	S96 P98 R233 E240 V426 H428	S96-V238 WeakPolarHBondContact CB-O 3.41Å; P98-V238 VanDerWaalsContact CG-C 3.49Å; R233-V238 HydrophobicContact CB-CG2 4.13Å; R233-V238 WeakPolarHBondContact O-CB 3.09Å; R233-V238 WeakPolarHBondContact O-CG2 3.4Å; R233-V238 PolarHBondContact O-N 3.12Å; V238-E240 HydrophobicContact CB-CG 4.4Å; V238-E240 HydrophobicContact CG1-CG 3.99Å; V238-E240 WeakPolarHBondContact CG1-OE1 3.27Å; V238-E240 PolarHBondContact O-N 2.77Å; V238-V426 HydrophobicContact CB-CG1 4.43Å; V238-V426 HydrophobicContact CG1-CG1 3.74Å; V238-V426 HydrophobicContact CG2-CG1 4.03Å; V238-H428 HydrophobicContact CG1-CB 3.35Å
239	K	98.3	Very high	97.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-82.4	118.4	174.5	178.7	179.2	170.4	74.6	0	108.1	E95 S96 P98 M101 Y103 F409 I411 V426 N427 H428 N429 D487	E95-K239 IonicContact OE1-NZ 3.63Å; E95-K239 PolarHBondContact OE1-NZ 2.79Å; S96-K239 VanDerWaalsContact O-CA 3.3Å; S96-K239 WeakPolarHBondContact O-CA 3.38Å; P98-K239 HydrophobicContact CG-CB 3.92Å; M101-K239 HydrophobicContact CE-CD 4.18Å; Y103-K239 PolarHBondContact OH-NZ 2.63Å; K239-F409 HydrophobicContact CD-CE1 3.86Å; K239-F409 HydrophobicContact CD-CZ 4.05Å; K239-I411 HydrophobicContact CB-CD1 3.71Å; K239-V426 PolarHBondContact N-O 2.88Å; K239-N427 HydrophobicContact CD-CB 4.47Å; K239-H428 WeakPolarHBondContact O-CA 3.38Å; K239-H428 WeakPolarHBondContact O-CB 3.17Å; K239-H428 PolarHBondContact O-N 2.98Å; K239-N429 PolarHBondContact O-OD1 3.19Å; K239-D487 WeakPolarHBondContact CE-OD2 3.29Å; K239-D487 VanDerWaalsContact NZ-CG 3.3Å; K239-D487 IonicContact NZ-OD1 2.85Å; K239-D487 PolarHBondContact NZ-OD1 2.91Å; K239-D487 VanDerWaalsContact NZ-OD1 3.13Å; K239-D487 IonicContact NZ-OD2 3.9Å; K239-D487 PolarHBondContact NZ-OD2 2.89Å
240	E	98.4	Very high	97.6	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.014	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.4	-174.8	-61.4	-71.6	-174.7	0	0	110.3	E95 S96 S227 A228 A234 V238 H428 N429	E95-E240 WeakPolarHBondContact CA-O 3.49Å; S96-E240 PolarHBondContact N-O 2.86Å; S96-E240 PolarHBondContact O-N 3.14Å; S227-E240 WeakPolarHBondContact CB-OE2 3.27Å; S227-E240 PolarHBondContact OG-OE2 3.41Å; A228-E240 VanDerWaalsContact CA-CD 3.47Å; A228-E240 HydrophobicContact CB-CB 4.14Å; A228-E240 HydrophobicContact CB-CG 3.89Å; A228-E240 PolarHBondContact N-OE2 2.97Å; A234-E240 HydrophobicContact CB-CG 4.19Å; A234-E240 WeakPolarHBondContact O-CG 3.47Å; V238-E240 HydrophobicContact CB-CG 4.4Å; V238-E240 HydrophobicContact CG1-CG 3.99Å; V238-E240 WeakPolarHBondContact CG1-OE1 3.27Å; V238-E240 PolarHBondContact O-N 2.77Å; E240-H428 IonicContact OE1-CG 3.22Å; E240-H428 IonicContact OE1-ND1 3.24Å; E240-H428 PolarHBondContact OE1-ND1 3.08Å; E240-H428 IonicContact OE2-CG 3.04Å; E240-H428 IonicContact OE2-ND1 3.72Å; E240-H428 PolarHBondContact OE2-ND1 3.28Å; E240-N429 WeakPolarHBondContact CA-OD1 3.36Å
241	M	98.6	Very high	97.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.5	173.9	-171.4	57.4	54.9	0	0	109.8	L93 V94 E95 G226 S227 N429 Y431 I440 L480 V483	L93-M241 HydrophobicContact CD1-CG 4.46Å; L93-M241 HydrophobicContact CD1-SD 3.51Å; L93-M241 VanDerWaalsContact CD1-SD 3.51Å; L93-M241 HydrophobicContact CD2-CE 4.39Å; L93-M241 HydrophobicContact CD2-SD 3.81Å; L93-M241 HydrophobicContact CG-SD 3.53Å; L93-M241 VanDerWaalsContact CG-SD 3.53Å; V94-M241 CarbonylContact O-C 3.57Å; V94-M241 WeakPolarHBondContact O-CA 3.29Å; E95-M241 HydrophobicContact CB-CE 4.26Å; E95-M241 HydrophobicContact CG-CE 4.23Å; G226-M241 WeakPolarHBondContact CA-O 3.41Å; S227-M241 PolarHBondContact N-O 2.94Å; S227-M241 PolarHBondContact OG-N 2.96Å; S227-M241 PolarHBondContact OG-O 3.26Å; S227-M241 VanDerWaalsContact OG-O 3.12Å; M241-N429 HydrophobicContact CB-CB 4.3Å; M241-N429 WeakPolarHBondContact CB-OD1 3.28Å; M241-N429 PolarHBondContact N-OD1 3.33Å; M241-N429 VanDerWaalsContact N-OD1 3.14Å; M241-Y431 HydrophobicContact CB-CD1 4.06Å; M241-Y431 HydrophobicContact CE-CE1 4.28Å; M241-Y431 HydrophobicContact CG-CD1 3.77Å; M241-Y431 HydrophobicContact CG-CE1 4.27Å; M241-I440 HydrophobicContact CG-CG2 4.34Å; M241-L480 HydrophobicContact CG-CD1 4.34Å; M241-L480 HydrophobicContact SD-CD1 4.19Å; M241-V483 HydrophobicContact CE-CG1 3.68Å
242	G	98.6	Very high	97.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	178.2	175.8	0	0	0	0	0	112.4	V94 I225	V94-G242 PolarHBondContact N-O 2.69Å; V94-G242 PolarHBondContact O-N 3.18Å; I225-G242 CarbonylContact O-C 3.6Å; I225-G242 VanDerWaalsContact O-CA 3.28Å; I225-G242 WeakPolarHBondContact O-CA 3.31Å
243	F	98.8	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.1	178.8	179.9	-114.7	0	0	0	109	A91 H92 Y224 I225 L245 L294 I440 V458 I460 I476	A91-F243 HydrophobicContact CB-CE2 4Å; A91-F243 HydrophobicContact CB-CZ 4.13Å; H92-F243 WeakPolarHBondContact O-CA 3.49Å; H92-F243 WeakPolarHBondContact O-CD2 3.5Å; Y224-F243 CarbonylContact C-O 3.56Å; Y224-F243 WeakPolarHBondContact CA-O 3.38Å; I225-F243 HydrophobicContact CG2-CB 4.34Å; I225-F243 PolarHBondContact N-O 3.41Å; I225-F243 PolarHBondContact O-N 3Å; F243-L245 HydrophobicContact CD1-CG 4.33Å; F243-L245 HydrophobicContact CE1-CD1 3.61Å; F243-L245 HydrophobicContact CE1-CD2 3.86Å; F243-L245 HydrophobicContact CE1-CG 3.48Å; F243-L245 VanDerWaalsContact CE1-CG 3.48Å; F243-L245 HydrophobicContact CE2-CD2 4.41Å; F243-L245 HydrophobicContact CZ-CD1 4.13Å; F243-L245 HydrophobicContact CZ-CD2 3.52Å; F243-L245 HydrophobicContact CZ-CG 3.7Å; F243-L294 HydrophobicContact CZ-CD1 4.08Å; F243-I440 HydrophobicContact CB-CD1 4.05Å; F243-V458 HydrophobicContact CB-CG1 4.04Å; F243-V458 HydrophobicContact CD1-CB 4.41Å; F243-V458 HydrophobicContact CD1-CG1 3.81Å; F243-V458 HydrophobicContact CD1-CG2 4.15Å; F243-V458 HydrophobicContact CE1-CG2 4.2Å; F243-V458 HydrophobicContact CG-CG1 4.14Å; F243-I460 HydrophobicContact CD1-CD1 4.12Å; F243-I460 HydrophobicContact CD2-CD1 3.9Å; F243-I460 HydrophobicContact CE1-CD1 3.74Å; F243-I460 HydrophobicContact CE2-CD1 3.53Å; F243-I460 HydrophobicContact CG-CD1 4.17Å; F243-I460 HydrophobicContact CZ-CD1 3.41Å; F243-I460 VanDerWaalsContact CZ-CD1 3.41Å; F243-I460 HydrophobicContact CZ-CG1 4.45Å; F243-I476 HydrophobicContact CD2-CG2 4.22Å; F243-I476 HydrophobicContact CE2-CD1 4.06Å; F243-I476 HydrophobicContact CE2-CG1 3.99Å; F243-I476 HydrophobicContact CE2-CG2 4Å
244	A	98.8	Very high	97.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.2	177.4	0	0	0	0	0	111.5	A91 H92 V94 V116 L223 F246	A91-A244 WeakPolarHBondContact CA-O 3.3Å; H92-A244 PolarHBondContact N-O 3.38Å; H92-A244 PolarHBondContact O-N 3.24Å; V94-A244 HydrophobicContact CG2-CB 3.78Å; V116-A244 HydrophobicContact CG1-CB 3.6Å; L223-A244 CarbonylContact O-C 3.56Å; L223-A244 WeakPolarHBondContact O-CA 3.2Å; A244-F246 HydrophobicContact CB-CE2 4.05Å
245	L	98.6	Very high	97.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.9	172.5	-67.1	168.7	0	0	0	109.5	C89 R90 A91 H222 L223 F243 C248 L251 L294	C89-L245 HydrophobicContact CB-CD2 3.95Å; R90-L245 WeakPolarHBondContact O-CA 3.42Å; A91-L245 HydrophobicContact CB-CD2 3.56Å; H222-L245 CarbonylContact C-O 3.55Å; H222-L245 VanDerWaalsContact CA-O 3.26Å; H222-L245 WeakPolarHBondContact CA-O 3.46Å; L223-L245 HydrophobicContact CD1-CB 4.23Å; L223-L245 HydrophobicContact CD1-CD1 4.2Å; L223-L245 HydrophobicContact CD1-CG 4.32Å; L223-L245 HydrophobicContact CD2-CB 4.46Å; L223-L245 HydrophobicContact CD2-CD1 4.13Å; L223-L245 HydrophobicContact CG-CB 4.01Å; L223-L245 HydrophobicContact CG-CD1 4.34Å; L223-L245 PolarHBondContact N-O 2.99Å; L223-L245 PolarHBondContact O-N 2.8Å; F243-L245 HydrophobicContact CD1-CG 4.33Å; F243-L245 HydrophobicContact CE1-CD1 3.61Å; F243-L245 HydrophobicContact CE1-CD2 3.86Å; F243-L245 HydrophobicContact CE1-CG 3.48Å; F243-L245 VanDerWaalsContact CE1-CG 3.48Å; F243-L245 HydrophobicContact CE2-CD2 4.41Å; F243-L245 HydrophobicContact CZ-CD1 4.13Å; F243-L245 HydrophobicContact CZ-CD2 3.52Å; F243-L245 HydrophobicContact CZ-CG 3.7Å; L245-C248 HydrophobicContact CB-CB 3.79Å; L245-C248 HydrophobicContact CD1-CB 4.28Å; L245-L251 HydrophobicContact CD1-CB 4.08Å; L245-L251 HydrophobicContact CD1-CD1 3.44Å; L245-L251 VanDerWaalsContact CD1-CD1 3.44Å; L245-L251 HydrophobicContact CD1-CG 4.42Å; L245-L294 HydrophobicContact CD2-CD2 3.57Å
246	F	98.6	Very high	98	Very high	1 Å²	1	15 Å²	15	0%	0.004	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.8	172.5	-60.9	-97.3	0	0	0	110	R90 H92 V116 E119 L120 H222 A244 C248	R90-F246 HydrophobicContact CB-CB 4.37Å; R90-F246 PolarHBondContact N-O 2.8Å; R90-F246 PolarHBondContact O-N 3.05Å; H92-F246 AromaticContact CD2-CD2 3.85Å; H92-F246 AromaticContact CD2-CE2 3.74Å; V116-F246 HydrophobicContact CG1-CZ 4.4Å; E119-F246 HydrophobicContact CB-CE1 4.21Å; E119-F246 HydrophobicContact CB-CZ 4.23Å; E119-F246 HydrophobicContact CG-CE1 3.67Å; E119-F246 HydrophobicContact CG-CZ 3.99Å; E119-F246 WeakPolarHBondContact OE2-CZ 3.37Å; L120-F246 HydrophobicContact CD2-CE1 3.92Å; L120-F246 HydrophobicContact CD2-CZ 4.4Å; L120-F246 HydrophobicContact CG-CE1 4.26Å; L120-F246 HydrophobicContact CG-CZ 4.44Å; H222-F246 HydrophobicContact CB-CD1 4.11Å; H222-F246 WeakPolarHBondContact ND1-CA 3.12Å; H222-F246 AromaticContact ND1-CD1 3.44Å; H222-F246 WeakPolarHBondContact ND1-CD1 3.34Å; H222-F246 AromaticContact ND1-CG 3.9Å; A244-F246 HydrophobicContact CB-CE2 4.05Å; F246-C248 VanDerWaalsContact C-N 3.29Å; F246-C248 PolarHBondContact O-N 3.31Å
247	N	97.8	Very high	98	Very high	107 Å²	107	15.7 Å²	15.7	57%	0.572	8%	0.075	S	C	*	.	S	Bend	trans	57.7	40.7	-177.2	-56.3	-27	0	0	0	112.6	A221 H222	A221-N247 PolarHBondContact O-N 2.95Å; H222-N247 PolarHBondContact CE1-OD1 3.05Å; H222-N247 PolarHBondContact ND1-N 3.31Å
248	C	98.1	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.			trans	-123.2	60.8	-172.6	-150	0	0	0	0	112.4	C89 A221 L245 F246 C250 L251 A252	C89-C248 HydrophobicContact CB-CB 3.55Å; C89-C248 WeakPolarHBondContact CB-SG 3.48Å; C89-C248 WeakPolarHBondContact SG-CA 3.27Å; C89-C248 WeakPolarHBondContact SG-CB 3.2Å; C89-C248 CovalentContact SG-SG 2.04Å; C89-C248 PolarHBondContact SG-SG 3.12Å; A221-C248 PolarHBondContact O-N 3.46Å; L245-C248 HydrophobicContact CB-CB 3.79Å; L245-C248 HydrophobicContact CD1-CB 4.28Å; F246-C248 VanDerWaalsContact C-N 3.29Å; F246-C248 PolarHBondContact O-N 3.31Å; C248-C250 VanDerWaalsContact C-N 3.26Å; C248-C250 PolarHBondContact O-N 2.93Å; C248-L251 PolarHBondContact O-N 3.06Å; C248-A252 WeakPolarHBondContact O-CB 3.33Å; C248-A252 PolarHBondContact O-N 2.88Å
249	T	97.5	Very high	98.2	Very high	36 Å²	36	15.6 Å²	15.6	22%	0.221	7%	0.074	C	C	.	.	H	α-helix	trans	-54.1	-38.9	-174.2	-52.6	0	0	0	0	114.2	L83 D220 L251 R253	L83-T249 HydrophobicContact CD2-CG2 4.22Å; D220-T249 WeakPolarHBondContact O-CA 3.47Å; D220-T249 WeakPolarHBondContact O-CG2 3.42Å; T249-L251 PolarHBondContact O-N 3.47Å; T249-R253 HydrophobicContact CG2-CG 4.3Å; T249-R253 WeakPolarHBondContact O-CB 3.46Å; T249-R253 VanDerWaalsContact O-CG 3.32Å; T249-R253 WeakPolarHBondContact O-CG 3.31Å; T249-R253 PolarHBondContact O-N 3.35Å
250	C	96.6	Very high	98.2	Very high	4 Å²	4	18 Å²	18	3%	0.027	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-46.7	-178.3	-172.6	0	0	0	0	112.2	E80 L83 C84 C248 D254	E80-C250 PolarHBondContact O-SG 3.26Å; L83-C250 HydrophobicContact CD2-CB 4.06Å; L83-C250 HydrophobicContact CG-CB 4.02Å; C84-C250 VanDerWaalsContact CA-SG 3.57Å; C84-C250 HydrophobicContact CB-CB 3.93Å; C84-C250 WeakPolarHBondContact CB-SG 3.28Å; C84-C250 WeakPolarHBondContact SG-CB 3.5Å; C84-C250 CovalentContact SG-SG 2.01Å; C84-C250 PolarHBondContact SG-SG 3.07Å; C248-C250 VanDerWaalsContact C-N 3.26Å; C248-C250 PolarHBondContact O-N 2.93Å; C250-D254 PolarHBondContact O-N 3.47Å
251	L	98.1	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-78.5	-33.6	-179.8	-69.1	-179.1	0	0	0	112.7	L223 L245 C248 T249 D254 L255 A290 L292 V301 F303	L223-L251 HydrophobicContact CD2-CB 4.16Å; L245-L251 HydrophobicContact CD1-CB 4.08Å; L245-L251 HydrophobicContact CD1-CD1 3.44Å; L245-L251 VanDerWaalsContact CD1-CD1 3.44Å; L245-L251 HydrophobicContact CD1-CG 4.42Å; C248-L251 PolarHBondContact O-N 3.06Å; T249-L251 PolarHBondContact O-N 3.47Å; L251-D254 PolarHBondContact O-N 3.43Å; L251-L255 PolarHBondContact O-N 3.31Å; L251-A290 HydrophobicContact CD2-CB 3.73Å; L251-L292 HydrophobicContact CD1-CD1 3.73Å; L251-L292 HydrophobicContact CD1-CD2 4.08Å; L251-L292 HydrophobicContact CG-CD1 4.29Å; L251-V301 HydrophobicContact CD1-CB 3.99Å; L251-V301 HydrophobicContact CD1-CG1 3.75Å; L251-V301 HydrophobicContact CD1-CG2 4.33Å; L251-V301 HydrophobicContact CD2-CB 4.25Å; L251-V301 HydrophobicContact CD2-CG1 4.11Å; L251-F303 HydrophobicContact CB-CE2 4.05Å; L251-F303 HydrophobicContact CB-CZ 4.34Å; L251-F303 HydrophobicContact CD2-CE2 4.12Å; L251-F303 WeakPolarHBondContact O-CE2 3.24Å
252	A	98.4	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-44.9	175.6	0	0	0	0	0	111.5	I217 D220 L223 C248 D254 L255 D256	I217-A252 HydrophobicContact CG2-CB 4.41Å; D220-A252 WeakPolarHBondContact O-CB 3.36Å; L223-A252 HydrophobicContact CD2-CB 4.16Å; C248-A252 WeakPolarHBondContact O-CB 3.33Å; C248-A252 PolarHBondContact O-N 2.88Å; A252-D254 VanDerWaalsContact C-N 3.34Å; A252-D254 PolarHBondContact O-N 3.05Å; A252-L255 PolarHBondContact O-N 3.5Å; A252-D256 PolarHBondContact O-N 2.98Å
253	R	97.2	Very high	98.2	Very high	125 Å²	125	19.6 Å²	19.6	47%	0.472	9%	0.092	S	C	.	.	H	α-helix	trans	-62.4	-38.8	173.2	-72.1	179.3	175.6	173.2	0.2	112.8	D220 T249 D256 K257	D220-R253 HydrophobicContact CB-CG 3.96Å; T249-R253 HydrophobicContact CG2-CG 4.3Å; T249-R253 WeakPolarHBondContact O-CB 3.46Å; T249-R253 VanDerWaalsContact O-CG 3.32Å; T249-R253 WeakPolarHBondContact O-CG 3.31Å; T249-R253 PolarHBondContact O-N 3.35Å; R253-D256 PolarHBondContact O-N 2.7Å; R253-K257 PolarHBondContact O-N 2.97Å
254	D	97.8	Very high	98.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-40.3	178	-170.5	55.8	0	0	0	112.5	C250 L251 A252 D256 K257 T282 F284 F303 R315	C250-D254 PolarHBondContact O-N 3.47Å; L251-D254 PolarHBondContact O-N 3.43Å; A252-D254 VanDerWaalsContact C-N 3.34Å; A252-D254 PolarHBondContact O-N 3.05Å; D254-D256 VanDerWaalsContact C-N 3.33Å; D254-K257 WeakPolarHBondContact O-CB 3.47Å; D254-K257 PolarHBondContact O-N 2.92Å; D254-T282 WeakPolarHBondContact OD1-CB 3.37Å; D254-T282 PolarHBondContact OD1-OG1 3.39Å; D254-F284 HydrophobicContact CB-CD2 3.93Å; D254-F284 HydrophobicContact CB-CE2 4.22Å; D254-F303 HydrophobicContact CB-CD2 4.42Å; D254-F303 WeakPolarHBondContact OD2-CD2 3.37Å; D254-R315 PolarHBondContact O-NH2 3.13Å; D254-R315 IonicContact OD1-CZ 3.42Å; D254-R315 IonicContact OD1-NH1 3.15Å; D254-R315 IonicContact OD1-NH2 3.36Å; D254-R315 PolarHBondContact OD1-NH2 2.97Å; D254-R315 IonicContact OD2-CZ 3.77Å; D254-R315 IonicContact OD2-NH1 3.52Å; D254-R315 PolarHBondContact OD2-NH1 3.03Å; D254-R315 IonicContact OD2-NH2 3.4Å; D254-R315 PolarHBondContact OD2-NH2 3.3Å
255	L	98.5	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67	-36.8	174.4	-173.2	60.2	0	0	0	111.2	M215 I217 L223 I225 L251 A252 K257 I258 F259 F303	M215-L255 HydrophobicContact CB-CD2 4.33Å; M215-L255 HydrophobicContact CE-CD1 3.77Å; M215-L255 HydrophobicContact CE-CG 4.36Å; M215-L255 HydrophobicContact SD-CD1 3.9Å; M215-L255 HydrophobicContact SD-CD2 4.28Å; M215-L255 HydrophobicContact SD-CG 3.81Å; I217-L255 HydrophobicContact CD1-CG 4.18Å; I217-L255 HydrophobicContact CG1-CB 4.47Å; I217-L255 HydrophobicContact CG1-CD2 4.07Å; I217-L255 HydrophobicContact CG1-CG 4.18Å; L223-L255 HydrophobicContact CB-CD2 3.93Å; L223-L255 HydrophobicContact CD1-CD2 4.11Å; L223-L255 HydrophobicContact CD2-CB 4.41Å; L223-L255 HydrophobicContact CD2-CD2 4.15Å; L223-L255 HydrophobicContact CG-CD2 4.27Å; I225-L255 HydrophobicContact CD1-CD1 4.48Å; L251-L255 PolarHBondContact O-N 3.31Å; A252-L255 PolarHBondContact O-N 3.5Å; L255-K257 PolarHBondContact O-N 3.03Å; L255-I258 HydrophobicContact CD1-CD1 4.17Å; L255-I258 WeakPolarHBondContact O-CA 3.46Å; L255-I258 WeakPolarHBondContact O-CB 3.24Å; L255-I258 PolarHBondContact O-N 3.21Å; L255-F259 PolarHBondContact O-N 3.32Å; L255-F303 HydrophobicContact CB-CD2 4.12Å; L255-F303 HydrophobicContact CB-CE2 3.85Å; L255-F303 HydrophobicContact CB-CZ 4.1Å; L255-F303 HydrophobicContact CD1-CD1 3.96Å; L255-F303 HydrophobicContact CD1-CD2 4.38Å; L255-F303 HydrophobicContact CD1-CE1 4.2Å; L255-F303 HydrophobicContact CD1-CG 4.05Å; L255-F303 HydrophobicContact CD2-CE1 4.38Å; L255-F303 HydrophobicContact CD2-CZ 4.38Å
256	D	98.3	Very high	98	Very high	21 Å²	21	23.1 Å²	23.1	11%	0.112	11%	0.109	C	C	.	.	H	α-helix	trans	-58.9	-33.3	175.4	-167	59.4	0	0	0	112.1	H129 I217 A252 R253 D254 I258 F259 Q260	H129-D256 IonicContact CE1-OD1 3.09Å; H129-D256 PolarHBondContact CE1-OD1 3.17Å; H129-D256 IonicContact CG-OD1 3.87Å; H129-D256 IonicContact ND1-OD1 3.87Å; H129-D256 PolarHBondContact ND1-OD1 3.41Å; I217-D256 HydrophobicContact CD1-CB 4.1Å; A252-D256 PolarHBondContact O-N 2.98Å; R253-D256 PolarHBondContact O-N 2.7Å; D254-D256 VanDerWaalsContact C-N 3.33Å; D256-I258 PolarHBondContact O-N 3.48Å; D256-I258 VanDerWaalsContact O-N 3.17Å; D256-F259 CarbonylContact O-C 3.51Å; D256-F259 WeakPolarHBondContact O-CA 3.4Å; D256-F259 WeakPolarHBondContact O-CB 3.39Å; D256-F259 PolarHBondContact O-N 3.46Å; D256-Q260 VanDerWaalsContact O-CG 3.25Å; D256-Q260 WeakPolarHBondContact O-CG 3.3Å; D256-Q260 PolarHBondContact O-N 2.61Å; D256-Q260 PolarHBondContact OD1-NE2 2.86Å; D256-Q260 WeakPolarHBondContact OD2-CG 3.39Å; D256-Q260 PolarHBondContact OD2-NE2 2.01Å
257	K	97.9	Very high	97.9	Very high	23 Å²	23	29.5 Å²	29.5	10%	0.1	14%	0.135	C	C	.	.	H	α-helix	trans	-56.7	-35.8	173.1	-63.9	171	-177	179.8	0	112.6	E80 R253 D254 L255 V261 T281	E80-K257 WeakPolarHBondContact OE1-CE 3.37Å; E80-K257 IonicContact OE1-NZ 3.82Å; E80-K257 PolarHBondContact OE1-NZ 3.49Å; E80-K257 IonicContact OE2-NZ 3.35Å; E80-K257 PolarHBondContact OE2-NZ 2.97Å; R253-K257 PolarHBondContact O-N 2.97Å; D254-K257 WeakPolarHBondContact O-CB 3.47Å; D254-K257 PolarHBondContact O-N 2.92Å; L255-K257 PolarHBondContact O-N 3.03Å; K257-V261 WeakPolarHBondContact O-CG2 2.99Å; K257-V261 PolarHBondContact O-N 3.4Å; K257-T281 VanDerWaalsContact CD-O 3.32Å; K257-T281 WeakPolarHBondContact CD-O 3.28Å; K257-T281 WeakPolarHBondContact CE-O 3.48Å; K257-T281 PolarHBondContact NZ-O 3.31Å
258	I	98.5	Very high	97.7	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-69.6	-45.5	173.4	-61.3	175.6	0	0	0	109.9	M215 L255 D256 Q260 V261 Y262 F303	M215-I258 HydrophobicContact CE-CB 4.23Å; M215-I258 HydrophobicContact CE-CG2 3.76Å; L255-I258 HydrophobicContact CD1-CD1 4.17Å; L255-I258 WeakPolarHBondContact O-CA 3.46Å; L255-I258 WeakPolarHBondContact O-CB 3.24Å; L255-I258 PolarHBondContact O-N 3.21Å; D256-I258 PolarHBondContact O-N 3.48Å; D256-I258 VanDerWaalsContact O-N 3.17Å; I258-Q260 VanDerWaalsContact C-N 3.31Å; I258-Q260 PolarHBondContact O-N 2.9Å; I258-V261 WeakPolarHBondContact O-CB 3.32Å; I258-V261 PolarHBondContact O-N 3.13Å; I258-Y262 HydrophobicContact CG2-CD2 4.19Å; I258-Y262 HydrophobicContact CG2-CE1 4.1Å; I258-Y262 HydrophobicContact CG2-CE2 3.46Å; I258-Y262 VanDerWaalsContact CG2-CE2 3.46Å; I258-Y262 VanDerWaalsContact CG2-CZ 3.41Å; I258-Y262 WeakPolarHBondContact CG2-OH 3.45Å; I258-Y262 PolarHBondContact O-N 3.04Å; I258-F303 HydrophobicContact CD1-CB 3.86Å
259	F	98.7	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.1	-45	175	178.2	-91.7	0	0	0	112	H129 T131 L168 V170 M215 I217 L255 D256 V261 Y262 W263	H129-F259 HydrophobicContact CB-CD1 3.81Å; H129-F259 HydrophobicContact CB-CD2 3.86Å; H129-F259 HydrophobicContact CB-CE1 3.67Å; H129-F259 HydrophobicContact CB-CE2 3.72Å; H129-F259 HydrophobicContact CB-CG 3.92Å; H129-F259 HydrophobicContact CB-CZ 3.63Å; H129-F259 AromaticContact CG-CD1 3.86Å; H129-F259 AromaticContact CG-CE1 3.63Å; H129-F259 AromaticContact ND1-CD1 3.72Å; H129-F259 AromaticContact ND1-CE1 3.85Å; T131-F259 HydrophobicContact CG2-CD2 3.64Å; T131-F259 HydrophobicContact CG2-CE2 4.01Å; L168-F259 HydrophobicContact CB-CE1 4.05Å; L168-F259 HydrophobicContact CB-CZ 3.73Å; L168-F259 HydrophobicContact CD1-CE1 4.31Å; L168-F259 WeakPolarHBondContact O-CZ 3.33Å; V170-F259 HydrophobicContact CB-CE2 4.38Å; V170-F259 HydrophobicContact CG2-CD2 4.43Å; V170-F259 HydrophobicContact CG2-CE2 3.76Å; V170-F259 HydrophobicContact CG2-CZ 3.85Å; M215-F259 HydrophobicContact SD-CB 4.12Å; I217-F259 HydrophobicContact CD1-CB 3.76Å; I217-F259 HydrophobicContact CD1-CG 4.34Å; L255-F259 PolarHBondContact O-N 3.32Å; D256-F259 CarbonylContact O-C 3.51Å; D256-F259 WeakPolarHBondContact O-CA 3.4Å; D256-F259 WeakPolarHBondContact O-CB 3.39Å; D256-F259 PolarHBondContact O-N 3.46Å; F259-V261 VanDerWaalsContact C-N 3.31Å; F259-V261 PolarHBondContact O-N 3.41Å; F259-Y262 CarbonylContact O-C 3.59Å; F259-Y262 WeakPolarHBondContact O-CA 3.12Å; F259-Y262 WeakPolarHBondContact O-CB 3.18Å; F259-Y262 PolarHBondContact O-N 3.17Å; F259-W263 HydrophobicContact CD1-CB 4.5Å; F259-W263 HydrophobicContact CE1-CB 4.18Å; F259-W263 HydrophobicContact CE1-CD2 4.4Å; F259-W263 HydrophobicContact CE1-CE3 4.11Å; F259-W263 HydrophobicContact CE1-CG 4.45Å; F259-W263 AromaticContact CZ-CE3 3.89Å; F259-W263 HydrophobicContact CZ-CE3 3.89Å; F259-W263 HydrophobicContact CZ-CZ3 4.48Å; F259-W263 WeakPolarHBondContact O-CB 3.46Å; F259-W263 PolarHBondContact O-N 3.01Å
260	Q	98.4	Very high	97.4	Very high	51 Å²	51	33 Å²	33	24%	0.238	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-29.3	-178.1	-62.3	-63.7	-22.3	0	0	112.6	D256 I258 H264 Y280	D256-Q260 VanDerWaalsContact O-CG 3.25Å; D256-Q260 WeakPolarHBondContact O-CG 3.3Å; D256-Q260 PolarHBondContact O-N 2.61Å; D256-Q260 PolarHBondContact OD1-NE2 2.86Å; D256-Q260 WeakPolarHBondContact OD2-CG 3.39Å; D256-Q260 PolarHBondContact OD2-NE2 2.01Å; I258-Q260 VanDerWaalsContact C-N 3.31Å; I258-Q260 PolarHBondContact O-N 2.9Å; Q260-H264 WeakPolarHBondContact O-CB 3.49Å; Q260-H264 PolarHBondContact O-N 2.94Å; Q260-Y280 HydrophobicContact CB-CD1 4.05Å; Q260-Y280 HydrophobicContact CB-CE1 3.61Å
261	V	98.4	Very high	97.3	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-48.7	168.2	162.9	0	0	0	0	109.7	K257 I258 F259 W263 H264 M265 W276 Y280 F310	K257-V261 WeakPolarHBondContact O-CG2 2.99Å; K257-V261 PolarHBondContact O-N 3.4Å; I258-V261 WeakPolarHBondContact O-CB 3.32Å; I258-V261 PolarHBondContact O-N 3.13Å; F259-V261 VanDerWaalsContact C-N 3.31Å; F259-V261 PolarHBondContact O-N 3.41Å; V261-W263 PolarHBondContact O-N 3.29Å; V261-H264 PolarHBondContact O-N 3.49Å; V261-M265 WeakPolarHBondContact O-CG 3.25Å; V261-M265 PolarHBondContact O-N 2.98Å; V261-W276 HydrophobicContact CB-CH2 4.44Å; V261-W276 HydrophobicContact CB-CZ3 4.42Å; V261-W276 HydrophobicContact CG1-CH2 3.61Å; V261-W276 HydrophobicContact CG1-CZ2 3.82Å; V261-W276 HydrophobicContact CG1-CZ3 4.06Å; V261-W276 HydrophobicContact CG2-CD2 4.42Å; V261-W276 HydrophobicContact CG2-CE3 4.09Å; V261-W276 HydrophobicContact CG2-CH2 4.44Å; V261-W276 HydrophobicContact CG2-CZ3 4.1Å; V261-Y280 HydrophobicContact CG2-CD1 3.76Å; V261-Y280 HydrophobicContact CG2-CE1 4.32Å; V261-Y280 HydrophobicContact CG2-CG 3.95Å; V261-F310 HydrophobicContact CG1-CB 4.1Å; V261-F310 HydrophobicContact CG1-CG 4.38Å
262	Y	98.5	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-41.1	178.1	-57.6	-24.3	0	0	0	112.2	T131 M200 M211 T213 M215 I258 F259 H264 M265 G266 S305 F310 A454 G455	T131-Y262 HydrophobicContact CG2-CD2 4.11Å; M200-Y262 HydrophobicContact CE-CD1 4.07Å; M200-Y262 HydrophobicContact SD-CD1 4.06Å; M200-Y262 HydrophobicContact SD-CG 4.02Å; M211-Y262 HydrophobicContact CE-CD2 3.36Å; M211-Y262 HydrophobicContact CE-CE2 3.46Å; M211-Y262 VanDerWaalsContact CE-CE2 3.46Å; M211-Y262 HydrophobicContact CE-CG 4.03Å; M211-Y262 HydrophobicContact SD-CD2 4.18Å; M211-Y262 HydrophobicContact SD-CE2 4.25Å; M211-Y262 HydrophobicContact SD-CG 4.34Å; T213-Y262 HydrophobicContact CG2-CE2 4.27Å; T213-Y262 PolarHBondContact OG1-OH 2.95Å; T213-Y262 VanDerWaalsContact OG1-OH 3.14Å; M215-Y262 HydrophobicContact CE-CE2 3.95Å; I258-Y262 HydrophobicContact CG2-CD2 4.19Å; I258-Y262 HydrophobicContact CG2-CE1 4.1Å; I258-Y262 HydrophobicContact CG2-CE2 3.46Å; I258-Y262 VanDerWaalsContact CG2-CE2 3.46Å; I258-Y262 VanDerWaalsContact CG2-CZ 3.41Å; I258-Y262 WeakPolarHBondContact CG2-OH 3.45Å; I258-Y262 PolarHBondContact O-N 3.04Å; F259-Y262 CarbonylContact O-C 3.59Å; F259-Y262 WeakPolarHBondContact O-CA 3.12Å; F259-Y262 WeakPolarHBondContact O-CB 3.18Å; F259-Y262 PolarHBondContact O-N 3.17Å; Y262-H264 VanDerWaalsContact C-N 3.32Å; Y262-H264 PolarHBondContact O-N 3.33Å; Y262-M265 PolarHBondContact O-N 2.93Å; Y262-G266 PolarHBondContact O-N 2.81Å; Y262-S305 PolarHBondContact OH-OG 3.32Å; Y262-F310 HydrophobicContact CD1-CD2 4.24Å; Y262-F310 AromaticContact CE1-CD2 3.85Å; Y262-F310 HydrophobicContact CE1-CD2 3.85Å; Y262-A454 HydrophobicContact CE1-CB 4.03Å; Y262-G455 PolarHBondContact OH-O 3.24Å
263	W	98.4	Very high	97	Very high	34 Å²	34	41.6 Å²	41.6	13%	0.129	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-46.6	175.2	-172.3	-111	0	0	0	110.6	L168 V170 D196 R198 F259 V261 G266	L168-W263 HydrophobicContact CB-CE3 4.15Å; L168-W263 HydrophobicContact CB-CH2 3.93Å; L168-W263 HydrophobicContact CB-CZ3 3.71Å; L168-W263 HydrophobicContact CD1-CH2 4.45Å; L168-W263 HydrophobicContact CD1-CZ2 4.24Å; L168-W263 HydrophobicContact CD2-CH2 3.73Å; L168-W263 HydrophobicContact CD2-CZ2 3.89Å; L168-W263 HydrophobicContact CD2-CZ3 4.4Å; L168-W263 HydrophobicContact CG-CH2 4.24Å; L168-W263 HydrophobicContact CG-CZ2 4.45Å; L168-W263 HydrophobicContact CG-CZ3 4.47Å; V170-W263 HydrophobicContact CG2-CB 4.22Å; V170-W263 HydrophobicContact CG2-CD2 4.49Å; V170-W263 HydrophobicContact CG2-CE3 3.57Å; V170-W263 HydrophobicContact CG2-CZ3 4.32Å; D196-W263 HydrophobicContact CB-CH2 3.69Å; D196-W263 HydrophobicContact CB-CZ2 4.29Å; D196-W263 WeakPolarHBondContact O-CH2 3.43Å; R198-W263 HydrophobicContact CB-CE3 4.33Å; R198-W263 HydrophobicContact CB-CZ3 4.26Å; R198-W263 WeakPolarHBondContact CD-O 3.37Å; R198-W263 HydrophobicContact CG-CD2 4.36Å; R198-W263 HydrophobicContact CG-CE3 4.1Å; R198-W263 HydrophobicContact CG-CH2 4.01Å; R198-W263 HydrophobicContact CG-CZ2 4.32Å; R198-W263 HydrophobicContact CG-CZ3 3.9Å; R198-W263 VanDerWaalsContact CZ-CE2 3.46Å; R198-W263 VanDerWaalsContact CZ-NE1 3.28Å; R198-W263 VanDerWaalsContact NE-CE2 3.33Å; R198-W263 PolarHBondContact NH1-O 3.05Å; F259-W263 HydrophobicContact CD1-CB 4.5Å; F259-W263 HydrophobicContact CE1-CB 4.18Å; F259-W263 HydrophobicContact CE1-CD2 4.4Å; F259-W263 HydrophobicContact CE1-CE3 4.11Å; F259-W263 HydrophobicContact CE1-CG 4.45Å; F259-W263 AromaticContact CZ-CE3 3.89Å; F259-W263 HydrophobicContact CZ-CE3 3.89Å; F259-W263 HydrophobicContact CZ-CZ3 4.48Å; F259-W263 WeakPolarHBondContact O-CB 3.46Å; F259-W263 PolarHBondContact O-N 3.01Å; V261-W263 PolarHBondContact O-N 3.29Å; W263-G266 PolarHBondContact O-N 3.32Å
264	H	97.8	Very high	96.8	Very high	68 Å²	68	46 Å²	46	32%	0.315	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-48.4	176.2	179.7	70.9	0	0	0	112.5	Q260 V261 Y262 G266 Y267 T270 W276	Q260-H264 WeakPolarHBondContact O-CB 3.49Å; Q260-H264 PolarHBondContact O-N 2.94Å; V261-H264 PolarHBondContact O-N 3.49Å; Y262-H264 VanDerWaalsContact C-N 3.32Å; Y262-H264 PolarHBondContact O-N 3.33Å; H264-G266 VanDerWaalsContact C-N 3.29Å; H264-G266 PolarHBondContact O-N 2.84Å; H264-Y267 WeakPolarHBondContact O-CB 3.37Å; H264-Y267 PolarHBondContact O-N 3.23Å; H264-T270 PolarHBondContact O-OG1 3.27Å; H264-W276 AromaticContact CD2-CZ3 3.85Å
265	M	97.6	Very high	96.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-26.6	-179.4	-67.6	-54.5	-56.5	0	0	113.4	M200 W205 V261 Y262 Y267 T270 L272 W276 F310	M200-M265 HydrophobicContact CE-CB 3.69Å; M200-M265 HydrophobicContact CE-CG 4.44Å; W205-M265 HydrophobicContact CD2-CE 3.77Å; W205-M265 HydrophobicContact CE3-CE 4.23Å; W205-M265 HydrophobicContact CG-CE 4.33Å; W205-M265 HydrophobicContact CH2-CB 4Å; W205-M265 HydrophobicContact CH2-CE 3.98Å; W205-M265 VanDerWaalsContact CH2-O 3.27Å; W205-M265 WeakPolarHBondContact CH2-O 3.42Å; W205-M265 HydrophobicContact CZ2-CB 4.35Å; W205-M265 HydrophobicContact CZ2-CE 3.46Å; W205-M265 VanDerWaalsContact CZ2-CE 3.46Å; W205-M265 VanDerWaalsContact CZ2-O 3.28Å; W205-M265 WeakPolarHBondContact CZ2-O 3.16Å; W205-M265 HydrophobicContact CZ3-CE 4.34Å; V261-M265 WeakPolarHBondContact O-CG 3.25Å; V261-M265 PolarHBondContact O-N 2.98Å; Y262-M265 PolarHBondContact O-N 2.93Å; M265-Y267 PolarHBondContact O-N 2.95Å; M265-T270 HydrophobicContact CE-CG2 4.06Å; M265-T270 HydrophobicContact SD-CG2 3.72Å; M265-L272 HydrophobicContact CE-CD2 4Å; M265-L272 HydrophobicContact CE-CG 4.26Å; M265-L272 HydrophobicContact SD-CD2 4.49Å; M265-W276 HydrophobicContact CG-CH2 3.74Å; M265-W276 HydrophobicContact CG-CZ2 4.49Å; M265-W276 HydrophobicContact SD-CH2 3.6Å; M265-W276 HydrophobicContact SD-CZ2 4.29Å; M265-F310 HydrophobicContact CE-CE1 4.09Å; M265-F310 HydrophobicContact CG-CD1 4.43Å; M265-F310 HydrophobicContact CG-CE1 3.92Å; M265-F310 HydrophobicContact CG-CZ 4.3Å; M265-F310 HydrophobicContact SD-CE1 4.4Å
266	G	97.3	Very high	96.4	Very high	5 Å²	5	52.8 Å²	52.8	5%	0.052	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.8	175.4	0	0	0	0	0	114.2	Y262 W263 H264	Y262-G266 PolarHBondContact O-N 2.81Å; W263-G266 PolarHBondContact O-N 3.32Å; H264-G266 VanDerWaalsContact C-N 3.29Å; H264-G266 PolarHBondContact O-N 2.84Å
267	Y	96.4	Very high	96.1	Very high	136 Å²	136	54.5 Å²	54.5	53%	0.533	31%	0.307	S	S	.	.	S	Bend	trans	-74.1	134.2	171.9	-168.8	-94.2	0	0	0	110.6	H264 M265 G269 T270	H264-Y267 WeakPolarHBondContact O-CB 3.37Å; H264-Y267 PolarHBondContact O-N 3.23Å; M265-Y267 PolarHBondContact O-N 2.95Å; Y267-G269 PolarHBondContact O-N 2.76Å; Y267-T270 WeakPolarHBondContact O-CB 3.49Å; Y267-T270 PolarHBondContact O-N 3.5Å; Y267-T270 PolarHBondContact O-OG1 3.14Å
268	P	92.5	Very high	95.7	Very high	108 Å²	108	57 Å²	57	70%	0.701	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	133.1	-177.6	-26.8	35.3	0	0	0	113.2	T270	P268-T270 VanDerWaalsContact C-N 3.31Å; P268-T270 PolarHBondContact O-N 2.87Å
269	G	93.4	Very high	95.4	Very high	87 Å²	87	64 Å²	64	90%	0.897	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	2.3	177	0	0	0	0	0	115.4	Y267 S271	Y267-G269 PolarHBondContact O-N 2.76Å; G269-S271 PolarHBondContact O-N 3.23Å
270	T	95.9	Very high	95.2	Very high	22 Å²	22	64.5 Å²	64.5	14%	0.135	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-64.1	129.7	176.3	-60.8	0	0	0	0	111.5	W205 H264 M265 Y267 P268	W205-T270 PolarHBondContact NE1-O 3.45Å; H264-T270 PolarHBondContact O-OG1 3.27Å; M265-T270 HydrophobicContact CE-CG2 4.06Å; M265-T270 HydrophobicContact SD-CG2 3.72Å; Y267-T270 WeakPolarHBondContact O-CB 3.49Å; Y267-T270 PolarHBondContact O-N 3.5Å; Y267-T270 PolarHBondContact O-OG1 3.14Å; P268-T270 VanDerWaalsContact C-N 3.31Å; P268-T270 PolarHBondContact O-N 2.87Å
271	S	95.1	Very high	95	Very high	91 Å²	91	62.9 Å²	62.9	64%	0.636	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-97.5	150.8	170.2	60.1	0	0	0	0	111.1	G269	G269-S271 PolarHBondContact O-N 3.23Å
272	L	95.2	Very high	94.8	Very high	52 Å²	52	62.7 Å²	62.7	27%	0.272	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-55.6	123.1	172.2	-81.4	171.5	0	0	0	111.4	W205 F206 M265 Q309 F310	W205-L272 HydrophobicContact CB-CD1 3.83Å; W205-L272 HydrophobicContact CB-CG 4.14Å; W205-L272 HydrophobicContact CG-CD1 4.39Å; W205-L272 HydrophobicContact CG-CG 4.16Å; F206-L272 HydrophobicContact CD1-CD1 4.43Å; F206-L272 HydrophobicContact CE1-CD1 3.61Å; F206-L272 HydrophobicContact CZ-CD1 3.91Å; F206-L272 HydrophobicContact CZ-CD2 4.27Å; M265-L272 HydrophobicContact CE-CD2 4Å; M265-L272 HydrophobicContact CE-CG 4.26Å; M265-L272 HydrophobicContact SD-CD2 4.49Å; L272-Q309 HydrophobicContact CD1-CB 4.27Å; L272-Q309 HydrophobicContact CD1-CG 4.45Å; L272-Q309 HydrophobicContact CD2-CB 4.06Å; L272-F310 HydrophobicContact CD2-CD1 3.8Å; L272-F310 HydrophobicContact CD2-CE1 3.49Å; L272-F310 VanDerWaalsContact CD2-CE1 3.49Å
273	P	94.8	Very high	94.5	Very high	40 Å²	40	64.1 Å²	64.1	26%	0.26	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-71.8	149.4	174.6	30.9	-34.3	0	0	0	110.4	V275 W276	P273-V275 VanDerWaalsContact C-N 3.31Å; P273-W276 HydrophobicContact CG-CD2 3.72Å; P273-W276 HydrophobicContact CG-CE3 3.82Å; P273-W276 HydrophobicContact CG-CG 4.37Å; P273-W276 HydrophobicContact CG-CH2 3.85Å; P273-W276 HydrophobicContact CG-CZ2 3.77Å; P273-W276 HydrophobicContact CG-CZ3 3.89Å
274	K	93.5	Very high	94.4	Very high	218 Å²	218	62.5 Å²	62.5	95%	0.948	35%	0.351	S	S	*	.	S	Bend	trans	-68.4	-34.8	170.9	-67.3	-175	-179.7	179.3	0	111.9
275	V	93.2	Very high	94.4	Very high	122 Å²	122	60.5 Å²	60.5	74%	0.739	34%	0.342	S	S	*	.	S	Bend	trans	-139.2	130.6	179.3	-177.9	0	0	0	0	107.9	P273	P273-V275 VanDerWaalsContact C-N 3.31Å
276	W	95	Very high	94.3	Very high	21 Å²	21	63.7 Å²	63.7	8%	0.08	36%	0.356	C	S	.	.			trans	-72.8	138	176.5	-73.7	100.3	0	0	0	111.3	V261 H264 M265 P273 Y280 Q309 F310	V261-W276 HydrophobicContact CB-CH2 4.44Å; V261-W276 HydrophobicContact CB-CZ3 4.42Å; V261-W276 HydrophobicContact CG1-CH2 3.61Å; V261-W276 HydrophobicContact CG1-CZ2 3.82Å; V261-W276 HydrophobicContact CG1-CZ3 4.06Å; V261-W276 HydrophobicContact CG2-CD2 4.42Å; V261-W276 HydrophobicContact CG2-CE3 4.09Å; V261-W276 HydrophobicContact CG2-CH2 4.44Å; V261-W276 HydrophobicContact CG2-CZ3 4.1Å; H264-W276 AromaticContact CD2-CZ3 3.85Å; M265-W276 HydrophobicContact CG-CH2 3.74Å; M265-W276 HydrophobicContact CG-CZ2 4.49Å; M265-W276 HydrophobicContact SD-CH2 3.6Å; M265-W276 HydrophobicContact SD-CZ2 4.29Å; P273-W276 HydrophobicContact CG-CD2 3.72Å; P273-W276 HydrophobicContact CG-CE3 3.82Å; P273-W276 HydrophobicContact CG-CG 4.37Å; P273-W276 HydrophobicContact CG-CH2 3.85Å; P273-W276 HydrophobicContact CG-CZ2 3.77Å; P273-W276 HydrophobicContact CG-CZ3 3.89Å; W276-Y280 HydrophobicContact CB-CD2 4.48Å; W276-Y280 AromaticContact CE3-CD2 3.79Å; W276-Y280 HydrophobicContact CE3-CD2 3.79Å; W276-Y280 HydrophobicContact CE3-CE2 4Å; W276-Y280 HydrophobicContact CE3-CG 4.39Å; W276-Y280 HydrophobicContact CZ3-CE2 4.37Å; W276-Q309 PolarHBondContact NE1-O 3.14Å; W276-F310 HydrophobicContact CZ2-CD1 4.19Å
277	P	92.2	Very high	94.2	Very high	57 Å²	57	68.6 Å²	68.6	37%	0.37	39%	0.39	S	S	.	.			trans	-53.4	147.7	173.9	-30.2	35.2	0	0	0	113.5	K279 Y280	P277-K279 HydrophobicContact CB-CG 4.26Å; P277-K279 PolarHBondContact O-N 3.21Å; P277-Y280 HydrophobicContact CB-CD2 3.93Å; P277-Y280 HydrophobicContact CB-CE2 4Å; P277-Y280 HydrophobicContact CG-CD2 4.09Å; P277-Y280 HydrophobicContact CG-CE2 3.85Å; P277-Y280 PolarHBondContact O-N 3.18Å
278	P	89.7	Confident	94.2	Very high	76 Å²	76	64.5 Å²	64.5	49%	0.494	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-51.6	-35.5	-176.4	-30.3	35.8	0	0	0	114.7	D69 Y280 T281	D69-P278 HydrophobicContact CB-CG 4.43Å; P278-Y280 PolarHBondContact O-N 2.88Å; P278-T281 WeakPolarHBondContact O-CB 3.39Å; P278-T281 PolarHBondContact O-N 2.6Å; P278-T281 PolarHBondContact O-OG1 3.32Å
279	K	91.1	Very high	94.4	Very high	152 Å²	152	60 Å²	60	66%	0.661	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-57.1	-21.6	178.8	70.5	-179.9	-173.7	175.3	0	115.4	P277	P277-K279 HydrophobicContact CB-CG 4.26Å; P277-K279 PolarHBondContact O-N 3.21Å
280	Y	94.6	Very high	94.6	Very high	11 Å²	11	55.8 Å²	55.8	4%	0.043	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-89.9	-7.8	176.9	-58.4	-66.4	0	0	0	112.8	Q260 V261 W276 P277 P278 T282 S312	Q260-Y280 HydrophobicContact CB-CD1 4.05Å; Q260-Y280 HydrophobicContact CB-CE1 3.61Å; V261-Y280 HydrophobicContact CG2-CD1 3.76Å; V261-Y280 HydrophobicContact CG2-CE1 4.32Å; V261-Y280 HydrophobicContact CG2-CG 3.95Å; W276-Y280 HydrophobicContact CB-CD2 4.48Å; W276-Y280 AromaticContact CE3-CD2 3.79Å; W276-Y280 HydrophobicContact CE3-CD2 3.79Å; W276-Y280 HydrophobicContact CE3-CE2 4Å; W276-Y280 HydrophobicContact CE3-CG 4.39Å; W276-Y280 HydrophobicContact CZ3-CE2 4.37Å; P277-Y280 HydrophobicContact CB-CD2 3.93Å; P277-Y280 HydrophobicContact CB-CE2 4Å; P277-Y280 HydrophobicContact CG-CD2 4.09Å; P277-Y280 HydrophobicContact CG-CE2 3.85Å; P277-Y280 PolarHBondContact O-N 3.18Å; P278-Y280 PolarHBondContact O-N 2.88Å; Y280-T282 PolarHBondContact O-N 3.21Å; Y280-S312 WeakPolarHBondContact O-CB 3.35Å; Y280-S312 PolarHBondContact O-OG 3.32Å
281	T	93.8	Very high	94.6	Very high	16 Å²	16	61.7 Å²	61.7	10%	0.098	33%	0.325	C	S	.	.			trans	-64.9	133.4	-176	-58.6	0	0	0	0	110.5	K257 P278 F283 R313	K257-T281 VanDerWaalsContact CD-O 3.32Å; K257-T281 WeakPolarHBondContact CD-O 3.28Å; K257-T281 WeakPolarHBondContact CE-O 3.48Å; K257-T281 PolarHBondContact NZ-O 3.31Å; P278-T281 WeakPolarHBondContact O-CB 3.39Å; P278-T281 PolarHBondContact O-N 2.6Å; P278-T281 PolarHBondContact O-OG1 3.32Å; T281-F283 HydrophobicContact CG2-CE1 4.14Å; T281-F283 HydrophobicContact CG2-CZ 4.3Å; T281-R313 HydrophobicContact CG2-CB 3.91Å; T281-R313 HydrophobicContact CG2-CG 4.2Å
282	T	94.8	Very high	94.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.			trans	-103.2	163.2	165.5	-175.3	0	0	0	0	109.8	D254 Y280 F284 R313 N314 R315	D254-T282 WeakPolarHBondContact OD1-CB 3.37Å; D254-T282 PolarHBondContact OD1-OG1 3.39Å; Y280-T282 PolarHBondContact O-N 3.21Å; T282-F284 PolarHBondContact OG1-N 3.46Å; T282-R313 PolarHBondContact N-O 2.83Å; T282-N314 HydrophobicContact CG2-CB 4.48Å; T282-N314 VanDerWaalsContact O-CB 3.31Å; T282-N314 WeakPolarHBondContact O-CB 3.17Å; T282-N314 PolarHBondContact O-ND2 2.81Å; T282-R315 HydrophobicContact CG2-CB 3.86Å
283	F	92.8	Very high	94.7	Very high	29 Å²	29	59 Å²	59	13%	0.127	30%	0.301	C	S	.	.			trans	-114.2	-1.5	167.2	-52.4	-76	0	0	0	112.2	G73 W77 E80 T281 N288	G73-F283 WeakPolarHBondContact O-CE1 3.49Å; G73-F283 WeakPolarHBondContact O-CZ 3.37Å; W77-F283 VanDerWaalsContact CA-CD2 3.46Å; W77-F283 HydrophobicContact CB-CB 4.36Å; W77-F283 HydrophobicContact CB-CD1 3.62Å; W77-F283 HydrophobicContact CB-CD2 3.66Å; W77-F283 HydrophobicContact CB-CE1 3.73Å; W77-F283 HydrophobicContact CB-CE2 3.76Å; W77-F283 HydrophobicContact CB-CG 3.59Å; W77-F283 HydrophobicContact CB-CZ 3.8Å; W77-F283 AromaticContact CD1-CD1 3.91Å; W77-F283 AromaticContact CD1-CD2 3.96Å; W77-F283 AromaticContact CD1-CG 3.4Å; W77-F283 VanDerWaalsContact CD1-CG 3.4Å; W77-F283 HydrophobicContact CG-CB 4.01Å; W77-F283 AromaticContact CG-CD1 3.88Å; W77-F283 HydrophobicContact CG-CD1 3.88Å; W77-F283 HydrophobicContact CG-CD2 4.21Å; W77-F283 HydrophobicContact CG-CE1 4.44Å; W77-F283 AromaticContact CG-CG 3.75Å; W77-F283 HydrophobicContact CG-CG 3.75Å; E80-F283 WeakPolarHBondContact OE2-CD2 3.06Å; T281-F283 HydrophobicContact CG2-CE1 4.14Å; T281-F283 HydrophobicContact CG2-CZ 4.3Å; F283-N288 PolarHBondContact O-ND2 3.45Å
284	F	96	Very high	94.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.			trans	-94.3	121.9	-179.8	-54.5	-44.1	0	0	0	110.8	E80 Q81 D254 T282 N288 A290	E80-F284 HydrophobicContact CB-CZ 4.15Å; Q81-F284 HydrophobicContact CG-CE1 4.03Å; D254-F284 HydrophobicContact CB-CD2 3.93Å; D254-F284 HydrophobicContact CB-CE2 4.22Å; T282-F284 PolarHBondContact OG1-N 3.46Å; F284-N288 VanDerWaalsContact CA-O 3.32Å; F284-N288 WeakPolarHBondContact CA-O 3.25Å; F284-A290 HydrophobicContact CD1-CB 3.78Å; F284-A290 HydrophobicContact CD2-CB 4.07Å; F284-A290 HydrophobicContact CE1-CB 3.81Å; F284-A290 HydrophobicContact CE2-CB 4.11Å; F284-A290 HydrophobicContact CG-CB 3.93Å; F284-A290 HydrophobicContact CZ-CB 3.99Å
285	N	97.2	Very high	94.9	Very high	26 Å²	26	49.1 Å²	49.1	14%	0.139	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-155.5	-174.7	173.4	58.2	54.1	0	0	0	109	S287 N288 P289 N314 Q316	N285-S287 VanDerWaalsContact C-N 3.31Å; N285-S287 PolarHBondContact O-N 3.29Å; N285-S287 WeakPolarHBondContact OD1-CA 3.35Å; N285-S287 PolarHBondContact OD1-N 3.04Å; N285-N288 PolarHBondContact N-O 3.07Å; N285-N288 CarbonylContact O-C 3.56Å; N285-N288 PolarHBondContact O-N 3.04Å; N285-N288 PolarHBondContact OD1-N 2.82Å; N285-P289 VanDerWaalsContact O-CA 3.27Å; N285-P289 WeakPolarHBondContact O-CA 3.48Å; N285-N314 WeakPolarHBondContact CB-O 3.09Å; N285-Q316 HydrophobicContact CB-CB 4.42Å
286	F	96.3	Very high	94.9	Very high	68 Å²	68	43.7 Å²	43.7	30%	0.298	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-40.2	179.8	172.2	-106.6	0	0	0	114.2	Y302 E324	F286-Y302 HydrophobicContact CB-CE1 4.18Å; F286-Y302 HydrophobicContact CD2-CE1 4.41Å; F286-E324 HydrophobicContact CB-CG 4.39Å; F286-E324 HydrophobicContact CD1-CG 3.7Å; F286-E324 HydrophobicContact CD2-CG 3.39Å; F286-E324 VanDerWaalsContact CE1-CD 3.4Å; F286-E324 HydrophobicContact CE1-CG 3.69Å; F286-E324 WeakPolarHBondContact CE1-OE1 3.49Å; F286-E324 HydrophobicContact CE2-CG 3.38Å; F286-E324 HydrophobicContact CG-CG 3.54Å; F286-E324 HydrophobicContact CZ-CG 3.53Å; F286-E324 WeakPolarHBondContact CZ-OE1 3.43Å
287	S	96.1	Very high	94.9	Very high	108 Å²	108	42.7 Å²	42.7	76%	0.755	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-22.1	-179.1	-56.5	0	0	0	0	113.2	N285	N285-S287 VanDerWaalsContact C-N 3.31Å; N285-S287 PolarHBondContact O-N 3.29Å; N285-S287 WeakPolarHBondContact OD1-CA 3.35Å; N285-S287 PolarHBondContact OD1-N 3.04Å
288	N	95.4	Very high	95	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.273	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-140.5	68	-178.8	-171.5	49.5	0	0	0	110.6	W77 Q81 F283 F284 N285	W77-N288 PolarHBondContact NE1-ND2 2.88Å; Q81-N288 VanDerWaalsContact NE2-CG 3.31Å; Q81-N288 PolarHBondContact NE2-ND2 2.9Å; Q81-N288 VanDerWaalsContact NE2-ND2 3.11Å; Q81-N288 PolarHBondContact NE2-OD1 3.39Å; F283-N288 PolarHBondContact O-ND2 3.45Å; F284-N288 VanDerWaalsContact CA-O 3.32Å; F284-N288 WeakPolarHBondContact CA-O 3.25Å; N285-N288 PolarHBondContact N-O 3.07Å; N285-N288 CarbonylContact O-C 3.56Å; N285-N288 PolarHBondContact O-N 3.04Å; N285-N288 PolarHBondContact OD1-N 2.82Å
289	P	96.7	Very high	95.3	Very high	12 Å²	12	39.3 Å²	39.3	8%	0.078	20%	0.199	C	C	.	.			trans	-71.5	158.3	-176.4	30	-35.4	0	0	0	111.2	N285 R291 E300 Y302	N285-P289 VanDerWaalsContact O-CA 3.27Å; N285-P289 WeakPolarHBondContact O-CA 3.48Å; P289-R291 PolarHBondContact O-N 3.13Å; P289-E300 HydrophobicContact CB-CB 3.87Å; P289-E300 HydrophobicContact CB-CG 4.44Å; P289-E300 HydrophobicContact CG-CB 3.69Å; P289-E300 HydrophobicContact CG-CG 3.8Å; P289-Y302 HydrophobicContact CB-CD1 4.28Å
290	A	97.3	Very high	95.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	126.4	164.9	0	0	0	0	0	109	C84 L251 F284 L292 E300 V301	C84-A290 HydrophobicContact CB-CB 4.44Å; C84-A290 VanDerWaalsContact SG-CB 3.51Å; L251-A290 HydrophobicContact CD2-CB 3.73Å; F284-A290 HydrophobicContact CD1-CB 3.78Å; F284-A290 HydrophobicContact CD2-CB 4.07Å; F284-A290 HydrophobicContact CE1-CB 3.81Å; F284-A290 HydrophobicContact CE2-CB 4.11Å; F284-A290 HydrophobicContact CG-CB 3.93Å; F284-A290 HydrophobicContact CZ-CB 3.99Å; A290-L292 HydrophobicContact CB-CD2 4.05Å; A290-E300 CarbonylContact O-C 3.53Å; A290-E300 WeakPolarHBondContact O-CA 3.23Å; A290-V301 VanDerWaalsContact CB-O 3.25Å; A290-V301 WeakPolarHBondContact CB-O 3.29Å; A290-V301 PolarHBondContact N-O 3.02Å; A290-V301 PolarHBondContact O-N 2.72Å
291	R	96.5	Very high	95.8	Very high	146 Å²	146	33.2 Å²	33.2	55%	0.551	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105	121.6	176	-72.8	177.4	175.6	165	3.4	108.8	C84 L85 P289 E300	C84-R291 CarbonylContact C-O 3.59Å; L85-R291 VanDerWaalsContact CA-O 3.3Å; L85-R291 WeakPolarHBondContact CA-O 3.44Å; L85-R291 HydrophobicContact CD2-CB 3.68Å; L85-R291 PolarHBondContact N-O 2.87Å; P289-R291 PolarHBondContact O-N 3.13Å; R291-E300 HydrophobicContact CG-CG 4.08Å; R291-E300 IonicContact CZ-OE1 2.64Å; R291-E300 IonicContact NE-OE1 2.7Å; R291-E300 PolarHBondContact NE-OE1 3.46Å; R291-E300 IonicContact NH2-OE1 3.47Å; R291-E300 PolarHBondContact NH2-OE1 3.19Å
292	L	96.9	Very high	96	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	-180	-176.8	66.3	158.2	0	0	0	110	C84 C89 L251 A290 L294 S299 V301	C84-L292 WeakPolarHBondContact O-CB 3.32Å; C89-L292 HydrophobicContact CB-CD1 4.36Å; C89-L292 VanDerWaalsContact SG-CD1 3.5Å; L251-L292 HydrophobicContact CD1-CD1 3.73Å; L251-L292 HydrophobicContact CD1-CD2 4.08Å; L251-L292 HydrophobicContact CG-CD1 4.29Å; A290-L292 HydrophobicContact CB-CD2 4.05Å; L292-L294 HydrophobicContact CD1-CD2 3.77Å; L292-L294 HydrophobicContact CG-CD2 4.28Å; L292-S299 PolarHBondContact N-O 3.39Å; L292-S299 VanDerWaalsContact N-O 3.13Å; L292-S299 PolarHBondContact O-N 3.43Å; L292-V301 HydrophobicContact CD2-CB 4.09Å; L292-V301 HydrophobicContact CD2-CG2 3.87Å
293	Q	95.6	Very high	96.2	Very high	78 Å²	78	32.9 Å²	32.9	36%	0.364	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.8	168.1	-67.8	176.2	86.1	0	0	110.5	Q87 D88 C89 G296 V297	Q87-Q293 PolarHBondContact O-N 2.84Å; D88-Q293 WeakPolarHBondContact CA-O 3.21Å; D88-Q293 HydrophobicContact CB-CB 3.91Å; D88-Q293 WeakPolarHBondContact OD1-CB 3.4Å; C89-Q293 PolarHBondContact N-O 3.17Å; Q293-G296 PolarHBondContact OE1-O 2.98Å; Q293-V297 WeakPolarHBondContact CA-O 3.38Å
294	L	96.6	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.4	169.1	-61.4	-175.5	0	0	0	107.4	C89 A91 F243 L245 L292 G296 V297 V301 I460 I476	C89-L294 HydrophobicContact CB-CD2 3.91Å; A91-L294 HydrophobicContact CB-CB 3.92Å; A91-L294 HydrophobicContact CB-CD1 4.41Å; A91-L294 HydrophobicContact CB-CD2 4.19Å; A91-L294 HydrophobicContact CB-CG 4.4Å; F243-L294 HydrophobicContact CZ-CD1 4.08Å; L245-L294 HydrophobicContact CD2-CD2 3.57Å; L292-L294 HydrophobicContact CD1-CD2 3.77Å; L292-L294 HydrophobicContact CG-CD2 4.28Å; L294-G296 PolarHBondContact O-N 3.06Å; L294-V297 PolarHBondContact N-O 3.1Å; L294-V297 WeakPolarHBondContact O-CB 3.49Å; L294-V297 PolarHBondContact O-N 2.83Å; L294-V301 HydrophobicContact CD1-CG2 4.05Å; L294-I460 HydrophobicContact CD1-CG2 3.92Å; L294-I476 HydrophobicContact CD1-CG1 4.4Å
295	N	95.1	Very high	96.6	Very high	50 Å²	50	31.6 Å²	31.6	27%	0.267	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.1	-172.4	-53.5	-39.6	0	0	0	112.5	D88 C89 R90 A91 V297 E474	D88-N295 PolarHBondContact OD1-N 3.32Å; C89-N295 PolarHBondContact O-N 2.78Å; R90-N295 WeakPolarHBondContact CA-OD1 3.4Å; A91-N295 PolarHBondContact N-OD1 3.3Å; A91-N295 PolarHBondContact O-ND2 3.43Å; N295-V297 PolarHBondContact O-N 2.75Å; N295-E474 HydrophobicContact CB-CB 4.24Å
296	G	92.9	Very high	96.7	Very high	7 Å²	7	30.4 Å²	30.4	7%	0.072	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	8.4	-176.5	0	0	0	0	0	115.2	D88 Q293 L294 R471	D88-G296 PolarHBondContact OD1-N 3.19Å; D88-G296 WeakPolarHBondContact OD2-CA 3.33Å; D88-G296 PolarHBondContact OD2-N 3.27Å; Q293-G296 PolarHBondContact OE1-O 2.98Å; L294-G296 PolarHBondContact O-N 3.06Å; G296-R471 PolarHBondContact O-NH1 3.4Å
297	V	94.7	Very high	96.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.9	175.1	-176.8	0	0	0	0	109.6	Q293 L294 N295 S299 Q462 I467 E474	Q293-V297 WeakPolarHBondContact CA-O 3.38Å; L294-V297 PolarHBondContact N-O 3.1Å; L294-V297 WeakPolarHBondContact O-CB 3.49Å; L294-V297 PolarHBondContact O-N 2.83Å; N295-V297 PolarHBondContact O-N 2.75Å; V297-S299 PolarHBondContact O-N 3.12Å; V297-S299 PolarHBondContact O-OG 2.92Å; V297-Q462 HydrophobicContact CG1-CG 4.3Å; V297-I467 HydrophobicContact CG1-CD1 4.05Å; V297-I467 HydrophobicContact CG1-CG1 4.01Å; V297-E474 HydrophobicContact CG2-CB 3.97Å
298	P	94.7	Very high	96.8	Very high	56 Å²	56	29.6 Å²	29.6	36%	0.364	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	125.3	174	-25.7	34.8	0	0	0	111.3
299	S	96.7	Very high	96.9	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.035	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.6	-170.7	-56.5	0	0	0	0	111.3	L292 V297 Q462	L292-S299 PolarHBondContact N-O 3.39Å; L292-S299 VanDerWaalsContact N-O 3.13Å; L292-S299 PolarHBondContact O-N 3.43Å; V297-S299 PolarHBondContact O-N 3.12Å; V297-S299 PolarHBondContact O-OG 2.92Å; S299-Q462 WeakPolarHBondContact OG-CG 3.27Å; S299-Q462 PolarHBondContact OG-NE2 2.98Å
300	E	97.4	Very high	96.9	Very high	36 Å²	36	31.1 Å²	31.1	17%	0.168	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.4	170	-72.8	-178	146.2	0	0	108.3	P289 A290 R291 R461	P289-E300 HydrophobicContact CB-CB 3.87Å; P289-E300 HydrophobicContact CB-CG 4.44Å; P289-E300 HydrophobicContact CG-CB 3.69Å; P289-E300 HydrophobicContact CG-CG 3.8Å; A290-E300 CarbonylContact O-C 3.53Å; A290-E300 WeakPolarHBondContact O-CA 3.23Å; R291-E300 HydrophobicContact CG-CG 4.08Å; R291-E300 IonicContact CZ-OE1 2.64Å; R291-E300 IonicContact NE-OE1 2.7Å; R291-E300 PolarHBondContact NE-OE1 3.46Å; R291-E300 IonicContact NH2-OE1 3.47Å; R291-E300 PolarHBondContact NH2-OE1 3.19Å; E300-R461 HydrophobicContact CB-CB 4.16Å; E300-R461 PolarHBondContact N-O 3.24Å; E300-R461 PolarHBondContact O-N 3.05Å; E300-R461 WeakPolarHBondContact OE2-CD 3.29Å; E300-R461 IonicContact OE2-CZ 3.26Å; E300-R461 IonicContact OE2-NE 3.31Å; E300-R461 PolarHBondContact OE2-NE 2.97Å; E300-R461 IonicContact OE2-NH2 3.51Å
301	V	98.4	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.4	-172.7	-172.9	0	0	0	0	111.2	L251 A290 L292 L294 V458 V459 I460	L251-V301 HydrophobicContact CD1-CB 3.99Å; L251-V301 HydrophobicContact CD1-CG1 3.75Å; L251-V301 HydrophobicContact CD1-CG2 4.33Å; L251-V301 HydrophobicContact CD2-CB 4.25Å; L251-V301 HydrophobicContact CD2-CG1 4.11Å; A290-V301 VanDerWaalsContact CB-O 3.25Å; A290-V301 WeakPolarHBondContact CB-O 3.29Å; A290-V301 PolarHBondContact N-O 3.02Å; A290-V301 PolarHBondContact O-N 2.72Å; L292-V301 HydrophobicContact CD2-CB 4.09Å; L292-V301 HydrophobicContact CD2-CG2 3.87Å; L294-V301 HydrophobicContact CD1-CG2 4.05Å; V301-V458 HydrophobicContact CG1-CG2 3.71Å; V301-V459 VanDerWaalsContact CA-O 3.29Å; V301-V459 WeakPolarHBondContact CA-O 3.31Å; V301-I460 HydrophobicContact CG1-CG1 4.34Å; V301-I460 HydrophobicContact CG2-CG1 4.33Å; V301-I460 HydrophobicContact CG2-CG2 4.27Å
302	Y	98.5	Very high	96.9	Very high	8 Å²	8	25.5 Å²	25.5	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158.1	165.8	65	-86.1	0	0	0	110.9	F286 P289 Q316 A321 V459	F286-Y302 HydrophobicContact CB-CE1 4.18Å; F286-Y302 HydrophobicContact CD2-CE1 4.41Å; P289-Y302 HydrophobicContact CB-CD1 4.28Å; Y302-Q316 HydrophobicContact CD2-CB 4.34Å; Y302-Q316 HydrophobicContact CE2-CB 4.15Å; Y302-Q316 HydrophobicContact CE2-CG 4.14Å; Y302-A321 HydrophobicContact CE2-CB 3.98Å; Y302-V459 HydrophobicContact CD1-CB 4.07Å; Y302-V459 HydrophobicContact CD1-CG1 4.44Å; Y302-V459 HydrophobicContact CD2-CB 4.38Å; Y302-V459 HydrophobicContact CD2-CG2 4.47Å; Y302-V459 HydrophobicContact CE1-CB 3.59Å; Y302-V459 HydrophobicContact CE1-CG1 3.62Å; Y302-V459 HydrophobicContact CE1-CG2 4.27Å; Y302-V459 HydrophobicContact CE2-CB 3.94Å; Y302-V459 HydrophobicContact CE2-CG2 3.77Å; Y302-V459 HydrophobicContact CG-CB 4.44Å; Y302-V459 PolarHBondContact N-O 3.17Å; Y302-V459 VanDerWaalsContact N-O 3.08Å; Y302-V459 PolarHBondContact O-N 3.42Å
303	F	98.8	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	143.6	173.1	-58.5	-75.6	0	0	0	111.6	L223 I225 L251 D254 L255 I258 R315 A457 V458	L223-F303 HydrophobicContact CD1-CZ 4.35Å; L223-F303 HydrophobicContact CD2-CZ 3.96Å; I225-F303 HydrophobicContact CG2-CE1 4.45Å; L251-F303 HydrophobicContact CB-CE2 4.05Å; L251-F303 HydrophobicContact CB-CZ 4.34Å; L251-F303 HydrophobicContact CD2-CE2 4.12Å; L251-F303 WeakPolarHBondContact O-CE2 3.24Å; D254-F303 HydrophobicContact CB-CD2 4.42Å; D254-F303 WeakPolarHBondContact OD2-CD2 3.37Å; L255-F303 HydrophobicContact CB-CD2 4.12Å; L255-F303 HydrophobicContact CB-CE2 3.85Å; L255-F303 HydrophobicContact CB-CZ 4.1Å; L255-F303 HydrophobicContact CD1-CD1 3.96Å; L255-F303 HydrophobicContact CD1-CD2 4.38Å; L255-F303 HydrophobicContact CD1-CE1 4.2Å; L255-F303 HydrophobicContact CD1-CG 4.05Å; L255-F303 HydrophobicContact CD2-CE1 4.38Å; L255-F303 HydrophobicContact CD2-CZ 4.38Å; I258-F303 HydrophobicContact CD1-CB 3.86Å; F303-R315 WeakPolarHBondContact O-CD 3.39Å; F303-R315 PolarHBondContact O-NH1 2.76Å; F303-A457 CarbonylContact C-O 3.59Å; F303-A457 VanDerWaalsContact CA-O 3.27Å; F303-A457 WeakPolarHBondContact CA-O 3.06Å; F303-V458 HydrophobicContact CD1-CB 3.78Å; F303-V458 HydrophobicContact CD1-CG2 3.95Å; F303-V458 HydrophobicContact CE1-CB 3.68Å; F303-V458 HydrophobicContact CE1-CG2 3.61Å; F303-V458 HydrophobicContact CZ-CG2 4.35Å
304	S	98.7	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	159.8	170	54.4	0	0	0	0	111.6	Q316 D318 A456 A457	S304-Q316 VanDerWaalsContact CA-O 3.27Å; S304-Q316 WeakPolarHBondContact CA-O 3.5Å; S304-Q316 WeakPolarHBondContact CB-O 3.35Å; S304-D318 WeakPolarHBondContact CB-OD1 3.47Å; S304-D318 PolarHBondContact OG-OD1 2.93Å; S304-A456 VanDerWaalsContact O-CA 3.25Å; S304-A456 WeakPolarHBondContact O-CA 3.43Å; S304-A456 WeakPolarHBondContact O-CB 3.35Å; S304-A457 PolarHBondContact N-O 3.06Å; S304-A457 PolarHBondContact O-N 3.17Å
305	S	98.6	Very high	96.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.3	179.5	177	0	0	0	0	111.3	Y262 C311 Q316 S317 D318 G455	Y262-S305 PolarHBondContact OH-OG 3.32Å; S305-C311 PolarHBondContact O-SG 3.07Å; S305-Q316 PolarHBondContact N-O 3.1Å; S305-Q316 VanDerWaalsContact N-O 3.09Å; S305-S317 CarbonylContact O-C 3.51Å; S305-S317 WeakPolarHBondContact O-CA 3.38Å; S305-D318 PolarHBondContact O-N 3.25Å; S305-G455 CarbonylContact C-O 3.54Å; S305-G455 WeakPolarHBondContact CA-O 3.17Å
306	S	98.5	Very high	96.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.6	169	60.7	0	0	0	0	110.5	Y449 T453 A454 G455	S306-Y449 PolarHBondContact OG-O 3.38Å; S306-T453 CarbonylContact C-O 2.99Å; S306-T453 PolarHBondContact OG-O 3.34Å; S306-T453 VanDerWaalsContact OG-O 3.07Å; S306-A454 VanDerWaalsContact O-CA 3.27Å; S306-A454 WeakPolarHBondContact O-CA 3.35Å; S306-G455 PolarHBondContact N-O 3.06Å; S306-G455 PolarHBondContact O-N 2.55Å; S306-G455 WeakPolarHBondContact OG-CA 3.26Å; S306-G455 PolarHBondContact OG-N 2.9Å; S306-G455 PolarHBondContact OG-O 2.77Å
307	P	98.1	Very high	97.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	S	Bend	cis	-70.8	170.6	-16.3	35.1	-37.3	0	0	0	111.2	F206 Q309 F310 L451 T453	F206-P307 HydrophobicContact CD2-CG 4.45Å; F206-P307 HydrophobicContact CE1-CG 4.08Å; F206-P307 HydrophobicContact CE2-CG 3.67Å; F206-P307 HydrophobicContact CZ-CG 3.45Å; F206-P307 VanDerWaalsContact CZ-CG 3.45Å; P307-Q309 PolarHBondContact O-N 2.49Å; P307-F310 HydrophobicContact CG-CD2 4.27Å; P307-F310 HydrophobicContact CG-CG 4.39Å; P307-F310 PolarHBondContact O-N 3.49Å; P307-L451 WeakPolarHBondContact CB-O 3.27Å; P307-T453 WeakPolarHBondContact CD-O 3.4Å
308	K	97.2	Very high	97.4	Very high	159 Å²	159	31.7 Å²	31.7	69%	0.691	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-51.9	-31.5	-176.6	-178.2	176.5	177.5	178.4	0	113.6	F310 C311	K308-F310 PolarHBondContact O-N 2.97Å; K308-C311 VanDerWaalsContact O-CB 3.28Å; K308-C311 WeakPolarHBondContact O-CB 3.33Å; K308-C311 PolarHBondContact O-N 3.49Å
309	Q	97.2	Very high	97.6	Very high	92 Å²	92	30 Å²	30	43%	0.43	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-66.1	-21.6	179.1	-63	85.5	-23.3	0	0	112.9	F206 L272 W276 P307	F206-Q309 HydrophobicContact CE1-CB 3.97Å; F206-Q309 HydrophobicContact CE1-CG 3.93Å; F206-Q309 HydrophobicContact CZ-CB 4.14Å; L272-Q309 HydrophobicContact CD1-CB 4.27Å; L272-Q309 HydrophobicContact CD1-CG 4.45Å; L272-Q309 HydrophobicContact CD2-CB 4.06Å; W276-Q309 PolarHBondContact NE1-O 3.14Å; P307-Q309 PolarHBondContact O-N 2.49Å
310	F	97.7	Very high	97.7	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.013	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-90.9	-5.9	172.9	-68.1	-9.1	0	0	0	113.1	M200 H202 W205 F206 V261 Y262 M265 L272 W276 P307 K308 S312 A454	M200-F310 HydrophobicContact CE-CD2 4.24Å; M200-F310 HydrophobicContact CE-CE2 3.3Å; M200-F310 HydrophobicContact CE-CZ 3.5Å; M200-F310 VanDerWaalsContact CE-CZ 3.5Å; H202-F310 AromaticContact NE2-CE2 3.55Å; W205-F310 HydrophobicContact CE3-CE1 4.48Å; W205-F310 AromaticContact CE3-CZ 3.88Å; W205-F310 HydrophobicContact CE3-CZ 3.88Å; W205-F310 AromaticContact CZ3-CZ 3.98Å; W205-F310 HydrophobicContact CZ3-CZ 3.98Å; F206-F310 HydrophobicContact CE2-CE1 4.13Å; F206-F310 HydrophobicContact CE2-CE2 4.32Å; F206-F310 AromaticContact CE2-CZ 3.79Å; F206-F310 HydrophobicContact CE2-CZ 3.79Å; F206-F310 HydrophobicContact CZ-CD1 4.4Å; F206-F310 AromaticContact CZ-CE1 3.9Å; F206-F310 HydrophobicContact CZ-CE1 3.9Å; F206-F310 HydrophobicContact CZ-CZ 4.05Å; V261-F310 HydrophobicContact CG1-CB 4.1Å; V261-F310 HydrophobicContact CG1-CG 4.38Å; Y262-F310 HydrophobicContact CD1-CD2 4.24Å; Y262-F310 AromaticContact CE1-CD2 3.85Å; Y262-F310 HydrophobicContact CE1-CD2 3.85Å; M265-F310 HydrophobicContact CE-CE1 4.09Å; M265-F310 HydrophobicContact CG-CD1 4.43Å; M265-F310 HydrophobicContact CG-CE1 3.92Å; M265-F310 HydrophobicContact CG-CZ 4.3Å; M265-F310 HydrophobicContact SD-CE1 4.4Å; L272-F310 HydrophobicContact CD2-CD1 3.8Å; L272-F310 HydrophobicContact CD2-CE1 3.49Å; L272-F310 VanDerWaalsContact CD2-CE1 3.49Å; W276-F310 HydrophobicContact CZ2-CD1 4.19Å; P307-F310 HydrophobicContact CG-CD2 4.27Å; P307-F310 HydrophobicContact CG-CG 4.39Å; P307-F310 PolarHBondContact O-N 3.49Å; K308-F310 PolarHBondContact O-N 2.97Å; F310-S312 PolarHBondContact O-N 2.94Å; F310-A454 HydrophobicContact CD2-CB 4.12Å; F310-A454 HydrophobicContact CE2-CB 4.01Å
311	C	97.8	Very high	97.7	Very high	20 Å²	20	30.6 Å²	30.6	14%	0.135	15%	0.147	C	C	.	.			trans	-73.1	113.9	172.3	-56.4	0	0	0	0	109.8	S305 K308 R315	S305-C311 PolarHBondContact O-SG 3.07Å; K308-C311 VanDerWaalsContact O-CB 3.28Å; K308-C311 WeakPolarHBondContact O-CB 3.33Å; K308-C311 PolarHBondContact O-N 3.49Å; C311-R315 HydrophobicContact CB-CB 4.09Å; C311-R315 HydrophobicContact CB-CG 4.2Å
312	S	95.3	Very high	97.7	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.063	15%	0.147	C	C	.	.			trans	-65.7	175.4	165.3	63.4	0	0	0	0	111.2	Y280 F310 N314 R315	Y280-S312 WeakPolarHBondContact O-CB 3.35Å; Y280-S312 PolarHBondContact O-OG 3.32Å; F310-S312 PolarHBondContact O-N 2.94Å; S312-N314 PolarHBondContact O-N 3.37Å; S312-R315 WeakPolarHBondContact O-CB 3.32Å; S312-R315 PolarHBondContact O-N 3.4Å
313	R	94.5	Very high	97.7	Very high	132 Å²	132	32 Å²	32	50%	0.498	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	132.2	179.5	-175.7	177.3	-179.4	-177.7	-2.6	110.6	Y70 T281 T282 R315	Y70-R313 VanDerWaalsContact CE2-NH2 3.32Å; T281-R313 HydrophobicContact CG2-CB 3.91Å; T281-R313 HydrophobicContact CG2-CG 4.2Å; T282-R313 PolarHBondContact N-O 2.83Å; R313-R315 PolarHBondContact O-N 3.46Å
314	N	95.3	Very high	97.7	Very high	69 Å²	69	34.4 Å²	34.4	37%	0.369	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-5.8	-176	-45.7	-42.1	0	0	0	117.1	T282 N285 S312 Q316	T282-N314 HydrophobicContact CG2-CB 4.48Å; T282-N314 VanDerWaalsContact O-CB 3.31Å; T282-N314 WeakPolarHBondContact O-CB 3.17Å; T282-N314 PolarHBondContact O-ND2 2.81Å; N285-N314 WeakPolarHBondContact CB-O 3.09Å; S312-N314 PolarHBondContact O-N 3.37Å; N314-Q316 PolarHBondContact O-N 2.53Å
315	R	97.5	Very high	97.7	Very high	13 Å²	13	34.7 Å²	34.7	5%	0.049	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-64.4	124	175	177.2	61.6	67.5	-156.7	-0.6	108.7	D254 T282 F303 C311 S312 R313 S317	D254-R315 PolarHBondContact O-NH2 3.13Å; D254-R315 IonicContact OD1-CZ 3.42Å; D254-R315 IonicContact OD1-NH1 3.15Å; D254-R315 IonicContact OD1-NH2 3.36Å; D254-R315 PolarHBondContact OD1-NH2 2.97Å; D254-R315 IonicContact OD2-CZ 3.77Å; D254-R315 IonicContact OD2-NH1 3.52Å; D254-R315 PolarHBondContact OD2-NH1 3.03Å; D254-R315 IonicContact OD2-NH2 3.4Å; D254-R315 PolarHBondContact OD2-NH2 3.3Å; T282-R315 HydrophobicContact CG2-CB 3.86Å; F303-R315 WeakPolarHBondContact O-CD 3.39Å; F303-R315 PolarHBondContact O-NH1 2.76Å; C311-R315 HydrophobicContact CB-CB 4.09Å; C311-R315 HydrophobicContact CB-CG 4.2Å; S312-R315 WeakPolarHBondContact O-CB 3.32Å; S312-R315 PolarHBondContact O-N 3.4Å; R313-R315 PolarHBondContact O-N 3.46Å; R315-S317 PolarHBondContact O-N 3.28Å
316	Q	97.6	Very high	97.8	Very high	46 Å²	46	34.6 Å²	34.6	22%	0.215	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134	177.1	-167.8	67.9	-3.3	0	0	109.9	N285 Y302 S304 S305 N314 A321	N285-Q316 HydrophobicContact CB-CB 4.42Å; Y302-Q316 HydrophobicContact CD2-CB 4.34Å; Y302-Q316 HydrophobicContact CE2-CB 4.15Å; Y302-Q316 HydrophobicContact CE2-CG 4.14Å; S304-Q316 VanDerWaalsContact CA-O 3.27Å; S304-Q316 WeakPolarHBondContact CA-O 3.5Å; S304-Q316 WeakPolarHBondContact CB-O 3.35Å; S305-Q316 PolarHBondContact N-O 3.1Å; S305-Q316 VanDerWaalsContact N-O 3.09Å; N314-Q316 PolarHBondContact O-N 2.53Å; Q316-A321 HydrophobicContact CG-CB 3.78Å
317	S	98.5	Very high	97.8	Very high	13 Å²	13	37.7 Å²	37.7	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	144.2	171	85.9	0	0	0	0	110.6	S305 R315 I319 S320 A321	S305-S317 CarbonylContact O-C 3.51Å; S305-S317 WeakPolarHBondContact O-CA 3.38Å; R315-S317 PolarHBondContact O-N 3.28Å; S317-I319 VanDerWaalsContact C-N 3.28Å; S317-I319 PolarHBondContact O-N 3.34Å; S317-I319 WeakPolarHBondContact OG-CG2 3.3Å; S317-S320 PolarHBondContact O-N 3.27Å; S317-S320 WeakPolarHBondContact OG-CB 3.22Å; S317-S320 PolarHBondContact OG-N 3.36Å; S317-S320 PolarHBondContact OG-OG 3.04Å; S317-A321 PolarHBondContact O-N 3.47Å
318	D	98.3	Very high	97.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-55.7	-43	-175.8	-146.9	40.2	0	0	0	112.2	S304 S305 A321 L322 Y439 S443 F450 A457	S304-D318 WeakPolarHBondContact CB-OD1 3.47Å; S304-D318 PolarHBondContact OG-OD1 2.93Å; S305-D318 PolarHBondContact O-N 3.25Å; D318-A321 PolarHBondContact O-N 3.19Å; D318-L322 WeakPolarHBondContact O-CB 3.46Å; D318-L322 PolarHBondContact O-N 3.35Å; D318-Y439 PolarHBondContact OD1-OH 3.3Å; D318-Y439 VanDerWaalsContact OD1-OH 3.04Å; D318-Y439 PolarHBondContact OD2-OH 2.97Å; D318-Y439 VanDerWaalsContact OD2-OH 3.08Å; D318-S443 PolarHBondContact OD2-OG 2.89Å; D318-F450 HydrophobicContact CB-CD1 4.08Å; D318-F450 HydrophobicContact CB-CE1 4.37Å; D318-A457 WeakPolarHBondContact OD1-CB 3.44Å; D318-A457 PolarHBondContact OD1-N 3.23Å
319	I	98.6	Very high	97.8	Very high	22 Å²	22	31.8 Å²	31.8	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-44.5	176.2	-175.1	56.2	0	0	0	111.9	S317 A321 L322 L323 W353 D355 I356 F450	S317-I319 VanDerWaalsContact C-N 3.28Å; S317-I319 PolarHBondContact O-N 3.34Å; S317-I319 WeakPolarHBondContact OG-CG2 3.3Å; I319-A321 VanDerWaalsContact C-N 3.29Å; I319-A321 PolarHBondContact O-N 2.96Å; I319-L322 PolarHBondContact O-N 3.4Å; I319-L323 HydrophobicContact CD1-CD1 4.09Å; I319-L323 HydrophobicContact CD1-CD2 4.17Å; I319-L323 HydrophobicContact CD1-CG 3.85Å; I319-L323 HydrophobicContact CG1-CD1 3.9Å; I319-L323 HydrophobicContact CG1-CG 4.13Å; I319-L323 WeakPolarHBondContact O-CB 3.43Å; I319-L323 VanDerWaalsContact O-CG 3.24Å; I319-L323 WeakPolarHBondContact O-CG 2.97Å; I319-L323 PolarHBondContact O-N 3.09Å; I319-W353 HydrophobicContact CD1-CH2 3.53Å; I319-W353 HydrophobicContact CD1-CZ2 3.9Å; I319-W353 HydrophobicContact CG1-CH2 4.05Å; I319-W353 HydrophobicContact CG1-CZ2 3.91Å; I319-D355 HydrophobicContact CD1-CB 4.37Å; I319-I356 HydrophobicContact CD1-CD1 4.35Å; I319-I356 HydrophobicContact CD1-CG1 3.87Å; I319-F450 HydrophobicContact CB-CB 4.05Å; I319-F450 HydrophobicContact CB-CD1 3.79Å; I319-F450 HydrophobicContact CB-CG 4.12Å; I319-F450 HydrophobicContact CD1-CD1 4.26Å; I319-F450 HydrophobicContact CD1-CG 4.37Å
320	S	98.4	Very high	97.8	Very high	53 Å²	53	34.2 Å²	34.2	37%	0.371	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-35.4	179	-56.4	0	0	0	0	112	S317 E324	S317-S320 PolarHBondContact O-N 3.27Å; S317-S320 WeakPolarHBondContact OG-CB 3.22Å; S317-S320 PolarHBondContact OG-N 3.36Å; S317-S320 PolarHBondContact OG-OG 3.04Å; S320-E324 VanDerWaalsContact O-CB 3.3Å; S320-E324 WeakPolarHBondContact O-CB 3.42Å; S320-E324 PolarHBondContact O-N 3.26Å; S320-E324 VanDerWaalsContact O-N 3.1Å
321	A	98.7	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-48.6	174.5	0	0	0	0	0	111.5	Y302 Q316 S317 D318 I319 L323 E324 V325 Y439 V459	Y302-A321 HydrophobicContact CE2-CB 3.98Å; Q316-A321 HydrophobicContact CG-CB 3.78Å; S317-A321 PolarHBondContact O-N 3.47Å; D318-A321 PolarHBondContact O-N 3.19Å; I319-A321 VanDerWaalsContact C-N 3.29Å; I319-A321 PolarHBondContact O-N 2.96Å; A321-L323 PolarHBondContact O-N 3.25Å; A321-E324 PolarHBondContact O-N 3Å; A321-V325 WeakPolarHBondContact O-CG2 3.32Å; A321-V325 PolarHBondContact O-N 3.38Å; A321-Y439 HydrophobicContact CB-CE2 4.4Å; A321-V459 HydrophobicContact CB-CG2 4.21Å
322	L	98.8	Very high	97.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-46.5	178.8	176.7	59.7	0	0	0	112.3	D318 I319 E324 V325 I326 I356 V432 Y439 F445 F450	D318-L322 WeakPolarHBondContact O-CB 3.46Å; D318-L322 PolarHBondContact O-N 3.35Å; I319-L322 PolarHBondContact O-N 3.4Å; L322-E324 VanDerWaalsContact C-N 3.29Å; L322-E324 PolarHBondContact O-N 3.42Å; L322-V325 PolarHBondContact O-N 3.03Å; L322-I326 HydrophobicContact CD1-CD1 4.17Å; L322-I326 HydrophobicContact CG-CD1 4.18Å; L322-I326 WeakPolarHBondContact O-CG1 2.86Å; L322-I326 PolarHBondContact O-N 3Å; L322-I326 VanDerWaalsContact O-N 3.12Å; L322-I356 HydrophobicContact CD2-CD1 3.65Å; L322-I356 HydrophobicContact CD2-CG1 4Å; L322-V432 HydrophobicContact CD1-CB 4.48Å; L322-V432 HydrophobicContact CD1-CG2 3.62Å; L322-Y439 HydrophobicContact CB-CD2 4.41Å; L322-Y439 HydrophobicContact CB-CE2 3.88Å; L322-Y439 HydrophobicContact CD1-CD1 4.33Å; L322-Y439 HydrophobicContact CD1-CD2 4.37Å; L322-Y439 HydrophobicContact CD1-CE1 4.39Å; L322-Y439 HydrophobicContact CD1-CE2 4.41Å; L322-Y439 HydrophobicContact CD1-CG 4.34Å; L322-F445 HydrophobicContact CD1-CE1 4.35Å; L322-F445 HydrophobicContact CD1-CE2 4.46Å; L322-F445 HydrophobicContact CD1-CZ 3.73Å; L322-F445 HydrophobicContact CD2-CD1 4.28Å; L322-F445 HydrophobicContact CD2-CE1 3.7Å; L322-F445 HydrophobicContact CD2-CE2 4.23Å; L322-F445 HydrophobicContact CD2-CZ 3.67Å; L322-F445 HydrophobicContact CG-CZ 4.35Å; L322-F450 HydrophobicContact CD2-CE1 3.98Å; L322-F450 HydrophobicContact CD2-CZ 3.71Å
323	L	98.8	Very high	98	Very high	36 Å²	36	43 Å²	43	19%	0.188	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-38.8	178	-65.9	178.1	0	0	0	111.5	I319 A321 I326 N327 D355 A359	I319-L323 HydrophobicContact CD1-CD1 4.09Å; I319-L323 HydrophobicContact CD1-CD2 4.17Å; I319-L323 HydrophobicContact CD1-CG 3.85Å; I319-L323 HydrophobicContact CG1-CD1 3.9Å; I319-L323 HydrophobicContact CG1-CG 4.13Å; I319-L323 WeakPolarHBondContact O-CB 3.43Å; I319-L323 VanDerWaalsContact O-CG 3.24Å; I319-L323 WeakPolarHBondContact O-CG 2.97Å; I319-L323 PolarHBondContact O-N 3.09Å; A321-L323 PolarHBondContact O-N 3.25Å; L323-I326 PolarHBondContact O-N 3.19Å; L323-N327 WeakPolarHBondContact O-CB 3.47Å; L323-N327 PolarHBondContact O-N 3.39Å; L323-N327 PolarHBondContact O-ND2 2.9Å; L323-N327 VanDerWaalsContact O-ND2 3.15Å; L323-D355 HydrophobicContact CD1-CB 4.46Å; L323-D355 WeakPolarHBondContact CD2-O 3.39Å; L323-A359 HydrophobicContact CD2-CB 3.6Å
324	E	98.6	Very high	98.2	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-43.1	176.3	-175.4	54.2	-128.3	0	0	111.9	F286 S320 A321 L322 I326 N327 S328	F286-E324 HydrophobicContact CB-CG 4.39Å; F286-E324 HydrophobicContact CD1-CG 3.7Å; F286-E324 HydrophobicContact CD2-CG 3.39Å; F286-E324 VanDerWaalsContact CE1-CD 3.4Å; F286-E324 HydrophobicContact CE1-CG 3.69Å; F286-E324 WeakPolarHBondContact CE1-OE1 3.49Å; F286-E324 HydrophobicContact CE2-CG 3.38Å; F286-E324 HydrophobicContact CG-CG 3.54Å; F286-E324 HydrophobicContact CZ-CG 3.53Å; F286-E324 WeakPolarHBondContact CZ-OE1 3.43Å; S320-E324 VanDerWaalsContact O-CB 3.3Å; S320-E324 WeakPolarHBondContact O-CB 3.42Å; S320-E324 PolarHBondContact O-N 3.26Å; S320-E324 VanDerWaalsContact O-N 3.1Å; A321-E324 PolarHBondContact O-N 3Å; L322-E324 VanDerWaalsContact C-N 3.29Å; L322-E324 PolarHBondContact O-N 3.42Å; E324-I326 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.38Å; E324-N327 PolarHBondContact O-N 3.23Å; E324-S328 WeakPolarHBondContact O-CB 3.42Å; E324-S328 PolarHBondContact O-N 2.76Å; E324-S328 PolarHBondContact OE1-OG 3.2Å
325	V	98.8	Very high	98.4	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-46.4	174.6	173.5	0	0	0	0	111.2	A321 L322 A329 V432 T434 T437 Y439 V459	A321-V325 WeakPolarHBondContact O-CG2 3.32Å; A321-V325 PolarHBondContact O-N 3.38Å; L322-V325 PolarHBondContact O-N 3.03Å; V325-A329 PolarHBondContact O-N 2.97Å; V325-V432 HydrophobicContact CG1-CG1 4.16Å; V325-T434 HydrophobicContact CG1-CG2 3.87Å; V325-T437 HydrophobicContact CG1-CG2 4.14Å; V325-T437 HydrophobicContact CG2-CG2 3.9Å; V325-Y439 HydrophobicContact CG2-CD2 4.46Å; V325-V459 HydrophobicContact CG2-CG1 3.89Å; V325-V459 HydrophobicContact CG2-CG2 4.48Å
326	I	98.9	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-44.1	179.3	-63.7	168.3	0	0	0	111.1	L322 L323 E324 A329 V333 I356 A359 L360 A363 R367	L322-I326 HydrophobicContact CD1-CD1 4.17Å; L322-I326 HydrophobicContact CG-CD1 4.18Å; L322-I326 WeakPolarHBondContact O-CG1 2.86Å; L322-I326 PolarHBondContact O-N 3Å; L322-I326 VanDerWaalsContact O-N 3.12Å; L323-I326 PolarHBondContact O-N 3.19Å; E324-I326 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.38Å; I326-A329 WeakPolarHBondContact O-CB 3.4Å; I326-A329 PolarHBondContact O-N 3.26Å; I326-V333 HydrophobicContact CG1-CG1 4.24Å; I326-V333 HydrophobicContact CG2-CG2 4.47Å; I326-I356 HydrophobicContact CD1-CG2 4.43Å; I326-A359 HydrophobicContact CB-CB 4.49Å; I326-A359 HydrophobicContact CD1-CB 4.41Å; I326-A359 HydrophobicContact CG2-CB 3.95Å; I326-L360 HydrophobicContact CD1-CD2 4.09Å; I326-L360 HydrophobicContact CD1-CG 4.45Å; I326-L360 HydrophobicContact CG1-CD2 4.48Å; I326-L360 HydrophobicContact CG2-CD2 4.3Å; I326-A363 HydrophobicContact CG2-CB 4.22Å; I326-R367 PolarHBondContact O-NH2 2.84Å
327	N	98.7	Very high	98.5	Very high	67 Å²	67	30.7 Å²	30.7	36%	0.358	15%	0.148	S	C	.	.	H	α-helix	trans	-71.3	-32.6	-176.3	-72.4	-27.4	0	0	0	112.9	L323 E324 R367	L323-N327 WeakPolarHBondContact O-CB 3.47Å; L323-N327 PolarHBondContact O-N 3.39Å; L323-N327 PolarHBondContact O-ND2 2.9Å; L323-N327 VanDerWaalsContact O-ND2 3.15Å; E324-N327 PolarHBondContact O-N 3.23Å; N327-R367 PolarHBondContact O-NE 3.24Å
328	S	97.8	Very high	98.5	Very high	33 Å²	33	30.7 Å²	30.7	23%	0.231	15%	0.147	C	C	.	.	H	α-helix	trans	-75.7	-22.7	176.9	-88.1	0	0	0	0	113.7	E324 K330	E324-S328 WeakPolarHBondContact O-CB 3.42Å; E324-S328 PolarHBondContact O-N 2.76Å; E324-S328 PolarHBondContact OE1-OG 3.2Å; S328-K330 VanDerWaalsContact O-CE 3.28Å; S328-K330 WeakPolarHBondContact O-CE 3.4Å
329	A	98.3	Very high	98.5	Very high	1 Å²	1	31 Å²	31	1%	0.008	15%	0.148	C	C	.	.			trans	-58.3	139.1	-179.3	0	0	0	0	0	113.1	V325 I326 V333 V369 T434	V325-A329 PolarHBondContact O-N 2.97Å; I326-A329 WeakPolarHBondContact O-CB 3.4Å; I326-A329 PolarHBondContact O-N 3.26Å; A329-V333 HydrophobicContact CB-CG2 3.45Å; A329-V333 VanDerWaalsContact CB-CG2 3.45Å; A329-V369 HydrophobicContact CB-CG1 4.35Å; A329-V369 WeakPolarHBondContact O-CG2 3.48Å; A329-T434 HydrophobicContact CB-CG2 3.81Å
330	K	97.5	Very high	98.5	Very high	144 Å²	144	30 Å²	30	63%	0.626	14%	0.143	S	C	*	.	S	Bend	trans	-114.5	-27.6	-177.6	-55.5	-55.7	177.9	-162.6	0	113.7	S328 E435	S328-K330 VanDerWaalsContact O-CE 3.28Å; S328-K330 WeakPolarHBondContact O-CE 3.4Å; K330-E435 WeakPolarHBondContact CB-OE1 3.41Å; K330-E435 PolarHBondContact N-OE1 3.36Å; K330-E435 PolarHBondContact N-OE2 2.92Å
331	R	97.7	Very high	98.5	Very high	181 Å²	181	27.5 Å²	27.5	68%	0.683	13%	0.126	S	C	*	.	S	Bend	trans	-117.1	-52.6	-174.9	-66	178.7	63.1	-172.1	-1.6	112.3	S370 E435	R331-S370 PolarHBondContact O-N 3.45Å; R331-E435 HydrophobicContact CB-CB 4.34Å; R331-E435 PolarHBondContact N-OE2 3.28Å
332	F	98.5	Very high	98.4	Very high	34 Å²	34	27.7 Å²	27.7	15%	0.149	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157.8	-179.5	66	-95.4	0	0	0	112.7	N334 S370 V433 T434 E435 Q481	F332-N334 HydrophobicContact CD2-CB 4.29Å; F332-N334 VanDerWaalsContact CD2-ND2 3.26Å; F332-N334 WeakPolarHBondContact CD2-ND2 3.39Å; F332-N334 WeakPolarHBondContact CE2-ND2 3.41Å; F332-S370 CarbonylContact C-O 3.15Å; F332-S370 WeakPolarHBondContact CA-O 3.38Å; F332-S370 WeakPolarHBondContact CB-O 3.42Å; F332-V433 WeakPolarHBondContact CE2-O 3.39Å; F332-T434 VanDerWaalsContact CZ-O 3.32Å; F332-T434 WeakPolarHBondContact CZ-O 3.48Å; F332-T434 WeakPolarHBondContact O-CA 3.32Å; F332-T434 WeakPolarHBondContact O-CB 3.18Å; F332-E435 HydrophobicContact CE1-CB 3.97Å; F332-E435 HydrophobicContact CZ-CB 4.44Å; F332-E435 PolarHBondContact N-OE2 3.25Å; F332-Q481 HydrophobicContact CZ-CG 4.35Å
333	V	98.9	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	110.2	167.8	176.2	0	0	0	0	107.5	I326 A329 V335 L360 V369 S370 V371 K372 V432 T434	I326-V333 HydrophobicContact CG1-CG1 4.24Å; I326-V333 HydrophobicContact CG2-CG2 4.47Å; A329-V333 HydrophobicContact CB-CG2 3.45Å; A329-V333 VanDerWaalsContact CB-CG2 3.45Å; V333-V335 HydrophobicContact CG1-CG2 3.92Å; V333-L360 HydrophobicContact CG1-CD2 3.94Å; V333-V369 HydrophobicContact CB-CG1 4.48Å; V333-V369 HydrophobicContact CG2-CG1 3.85Å; V333-S370 PolarHBondContact N-O 3.24Å; V333-V371 HydrophobicContact CB-CG2 4.45Å; V333-V371 WeakPolarHBondContact O-CA 3.21Å; V333-K372 PolarHBondContact O-N 2.66Å; V333-V432 HydrophobicContact CG1-CG1 3.73Å; V333-T434 HydrophobicContact CG2-CG2 4.33Å
334	N	98.9	Very high	98.4	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.9	177	-69.5	-20.5	0	0	0	108.9	F332 K372 V432 V433 Q481 F484	F332-N334 HydrophobicContact CD2-CB 4.29Å; F332-N334 VanDerWaalsContact CD2-ND2 3.26Å; F332-N334 WeakPolarHBondContact CD2-ND2 3.39Å; F332-N334 WeakPolarHBondContact CE2-ND2 3.41Å; N334-K372 CarbonylContact C-O 3.3Å; N334-K372 WeakPolarHBondContact CA-O 3.43Å; N334-K372 WeakPolarHBondContact OD1-CB 3.48Å; N334-V432 CarbonylContact O-C 3.55Å; N334-V432 VanDerWaalsContact O-CA 3.29Å; N334-V432 WeakPolarHBondContact O-CA 3.41Å; N334-V433 HydrophobicContact CB-CG1 3.73Å; N334-V433 PolarHBondContact N-O 2.86Å; N334-V433 PolarHBondContact O-N 2.85Å; N334-Q481 PolarHBondContact ND2-NE2 2.94Å; N334-Q481 PolarHBondContact ND2-OE1 2.93Å; N334-F484 HydrophobicContact CB-CD1 3.67Å; N334-F484 HydrophobicContact CB-CD2 3.85Å; N334-F484 HydrophobicContact CB-CE1 3.58Å; N334-F484 HydrophobicContact CB-CE2 3.76Å; N334-F484 HydrophobicContact CB-CG 3.8Å; N334-F484 HydrophobicContact CB-CZ 3.62Å; N334-F484 VanDerWaalsContact CG-CE1 3.4Å
335	V	98.9	Very high	98.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.1	-175.4	-179.3	0	0	0	0	109.2	V333 V337 L360 K372 L373 L374 V432 F445 F484	V333-V335 HydrophobicContact CG1-CG2 3.92Å; V335-V337 HydrophobicContact CG1-CB 4.45Å; V335-V337 HydrophobicContact CG1-CG1 4.18Å; V335-L360 HydrophobicContact CG2-CD2 4.25Å; V335-K372 PolarHBondContact N-O 3.48Å; V335-L373 HydrophobicContact CB-CG 4.27Å; V335-L373 WeakPolarHBondContact O-CA 3.25Å; V335-L374 PolarHBondContact O-N 3.21Å; V335-V432 HydrophobicContact CG1-CG2 4.42Å; V335-V432 HydrophobicContact CG2-CG1 4.35Å; V335-V432 HydrophobicContact CG2-CG2 4.09Å; V335-F445 HydrophobicContact CB-CE2 4.5Å; V335-F445 HydrophobicContact CG1-CD2 3.9Å; V335-F445 HydrophobicContact CG1-CE2 3.36Å; V335-F445 HydrophobicContact CG1-CZ 3.98Å; V335-F445 HydrophobicContact CG2-CE2 4.33Å; V335-F484 WeakPolarHBondContact O-CE2 3.18Å
336	A	98.9	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.3	166.9	0	0	0	0	0	109.9	L374 N429 K430 Y431 F484	A336-L374 WeakPolarHBondContact CA-O 3.36Å; A336-L374 HydrophobicContact CB-CB 4.32Å; A336-N429 HydrophobicContact CB-CB 4.38Å; A336-N429 CarbonylContact O-C 3.12Å; A336-K430 WeakPolarHBondContact O-CA 3.43Å; A336-Y431 HydrophobicContact CB-CD1 4.02Å; A336-Y431 HydrophobicContact CB-CD2 4.22Å; A336-Y431 HydrophobicContact CB-CE1 3.52Å; A336-Y431 HydrophobicContact CB-CE2 3.7Å; A336-Y431 HydrophobicContact CB-CG 4.35Å; A336-Y431 PolarHBondContact N-O 2.87Å; A336-Y431 PolarHBondContact O-N 2.83Å; A336-F484 HydrophobicContact CB-CD2 4.33Å; A336-F484 HydrophobicContact CB-CE2 4.47Å
337	V	98.7	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.5	-176.5	69.8	0	0	0	0	111.3	V335 D339 L374 I375 S376 N429 K430 N444 F445	V335-V337 HydrophobicContact CG1-CB 4.45Å; V335-V337 HydrophobicContact CG1-CG1 4.18Å; V337-D339 WeakPolarHBondContact CG2-O 3.35Å; V337-L374 PolarHBondContact N-O 2.04Å; V337-I375 HydrophobicContact CG1-CD1 3.54Å; V337-I375 WeakPolarHBondContact O-CA 3.48Å; V337-S376 PolarHBondContact O-N 3.03Å; V337-N429 VanDerWaalsContact CA-O 3.27Å; V337-N429 WeakPolarHBondContact CA-O 3.36Å; V337-K430 HydrophobicContact CG2-CG 4.28Å; V337-N444 HydrophobicContact CG2-CB 4.46Å; V337-F445 HydrophobicContact CB-CD1 4.43Å; V337-F445 HydrophobicContact CB-CG 4.39Å; V337-F445 HydrophobicContact CG1-CB 4.26Å; V337-F445 HydrophobicContact CG1-CD2 4.31Å; V337-F445 HydrophobicContact CG1-CG 4.17Å; V337-F445 HydrophobicContact CG2-CB 4.29Å; V337-F445 HydrophobicContact CG2-CD1 3.9Å; V337-F445 HydrophobicContact CG2-CG 4.11Å
338	M	98.5	Very high	97.3	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.064	17%	0.166	C	C	.	.	S	Bend	trans	-61.5	-58.6	173.5	-178.6	-175.8	75.8	0	0	111.6	S376 W378 V426 H428 N429 N444	M338-S376 PolarHBondContact O-N 2.89Å; M338-W378 HydrophobicContact CE-CZ2 4.28Å; M338-W378 HydrophobicContact CG-CZ2 4.38Å; M338-W378 HydrophobicContact SD-CH2 4.12Å; M338-W378 HydrophobicContact SD-CZ2 3.44Å; M338-W378 WeakPolarHBondContact SD-CZ2 3.41Å; M338-V426 HydrophobicContact CG-CG2 4.02Å; M338-V426 HydrophobicContact SD-CG2 4.06Å; M338-H428 PolarHBondContact SD-CD2 3.49Å; M338-N429 PolarHBondContact N-O 2.94Å; M338-N429 VanDerWaalsContact N-O 3.15Å; M338-N444 VanDerWaalsContact CE-ND2 3.29Å; M338-N444 WeakPolarHBondContact CE-ND2 3.44Å
339	D	98	Very high	97.1	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.032	19%	0.191	C	C	.	.			trans	-118.6	135.1	-177.9	-66.1	-34.7	0	0	0	110.9	V337 N444 F445 V446	V337-D339 WeakPolarHBondContact CG2-O 3.35Å; D339-N444 HydrophobicContact CB-CB 4.14Å; D339-F445 PolarHBondContact O-N 3.31Å; D339-V446 HydrophobicContact CB-CG2 3.96Å
340	Y	98.3	Very high	97	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106	171.2	172.3	-91.5	0	0	0	109.4	I356 D357 L360 L373 M385 F388 L389 L392 F445	Y340-I356 HydrophobicContact CE2-CG2 4.46Å; Y340-D357 WeakPolarHBondContact OH-CA 3.39Å; Y340-D357 VanDerWaalsContact OH-CB 3.28Å; Y340-D357 WeakPolarHBondContact OH-CB 3.33Å; Y340-D357 VanDerWaalsContact OH-CG 3.31Å; Y340-D357 PolarHBondContact OH-OD1 2.83Å; Y340-L360 HydrophobicContact CE2-CD1 3.9Å; Y340-L373 HydrophobicContact CD2-CD2 4.15Å; Y340-L373 HydrophobicContact CE2-CD2 4.2Å; Y340-L373 HydrophobicContact CG-CD2 4.3Å; Y340-M385 VanDerWaalsContact O-CG 3.31Å; Y340-M385 WeakPolarHBondContact O-CG 3.05Å; Y340-F388 HydrophobicContact CE1-CB 4.32Å; Y340-L389 HydrophobicContact CD1-CD2 3.46Å; Y340-L389 VanDerWaalsContact CD1-CD2 3.46Å; Y340-L389 HydrophobicContact CD1-CG 4.35Å; Y340-L389 HydrophobicContact CE1-CD2 4.1Å; Y340-L389 HydrophobicContact CG-CD2 4.16Å; Y340-L392 HydrophobicContact CE1-CD2 4.36Å; Y340-F445 HydrophobicContact CD2-CB 3.99Å; Y340-F445 HydrophobicContact CD2-CD2 4.23Å
341	M	97.7	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	111	177.3	-56.4	-178.1	-72.9	0	0	109.3	V343 Y345 K382 M385 F388 F445 V446	M341-V343 HydrophobicContact CB-CG2 3.84Å; M341-V343 PolarHBondContact O-N 3.21Å; M341-Y345 HydrophobicContact CE-CG 4.46Å; M341-K382 HydrophobicContact CE-CB 4.46Å; M341-K382 HydrophobicContact CE-CG 4.02Å; M341-K382 HydrophobicContact SD-CB 3.76Å; M341-K382 HydrophobicContact SD-CG 3.98Å; M341-M385 HydrophobicContact CG-CB 4.01Å; M341-M385 HydrophobicContact CG-CG 4.33Å; M341-M385 HydrophobicContact SD-CB 4.38Å; M341-F388 HydrophobicContact CB-CD2 4.36Å; M341-F388 HydrophobicContact CB-CE2 4.45Å; M341-F445 PolarHBondContact N-O 3.05Å; M341-V446 HydrophobicContact CB-CG1 4.48Å; M341-V446 HydrophobicContact CB-CG2 4.06Å; M341-V446 HydrophobicContact CE-CG1 4.16Å; M341-V446 HydrophobicContact CE-CG2 3.69Å; M341-V446 HydrophobicContact CG-CG2 4.44Å; M341-V446 WeakPolarHBondContact O-CA 3.42Å
342	P	98.2	Very high	97	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.032	19%	0.193	C	C	.	.	S	Bend	trans	-73.2	59.2	179.2	30.9	-36.4	0	0	0	112.6	Y352 W353 D357 F388	P342-Y352 HydrophobicContact CB-CE2 3.97Å; P342-Y352 HydrophobicContact CG-CE2 4.07Å; P342-Y352 WeakPolarHBondContact O-CD2 3.45Å; P342-Y352 VanDerWaalsContact O-CE2 3.31Å; P342-Y352 WeakPolarHBondContact O-CE2 3.42Å; P342-W353 CarbonylContact C-O 3.55Å; P342-W353 WeakPolarHBondContact CA-O 3.4Å; P342-W353 WeakPolarHBondContact CB-O 2.95Å; P342-W353 CarbonylContact O-C 3.49Å; P342-W353 PolarHBondContact O-N 3.27Å; P342-W353 VanDerWaalsContact O-O 3.09Å; P342-D357 HydrophobicContact CB-CB 3.8Å; P342-D357 HydrophobicContact CG-CB 4.18Å; P342-F388 VanDerWaalsContact CD-CG 3.47Å; P342-F388 HydrophobicContact CG-CB 4.3Å; P342-F388 HydrophobicContact CG-CD1 3.46Å; P342-F388 VanDerWaalsContact CG-CD1 3.46Å; P342-F388 HydrophobicContact CG-CD2 4.27Å; P342-F388 HydrophobicContact CG-CE1 3.71Å; P342-F388 HydrophobicContact CG-CE2 4.44Å; P342-F388 HydrophobicContact CG-CG 3.78Å; P342-F388 HydrophobicContact CG-CZ 4.2Å
343	V	98.2	Very high	97	Very high	9 Å²	9	40 Å²	40	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	158.5	180	-62.5	0	0	0	0	109.4	M341 Y345 R351 F388 V446 G447	M341-V343 HydrophobicContact CB-CG2 3.84Å; M341-V343 PolarHBondContact O-N 3.21Å; V343-Y345 HydrophobicContact CG2-CD2 4.46Å; V343-R351 CarbonylContact C-O 3.49Å; V343-R351 VanDerWaalsContact CA-O 3.29Å; V343-R351 WeakPolarHBondContact CA-O 3.39Å; V343-R351 WeakPolarHBondContact CB-O 3.47Å; V343-F388 HydrophobicContact CG1-CE2 3.82Å; V343-F388 HydrophobicContact CG1-CZ 3.52Å; V343-V446 HydrophobicContact CG2-CG1 4.49Å; V343-V446 WeakPolarHBondContact O-CG1 3.41Å; V343-G447 PolarHBondContact O-N 2.81Å
344	V	98.2	Very high	96.9	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	108.9	152.6	-172.9	0	0	0	0	106.5	A347 S350 R351 W353 D448 L451	V344-A347 HydrophobicContact CG1-CB 3.53Å; V344-S350 WeakPolarHBondContact O-CA 3.45Å; V344-S350 WeakPolarHBondContact O-CB 3.38Å; V344-S350 PolarHBondContact O-OG 3.29Å; V344-R351 HydrophobicContact CB-CG 3.99Å; V344-R351 HydrophobicContact CG2-CG 4.13Å; V344-R351 PolarHBondContact N-O 2.82Å; V344-R351 PolarHBondContact O-N 3.45Å; V344-R351 VanDerWaalsContact O-N 3.12Å; V344-W353 HydrophobicContact CG2-CB 3.88Å; V344-W353 HydrophobicContact CG2-CG 4.25Å; V344-D448 WeakPolarHBondContact CA-OD2 3.38Å; V344-D448 WeakPolarHBondContact CG1-OD1 3.27Å; V344-L451 HydrophobicContact CG2-CD1 3.62Å
345	Y	96	Very high	96.9	Very high	67 Å²	67	43.1 Å²	43.1	26%	0.263	21%	0.207	S	C	.	.			trans	-95.8	-43	-169.5	-176.3	-100.9	0	0	0	113	M341 V343 K348 D448	M341-Y345 HydrophobicContact CE-CG 4.46Å; V343-Y345 HydrophobicContact CG2-CD2 4.46Å; Y345-K348 PolarHBondContact O-NZ 3.34Å; Y345-D448 PolarHBondContact N-OD2 3.12Å
346	Y	93.7	Very high	96.9	Very high	102 Å²	102	43.4 Å²	43.4	40%	0.4	21%	0.208	S	C	.	.	S	Bend	trans	-84.8	-40.9	-171.7	-61	-78.2	0	0	0	111.9	D448 Y449	Y346-D448 WeakPolarHBondContact CA-OD1 3.03Å; Y346-D448 WeakPolarHBondContact CB-OD1 3.48Å; Y346-D448 HydrophobicContact CD2-CB 3.92Å; Y346-D448 PolarHBondContact N-OD1 3.37Å; Y346-D448 PolarHBondContact N-OD2 2.95Å; Y346-Y449 HydrophobicContact CE2-CE2 4.15Å
347	A	90.8	Very high	96.9	Very high	22 Å²	22	43.7 Å²	43.7	18%	0.182	21%	0.21	C	C	.	.	S	Bend	trans	-59.1	142.9	170.3	0	0	0	0	0	110.6	V344 P349 S350 D448	V344-A347 HydrophobicContact CG1-CB 3.53Å; A347-P349 CarbonylContact O-C 3.33Å; A347-P349 VanDerWaalsContact O-C 3.3Å; A347-S350 PolarHBondContact O-N 3.38Å; A347-D448 PolarHBondContact N-OD1 3.24Å
348	K	91.1	Very high	96.9	Very high	161 Å²	161	47.9 Å²	47.9	70%	0.7	23%	0.232	S	C	*	.	S	Bend	trans	-114.4	129.6	-179.1	-59.4	-57	176.7	-159.7	0	110.6	Y345	Y345-K348 PolarHBondContact O-NZ 3.34Å
349	P	94.8	Very high	96.9	Very high	116 Å²	116	47.7 Å²	47.7	75%	0.753	23%	0.233	S	C	*	.	S	Bend	cis	-70.2	151.5	-3.1	31.3	-35.6	0	0	0	112.3	A347	A347-P349 CarbonylContact O-C 3.33Å; A347-P349 VanDerWaalsContact O-C 3.3Å
350	S	95	Very high	97	Very high	56 Å²	56	47.4 Å²	47.4	39%	0.392	23%	0.231	S	C	.	.			trans	-67.3	143.5	170.8	178.7	0	0	0	0	109.6	V344 A347	V344-S350 WeakPolarHBondContact O-CA 3.45Å; V344-S350 WeakPolarHBondContact O-CB 3.38Å; V344-S350 PolarHBondContact O-OG 3.29Å; A347-S350 PolarHBondContact O-N 3.38Å
351	R	97.4	Very high	97	Very high	130 Å²	130	49.4 Å²	49.4	49%	0.491	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.6	-178.6	62.7	175.7	-176.3	81.9	-3	111.7	V343 V344	V343-R351 CarbonylContact C-O 3.49Å; V343-R351 VanDerWaalsContact CA-O 3.29Å; V343-R351 WeakPolarHBondContact CA-O 3.39Å; V343-R351 WeakPolarHBondContact CB-O 3.47Å; V344-R351 HydrophobicContact CB-CG 3.99Å; V344-R351 HydrophobicContact CG2-CG 4.13Å; V344-R351 PolarHBondContact N-O 2.82Å; V344-R351 PolarHBondContact O-N 3.45Å; V344-R351 VanDerWaalsContact O-N 3.12Å
352	Y	98	Very high	97	Very high	126 Å²	126	50.7 Å²	50.7	49%	0.494	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	144.5	170.5	-175.1	-107.7	0	0	0	111.3	P342 G354 F388	P342-Y352 HydrophobicContact CB-CE2 3.97Å; P342-Y352 HydrophobicContact CG-CE2 4.07Å; P342-Y352 WeakPolarHBondContact O-CD2 3.45Å; P342-Y352 VanDerWaalsContact O-CE2 3.31Å; P342-Y352 WeakPolarHBondContact O-CE2 3.42Å; Y352-G354 WeakPolarHBondContact OH-CA 3.36Å; Y352-F388 HydrophobicContact CE2-CE1 4.5Å
353	W	98.1	Very high	97.1	Very high	17 Å²	17	50.5 Å²	50.5	6%	0.064	25%	0.248	C	C	.	.			trans	-153.4	97.8	175.3	-178.9	71.5	0	0	0	108.8	I319 P342 V344 D355 I356 G447 F450 L451	I319-W353 HydrophobicContact CD1-CH2 3.53Å; I319-W353 HydrophobicContact CD1-CZ2 3.9Å; I319-W353 HydrophobicContact CG1-CH2 4.05Å; I319-W353 HydrophobicContact CG1-CZ2 3.91Å; P342-W353 CarbonylContact C-O 3.55Å; P342-W353 WeakPolarHBondContact CA-O 3.4Å; P342-W353 WeakPolarHBondContact CB-O 2.95Å; P342-W353 CarbonylContact O-C 3.49Å; P342-W353 PolarHBondContact O-N 3.27Å; P342-W353 VanDerWaalsContact O-O 3.09Å; V344-W353 HydrophobicContact CG2-CB 3.88Å; V344-W353 HydrophobicContact CG2-CG 4.25Å; W353-D355 HydrophobicContact CH2-CB 4.14Å; W353-D355 HydrophobicContact CZ2-CB 3.77Å; W353-D355 WeakPolarHBondContact CZ2-OD2 3.14Å; W353-D355 VanDerWaalsContact NE1-CG 3.32Å; W353-D355 PolarHBondContact NE1-OD1 2.92Å; W353-D355 PolarHBondContact NE1-OD2 2.96Å; W353-D355 VanDerWaalsContact NE1-OD2 3.09Å; W353-I356 HydrophobicContact CH2-CD1 4.18Å; W353-I356 HydrophobicContact CH2-CG1 4.17Å; W353-I356 HydrophobicContact CZ3-CD1 3.95Å; W353-I356 HydrophobicContact CZ3-CG1 4.1Å; W353-G447 VanDerWaalsContact CZ3-CA 3.45Å; W353-F450 HydrophobicContact CH2-CB 4.07Å; W353-F450 AromaticContact CH2-CD2 3.68Å; W353-F450 HydrophobicContact CH2-CD2 3.68Å; W353-F450 HydrophobicContact CH2-CE2 4.42Å; W353-F450 AromaticContact CH2-CG 4Å; W353-F450 HydrophobicContact CH2-CG 4Å; W353-F450 HydrophobicContact CZ2-CB 4.35Å; W353-F450 AromaticContact CZ3-CD2 3.99Å; W353-F450 HydrophobicContact CZ3-CD2 3.99Å; W353-L451 HydrophobicContact CG-CD1 4.38Å
354	G	98.3	Very high	97.1	Very high	4 Å²	4	50 Å²	50	4%	0.041	25%	0.245	C	C	.	.			trans	-89.9	-7.5	-164.2	0	0	0	0	0	116.1	Y352 I356 D357 D358	Y352-G354 WeakPolarHBondContact OH-CA 3.36Å; G354-I356 VanDerWaalsContact C-N 3.29Å; G354-I356 CarbonylContact O-C 3.57Å; G354-I356 PolarHBondContact O-N 2.76Å; G354-D357 CarbonylContact O-C 3.58Å; G354-D357 WeakPolarHBondContact O-CA 3.19Å; G354-D357 WeakPolarHBondContact O-CB 3.49Å; G354-D357 PolarHBondContact O-N 3.05Å; G354-D358 PolarHBondContact O-N 2.73Å
355	D	98.6	Very high	97.1	Very high	64 Å²	64	56 Å²	56	34%	0.342	27%	0.268	S	S	.	.	H	α-helix	trans	-46.6	-45.7	-163.7	-59.3	14.9	0	0	0	114.6	I319 L323 W353 A359	I319-D355 HydrophobicContact CD1-CB 4.37Å; L323-D355 HydrophobicContact CD1-CB 4.46Å; L323-D355 WeakPolarHBondContact CD2-O 3.39Å; W353-D355 HydrophobicContact CH2-CB 4.14Å; W353-D355 HydrophobicContact CZ2-CB 3.77Å; W353-D355 WeakPolarHBondContact CZ2-OD2 3.14Å; W353-D355 VanDerWaalsContact NE1-CG 3.32Å; W353-D355 PolarHBondContact NE1-OD1 2.92Å; W353-D355 PolarHBondContact NE1-OD2 2.96Å; W353-D355 VanDerWaalsContact NE1-OD2 3.09Å; D355-A359 WeakPolarHBondContact O-CB 3.43Å; D355-A359 PolarHBondContact O-N 3.23Å; D355-A359 VanDerWaalsContact O-N 3.17Å
356	I	98.8	Very high	97.2	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-74.4	-41.9	178.2	-57.5	172.6	0	0	0	111.7	I319 L322 I326 Y340 W353 G354 A359 L360 F445 F450	I319-I356 HydrophobicContact CD1-CD1 4.35Å; I319-I356 HydrophobicContact CD1-CG1 3.87Å; L322-I356 HydrophobicContact CD2-CD1 3.65Å; L322-I356 HydrophobicContact CD2-CG1 4Å; I326-I356 HydrophobicContact CD1-CG2 4.43Å; Y340-I356 HydrophobicContact CE2-CG2 4.46Å; W353-I356 HydrophobicContact CH2-CD1 4.18Å; W353-I356 HydrophobicContact CH2-CG1 4.17Å; W353-I356 HydrophobicContact CZ3-CD1 3.95Å; W353-I356 HydrophobicContact CZ3-CG1 4.1Å; G354-I356 VanDerWaalsContact C-N 3.29Å; G354-I356 CarbonylContact O-C 3.57Å; G354-I356 PolarHBondContact O-N 2.76Å; I356-A359 PolarHBondContact O-N 3.28Å; I356-L360 HydrophobicContact CG2-CD1 4.15Å; I356-L360 HydrophobicContact CG2-CG 4.44Å; I356-L360 VanDerWaalsContact O-CG 3.29Å; I356-L360 WeakPolarHBondContact O-CG 3.28Å; I356-L360 PolarHBondContact O-N 2.94Å; I356-F445 HydrophobicContact CD1-CB 4.11Å; I356-F445 HydrophobicContact CD1-CD1 4.33Å; I356-F445 HydrophobicContact CD1-CD2 4.32Å; I356-F445 HydrophobicContact CD1-CG 4.02Å; I356-F445 HydrophobicContact CG2-CD2 3.73Å; I356-F445 HydrophobicContact CG2-CE2 4.06Å; I356-F445 HydrophobicContact CG2-CG 4.44Å; I356-F450 HydrophobicContact CD1-CD2 4.23Å; I356-F450 HydrophobicContact CD1-CE2 3.5Å; I356-F450 VanDerWaalsContact CD1-CE2 3.5Å; I356-F450 HydrophobicContact CD1-CZ 3.78Å
357	D	98.8	Very high	97.4	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-45.7	177.4	-176.7	48.4	0	0	0	110.8	Y340 P342 G354 A359 L360 R361	Y340-D357 WeakPolarHBondContact OH-CA 3.39Å; Y340-D357 VanDerWaalsContact OH-CB 3.28Å; Y340-D357 WeakPolarHBondContact OH-CB 3.33Å; Y340-D357 VanDerWaalsContact OH-CG 3.31Å; Y340-D357 PolarHBondContact OH-OD1 2.83Å; P342-D357 HydrophobicContact CB-CB 3.8Å; P342-D357 HydrophobicContact CG-CB 4.18Å; G354-D357 CarbonylContact O-C 3.58Å; G354-D357 WeakPolarHBondContact O-CA 3.19Å; G354-D357 WeakPolarHBondContact O-CB 3.49Å; G354-D357 PolarHBondContact O-N 3.05Å; D357-A359 PolarHBondContact O-N 2.82Å; D357-L360 PolarHBondContact O-N 2.89Å; D357-R361 WeakPolarHBondContact O-CB 3.26Å; D357-R361 VanDerWaalsContact O-CG 3.27Å; D357-R361 WeakPolarHBondContact O-CG 3.13Å; D357-R361 PolarHBondContact O-N 2.93Å; D357-R361 IonicContact OD1-CZ 2.67Å; D357-R361 IonicContact OD1-NE 3.01Å; D357-R361 PolarHBondContact OD1-NE 3.28Å; D357-R361 IonicContact OD1-NH2 3.96Å; D357-R361 PolarHBondContact OD1-NH2 2.97Å; D357-R361 IonicContact OD2-CZ 3.74Å; D357-R361 IonicContact OD2-NE 2.86Å; D357-R361 PolarHBondContact OD2-NE 3.38Å; D357-R361 IonicContact OD2-NH2 3.02Å; D357-R361 PolarHBondContact OD2-NH2 2.83Å
358	D	98.8	Very high	97.7	Very high	87 Å²	87	62 Å²	62	47%	0.465	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-44.4	176.6	-67.8	-24.2	0	0	0	111.2	G354 R361 A362	G354-D358 PolarHBondContact O-N 2.73Å; D358-R361 PolarHBondContact O-N 3.1Å; D358-A362 VanDerWaalsContact O-CB 3.26Å; D358-A362 WeakPolarHBondContact O-CB 3.21Å; D358-A362 PolarHBondContact O-N 2.97Å
359	A	98.9	Very high	98.1	Very high	9 Å²	9	54.3 Å²	54.3	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-40.2	178.3	0	0	0	0	0	113.1	L323 I326 D355 I356 D357 A363	L323-A359 HydrophobicContact CD2-CB 3.6Å; I326-A359 HydrophobicContact CB-CB 4.49Å; I326-A359 HydrophobicContact CD1-CB 4.41Å; I326-A359 HydrophobicContact CG2-CB 3.95Å; D355-A359 WeakPolarHBondContact O-CB 3.43Å; D355-A359 PolarHBondContact O-N 3.23Å; D355-A359 VanDerWaalsContact O-N 3.17Å; I356-A359 PolarHBondContact O-N 3.28Å; D357-A359 PolarHBondContact O-N 2.82Å; A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 2.94Å
360	L	98.9	Very high	98.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-42.7	175.5	-68.3	173.3	0	0	0	111.4	I326 V333 V335 Y340 I356 D357 A363 A364 V371 L373	I326-L360 HydrophobicContact CD1-CD2 4.09Å; I326-L360 HydrophobicContact CD1-CG 4.45Å; I326-L360 HydrophobicContact CG1-CD2 4.48Å; I326-L360 HydrophobicContact CG2-CD2 4.3Å; V333-L360 HydrophobicContact CG1-CD2 3.94Å; V335-L360 HydrophobicContact CG2-CD2 4.25Å; Y340-L360 HydrophobicContact CE2-CD1 3.9Å; I356-L360 HydrophobicContact CG2-CD1 4.15Å; I356-L360 HydrophobicContact CG2-CG 4.44Å; I356-L360 VanDerWaalsContact O-CG 3.29Å; I356-L360 WeakPolarHBondContact O-CG 3.28Å; I356-L360 PolarHBondContact O-N 2.94Å; D357-L360 PolarHBondContact O-N 2.89Å; L360-A363 WeakPolarHBondContact O-CB 3.27Å; L360-A363 PolarHBondContact O-N 2.87Å; L360-A364 PolarHBondContact O-N 2.88Å; L360-A364 VanDerWaalsContact O-N 3.16Å; L360-V371 HydrophobicContact CD2-CG1 3.97Å; L360-L373 HydrophobicContact CD1-CD1 4.49Å; L360-L373 HydrophobicContact CD1-CD2 4.37Å
361	R	98.7	Very high	98.5	Very high	44 Å²	44	47.6 Å²	47.6	17%	0.166	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-45.6	176	-71	174.7	-170.9	-82.6	-0.5	111.8	D357 D358 A363 A364 Y365 S391 L392 F395	D357-R361 WeakPolarHBondContact O-CB 3.26Å; D357-R361 VanDerWaalsContact O-CG 3.27Å; D357-R361 WeakPolarHBondContact O-CG 3.13Å; D357-R361 PolarHBondContact O-N 2.93Å; D357-R361 IonicContact OD1-CZ 2.67Å; D357-R361 IonicContact OD1-NE 3.01Å; D357-R361 PolarHBondContact OD1-NE 3.28Å; D357-R361 IonicContact OD1-NH2 3.96Å; D357-R361 PolarHBondContact OD1-NH2 2.97Å; D357-R361 IonicContact OD2-CZ 3.74Å; D357-R361 IonicContact OD2-NE 2.86Å; D357-R361 PolarHBondContact OD2-NE 3.38Å; D357-R361 IonicContact OD2-NH2 3.02Å; D357-R361 PolarHBondContact OD2-NH2 2.83Å; D358-R361 PolarHBondContact O-N 3.1Å; R361-A363 VanDerWaalsContact C-N 3.34Å; R361-A363 PolarHBondContact O-N 3.5Å; R361-A364 PolarHBondContact O-N 2.8Å; R361-Y365 WeakPolarHBondContact O-CB 3.38Å; R361-Y365 PolarHBondContact O-N 3.37Å; R361-S391 PolarHBondContact NH2-OG 2.96Å; R361-S391 VanDerWaalsContact NH2-OG 3.11Å; R361-L392 HydrophobicContact CG-CD1 3.85Å; R361-F395 HydrophobicContact CB-CE1 3.85Å; R361-F395 HydrophobicContact CB-CZ 3.78Å; R361-F395 HydrophobicContact CG-CD1 4.04Å; R361-F395 HydrophobicContact CG-CE1 3.76Å; R361-F395 HydrophobicContact CG-CZ 4.02Å; R361-F395 VanDerWaalsContact NH1-CG 3.32Å
362	A	98.8	Very high	98.5	Very high	27 Å²	27	43.2 Å²	43.2	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-40.1	176.5	0	0	0	0	0	111.8	D358 A364 D366	D358-A362 VanDerWaalsContact O-CB 3.26Å; D358-A362 WeakPolarHBondContact O-CB 3.21Å; D358-A362 PolarHBondContact O-N 2.97Å; A362-A364 PolarHBondContact O-N 3.18Å; A362-D366 VanDerWaalsContact O-CB 3.28Å; A362-D366 WeakPolarHBondContact O-CB 3.33Å; A362-D366 PolarHBondContact O-N 3.28Å
363	A	98.7	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.1	-49	174.3	0	0	0	0	0	112	I326 A359 L360 R361 R367 K368 V369 V371	I326-A363 HydrophobicContact CG2-CB 4.22Å; A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 2.94Å; L360-A363 WeakPolarHBondContact O-CB 3.27Å; L360-A363 PolarHBondContact O-N 2.87Å; R361-A363 VanDerWaalsContact C-N 3.34Å; R361-A363 PolarHBondContact O-N 3.5Å; A363-R367 VanDerWaalsContact CB-NH2 3.27Å; A363-R367 CarbonylContact O-C 3.58Å; A363-R367 PolarHBondContact O-N 3.4Å; A363-K368 PolarHBondContact O-N 3.02Å; A363-V369 HydrophobicContact CB-CB 4.15Å; A363-V369 HydrophobicContact CB-CG1 4.43Å; A363-V369 WeakPolarHBondContact O-CB 3.49Å; A363-V369 PolarHBondContact O-N 2.64Å; A363-V371 HydrophobicContact CB-CG2 4.38Å
364	A	98.7	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70.1	-44.6	179.8	0	0	0	0	0	112.8	L360 R361 A362 K368 V369 V371 F395 L399 M403 V404	L360-A364 PolarHBondContact O-N 2.88Å; L360-A364 VanDerWaalsContact O-N 3.16Å; R361-A364 PolarHBondContact O-N 2.8Å; A362-A364 PolarHBondContact O-N 3.18Å; A364-K368 WeakPolarHBondContact O-CA 3.49Å; A364-K368 PolarHBondContact O-N 2.67Å; A364-V369 WeakPolarHBondContact CA-O 2.92Å; A364-V371 HydrophobicContact CB-CG2 4.22Å; A364-F395 HydrophobicContact CB-CE1 4.3Å; A364-L399 HydrophobicContact CB-CD1 4.11Å; A364-M403 HydrophobicContact CB-CE 4.24Å; A364-M403 VanDerWaalsContact O-CE 3.22Å; A364-M403 WeakPolarHBondContact O-CE 3.37Å; A364-V404 HydrophobicContact CB-CG2 3.75Å
365	Y	98.5	Very high	98.6	Very high	130 Å²	130	36.2 Å²	36.2	51%	0.51	18%	0.175	S	C	.	.	H	α-helix	trans	-77.2	-55.4	-174.6	-170.6	-91.1	0	0	0	112.7	R361 K368 L399	R361-Y365 WeakPolarHBondContact O-CB 3.38Å; R361-Y365 PolarHBondContact O-N 3.37Å; Y365-K368 WeakPolarHBondContact O-CE 3.42Å; Y365-K368 PolarHBondContact O-NZ 2.98Å; Y365-L399 HydrophobicContact CD2-CD1 4.26Å; Y365-L399 HydrophobicContact CD2-CD2 3.59Å; Y365-L399 HydrophobicContact CE2-CD2 4.01Å
366	D	98.2	Very high	98.6	Very high	112 Å²	112	33.2 Å²	33.2	60%	0.599	16%	0.159	S	C	*	.	H	α-helix	trans	-77.4	-41.4	-170.6	-58.4	-32	0	0	0	111.4	A362	A362-D366 VanDerWaalsContact O-CB 3.28Å; A362-D366 WeakPolarHBondContact O-CB 3.33Å; A362-D366 PolarHBondContact O-N 3.28Å
367	R	97.9	Very high	98.5	Very high	76 Å²	76	37.2 Å²	37.2	29%	0.287	18%	0.176	S	C	.	.	H	α-helix	trans	-107.7	-2.8	-170	-58.4	-167.6	-58.1	-74.5	4.7	114.2	I326 N327 A363 V369	I326-R367 PolarHBondContact O-NH2 2.84Å; N327-R367 PolarHBondContact O-NE 3.24Å; A363-R367 VanDerWaalsContact CB-NH2 3.27Å; A363-R367 CarbonylContact O-C 3.58Å; A363-R367 PolarHBondContact O-N 3.4Å; R367-V369 HydrophobicContact CB-CG2 3.82Å; R367-V369 PolarHBondContact O-N 3.25Å
368	K	97.7	Very high	98.4	Very high	129 Å²	129	39 Å²	39	56%	0.561	18%	0.182	S	C	*	.			trans	54.2	33.7	-176.9	-50.6	-53	-177.9	-160.7	0	113.2	A363 A364 Y365 M403	A363-K368 PolarHBondContact O-N 3.02Å; A364-K368 WeakPolarHBondContact O-CA 3.49Å; A364-K368 PolarHBondContact O-N 2.67Å; Y365-K368 WeakPolarHBondContact O-CE 3.42Å; Y365-K368 PolarHBondContact O-NZ 2.98Å; K368-M403 HydrophobicContact CB-CE 4.37Å; K368-M403 HydrophobicContact CD-CE 4.5Å
369	V	98.6	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.			trans	-77.4	131.9	174.9	174.3	0	0	0	0	108.9	A329 V333 A363 A364 R367	A329-V369 HydrophobicContact CB-CG1 4.35Å; A329-V369 WeakPolarHBondContact O-CG2 3.48Å; V333-V369 HydrophobicContact CB-CG1 4.48Å; V333-V369 HydrophobicContact CG2-CG1 3.85Å; A363-V369 HydrophobicContact CB-CB 4.15Å; A363-V369 HydrophobicContact CB-CG1 4.43Å; A363-V369 WeakPolarHBondContact O-CB 3.49Å; A363-V369 PolarHBondContact O-N 2.64Å; A364-V369 WeakPolarHBondContact CA-O 2.92Å; R367-V369 HydrophobicContact CB-CG2 3.82Å; R367-V369 PolarHBondContact O-N 3.25Å
370	S	98.7	Very high	97.9	Very high	30 Å²	30	45.3 Å²	45.3	21%	0.21	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.3	174.9	-178.1	0	0	0	0	110	R331 F332 V333 D402	R331-S370 PolarHBondContact O-N 3.45Å; F332-S370 CarbonylContact C-O 3.15Å; F332-S370 WeakPolarHBondContact CA-O 3.38Å; F332-S370 WeakPolarHBondContact CB-O 3.42Å; V333-S370 PolarHBondContact N-O 3.24Å; S370-D402 PolarHBondContact OG-O 3.46Å
371	V	98.9	Very high	97.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124	-176.9	176.5	0	0	0	0	109.5	V333 L360 A363 A364 L373 M403 V404 Q405	V333-V371 HydrophobicContact CB-CG2 4.45Å; V333-V371 WeakPolarHBondContact O-CA 3.21Å; L360-V371 HydrophobicContact CD2-CG1 3.97Å; A363-V371 HydrophobicContact CB-CG2 4.38Å; A364-V371 HydrophobicContact CB-CG2 4.22Å; V371-L373 HydrophobicContact CG1-CD1 3.39Å; V371-M403 PolarHBondContact N-O 3.19Å; V371-V404 HydrophobicContact CB-CG1 4.2Å; V371-V404 HydrophobicContact CB-CG2 4.25Å; V371-V404 HydrophobicContact CG1-CG1 4.11Å; V371-V404 CarbonylContact O-C 3.57Å; V371-V404 VanDerWaalsContact O-CA 3.27Å; V371-V404 WeakPolarHBondContact O-CA 3.45Å; V371-Q405 PolarHBondContact O-N 2.77Å
372	K	98.8	Very high	97.6	Very high	39 Å²	39	47.3 Å²	47.3	17%	0.17	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.9	174.8	-64.2	-174.5	171.4	-175.8	0	110.8	V333 N334 V335 Q405 F484 W488	V333-K372 PolarHBondContact O-N 2.66Å; N334-K372 CarbonylContact C-O 3.3Å; N334-K372 WeakPolarHBondContact CA-O 3.43Å; N334-K372 WeakPolarHBondContact OD1-CB 3.48Å; V335-K372 PolarHBondContact N-O 3.48Å; K372-Q405 CarbonylContact C-O 3.59Å; K372-Q405 VanDerWaalsContact CA-O 3.31Å; K372-Q405 WeakPolarHBondContact CA-O 3.13Å; K372-Q405 HydrophobicContact CG-CB 4.33Å; K372-F484 HydrophobicContact CB-CE1 3.95Å; K372-F484 HydrophobicContact CB-CZ 3.67Å; K372-F484 HydrophobicContact CD-CE1 4.08Å; K372-W488 HydrophobicContact CB-CE3 4.26Å; K372-W488 HydrophobicContact CB-CH2 3.87Å; K372-W488 HydrophobicContact CB-CZ2 4.46Å; K372-W488 HydrophobicContact CB-CZ3 3.75Å; K372-W488 HydrophobicContact CD-CD2 4.2Å; K372-W488 HydrophobicContact CD-CE3 4.44Å; K372-W488 HydrophobicContact CD-CH2 4.15Å; K372-W488 HydrophobicContact CD-CZ2 3.89Å; K372-W488 HydrophobicContact CD-CZ3 4.42Å; K372-W488 HydrophobicContact CG-CH2 4.03Å; K372-W488 HydrophobicContact CG-CZ2 4.19Å; K372-W488 HydrophobicContact CG-CZ3 4.36Å
373	L	98.8	Very high	97.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.7	175.7	-73.4	72.5	0	0	0	109.7	V335 Y340 L360 V371 I375 L389 L392 V404 Q405 I406 K407	V335-L373 HydrophobicContact CB-CG 4.27Å; V335-L373 WeakPolarHBondContact O-CA 3.25Å; Y340-L373 HydrophobicContact CD2-CD2 4.15Å; Y340-L373 HydrophobicContact CE2-CD2 4.2Å; Y340-L373 HydrophobicContact CG-CD2 4.3Å; L360-L373 HydrophobicContact CD1-CD1 4.49Å; L360-L373 HydrophobicContact CD1-CD2 4.37Å; V371-L373 HydrophobicContact CG1-CD1 3.39Å; L373-I375 HydrophobicContact CB-CD1 3.96Å; L373-I375 HydrophobicContact CB-CG1 4.04Å; L373-I375 HydrophobicContact CD2-CD1 4.23Å; L373-I375 HydrophobicContact CG-CD1 4.48Å; L373-L389 HydrophobicContact CD2-CD2 4.41Å; L373-L392 HydrophobicContact CD1-CD2 4.14Å; L373-L392 HydrophobicContact CD2-CD2 3.72Å; L373-V404 HydrophobicContact CD1-CG1 4.38Å; L373-Q405 PolarHBondContact N-O 3.34Å; L373-I406 HydrophobicContact CB-CG1 4.19Å; L373-I406 HydrophobicContact CB-CG2 4.25Å; L373-I406 WeakPolarHBondContact O-CA 3.37Å; L373-K407 PolarHBondContact O-N 3.23Å
374	L	98.8	Very high	97.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	101.5	171	-168.1	63.4	0	0	0	108.8	V335 A336 V337 K407 F409 F484 D487 W488 A493	V335-L374 PolarHBondContact O-N 3.21Å; A336-L374 WeakPolarHBondContact CA-O 3.36Å; A336-L374 HydrophobicContact CB-CB 4.32Å; V337-L374 PolarHBondContact N-O 2.04Å; L374-K407 WeakPolarHBondContact CA-O 3.26Å; L374-K407 HydrophobicContact CD1-CB 3.8Å; L374-F409 HydrophobicContact CD1-CB 3.99Å; L374-F409 HydrophobicContact CD1-CD2 3.98Å; L374-F409 HydrophobicContact CD1-CG 4.49Å; L374-F409 HydrophobicContact CD2-CD2 3.75Å; L374-F409 HydrophobicContact CD2-CE2 4.36Å; L374-F409 HydrophobicContact CD2-CG 4.47Å; L374-F409 HydrophobicContact CG-CB 4Å; L374-F409 HydrophobicContact CG-CD2 4.04Å; L374-F409 HydrophobicContact CG-CG 4.42Å; L374-F484 HydrophobicContact CB-CE2 3.92Å; L374-F484 HydrophobicContact CB-CZ 4.39Å; L374-D487 HydrophobicContact CD2-CB 3.68Å; L374-W488 HydrophobicContact CB-CE3 4.38Å; L374-W488 HydrophobicContact CD1-CE3 4.2Å; L374-A493 HydrophobicContact CD1-CB 3.82Å
375	I	98.7	Very high	97	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.9	-169.9	-52.2	-58.2	0	0	0	110.5	V337 L373 M385 L389 I406 K407 L408 F409	V337-I375 HydrophobicContact CG1-CD1 3.54Å; V337-I375 WeakPolarHBondContact O-CA 3.48Å; L373-I375 HydrophobicContact CB-CD1 3.96Å; L373-I375 HydrophobicContact CB-CG1 4.04Å; L373-I375 HydrophobicContact CD2-CD1 4.23Å; L373-I375 HydrophobicContact CG-CD1 4.48Å; I375-M385 HydrophobicContact CG2-CE 3.45Å; I375-M385 VanDerWaalsContact CG2-CE 3.45Å; I375-M385 HydrophobicContact CG2-SD 3.59Å; I375-M385 VanDerWaalsContact CG2-SD 3.59Å; I375-L389 HydrophobicContact CB-CD1 4.29Å; I375-L389 HydrophobicContact CG1-CD1 4.25Å; I375-L389 HydrophobicContact CG1-CD2 3.87Å; I375-L389 HydrophobicContact CG2-CD1 4.14Å; I375-I406 HydrophobicContact CG1-CG2 4.39Å; I375-K407 PolarHBondContact N-O 2.85Å; I375-L408 HydrophobicContact CB-CD2 4.3Å; I375-L408 CarbonylContact O-C 3.54Å; I375-L408 VanDerWaalsContact O-CA 3.27Å; I375-L408 WeakPolarHBondContact O-CA 3.43Å; I375-F409 PolarHBondContact O-N 2.98Å
376	S	98.3	Very high	96.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.6	179.8	-167.2	0	0	0	0	112.4	V337 M338 V426 N427	V337-S376 PolarHBondContact O-N 3.03Å; M338-S376 PolarHBondContact O-N 2.89Å; S376-V426 WeakPolarHBondContact OG-CG2 3.3Å; S376-N427 WeakPolarHBondContact CB-O 3.29Å; S376-N427 PolarHBondContact OG-N 3.09Å; S376-N427 VanDerWaalsContact OG-N 3.14Å; S376-N427 PolarHBondContact OG-O 2.87Å
377	K	97.6	Very high	96.8	Very high	91 Å²	91	50.4 Å²	50.4	40%	0.396	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.8	167.1	176.3	-175.1	-179.2	179.5	0	109.2	L408 F409	K377-L408 HydrophobicContact CB-CB 4.07Å; K377-L408 HydrophobicContact CB-CD1 4.45Å; K377-L408 HydrophobicContact CD-CD1 3.97Å; K377-F409 PolarHBondContact N-O 2.94Å
378	W	95.7	Very high	96.7	Very high	44 Å²	44	48.9 Å²	48.9	17%	0.167	24%	0.242	C	C	.	.	S	Bend	trans	-157.1	177.2	-175.9	67.9	-50.6	0	0	0	111.5	M338 H380 T381 V426	M338-W378 HydrophobicContact CE-CZ2 4.28Å; M338-W378 HydrophobicContact CG-CZ2 4.38Å; M338-W378 HydrophobicContact SD-CH2 4.12Å; M338-W378 HydrophobicContact SD-CZ2 3.44Å; M338-W378 WeakPolarHBondContact SD-CZ2 3.41Å; W378-H380 HydrophobicContact CD2-CB 3.97Å; W378-H380 HydrophobicContact CE3-CB 4.18Å; W378-H380 AromaticContact CE3-CD2 3.5Å; W378-H380 HydrophobicContact CH2-CB 3.92Å; W378-H380 AromaticContact CH2-CD2 3.91Å; W378-H380 HydrophobicContact CZ2-CB 3.66Å; W378-H380 HydrophobicContact CZ3-CB 4.18Å; W378-H380 AromaticContact CZ3-CD2 3.4Å; W378-H380 VanDerWaalsContact CZ3-CD2 3.4Å; W378-H380 WeakPolarHBondContact CZ3-CD2 3.47Å; W378-H380 PolarHBondContact O-N 3.1Å; W378-T381 PolarHBondContact N-OG1 2.95Å; W378-T381 WeakPolarHBondContact O-CB 3.32Å; W378-T381 PolarHBondContact O-N 3.41Å; W378-T381 VanDerWaalsContact O-N 3.12Å; W378-T381 PolarHBondContact O-OG1 2.69Å; W378-V426 HydrophobicContact CB-CB 4.23Å; W378-V426 HydrophobicContact CB-CG2 4.22Å; W378-V426 HydrophobicContact CD2-CB 3.64Å; W378-V426 HydrophobicContact CD2-CG1 4.48Å; W378-V426 HydrophobicContact CD2-CG2 3.3Å; W378-V426 HydrophobicContact CE3-CB 3.4Å; W378-V426 HydrophobicContact CE3-CG1 3.89Å; W378-V426 HydrophobicContact CE3-CG2 3.58Å; W378-V426 HydrophobicContact CG-CB 4.03Å; W378-V426 HydrophobicContact CG-CG2 3.61Å; W378-V426 HydrophobicContact CH2-CB 4.49Å; W378-V426 HydrophobicContact CH2-CG1 4.37Å; W378-V426 HydrophobicContact CH2-CG2 4.19Å; W378-V426 HydrophobicContact CZ2-CG2 3.97Å; W378-V426 HydrophobicContact CZ3-CB 3.85Å; W378-V426 HydrophobicContact CZ3-CG1 3.8Å; W378-V426 HydrophobicContact CZ3-CG2 3.99Å
379	N	92.9	Very high	96.7	Very high	159 Å²	159	42.7 Å²	42.7	85%	0.85	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.2	-173.9	-71.9	-8.6	0	0	0	114.9
380	H	94.4	Very high	96.6	Very high	70 Å²	70	44.1 Å²	44.1	32%	0.324	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	5.6	-179.9	-57.9	-82.2	0	0	0	113.9	W378 K382 F423	W378-H380 HydrophobicContact CD2-CB 3.97Å; W378-H380 HydrophobicContact CE3-CB 4.18Å; W378-H380 AromaticContact CE3-CD2 3.5Å; W378-H380 HydrophobicContact CH2-CB 3.92Å; W378-H380 AromaticContact CH2-CD2 3.91Å; W378-H380 HydrophobicContact CZ2-CB 3.66Å; W378-H380 HydrophobicContact CZ3-CB 4.18Å; W378-H380 AromaticContact CZ3-CD2 3.4Å; W378-H380 VanDerWaalsContact CZ3-CD2 3.4Å; W378-H380 WeakPolarHBondContact CZ3-CD2 3.47Å; W378-H380 PolarHBondContact O-N 3.1Å; H380-K382 PolarHBondContact O-N 2.98Å; H380-F423 AromaticContact CD2-CD1 3.84Å; H380-F423 AromaticContact CE1-CD1 3.58Å; H380-F423 AromaticContact CE1-CE1 3.32Å; H380-F423 WeakPolarHBondContact CE1-CE1 3.36Å; H380-F423 AromaticContact ND1-CE1 3.74Å; H380-F423 AromaticContact NE2-CD1 3.42Å; H380-F423 WeakPolarHBondContact NE2-CD1 3.37Å; H380-F423 AromaticContact NE2-CE1 3.69Å
381	T	95.7	Very high	96.5	Very high	20 Å²	20	45.6 Å²	45.6	12%	0.123	23%	0.232	C	C	.	.			trans	-56.5	129.3	179.2	-51.1	0	0	0	0	111.2	W378 M385 Y386	W378-T381 PolarHBondContact N-OG1 2.95Å; W378-T381 WeakPolarHBondContact O-CB 3.32Å; W378-T381 PolarHBondContact O-N 3.41Å; W378-T381 VanDerWaalsContact O-N 3.12Å; W378-T381 PolarHBondContact O-OG1 2.69Å; T381-M385 HydrophobicContact CG2-CE 3.29Å; T381-M385 HydrophobicContact CG2-SD 4.48Å; T381-Y386 HydrophobicContact CG2-CE2 4.1Å
382	K	94.8	Very high	96.4	Very high	66 Å²	66	45.6 Å²	45.6	29%	0.287	23%	0.232	S	C	.	.			trans	-75.7	128.8	177	-54.6	-51.1	177.9	-156.8	0	110.3	M341 H380 M384 M385	M341-K382 HydrophobicContact CE-CB 4.46Å; M341-K382 HydrophobicContact CE-CG 4.02Å; M341-K382 HydrophobicContact SD-CB 3.76Å; M341-K382 HydrophobicContact SD-CG 3.98Å; H380-K382 PolarHBondContact O-N 2.98Å; K382-M384 PolarHBondContact O-N 2.7Å; K382-M385 WeakPolarHBondContact O-CB 3.2Å; K382-M385 PolarHBondContact O-N 2.73Å
383	L	93.8	Very high	96.2	Very high	150 Å²	150	45.7 Å²	45.7	79%	0.785	24%	0.238	S	C	*	.	H	α-helix	trans	-57.5	-36	-179.9	-67.1	177.4	0	0	0	113	M385 Y386	L383-M385 PolarHBondContact O-N 2.93Å; L383-Y386 HydrophobicContact CD2-CD2 4.44Å; L383-Y386 HydrophobicContact CD2-CE2 4.31Å; L383-Y386 WeakPolarHBondContact O-CD2 3.46Å; L383-Y386 PolarHBondContact O-N 3.48Å
384	M	94.4	Very high	96.1	Very high	99 Å²	99	48.9 Å²	48.9	49%	0.488	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-28.9	177.8	-177.6	-179.2	-75.3	0	0	113.1	K382 Y386 G387 F388	K382-M384 PolarHBondContact O-N 2.7Å; M384-Y386 VanDerWaalsContact C-N 3.25Å; M384-Y386 PolarHBondContact O-N 3.08Å; M384-G387 PolarHBondContact O-N 3.22Å; M384-G387 VanDerWaalsContact O-N 3.12Å; M384-F388 HydrophobicContact CG-CD2 4.03Å; M384-F388 HydrophobicContact CG-CE2 3.5Å; M384-F388 HydrophobicContact CG-CZ 4.32Å; M384-F388 WeakPolarHBondContact O-CD2 3.45Å; M384-F388 PolarHBondContact O-N 3.02Å; M384-F388 HydrophobicContact SD-CE2 3.72Å; M384-F388 HydrophobicContact SD-CZ 4.26Å
385	M	96.5	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.5	-41.7	177.6	-177.8	169.6	86.1	0	0	111.4	Y340 M341 I375 T381 K382 L383 G387 F388 L389	Y340-M385 VanDerWaalsContact O-CG 3.31Å; Y340-M385 WeakPolarHBondContact O-CG 3.05Å; M341-M385 HydrophobicContact CG-CB 4.01Å; M341-M385 HydrophobicContact CG-CG 4.33Å; M341-M385 HydrophobicContact SD-CB 4.38Å; I375-M385 HydrophobicContact CG2-CE 3.45Å; I375-M385 VanDerWaalsContact CG2-CE 3.45Å; I375-M385 HydrophobicContact CG2-SD 3.59Å; I375-M385 VanDerWaalsContact CG2-SD 3.59Å; T381-M385 HydrophobicContact CG2-CE 3.29Å; T381-M385 HydrophobicContact CG2-SD 4.48Å; K382-M385 WeakPolarHBondContact O-CB 3.2Å; K382-M385 PolarHBondContact O-N 2.73Å; L383-M385 PolarHBondContact O-N 2.93Å; M385-G387 VanDerWaalsContact C-N 3.28Å; M385-G387 PolarHBondContact O-N 2.7Å; M385-F388 PolarHBondContact O-N 2.89Å; M385-L389 HydrophobicContact CE-CD1 4.17Å; M385-L389 HydrophobicContact CG-CD1 3.83Å; M385-L389 HydrophobicContact CG-CG 4.1Å; M385-L389 WeakPolarHBondContact O-CG 3.14Å; M385-L389 PolarHBondContact O-N 3.18Å
386	Y	96.4	Very high	95.9	Very high	53 Å²	53	51 Å²	51	21%	0.208	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-37.6	179.3	-62	-63.3	0	0	0	112.2	T381 L383 M384 F388 L389 H390 L408	T381-Y386 HydrophobicContact CG2-CE2 4.1Å; L383-Y386 HydrophobicContact CD2-CD2 4.44Å; L383-Y386 HydrophobicContact CD2-CE2 4.31Å; L383-Y386 WeakPolarHBondContact O-CD2 3.46Å; L383-Y386 PolarHBondContact O-N 3.48Å; M384-Y386 VanDerWaalsContact C-N 3.25Å; M384-Y386 PolarHBondContact O-N 3.08Å; Y386-F388 PolarHBondContact O-N 2.77Å; Y386-L389 PolarHBondContact O-N 2.95Å; Y386-H390 WeakPolarHBondContact O-CB 3.3Å; Y386-H390 PolarHBondContact O-CD2 3.47Å; Y386-H390 PolarHBondContact O-N 2.86Å; Y386-L408 HydrophobicContact CE1-CD1 3.81Å; Y386-L408 HydrophobicContact CE1-CD2 4.4Å
387	G	95.2	Very high	95.7	Very high	32 Å²	32	54.3 Å²	54.3	33%	0.33	30%	0.301	S	S	.	.	H	α-helix	trans	-59.7	-44.7	176.3	0	0	0	0	0	112.8	M384 M385 S391	M384-G387 PolarHBondContact O-N 3.22Å; M384-G387 VanDerWaalsContact O-N 3.12Å; M385-G387 VanDerWaalsContact C-N 3.28Å; M385-G387 PolarHBondContact O-N 2.7Å; G387-S391 PolarHBondContact O-N 2.98Å
388	F	97	Very high	95.6	Very high	44 Å²	44	54.4 Å²	54.4	19%	0.193	31%	0.313	C	S	.	.	H	α-helix	trans	-68.8	-42	177.2	-66.5	-62	0	0	0	112.5	Y340 M341 P342 V343 Y352 M384 M385 Y386 H390 S391 L392	Y340-F388 HydrophobicContact CE1-CB 4.32Å; M341-F388 HydrophobicContact CB-CD2 4.36Å; M341-F388 HydrophobicContact CB-CE2 4.45Å; P342-F388 VanDerWaalsContact CD-CG 3.47Å; P342-F388 HydrophobicContact CG-CB 4.3Å; P342-F388 HydrophobicContact CG-CD1 3.46Å; P342-F388 VanDerWaalsContact CG-CD1 3.46Å; P342-F388 HydrophobicContact CG-CD2 4.27Å; P342-F388 HydrophobicContact CG-CE1 3.71Å; P342-F388 HydrophobicContact CG-CE2 4.44Å; P342-F388 HydrophobicContact CG-CG 3.78Å; P342-F388 HydrophobicContact CG-CZ 4.2Å; V343-F388 HydrophobicContact CG1-CE2 3.82Å; V343-F388 HydrophobicContact CG1-CZ 3.52Å; Y352-F388 HydrophobicContact CE2-CE1 4.5Å; M384-F388 HydrophobicContact CG-CD2 4.03Å; M384-F388 HydrophobicContact CG-CE2 3.5Å; M384-F388 HydrophobicContact CG-CZ 4.32Å; M384-F388 WeakPolarHBondContact O-CD2 3.45Å; M384-F388 PolarHBondContact O-N 3.02Å; M384-F388 HydrophobicContact SD-CE2 3.72Å; M384-F388 HydrophobicContact SD-CZ 4.26Å; M385-F388 PolarHBondContact O-N 2.89Å; Y386-F388 PolarHBondContact O-N 2.77Å; F388-H390 PolarHBondContact O-N 3.45Å; F388-S391 WeakPolarHBondContact O-CB 3.46Å; F388-S391 PolarHBondContact O-N 3.17Å; F388-L392 PolarHBondContact O-N 3.28Å
389	L	97.5	Very high	95.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-40.6	177.5	-63.3	176.9	0	0	0	111.8	Y340 L373 I375 M385 Y386 L392 S393 I406 L408 M496	Y340-L389 HydrophobicContact CD1-CD2 3.46Å; Y340-L389 VanDerWaalsContact CD1-CD2 3.46Å; Y340-L389 HydrophobicContact CD1-CG 4.35Å; Y340-L389 HydrophobicContact CE1-CD2 4.1Å; Y340-L389 HydrophobicContact CG-CD2 4.16Å; L373-L389 HydrophobicContact CD2-CD2 4.41Å; I375-L389 HydrophobicContact CB-CD1 4.29Å; I375-L389 HydrophobicContact CG1-CD1 4.25Å; I375-L389 HydrophobicContact CG1-CD2 3.87Å; I375-L389 HydrophobicContact CG2-CD1 4.14Å; M385-L389 HydrophobicContact CE-CD1 4.17Å; M385-L389 HydrophobicContact CG-CD1 3.83Å; M385-L389 HydrophobicContact CG-CG 4.1Å; M385-L389 WeakPolarHBondContact O-CG 3.14Å; M385-L389 PolarHBondContact O-N 3.18Å; Y386-L389 PolarHBondContact O-N 2.95Å; L389-L392 PolarHBondContact O-N 2.9Å; L389-S393 VanDerWaalsContact O-CB 3.3Å; L389-S393 WeakPolarHBondContact O-CB 3.09Å; L389-S393 PolarHBondContact O-N 2.86Å; L389-I406 HydrophobicContact CB-CD1 4.35Å; L389-I406 HydrophobicContact CB-CG2 4.49Å; L389-I406 HydrophobicContact CD2-CD1 4.24Å; L389-I406 HydrophobicContact CD2-CG2 4.1Å; L389-I406 WeakPolarHBondContact O-CD1 3.21Å; L389-L408 HydrophobicContact CD1-CD2 4.03Å; L389-M496 HydrophobicContact CB-CE 3.74Å; L389-M496 HydrophobicContact CB-SD 3.39Å; L389-M496 WeakPolarHBondContact CB-SD 3.46Å; L389-M496 HydrophobicContact CD1-SD 3.82Å; L389-M496 HydrophobicContact CG-SD 4.24Å
390	H	95.9	Very high	95.8	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.139	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-42.1	173.6	-76.9	-53.5	0	0	0	112.2	Y386 F388 L392 S393 A394 N497 F500	Y386-H390 WeakPolarHBondContact O-CB 3.3Å; Y386-H390 PolarHBondContact O-CD2 3.47Å; Y386-H390 PolarHBondContact O-N 2.86Å; F388-H390 PolarHBondContact O-N 3.45Å; H390-L392 PolarHBondContact O-N 2.91Å; H390-S393 PolarHBondContact O-N 2.86Å; H390-A394 WeakPolarHBondContact O-CB 3.39Å; H390-A394 PolarHBondContact O-N 2.82Å; H390-N497 PolarHBondContact CE1-O 3.23Å; H390-F500 HydrophobicContact CB-CE1 4.5Å; H390-F500 HydrophobicContact CB-CE2 3.61Å; H390-F500 HydrophobicContact CB-CZ 3.47Å; H390-F500 VanDerWaalsContact CB-CZ 3.47Å; H390-F500 AromaticContact CD2-CE1 3.67Å; H390-F500 AromaticContact CD2-CE2 3.56Å; H390-F500 AromaticContact CD2-CZ 3.38Å; H390-F500 WeakPolarHBondContact CD2-CZ 3.33Å; H390-F500 AromaticContact CG-CE2 3.58Å; H390-F500 AromaticContact CG-CZ 3.63Å
391	S	96.3	Very high	95.6	Very high	60 Å²	60	50.2 Å²	50.2	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-47.2	174.9	173.4	0	0	0	0	111.8	R361 G387 F388 F395	R361-S391 PolarHBondContact NH2-OG 2.96Å; R361-S391 VanDerWaalsContact NH2-OG 3.11Å; G387-S391 PolarHBondContact O-N 2.98Å; F388-S391 WeakPolarHBondContact O-CB 3.46Å; F388-S391 PolarHBondContact O-N 3.17Å; S391-F395 WeakPolarHBondContact O-CB 3.22Å; S391-F395 PolarHBondContact O-N 2.89Å
392	L	97.2	Very high	95.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.2	-38.7	179.9	-177	60.8	0	0	0	111.9	Y340 R361 L373 F388 L389 H390 F395 G396 V404 I406	Y340-L392 HydrophobicContact CE1-CD2 4.36Å; R361-L392 HydrophobicContact CG-CD1 3.85Å; L373-L392 HydrophobicContact CD1-CD2 4.14Å; L373-L392 HydrophobicContact CD2-CD2 3.72Å; F388-L392 PolarHBondContact O-N 3.28Å; L389-L392 PolarHBondContact O-N 2.9Å; H390-L392 PolarHBondContact O-N 2.91Å; L392-F395 HydrophobicContact CD1-CD1 4.14Å; L392-F395 WeakPolarHBondContact O-CB 3.43Å; L392-F395 PolarHBondContact O-N 3.41Å; L392-G396 PolarHBondContact O-N 2.95Å; L392-V404 HydrophobicContact CD1-CG1 4.27Å; L392-V404 HydrophobicContact CD2-CG1 4.3Å; L392-V404 HydrophobicContact CG-CG1 3.91Å; L392-I406 HydrophobicContact CB-CD1 4.03Å; L392-I406 HydrophobicContact CD2-CD1 4.04Å; L392-I406 HydrophobicContact CG-CD1 4.07Å
393	S	95.2	Very high	95.6	Very high	42 Å²	42	52.5 Å²	52.5	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-43.7	175.7	-178.1	0	0	0	0	112.4	L389 H390 F395 G396 A397	L389-S393 VanDerWaalsContact O-CB 3.3Å; L389-S393 WeakPolarHBondContact O-CB 3.09Å; L389-S393 PolarHBondContact O-N 2.86Å; H390-S393 PolarHBondContact O-N 2.86Å; S393-F395 VanDerWaalsContact C-N 3.35Å; S393-G396 PolarHBondContact O-N 3.14Å; S393-A397 WeakPolarHBondContact O-CB 3.48Å; S393-A397 PolarHBondContact O-N 3.29Å
394	A	95.1	Very high	95.8	Very high	66 Å²	66	45.7 Å²	45.7	55%	0.545	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-41.2	177.1	0	0	0	0	0	111.5	H390 A397 S398	H390-A394 WeakPolarHBondContact O-CB 3.39Å; H390-A394 PolarHBondContact O-N 2.82Å; A394-A397 PolarHBondContact O-N 2.56Å; A394-S398 PolarHBondContact O-N 2.91Å
395	F	97.2	Very high	95.9	Very high	45 Å²	45	42 Å²	42	20%	0.197	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-50.2	171.3	165.8	-96.5	0	0	0	111.5	R361 A364 S391 L392 S393 A397 S398 L399 V404	R361-F395 HydrophobicContact CB-CE1 3.85Å; R361-F395 HydrophobicContact CB-CZ 3.78Å; R361-F395 HydrophobicContact CG-CD1 4.04Å; R361-F395 HydrophobicContact CG-CE1 3.76Å; R361-F395 HydrophobicContact CG-CZ 4.02Å; R361-F395 VanDerWaalsContact NH1-CG 3.32Å; A364-F395 HydrophobicContact CB-CE1 4.3Å; S391-F395 WeakPolarHBondContact O-CB 3.22Å; S391-F395 PolarHBondContact O-N 2.89Å; L392-F395 HydrophobicContact CD1-CD1 4.14Å; L392-F395 WeakPolarHBondContact O-CB 3.43Å; L392-F395 PolarHBondContact O-N 3.41Å; S393-F395 VanDerWaalsContact C-N 3.35Å; F395-A397 PolarHBondContact O-N 2.94Å; F395-S398 WeakPolarHBondContact O-CB 3.48Å; F395-S398 PolarHBondContact O-N 2.97Å; F395-S398 PolarHBondContact O-OG 3.49Å; F395-L399 HydrophobicContact CD1-CD1 4.48Å; F395-L399 HydrophobicContact CE1-CD1 3.82Å; F395-L399 HydrophobicContact CE2-CD1 4.36Å; F395-L399 HydrophobicContact CZ-CD1 3.78Å; F395-V404 HydrophobicContact CD1-CG2 4.34Å; F395-V404 HydrophobicContact CE1-CG2 4.43Å
396	G	96.3	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-46.6	177.5	0	0	0	0	0	113.8	L392 S393 S398 L399 G400	L392-G396 PolarHBondContact O-N 2.95Å; S393-G396 PolarHBondContact O-N 3.14Å; G396-S398 PolarHBondContact O-N 3.23Å; G396-L399 WeakPolarHBondContact O-CB 3.37Å; G396-L399 PolarHBondContact O-N 3.08Å; G396-G400 PolarHBondContact O-N 3.29Å; G396-G400 VanDerWaalsContact O-N 3.12Å; G396-G400 VanDerWaalsContact O-O 3.09Å
397	A	93.9	Very high	96.1	Very high	70 Å²	70	40.8 Å²	40.8	58%	0.579	26%	0.263	S	S	*	.	H	α-helix	trans	-59.2	-31.5	179.3	0	0	0	0	0	112.7	S393 A394 F395 L399	S393-A397 WeakPolarHBondContact O-CB 3.48Å; S393-A397 PolarHBondContact O-N 3.29Å; A394-A397 PolarHBondContact O-N 2.56Å; F395-A397 PolarHBondContact O-N 2.94Å; A397-L399 VanDerWaalsContact C-N 3.25Å; A397-L399 PolarHBondContact O-N 3.23Å
398	S	96.1	Very high	96.2	Very high	93 Å²	93	39.7 Å²	39.7	65%	0.65	25%	0.25	S	C	*	.	H	α-helix	trans	-69.5	-20.7	175	78.6	0	0	0	0	113.9	A394 F395 G396	A394-S398 PolarHBondContact O-N 2.91Å; F395-S398 WeakPolarHBondContact O-CB 3.48Å; F395-S398 PolarHBondContact O-N 2.97Å; F395-S398 PolarHBondContact O-OG 3.49Å; G396-S398 PolarHBondContact O-N 3.23Å
399	L	97.4	Very high	96.3	Very high	51 Å²	51	37.6 Å²	37.6	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-93.5	-30.2	178.6	-53.9	-177.5	0	0	0	112.6	A364 Y365 F395 G396 A397 M403	A364-L399 HydrophobicContact CB-CD1 4.11Å; Y365-L399 HydrophobicContact CD2-CD1 4.26Å; Y365-L399 HydrophobicContact CD2-CD2 3.59Å; Y365-L399 HydrophobicContact CE2-CD2 4.01Å; F395-L399 HydrophobicContact CD1-CD1 4.48Å; F395-L399 HydrophobicContact CE1-CD1 3.82Å; F395-L399 HydrophobicContact CE2-CD1 4.36Å; F395-L399 HydrophobicContact CZ-CD1 3.78Å; G396-L399 WeakPolarHBondContact O-CB 3.37Å; G396-L399 PolarHBondContact O-N 3.08Å; A397-L399 VanDerWaalsContact C-N 3.25Å; A397-L399 PolarHBondContact O-N 3.23Å; L399-M403 HydrophobicContact CB-CB 3.86Å; L399-M403 HydrophobicContact CB-CG 3.72Å
400	G	95.1	Very high	96.3	Very high	19 Å²	19	40 Å²	40	20%	0.196	26%	0.255	C	S	.	.			trans	153.1	162.6	179	0	0	0	0	0	112.7	G396 D402 M403	G396-G400 PolarHBondContact O-N 3.29Å; G396-G400 VanDerWaalsContact O-N 3.12Å; G396-G400 VanDerWaalsContact O-O 3.09Å; G400-D402 PolarHBondContact O-N 2.83Å; G400-M403 PolarHBondContact O-N 3.3Å
401	P	91.4	Very high	96.4	Very high	114 Å²	114	38.9 Å²	38.9	74%	0.74	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.9	-172.1	25.2	-34.8	0	0	0	114.6	Q405	P401-Q405 PolarHBondContact O-NE2 3.14Å
402	D	92.8	Very high	96.4	Very high	103 Å²	103	38 Å²	38	55%	0.551	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.7	8	-176.6	-59.9	-52.8	0	0	0	113.8	S370 G400 Q405	S370-D402 PolarHBondContact OG-O 3.46Å; G400-D402 PolarHBondContact O-N 2.83Å; D402-Q405 PolarHBondContact OD1-NE2 3.29Å
403	M	96.6	Very high	96.3	Very high	32 Å²	32	40.6 Å²	40.6	16%	0.158	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-50.6	-174.4	-70.3	-52.2	-49.2	0	0	112.9	A364 K368 V371 L399 G400	A364-M403 HydrophobicContact CB-CE 4.24Å; A364-M403 VanDerWaalsContact O-CE 3.22Å; A364-M403 WeakPolarHBondContact O-CE 3.37Å; K368-M403 HydrophobicContact CB-CE 4.37Å; K368-M403 HydrophobicContact CD-CE 4.5Å; V371-M403 PolarHBondContact N-O 3.19Å; L399-M403 HydrophobicContact CB-CB 3.86Å; L399-M403 HydrophobicContact CB-CG 3.72Å; G400-M403 PolarHBondContact O-N 3.3Å
404	V	98.1	Very high	96.3	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	117.4	170.4	-168.3	0	0	0	0	109.4	A364 V371 L373 L392 F395 I406	A364-V404 HydrophobicContact CB-CG2 3.75Å; V371-V404 HydrophobicContact CB-CG1 4.2Å; V371-V404 HydrophobicContact CB-CG2 4.25Å; V371-V404 HydrophobicContact CG1-CG1 4.11Å; V371-V404 CarbonylContact O-C 3.57Å; V371-V404 VanDerWaalsContact O-CA 3.27Å; V371-V404 WeakPolarHBondContact O-CA 3.45Å; L373-V404 HydrophobicContact CD1-CG1 4.38Å; L392-V404 HydrophobicContact CD1-CG1 4.27Å; L392-V404 HydrophobicContact CD2-CG1 4.3Å; L392-V404 HydrophobicContact CG-CG1 3.91Å; F395-V404 HydrophobicContact CD1-CG2 4.34Å; F395-V404 HydrophobicContact CE1-CG2 4.43Å; V404-I406 HydrophobicContact CG1-CG1 4.39Å
405	Q	97.6	Very high	96.2	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137	178.7	-64	179.1	-16.6	0	0	109.9	V371 K372 L373 P401 D402 W488 Y495	V371-Q405 PolarHBondContact O-N 2.77Å; K372-Q405 CarbonylContact C-O 3.59Å; K372-Q405 VanDerWaalsContact CA-O 3.31Å; K372-Q405 WeakPolarHBondContact CA-O 3.13Å; K372-Q405 HydrophobicContact CG-CB 4.33Å; L373-Q405 PolarHBondContact N-O 3.34Å; P401-Q405 PolarHBondContact O-NE2 3.14Å; D402-Q405 PolarHBondContact OD1-NE2 3.29Å; Q405-W488 HydrophobicContact CB-CH2 3.67Å; Q405-W488 HydrophobicContact CB-CZ2 3.79Å; Q405-Y495 HydrophobicContact CB-CE1 4.49Å
406	I	98	Very high	95.9	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.6	-177.8	-53.2	-177.3	0	0	0	108.6	L373 I375 L389 L392 V404 Y495 M496	L373-I406 HydrophobicContact CB-CG1 4.19Å; L373-I406 HydrophobicContact CB-CG2 4.25Å; L373-I406 WeakPolarHBondContact O-CA 3.37Å; I375-I406 HydrophobicContact CG1-CG2 4.39Å; L389-I406 HydrophobicContact CB-CD1 4.35Å; L389-I406 HydrophobicContact CB-CG2 4.49Å; L389-I406 HydrophobicContact CD2-CD1 4.24Å; L389-I406 HydrophobicContact CD2-CG2 4.1Å; L389-I406 WeakPolarHBondContact O-CD1 3.21Å; L392-I406 HydrophobicContact CB-CD1 4.03Å; L392-I406 HydrophobicContact CD2-CD1 4.04Å; L392-I406 HydrophobicContact CG-CD1 4.07Å; V404-I406 HydrophobicContact CG1-CG1 4.39Å; I406-Y495 WeakPolarHBondContact O-CD1 3.34Å; I406-M496 HydrophobicContact CB-CE 3.78Å; I406-M496 HydrophobicContact CD1-CE 4.13Å; I406-M496 HydrophobicContact CG1-CE 4.49Å; I406-M496 HydrophobicContact CG2-CE 3.71Å; I406-M496 HydrophobicContact CG2-SD 4Å
407	K	98.2	Very high	95.5	Very high	22 Å²	22	54.9 Å²	54.9	10%	0.096	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143	170.8	-73.6	-169.4	176.8	-171.1	0	110.5	L373 L374 I375 W488 A493 S494 Y495	L373-K407 PolarHBondContact O-N 3.23Å; L374-K407 WeakPolarHBondContact CA-O 3.26Å; L374-K407 HydrophobicContact CD1-CB 3.8Å; I375-K407 PolarHBondContact N-O 2.85Å; K407-W488 HydrophobicContact CB-CE3 4.38Å; K407-W488 HydrophobicContact CB-CH2 4.24Å; K407-W488 HydrophobicContact CB-CZ3 4Å; K407-W488 HydrophobicContact CD-CD2 4.03Å; K407-W488 HydrophobicContact CD-CE3 4.25Å; K407-W488 HydrophobicContact CD-CH2 4.26Å; K407-W488 HydrophobicContact CD-CZ2 4.04Å; K407-W488 HydrophobicContact CD-CZ3 4.36Å; K407-W488 HydrophobicContact CG-CE3 4.42Å; K407-W488 HydrophobicContact CG-CH2 3.82Å; K407-W488 HydrophobicContact CG-CZ2 3.99Å; K407-W488 HydrophobicContact CG-CZ3 4.04Å; K407-W488 PolarHBondContact NZ-O 3.42Å; K407-A493 HydrophobicContact CB-CB 4.38Å; K407-A493 HydrophobicContact CD-CB 3.81Å; K407-S494 CarbonylContact C-O 3.56Å; K407-S494 VanDerWaalsContact CA-O 3.23Å; K407-S494 WeakPolarHBondContact CA-O 3.26Å; K407-S494 WeakPolarHBondContact CB-O 3.4Å; K407-Y495 HydrophobicContact CG-CD1 3.9Å; K407-Y495 HydrophobicContact CG-CE1 3.98Å; K407-Y495 HydrophobicContact CG-CG 4.25Å
408	L	98.3	Very high	95.4	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.1	167.4	-58.4	-178.8	0	0	0	109.1	I375 K377 Y386 L389 A493 S494 M496	I375-L408 HydrophobicContact CB-CD2 4.3Å; I375-L408 CarbonylContact O-C 3.54Å; I375-L408 VanDerWaalsContact O-CA 3.27Å; I375-L408 WeakPolarHBondContact O-CA 3.43Å; K377-L408 HydrophobicContact CB-CB 4.07Å; K377-L408 HydrophobicContact CB-CD1 4.45Å; K377-L408 HydrophobicContact CD-CD1 3.97Å; Y386-L408 HydrophobicContact CE1-CD1 3.81Å; Y386-L408 HydrophobicContact CE1-CD2 4.4Å; L389-L408 HydrophobicContact CD1-CD2 4.03Å; L408-A493 WeakPolarHBondContact O-CA 3.49Å; L408-S494 PolarHBondContact N-O 3.49Å; L408-S494 PolarHBondContact O-N 3.27Å; L408-M496 HydrophobicContact CD1-CG 3.89Å; L408-M496 HydrophobicContact CD2-CG 3.99Å; L408-M496 HydrophobicContact CD2-SD 4.29Å; L408-M496 HydrophobicContact CG-CG 3.66Å
409	F	98.4	Very high	95.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.9	174.5	-162	-84.8	0	0	0	109.5	M101 K239 L374 I375 K377 I411 N427 D487 Y492 A493	M101-F409 HydrophobicContact CE-CZ 4.28Å; M101-F409 HydrophobicContact SD-CE1 4.17Å; M101-F409 HydrophobicContact SD-CZ 4.27Å; K239-F409 HydrophobicContact CD-CE1 3.86Å; K239-F409 HydrophobicContact CD-CZ 4.05Å; L374-F409 HydrophobicContact CD1-CB 3.99Å; L374-F409 HydrophobicContact CD1-CD2 3.98Å; L374-F409 HydrophobicContact CD1-CG 4.49Å; L374-F409 HydrophobicContact CD2-CD2 3.75Å; L374-F409 HydrophobicContact CD2-CE2 4.36Å; L374-F409 HydrophobicContact CD2-CG 4.47Å; L374-F409 HydrophobicContact CG-CB 4Å; L374-F409 HydrophobicContact CG-CD2 4.04Å; L374-F409 HydrophobicContact CG-CG 4.42Å; I375-F409 PolarHBondContact O-N 2.98Å; K377-F409 PolarHBondContact N-O 2.94Å; F409-I411 HydrophobicContact CD1-CD1 4.47Å; F409-I411 HydrophobicContact CD1-CG1 3.96Å; F409-I411 HydrophobicContact CE1-CD1 4.1Å; F409-I411 HydrophobicContact CE1-CG1 3.8Å; F409-N427 HydrophobicContact CB-CB 4.39Å; F409-N427 HydrophobicContact CD1-CB 3.65Å; F409-N427 HydrophobicContact CE1-CB 4.28Å; F409-N427 HydrophobicContact CG-CB 4.27Å; F409-D487 HydrophobicContact CD2-CB 4.44Å; F409-D487 HydrophobicContact CE2-CB 3.79Å; F409-Y492 CarbonylContact C-O 3.59Å; F409-Y492 WeakPolarHBondContact CA-O 3.45Å; F409-Y492 HydrophobicContact CZ-CD2 4.18Å; F409-Y492 HydrophobicContact CZ-CG 4.17Å; F409-A493 HydrophobicContact CD2-CB 4.11Å
410	T	98.1	Very high	94.9	Very high	50 Å²	50	55 Å²	55	31%	0.307	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124	-178.2	-52.7	0	0	0	0	109.5	P412 Y492	T410-P412 WeakPolarHBondContact O-CD 3.16Å; T410-Y492 PolarHBondContact N-O 2.85Å
411	I	97.6	Very high	94.7	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.036	28%	0.283	C	S	.	.			trans	-94.7	112.5	176.3	-49.4	-164.4	0	0	0	108	P98 M101 K239 F409 R425 V426 N427	P98-I411 HydrophobicContact CB-CG2 4.14Å; P98-I411 HydrophobicContact CG-CD1 3.82Å; P98-I411 HydrophobicContact CG-CG2 4.2Å; M101-I411 HydrophobicContact SD-CD1 4.26Å; M101-I411 HydrophobicContact SD-CG1 4.43Å; M101-I411 HydrophobicContact SD-CG2 4.16Å; K239-I411 HydrophobicContact CB-CD1 3.71Å; F409-I411 HydrophobicContact CD1-CD1 4.47Å; F409-I411 HydrophobicContact CD1-CG1 3.96Å; F409-I411 HydrophobicContact CE1-CD1 4.1Å; F409-I411 HydrophobicContact CE1-CG1 3.8Å; I411-R425 HydrophobicContact CB-CB 4.3Å; I411-R425 HydrophobicContact CG2-CB 4.44Å; I411-R425 VanDerWaalsContact CG2-NH2 3.34Å; I411-V426 VanDerWaalsContact CD1-O 3.32Å; I411-V426 WeakPolarHBondContact CD1-O 3.36Å; I411-N427 HydrophobicContact CD1-CB 4.41Å
412	P	96.3	Very high	94.7	Very high	42 Å²	42	51.5 Å²	51.5	27%	0.273	26%	0.263	S	S	.	.			trans	-71.9	153.7	-177.6	29.2	-35.5	0	0	0	111.4	T410 Y414 R425 Y492	T410-P412 WeakPolarHBondContact O-CD 3.16Å; P412-Y414 HydrophobicContact CB-CE2 4.47Å; P412-Y414 HydrophobicContact CG-CE1 4.08Å; P412-Y414 HydrophobicContact CG-CE2 3.69Å; P412-Y414 VanDerWaalsContact CG-CZ 3.43Å; P412-Y414 VanDerWaalsContact CG-OH 3.3Å; P412-Y414 WeakPolarHBondContact CG-OH 3.35Å; P412-R425 PolarHBondContact O-NE 3.01Å; P412-R425 PolarHBondContact O-NH2 2.8Å; P412-Y492 HydrophobicContact CG-CD1 4.13Å; P412-Y492 HydrophobicContact CG-CE1 3.78Å
413	S	95.3	Very high	94.7	Very high	53 Å²	53	52 Å²	52	37%	0.371	26%	0.261	S	S	.	.			trans	-94.6	127.8	161.1	-58.6	0	0	0	0	108.5
414	Y	93.7	Very high	94.5	Very high	122 Å²	122	51.1 Å²	51.1	48%	0.478	26%	0.257	S	S	.	.			trans	-96.6	-15.5	178.9	-61.8	-79.4	0	0	0	112.8	G100 P412 Y492	G100-Y414 WeakPolarHBondContact O-CE2 3.37Å; P412-Y414 HydrophobicContact CB-CE2 4.47Å; P412-Y414 HydrophobicContact CG-CE1 4.08Å; P412-Y414 HydrophobicContact CG-CE2 3.69Å; P412-Y414 VanDerWaalsContact CG-CZ 3.43Å; P412-Y414 VanDerWaalsContact CG-OH 3.3Å; P412-Y414 WeakPolarHBondContact CG-OH 3.35Å; Y414-Y492 WeakPolarHBondContact OH-CE1 3.4Å; Y414-Y492 PolarHBondContact OH-OH 3.12Å
415	T	92.9	Very high	94.4	Very high	73 Å²	73	51.5 Å²	51.5	45%	0.448	26%	0.258	S	S	.	.	S	Bend	trans	-131.5	156.2	178.3	69.4	0	0	0	0	110.8	R417 Q418 S419	T415-R417 PolarHBondContact O-N 2.94Å; T415-Q418 PolarHBondContact O-N 2.87Å; T415-Q418 WeakPolarHBondContact OG1-CG 2.92Å; T415-Q418 PolarHBondContact OG1-N 3.15Å; T415-Q418 VanDerWaalsContact OG1-N 3.15Å; T415-S419 PolarHBondContact O-N 3.04Å
416	E	91.2	Very high	94.4	Very high	133 Å²	133	50.6 Å²	50.6	62%	0.621	25%	0.254	S	S	*	.	H	α-helix	trans	-61.5	-30.1	172.7	-169.9	-174.2	171.9	0	0	111.8	S419 K420	E416-S419 PolarHBondContact O-N 2.86Å; E416-S419 PolarHBondContact O-OG 2.85Å; E416-K420 HydrophobicContact CG-CD 4.41Å; E416-K420 WeakPolarHBondContact O-CG 3.5Å; E416-K420 PolarHBondContact O-N 3.01Å; E416-K420 WeakPolarHBondContact OE1-CE 3.29Å; E416-K420 IonicContact OE1-NZ 2.93Å; E416-K420 PolarHBondContact OE1-NZ 2.98Å
417	R	88.7	Confident	94.4	Very high	126 Å²	126	50.4 Å²	50.4	48%	0.475	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-53.1	173.5	-170.8	-176	-137.6	170.8	4.9	110.4	D145 D146 T415 S419 K420 I421	D145-R417 VanDerWaalsContact OD2-CD 3.26Å; D145-R417 WeakPolarHBondContact OD2-CD 3.35Å; D145-R417 WeakPolarHBondContact OD2-CG 3.37Å; D145-R417 IonicContact OD2-CZ 2.85Å; D145-R417 IonicContact OD2-NE 3.62Å; D145-R417 PolarHBondContact OD2-NE 2.73Å; D146-R417 IonicContact OD2-CZ 3.58Å; D146-R417 IonicContact OD2-NH1 2.84Å; D146-R417 PolarHBondContact OD2-NH1 2.79Å; D146-R417 IonicContact OD2-NH2 3.37Å; D146-R417 PolarHBondContact OD2-NH2 2.77Å; T415-R417 PolarHBondContact O-N 2.94Å; R417-S419 VanDerWaalsContact C-N 3.27Å; R417-S419 PolarHBondContact O-N 3.16Å; R417-K420 PolarHBondContact O-N 2.76Å; R417-K420 VanDerWaalsContact O-N 3.08Å; R417-I421 PolarHBondContact O-N 3.3Å
418	Q	92.1	Very high	94.5	Very high	17 Å²	17	50 Å²	50	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-35.4	179.6	-75	178.5	-19.1	0	0	113	E99 T415 K420	E99-Q418 PolarHBondContact O-NE2 2.9Å; E99-Q418 VanDerWaalsContact O-NE2 3.1Å; T415-Q418 PolarHBondContact O-N 2.87Å; T415-Q418 WeakPolarHBondContact OG1-CG 2.92Å; T415-Q418 PolarHBondContact OG1-N 3.15Å; T415-Q418 VanDerWaalsContact OG1-N 3.15Å; Q418-K420 VanDerWaalsContact C-N 3.26Å; Q418-K420 PolarHBondContact O-N 3.22Å
419	S	91.3	Very high	94.4	Very high	68 Å²	68	49.6 Å²	49.6	48%	0.476	25%	0.249	S	C	.	.	H	α-helix	trans	-72.9	-18.7	179.3	66.6	0	0	0	0	113.7	T415 E416 R417	T415-S419 PolarHBondContact O-N 3.04Å; E416-S419 PolarHBondContact O-N 2.86Å; E416-S419 PolarHBondContact O-OG 2.85Å; R417-S419 VanDerWaalsContact C-N 3.27Å; R417-S419 PolarHBondContact O-N 3.16Å
420	K	90.9	Very high	94.4	Very high	132 Å²	132	49.6 Å²	49.6	57%	0.574	25%	0.25	S	C	*	.	H	α-helix	trans	-90.8	-9.9	178.3	-71.7	176.9	-178.4	172.1	0	113.9	E416 R417 Q418 P422	E416-K420 HydrophobicContact CG-CD 4.41Å; E416-K420 WeakPolarHBondContact O-CG 3.5Å; E416-K420 PolarHBondContact O-N 3.01Å; E416-K420 WeakPolarHBondContact OE1-CE 3.29Å; E416-K420 IonicContact OE1-NZ 2.93Å; E416-K420 PolarHBondContact OE1-NZ 2.98Å; R417-K420 PolarHBondContact O-N 2.76Å; R417-K420 VanDerWaalsContact O-N 3.08Å; Q418-K420 VanDerWaalsContact C-N 3.26Å; Q418-K420 PolarHBondContact O-N 3.22Å; K420-P422 WeakPolarHBondContact O-CD 3.47Å
421	I	91.5	Very high	94.5	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.041	24%	0.235	C	C	.	.	S	Bend	trans	-74.2	113.2	177.8	-57.1	169.9	0	0	0	108.7	M142 W232 R233 Q237 R417 S424	M142-I421 HydrophobicContact SD-CG2 4.32Å; W232-I421 HydrophobicContact CH2-CD1 4.06Å; W232-I421 HydrophobicContact CH2-CG1 4.28Å; W232-I421 HydrophobicContact CH2-CG2 3.55Å; W232-I421 HydrophobicContact CZ2-CG2 3.99Å; W232-I421 HydrophobicContact CZ3-CG2 4.42Å; R233-I421 HydrophobicContact CG-CG2 3.97Å; Q237-I421 HydrophobicContact CG-CD1 3.94Å; R417-I421 PolarHBondContact O-N 3.3Å; I421-S424 WeakPolarHBondContact CB-OG 3.32Å; I421-S424 PolarHBondContact O-OG 3.34Å
422	P	90.7	Very high	94.5	Very high	50 Å²	50	46.9 Å²	46.9	33%	0.325	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	147.9	-177.3	30.9	-33.9	0	0	0	110.7	M142 R233 K420 S424	M142-P422 HydrophobicContact CE-CG 4.18Å; M142-P422 WeakPolarHBondContact SD-CD 3.48Å; M142-P422 HydrophobicContact SD-CG 3.99Å; R233-P422 WeakPolarHBondContact CD-O 3.35Å; K420-P422 WeakPolarHBondContact O-CD 3.47Å; P422-S424 PolarHBondContact O-N 3.45Å; P422-S424 VanDerWaalsContact O-N 3.09Å
423	F	92.6	Very high	94.7	Very high	115 Å²	115	44.9 Å²	44.9	50%	0.504	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	26.9	179	-51.6	-72.2	0	0	0	114.9	H380	H380-F423 AromaticContact CD2-CD1 3.84Å; H380-F423 AromaticContact CE1-CD1 3.58Å; H380-F423 AromaticContact CE1-CE1 3.32Å; H380-F423 WeakPolarHBondContact CE1-CE1 3.36Å; H380-F423 AromaticContact ND1-CE1 3.74Å; H380-F423 AromaticContact NE2-CD1 3.42Å; H380-F423 WeakPolarHBondContact NE2-CD1 3.37Å; H380-F423 AromaticContact NE2-CE1 3.69Å
424	S	93.9	Very high	94.8	Very high	12 Å²	12	42.4 Å²	42.4	8%	0.084	20%	0.203	C	C	.	.			trans	-107.2	-174.1	176.8	73.7	0	0	0	0	112	I421 P422 V426	I421-S424 WeakPolarHBondContact CB-OG 3.32Å; I421-S424 PolarHBondContact O-OG 3.34Å; P422-S424 PolarHBondContact O-N 3.45Å; P422-S424 VanDerWaalsContact O-N 3.09Å; S424-V426 VanDerWaalsContact C-N 3.32Å; S424-V426 PolarHBondContact O-N 3Å
425	R	96	Very high	94.9	Very high	15 Å²	15	37.9 Å²	37.9	6%	0.057	19%	0.186	C	C	.	.	S	Bend	trans	54.6	47.7	176	-48.1	-47.3	-64.4	179.4	-1.5	112.3	P98 E99 Q237 I411 P412	P98-R425 VanDerWaalsContact CB-NH1 3.34Å; E99-R425 PolarHBondContact O-NH1 2.82Å; E99-R425 PolarHBondContact O-NH2 2.86Å; E99-R425 VanDerWaalsContact O-NH2 3.08Å; Q237-R425 PolarHBondContact O-N 3.26Å; Q237-R425 VanDerWaalsContact O-N 3.1Å; I411-R425 HydrophobicContact CB-CB 4.3Å; I411-R425 HydrophobicContact CG2-CB 4.44Å; I411-R425 VanDerWaalsContact CG2-NH2 3.34Å; P412-R425 PolarHBondContact O-NE 3.01Å; P412-R425 PolarHBondContact O-NH2 2.8Å
426	V	97.6	Very high	95.1	Very high	4 Å²	4	36 Å²	36	2%	0.024	17%	0.173	C	C	.	.			trans	-131.8	141.6	-177.3	60.8	0	0	0	0	110	V238 K239 M338 S376 W378 I411 S424 H428	V238-V426 HydrophobicContact CB-CG1 4.43Å; V238-V426 HydrophobicContact CG1-CG1 3.74Å; V238-V426 HydrophobicContact CG2-CG1 4.03Å; K239-V426 PolarHBondContact N-O 2.88Å; M338-V426 HydrophobicContact CG-CG2 4.02Å; M338-V426 HydrophobicContact SD-CG2 4.06Å; S376-V426 WeakPolarHBondContact OG-CG2 3.3Å; W378-V426 HydrophobicContact CB-CB 4.23Å; W378-V426 HydrophobicContact CB-CG2 4.22Å; W378-V426 HydrophobicContact CD2-CB 3.64Å; W378-V426 HydrophobicContact CD2-CG1 4.48Å; W378-V426 HydrophobicContact CD2-CG2 3.3Å; W378-V426 HydrophobicContact CE3-CB 3.4Å; W378-V426 HydrophobicContact CE3-CG1 3.89Å; W378-V426 HydrophobicContact CE3-CG2 3.58Å; W378-V426 HydrophobicContact CG-CB 4.03Å; W378-V426 HydrophobicContact CG-CG2 3.61Å; W378-V426 HydrophobicContact CH2-CB 4.49Å; W378-V426 HydrophobicContact CH2-CG1 4.37Å; W378-V426 HydrophobicContact CH2-CG2 4.19Å; W378-V426 HydrophobicContact CZ2-CG2 3.97Å; W378-V426 HydrophobicContact CZ3-CB 3.85Å; W378-V426 HydrophobicContact CZ3-CG1 3.8Å; W378-V426 HydrophobicContact CZ3-CG2 3.99Å; I411-V426 VanDerWaalsContact CD1-O 3.32Å; I411-V426 WeakPolarHBondContact CD1-O 3.36Å; S424-V426 VanDerWaalsContact C-N 3.32Å; S424-V426 PolarHBondContact O-N 3Å; V426-H428 HydrophobicContact CG1-CB 4.38Å; V426-H428 PolarHBondContact O-N 3.23Å
427	N	98.2	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-81.5	101.5	164.5	-176	-1.9	0	0	0	108.5	K239 S376 F409 I411 N429	K239-N427 HydrophobicContact CD-CB 4.47Å; S376-N427 WeakPolarHBondContact CB-O 3.29Å; S376-N427 PolarHBondContact OG-N 3.09Å; S376-N427 VanDerWaalsContact OG-N 3.14Å; S376-N427 PolarHBondContact OG-O 2.87Å; F409-N427 HydrophobicContact CB-CB 4.39Å; F409-N427 HydrophobicContact CD1-CB 3.65Å; F409-N427 HydrophobicContact CE1-CB 4.28Å; F409-N427 HydrophobicContact CG-CB 4.27Å; I411-N427 HydrophobicContact CD1-CB 4.41Å; N427-N429 VanDerWaalsContact C-N 3.34Å; N427-N429 WeakPolarHBondContact OD1-CB 3.44Å; N427-N429 PolarHBondContact OD1-N 3.33Å; N427-N429 PolarHBondContact OD1-ND2 3.44Å; N427-N429 VanDerWaalsContact OD1-ND2 3.07Å; N427-N429 PolarHBondContact OD1-OD1 3.15Å
428	H	98.5	Very high	95.9	Very high	14 Å²	14	24.1 Å²	24.1	7%	0.065	12%	0.124	C	C	.	.			trans	-96.7	16.6	-173.6	-166.7	-114.9	0	0	0	112.7	S227 V238 K239 E240 M338 V426 K430	S227-H428 WeakPolarHBondContact CB-O 3.23Å; S227-H428 PolarHBondContact O-CE1 3.1Å; S227-H428 PolarHBondContact O-ND1 3.43Å; S227-H428 VanDerWaalsContact O-ND1 3.17Å; S227-H428 PolarHBondContact OG-O 3.46Å; V238-H428 HydrophobicContact CG1-CB 3.35Å; K239-H428 WeakPolarHBondContact O-CA 3.38Å; K239-H428 WeakPolarHBondContact O-CB 3.17Å; K239-H428 PolarHBondContact O-N 2.98Å; E240-H428 IonicContact OE1-CG 3.22Å; E240-H428 IonicContact OE1-ND1 3.24Å; E240-H428 PolarHBondContact OE1-ND1 3.08Å; E240-H428 IonicContact OE2-CG 3.04Å; E240-H428 IonicContact OE2-ND1 3.72Å; E240-H428 PolarHBondContact OE2-ND1 3.28Å; M338-H428 PolarHBondContact SD-CD2 3.49Å; V426-H428 HydrophobicContact CG1-CB 4.38Å; V426-H428 PolarHBondContact O-N 3.23Å; H428-K430 PolarHBondContact CD2-NZ 2.96Å; H428-K430 PolarHBondContact CE1-NZ 3.05Å; H428-K430 PolarHBondContact NE2-NZ 3.21Å; H428-K430 WeakPolarHBondContact O-CD 3.4Å; H428-K430 WeakPolarHBondContact O-CE 3.33Å; H428-K430 PolarHBondContact O-NZ 2.63Å
429	N	97.8	Very high	96.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.			trans	-61	156.6	177.9	-66.7	-9.6	0	0	0	113.2	K239 E240 M241 A336 V337 M338 N427 Y431	K239-N429 PolarHBondContact O-OD1 3.19Å; E240-N429 WeakPolarHBondContact CA-OD1 3.36Å; M241-N429 HydrophobicContact CB-CB 4.3Å; M241-N429 WeakPolarHBondContact CB-OD1 3.28Å; M241-N429 PolarHBondContact N-OD1 3.33Å; M241-N429 VanDerWaalsContact N-OD1 3.14Å; A336-N429 HydrophobicContact CB-CB 4.38Å; A336-N429 CarbonylContact O-C 3.12Å; V337-N429 VanDerWaalsContact CA-O 3.27Å; V337-N429 WeakPolarHBondContact CA-O 3.36Å; M338-N429 PolarHBondContact N-O 2.94Å; M338-N429 VanDerWaalsContact N-O 3.15Å; N427-N429 VanDerWaalsContact C-N 3.34Å; N427-N429 WeakPolarHBondContact OD1-CB 3.44Å; N427-N429 PolarHBondContact OD1-N 3.33Å; N427-N429 PolarHBondContact OD1-ND2 3.44Å; N427-N429 VanDerWaalsContact OD1-ND2 3.07Å; N427-N429 PolarHBondContact OD1-OD1 3.15Å; N429-Y431 HydrophobicContact CB-CD1 3.92Å; N429-Y431 HydrophobicContact CB-CE1 4.02Å; N429-Y431 WeakPolarHBondContact ND2-CE1 3.34Å
430	K	98.4	Very high	96.6	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	79.9	166.5	-54.8	92.7	176.3	72.6	0	109.5	A336 V337 H428 G441 S443 N444	A336-K430 WeakPolarHBondContact O-CA 3.43Å; V337-K430 HydrophobicContact CG2-CG 4.28Å; H428-K430 PolarHBondContact CD2-NZ 2.96Å; H428-K430 PolarHBondContact CE1-NZ 3.05Å; H428-K430 PolarHBondContact NE2-NZ 3.21Å; H428-K430 WeakPolarHBondContact O-CD 3.4Å; H428-K430 WeakPolarHBondContact O-CE 3.33Å; H428-K430 PolarHBondContact O-NZ 2.63Å; K430-G441 PolarHBondContact O-N 3.23Å; K430-S443 WeakPolarHBondContact CB-O 3.34Å; K430-S443 VanDerWaalsContact CG-O 3.31Å; K430-S443 WeakPolarHBondContact CG-O 3.46Å; K430-N444 WeakPolarHBondContact CE-OD1 3.27Å; K430-N444 PolarHBondContact NZ-OD1 2.94Å
431	Y	98.9	Very high	96.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156.8	179.1	72.2	-107.3	0	0	0	113.6	M241 A336 N429 V433 Y439 L480 F484	M241-Y431 HydrophobicContact CB-CD1 4.06Å; M241-Y431 HydrophobicContact CE-CE1 4.28Å; M241-Y431 HydrophobicContact CG-CD1 3.77Å; M241-Y431 HydrophobicContact CG-CE1 4.27Å; A336-Y431 HydrophobicContact CB-CD1 4.02Å; A336-Y431 HydrophobicContact CB-CD2 4.22Å; A336-Y431 HydrophobicContact CB-CE1 3.52Å; A336-Y431 HydrophobicContact CB-CE2 3.7Å; A336-Y431 HydrophobicContact CB-CG 4.35Å; A336-Y431 PolarHBondContact N-O 2.87Å; A336-Y431 PolarHBondContact O-N 2.83Å; N429-Y431 HydrophobicContact CB-CD1 3.92Å; N429-Y431 HydrophobicContact CB-CE1 4.02Å; N429-Y431 WeakPolarHBondContact ND2-CE1 3.34Å; Y431-V433 HydrophobicContact CE2-CG1 4.43Å; Y431-Y439 CarbonylContact C-O 3.56Å; Y431-Y439 WeakPolarHBondContact CA-O 3.44Å; Y431-Y439 WeakPolarHBondContact CB-O 3.33Å; Y431-L480 HydrophobicContact CD1-CD1 4Å; Y431-L480 HydrophobicContact CD2-CD1 3.78Å; Y431-L480 HydrophobicContact CD2-CD2 3.97Å; Y431-L480 HydrophobicContact CD2-CG 3.99Å; Y431-L480 HydrophobicContact CE1-CD1 4.05Å; Y431-L480 HydrophobicContact CE2-CD1 3.88Å; Y431-L480 HydrophobicContact CE2-CG 4.17Å; Y431-L480 HydrophobicContact CG-CD1 3.86Å; Y431-L480 HydrophobicContact CG-CD2 4.28Å; Y431-L480 HydrophobicContact CG-CG 4.45Å; Y431-F484 HydrophobicContact CE2-CB 4.17Å; Y431-F484 AromaticContact CE2-CD2 3.86Å; Y431-F484 HydrophobicContact CE2-CD2 3.86Å; Y431-F484 HydrophobicContact CE2-CG 4.49Å; Y431-F484 WeakPolarHBondContact OH-CA 3.3Å
432	V	98.9	Very high	97.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.2	167.8	-176.2	0	0	0	0	108.6	L322 V325 V333 N334 V335 Y439 F445	L322-V432 HydrophobicContact CD1-CB 4.48Å; L322-V432 HydrophobicContact CD1-CG2 3.62Å; V325-V432 HydrophobicContact CG1-CG1 4.16Å; V333-V432 HydrophobicContact CG1-CG1 3.73Å; N334-V432 CarbonylContact O-C 3.55Å; N334-V432 VanDerWaalsContact O-CA 3.29Å; N334-V432 WeakPolarHBondContact O-CA 3.41Å; V335-V432 HydrophobicContact CG1-CG2 4.42Å; V335-V432 HydrophobicContact CG2-CG1 4.35Å; V335-V432 HydrophobicContact CG2-CG2 4.09Å; V432-Y439 PolarHBondContact N-O 3.47Å; V432-Y439 PolarHBondContact O-N 2.93Å; V432-F445 HydrophobicContact CG2-CE2 4.12Å; V432-F445 HydrophobicContact CG2-CZ 3.57Å
433	V	98.8	Very high	97.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.2	172.3	64.3	0	0	0	0	110.5	F332 N334 Y431 T437 V477 L480 Q481 F484	F332-V433 WeakPolarHBondContact CE2-O 3.39Å; N334-V433 HydrophobicContact CB-CG1 3.73Å; N334-V433 PolarHBondContact N-O 2.86Å; N334-V433 PolarHBondContact O-N 2.85Å; Y431-V433 HydrophobicContact CE2-CG1 4.43Å; V433-T437 WeakPolarHBondContact CA-O 3.3Å; V433-V477 HydrophobicContact CG2-CG1 4.11Å; V433-L480 HydrophobicContact CB-CD2 3.96Å; V433-L480 HydrophobicContact CB-CG 4.09Å; V433-L480 HydrophobicContact CG1-CG 4.49Å; V433-L480 HydrophobicContact CG2-CB 4.38Å; V433-L480 HydrophobicContact CG2-CD2 4.36Å; V433-L480 HydrophobicContact CG2-CG 4.37Å; V433-Q481 VanDerWaalsContact CG1-OE1 3.28Å; V433-Q481 HydrophobicContact CG2-CB 4.05Å; V433-F484 HydrophobicContact CG1-CB 4.28Å
434	T	98.5	Very high	97.9	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.006	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-172.6	176.8	73.7	0	0	0	0	109.5	V325 A329 F332 V333 N436 T437	V325-T434 HydrophobicContact CG1-CG2 3.87Å; A329-T434 HydrophobicContact CB-CG2 3.81Å; F332-T434 VanDerWaalsContact CZ-O 3.32Å; F332-T434 WeakPolarHBondContact CZ-O 3.48Å; F332-T434 WeakPolarHBondContact O-CA 3.32Å; F332-T434 WeakPolarHBondContact O-CB 3.18Å; V333-T434 HydrophobicContact CG2-CG2 4.33Å; T434-N436 PolarHBondContact O-N 3.5Å; T434-N436 VanDerWaalsContact O-N 3.1Å; T434-N436 PolarHBondContact OG1-N 2.86Å; T434-N436 PolarHBondContact OG1-OD1 2.64Å; T434-T437 PolarHBondContact N-O 3.38Å; T434-T437 WeakPolarHBondContact OG1-CB 3.37Å; T434-T437 PolarHBondContact OG1-N 2.98Å; T434-T437 PolarHBondContact OG1-O 3.44Å
435	E	95.5	Very high	98.1	Very high	27 Å²	27	5.2 Å²	5.2	13%	0.126	3%	0.026	C	C	.	.	S	Bend	trans	-61.1	-16.7	176.4	66.6	-81.1	176.9	0	0	115.1	K330 R331 F332 M464	K330-E435 WeakPolarHBondContact CB-OE1 3.41Å; K330-E435 PolarHBondContact N-OE1 3.36Å; K330-E435 PolarHBondContact N-OE2 2.92Å; R331-E435 HydrophobicContact CB-CB 4.34Å; R331-E435 PolarHBondContact N-OE2 3.28Å; F332-E435 HydrophobicContact CE1-CB 3.97Å; F332-E435 HydrophobicContact CZ-CB 4.44Å; F332-E435 PolarHBondContact N-OE2 3.25Å; E435-M464 VanDerWaalsContact O-CG 3.32Å; E435-M464 WeakPolarHBondContact O-CG 3.28Å
436	N	96.4	Very high	98.2	Very high	32 Å²	32	4.6 Å²	4.6	17%	0.171	2%	0.024	C	C	.	.	S	Bend	trans	-148.1	-1.8	-175.2	65.4	13.7	0	0	0	115	T434 R461 Q462	T434-N436 PolarHBondContact O-N 3.5Å; T434-N436 VanDerWaalsContact O-N 3.1Å; T434-N436 PolarHBondContact OG1-N 2.86Å; T434-N436 PolarHBondContact OG1-OD1 2.64Å; N436-R461 CarbonylContact O-C 3.46Å; N436-R461 WeakPolarHBondContact O-CA 3.34Å; N436-Q462 PolarHBondContact O-N 2.97Å
437	T	98.4	Very high	98.2	Very high	10 Å²	10	4.4 Å²	4.4	6%	0.061	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.6	-173.6	-54	0	0	0	0	111.1	V325 V433 T434 V459 I460 R461	V325-T437 HydrophobicContact CG1-CG2 4.14Å; V325-T437 HydrophobicContact CG2-CG2 3.9Å; V433-T437 WeakPolarHBondContact CA-O 3.3Å; T434-T437 PolarHBondContact N-O 3.38Å; T434-T437 WeakPolarHBondContact OG1-CB 3.37Å; T434-T437 PolarHBondContact OG1-N 2.98Å; T434-T437 PolarHBondContact OG1-O 3.44Å; T437-V459 HydrophobicContact CG2-CG1 3.69Å; T437-I460 CarbonylContact C-O 3.53Å; T437-I460 WeakPolarHBondContact CA-O 3.36Å; T437-R461 HydrophobicContact CG2-CB 4.38Å
438	A	98.7	Very high	98.2	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.008	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.3	170.8	0	0	0	0	0	109.6	V459 I460 V477 L480	A438-V459 CarbonylContact O-C 3.53Å; A438-V459 WeakPolarHBondContact O-CA 3.48Å; A438-I460 HydrophobicContact CB-CB 4.46Å; A438-I460 PolarHBondContact N-O 2.7Å; A438-I460 PolarHBondContact O-N 2.89Å; A438-V477 HydrophobicContact CB-CG2 4.06Å; A438-L480 HydrophobicContact CB-CD2 3.62Å
439	Y	98.9	Very high	98.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.4	168.5	175.7	-78	0	0	0	107.3	D318 A321 L322 V325 Y431 V432 A457 V458 V459	D318-Y439 PolarHBondContact OD1-OH 3.3Å; D318-Y439 VanDerWaalsContact OD1-OH 3.04Å; D318-Y439 PolarHBondContact OD2-OH 2.97Å; D318-Y439 VanDerWaalsContact OD2-OH 3.08Å; A321-Y439 HydrophobicContact CB-CE2 4.4Å; L322-Y439 HydrophobicContact CB-CD2 4.41Å; L322-Y439 HydrophobicContact CB-CE2 3.88Å; L322-Y439 HydrophobicContact CD1-CD1 4.33Å; L322-Y439 HydrophobicContact CD1-CD2 4.37Å; L322-Y439 HydrophobicContact CD1-CE1 4.39Å; L322-Y439 HydrophobicContact CD1-CE2 4.41Å; L322-Y439 HydrophobicContact CD1-CG 4.34Å; V325-Y439 HydrophobicContact CG2-CD2 4.46Å; Y431-Y439 CarbonylContact C-O 3.56Å; Y431-Y439 WeakPolarHBondContact CA-O 3.44Å; Y431-Y439 WeakPolarHBondContact CB-O 3.33Å; V432-Y439 PolarHBondContact N-O 3.47Å; V432-Y439 PolarHBondContact O-N 2.93Å; Y439-A457 HydrophobicContact CD1-CB 4.38Å; Y439-A457 HydrophobicContact CD2-CB 4.21Å; Y439-A457 HydrophobicContact CE1-CB 3.77Å; Y439-A457 HydrophobicContact CE2-CB 3.58Å; Y439-V458 WeakPolarHBondContact CA-O 3.43Å; Y439-V459 HydrophobicContact CD2-CG2 3.79Å; Y439-V459 HydrophobicContact CE2-CG2 4.42Å
440	I	98.9	Very high	98.3	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.9	176.9	-58	167.6	0	0	0	107.5	L93 M241 F243 A457 V458 L480	L93-I440 HydrophobicContact CD1-CD1 3.62Å; M241-I440 HydrophobicContact CG-CG2 4.34Å; F243-I440 HydrophobicContact CB-CD1 4.05Å; I440-A457 CarbonylContact O-C 3.49Å; I440-A457 VanDerWaalsContact O-CA 3.24Å; I440-A457 WeakPolarHBondContact O-CA 3.43Å; I440-A457 WeakPolarHBondContact O-CB 3.36Å; I440-V458 HydrophobicContact CB-CG1 3.98Å; I440-V458 PolarHBondContact N-O 3.3Å; I440-V458 PolarHBondContact O-N 3.34Å; I440-L480 HydrophobicContact CD1-CD2 4.18Å; I440-L480 HydrophobicContact CG1-CD2 3.92Å
441	G	98.4	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	-169.2	-172.9	0	0	0	0	0	115.2	K430 A456	K430-G441 PolarHBondContact O-N 3.23Å; G441-A456 VanDerWaalsContact CA-O 3.32Å; G441-A456 WeakPolarHBondContact CA-O 3.26Å
442	T	98.5	Very high	98.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-108.9	-6.7	-177.9	63.7	0	0	0	0	113.3	H212 T213 K214 G226 G455 A456	H212-T442 PolarHBondContact CE1-O 3.09Å; H212-T442 PolarHBondContact ND1-O 3.2Å; T213-T442 HydrophobicContact CG2-CG2 4.26Å; K214-T442 HydrophobicContact CD-CG2 4.21Å; G226-T442 WeakPolarHBondContact O-CG2 3.39Å; T442-G455 VanDerWaalsContact OG1-CA 3.31Å; T442-G455 WeakPolarHBondContact OG1-CA 3.43Å; T442-A456 PolarHBondContact N-O 2.98Å; T442-A456 PolarHBondContact OG1-N 2.79Å; T442-A456 PolarHBondContact OG1-O 2.72Å
443	S	98.5	Very high	98.1	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.007	5%	0.045	C	C	.	.			trans	-99	122	-164.6	-58.2	0	0	0	0	111.9	D318 K430	D318-S443 PolarHBondContact OD2-OG 2.89Å; K430-S443 WeakPolarHBondContact CB-O 3.34Å; K430-S443 VanDerWaalsContact CG-O 3.31Å; K430-S443 WeakPolarHBondContact CG-O 3.46Å
444	N	98.2	Very high	98.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.			trans	-67.4	159	168.5	-66.6	-47.4	0	0	0	110	V337 M338 D339 K430 V446 Y449 F450	V337-N444 HydrophobicContact CG2-CB 4.46Å; M338-N444 VanDerWaalsContact CE-ND2 3.29Å; M338-N444 WeakPolarHBondContact CE-ND2 3.44Å; D339-N444 HydrophobicContact CB-CB 4.14Å; K430-N444 WeakPolarHBondContact CE-OD1 3.27Å; K430-N444 PolarHBondContact NZ-OD1 2.94Å; N444-V446 HydrophobicContact CB-CG2 4.39Å; N444-V446 PolarHBondContact O-N 3.45Å; N444-Y449 HydrophobicContact CB-CD2 3.89Å; N444-Y449 HydrophobicContact CB-CE1 4.4Å; N444-Y449 HydrophobicContact CB-CE2 3.73Å; N444-Y449 HydrophobicContact CB-CG 4.28Å; N444-Y449 PolarHBondContact ND2-OH 3.46Å; N444-F450 VanDerWaalsContact O-CE2 3.31Å; N444-F450 WeakPolarHBondContact O-CE2 3.49Å
445	F	98.3	Very high	98.1	Very high	3 Å²	3	8.7 Å²	8.7	1%	0.013	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	61.4	-176.3	-76.1	18	0	0	0	110.3	L322 V335 V337 D339 Y340 M341 I356 V432 F450	L322-F445 HydrophobicContact CD1-CE1 4.35Å; L322-F445 HydrophobicContact CD1-CE2 4.46Å; L322-F445 HydrophobicContact CD1-CZ 3.73Å; L322-F445 HydrophobicContact CD2-CD1 4.28Å; L322-F445 HydrophobicContact CD2-CE1 3.7Å; L322-F445 HydrophobicContact CD2-CE2 4.23Å; L322-F445 HydrophobicContact CD2-CZ 3.67Å; L322-F445 HydrophobicContact CG-CZ 4.35Å; V335-F445 HydrophobicContact CB-CE2 4.5Å; V335-F445 HydrophobicContact CG1-CD2 3.9Å; V335-F445 HydrophobicContact CG1-CE2 3.36Å; V335-F445 HydrophobicContact CG1-CZ 3.98Å; V335-F445 HydrophobicContact CG2-CE2 4.33Å; V337-F445 HydrophobicContact CB-CD1 4.43Å; V337-F445 HydrophobicContact CB-CG 4.39Å; V337-F445 HydrophobicContact CG1-CB 4.26Å; V337-F445 HydrophobicContact CG1-CD2 4.31Å; V337-F445 HydrophobicContact CG1-CG 4.17Å; V337-F445 HydrophobicContact CG2-CB 4.29Å; V337-F445 HydrophobicContact CG2-CD1 3.9Å; V337-F445 HydrophobicContact CG2-CG 4.11Å; D339-F445 PolarHBondContact O-N 3.31Å; Y340-F445 HydrophobicContact CD2-CB 3.99Å; Y340-F445 HydrophobicContact CD2-CD2 4.23Å; M341-F445 PolarHBondContact N-O 3.05Å; I356-F445 HydrophobicContact CD1-CB 4.11Å; I356-F445 HydrophobicContact CD1-CD1 4.33Å; I356-F445 HydrophobicContact CD1-CD2 4.32Å; I356-F445 HydrophobicContact CD1-CG 4.02Å; I356-F445 HydrophobicContact CG2-CD2 3.73Å; I356-F445 HydrophobicContact CG2-CE2 4.06Å; I356-F445 HydrophobicContact CG2-CG 4.44Å; V432-F445 HydrophobicContact CG2-CE2 4.12Å; V432-F445 HydrophobicContact CG2-CZ 3.57Å; F445-F450 HydrophobicContact CD1-CZ 4.32Å
446	V	98.4	Very high	98.2	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.006	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.7	179.9	-172.4	0	0	0	0	107.7	D339 M341 V343 N444 D448 Y449	D339-V446 HydrophobicContact CB-CG2 3.96Å; M341-V446 HydrophobicContact CB-CG1 4.48Å; M341-V446 HydrophobicContact CB-CG2 4.06Å; M341-V446 HydrophobicContact CE-CG1 4.16Å; M341-V446 HydrophobicContact CE-CG2 3.69Å; M341-V446 HydrophobicContact CG-CG2 4.44Å; M341-V446 WeakPolarHBondContact O-CA 3.42Å; V343-V446 HydrophobicContact CG2-CG1 4.49Å; V343-V446 WeakPolarHBondContact O-CG1 3.41Å; N444-V446 HydrophobicContact CB-CG2 4.39Å; N444-V446 PolarHBondContact O-N 3.45Å; V446-D448 PolarHBondContact O-N 3.27Å; V446-D448 VanDerWaalsContact O-N 3.08Å; V446-Y449 HydrophobicContact CB-CD2 4Å; V446-Y449 HydrophobicContact CB-CE2 4.35Å; V446-Y449 WeakPolarHBondContact O-CB 3.3Å; V446-Y449 PolarHBondContact O-N 2.73Å
447	G	98.3	Very high	98.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.6	-167.2	0	0	0	0	0	115	V343 W353 Y449 F450 L451	V343-G447 PolarHBondContact O-N 2.81Å; W353-G447 VanDerWaalsContact CZ3-CA 3.45Å; G447-Y449 PolarHBondContact O-N 3.43Å; G447-F450 PolarHBondContact O-N 2.97Å; G447-F450 VanDerWaalsContact O-N 3.11Å; G447-L451 WeakPolarHBondContact O-CB 3.34Å; G447-L451 VanDerWaalsContact O-CG 3.25Å; G447-L451 WeakPolarHBondContact O-CG 3.45Å; G447-L451 PolarHBondContact O-N 3.01Å
448	D	98.2	Very high	98.4	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.011	3%	0.028	C	C	.	.	H	α-helix	trans	-56.5	-35.3	177.6	-51.8	-101	0	0	0	112.7	V344 Y345 Y346 A347 V446 F450 L451 T452 T453	V344-D448 WeakPolarHBondContact CA-OD2 3.38Å; V344-D448 WeakPolarHBondContact CG1-OD1 3.27Å; Y345-D448 PolarHBondContact N-OD2 3.12Å; Y346-D448 WeakPolarHBondContact CA-OD1 3.03Å; Y346-D448 WeakPolarHBondContact CB-OD1 3.48Å; Y346-D448 HydrophobicContact CD2-CB 3.92Å; Y346-D448 PolarHBondContact N-OD1 3.37Å; Y346-D448 PolarHBondContact N-OD2 2.95Å; A347-D448 PolarHBondContact N-OD1 3.24Å; V446-D448 PolarHBondContact O-N 3.27Å; V446-D448 VanDerWaalsContact O-N 3.08Å; D448-F450 PolarHBondContact O-N 3.38Å; D448-L451 PolarHBondContact O-N 2.9Å; D448-T452 PolarHBondContact O-N 2.71Å; D448-T452 VanDerWaalsContact O-N 3.08Å; D448-T452 PolarHBondContact O-OG1 3.13Å; D448-T453 WeakPolarHBondContact O-CB 3.31Å; D448-T453 PolarHBondContact O-N 2.93Å; D448-T453 VanDerWaalsContact O-N 3.1Å; D448-T453 PolarHBondContact O-OG1 3.37Å
449	Y	98.3	Very high	98.4	Very high	23 Å²	23	5.5 Å²	5.5	9%	0.09	3%	0.028	C	C	.	.	H	α-helix	trans	-68.4	-22.7	-178.3	-73.4	-92.1	0	0	0	113.6	H212 S306 Y346 N444 V446 G447 T453	H212-Y449 AromaticContact CE1-CE1 3.64Å; H212-Y449 AromaticContact CG-CE1 3.88Å; H212-Y449 AromaticContact ND1-CD1 3.94Å; H212-Y449 AromaticContact ND1-CE1 3.61Å; H212-Y449 AromaticContact NE2-CE1 3.92Å; S306-Y449 PolarHBondContact OG-O 3.38Å; Y346-Y449 HydrophobicContact CE2-CE2 4.15Å; N444-Y449 HydrophobicContact CB-CD2 3.89Å; N444-Y449 HydrophobicContact CB-CE1 4.4Å; N444-Y449 HydrophobicContact CB-CE2 3.73Å; N444-Y449 HydrophobicContact CB-CG 4.28Å; N444-Y449 PolarHBondContact ND2-OH 3.46Å; V446-Y449 HydrophobicContact CB-CD2 4Å; V446-Y449 HydrophobicContact CB-CE2 4.35Å; V446-Y449 WeakPolarHBondContact O-CB 3.3Å; V446-Y449 PolarHBondContact O-N 2.73Å; G447-Y449 PolarHBondContact O-N 3.43Å; Y449-T453 HydrophobicContact CD1-CG2 4.03Å
450	F	98.5	Very high	98.4	Very high	5 Å²	5	5.5 Å²	5.5	2%	0.022	3%	0.028	C	C	.	.	H	α-helix	trans	-102	-24.9	-180	-61.1	-81.8	0	0	0	112.7	D318 I319 L322 W353 I356 N444 F445 G447 D448	D318-F450 HydrophobicContact CB-CD1 4.08Å; D318-F450 HydrophobicContact CB-CE1 4.37Å; I319-F450 HydrophobicContact CB-CB 4.05Å; I319-F450 HydrophobicContact CB-CD1 3.79Å; I319-F450 HydrophobicContact CB-CG 4.12Å; I319-F450 HydrophobicContact CD1-CD1 4.26Å; I319-F450 HydrophobicContact CD1-CG 4.37Å; L322-F450 HydrophobicContact CD2-CE1 3.98Å; L322-F450 HydrophobicContact CD2-CZ 3.71Å; W353-F450 HydrophobicContact CH2-CB 4.07Å; W353-F450 AromaticContact CH2-CD2 3.68Å; W353-F450 HydrophobicContact CH2-CD2 3.68Å; W353-F450 HydrophobicContact CH2-CE2 4.42Å; W353-F450 AromaticContact CH2-CG 4Å; W353-F450 HydrophobicContact CH2-CG 4Å; W353-F450 HydrophobicContact CZ2-CB 4.35Å; W353-F450 AromaticContact CZ3-CD2 3.99Å; W353-F450 HydrophobicContact CZ3-CD2 3.99Å; I356-F450 HydrophobicContact CD1-CD2 4.23Å; I356-F450 HydrophobicContact CD1-CE2 3.5Å; I356-F450 VanDerWaalsContact CD1-CE2 3.5Å; I356-F450 HydrophobicContact CD1-CZ 3.78Å; N444-F450 VanDerWaalsContact O-CE2 3.31Å; N444-F450 WeakPolarHBondContact O-CE2 3.49Å; F445-F450 HydrophobicContact CD1-CZ 4.32Å; G447-F450 PolarHBondContact O-N 2.97Å; G447-F450 VanDerWaalsContact O-N 3.11Å; D448-F450 PolarHBondContact O-N 3.38Å
451	L	97.8	Very high	98.3	Very high	52 Å²	52	9.7 Å²	9.7	27%	0.272	4%	0.044	S	C	.	.	H	α-helix	trans	-101.8	-33.6	-170.2	-63.9	176.6	0	0	0	114.6	P307 V344 W353 G447 D448	P307-L451 WeakPolarHBondContact CB-O 3.27Å; V344-L451 HydrophobicContact CG2-CD1 3.62Å; W353-L451 HydrophobicContact CG-CD1 4.38Å; G447-L451 WeakPolarHBondContact O-CB 3.34Å; G447-L451 VanDerWaalsContact O-CG 3.25Å; G447-L451 WeakPolarHBondContact O-CG 3.45Å; G447-L451 PolarHBondContact O-N 3.01Å; D448-L451 PolarHBondContact O-N 2.9Å
452	T	97.2	Very high	98.2	Very high	19 Å²	19	9.7 Å²	9.7	12%	0.117	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-12.9	-172.5	59.9	0	0	0	0	114.8	H202 F206 S208 D448	H202-T452 PolarHBondContact CD2-O 2.86Å; H202-T452 VanDerWaalsContact CD2-O 3.27Å; F206-T452 HydrophobicContact CB-CG2 3.87Å; F206-T452 WeakPolarHBondContact CD2-O 3.19Å; S208-T452 PolarHBondContact OG-OG1 2.88Å; D448-T452 PolarHBondContact O-N 2.71Å; D448-T452 VanDerWaalsContact O-N 3.08Å; D448-T452 PolarHBondContact O-OG1 3.13Å
453	T	98.1	Very high	97.4	Very high	6 Å²	6	10.5 Å²	10.5	4%	0.037	5%	0.049	C	C	.	.	S	Bend	trans	-101.8	138.7	-178	-69.4	0	0	0	0	109.7	G209 V210 H212 S306 P307 D448 Y449 G455	G209-T453 WeakPolarHBondContact CA-OG1 3.27Å; V210-T453 HydrophobicContact CG2-CG2 3.96Å; V210-T453 WeakPolarHBondContact O-CA 3.24Å; V210-T453 WeakPolarHBondContact O-CG2 3.32Å; H212-T453 HydrophobicContact CB-CG2 3.39Å; S306-T453 CarbonylContact C-O 2.99Å; S306-T453 PolarHBondContact OG-O 3.34Å; S306-T453 VanDerWaalsContact OG-O 3.07Å; P307-T453 WeakPolarHBondContact CD-O 3.4Å; D448-T453 WeakPolarHBondContact O-CB 3.31Å; D448-T453 PolarHBondContact O-N 2.93Å; D448-T453 VanDerWaalsContact O-N 3.1Å; D448-T453 PolarHBondContact O-OG1 3.37Å; Y449-T453 HydrophobicContact CD1-CG2 4.03Å; T453-G455 PolarHBondContact O-N 2.89Å
454	A	98.5	Very high	96.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-73.1	118.4	172.2	0	0	0	0	0	111.1	H202 V210 M211 H212 T213 Y262 S306 F310	H202-A454 VanDerWaalsContact NE2-CB 3.25Å; H202-A454 WeakPolarHBondContact NE2-CB 3.24Å; H202-A454 PolarHBondContact NE2-N 3Å; V210-A454 PolarHBondContact O-N 3.07Å; M211-A454 HydrophobicContact SD-CB 3.43Å; M211-A454 WeakPolarHBondContact SD-CB 3.5Å; H212-A454 CarbonylContact C-O 3.55Å; H212-A454 VanDerWaalsContact CA-O 3.23Å; H212-A454 WeakPolarHBondContact CA-O 3.35Å; H212-A454 VanDerWaalsContact CB-O 3.29Å; H212-A454 WeakPolarHBondContact CB-O 3.14Å; H212-A454 PolarHBondContact N-O 3.01Å; T213-A454 PolarHBondContact N-O 3.35Å; T213-A454 PolarHBondContact OG1-O 2.95Å; Y262-A454 HydrophobicContact CE1-CB 4.03Å; S306-A454 VanDerWaalsContact O-CA 3.27Å; S306-A454 WeakPolarHBondContact O-CA 3.35Å; F310-A454 HydrophobicContact CD2-CB 4.12Å; F310-A454 HydrophobicContact CE2-CB 4.01Å
455	G	98.2	Very high	95.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161.1	178.5	0	0	0	0	0	110.1	T213 Y262 S305 S306 T442 T453	T213-G455 WeakPolarHBondContact OG1-CA 3.32Å; Y262-G455 PolarHBondContact OH-O 3.24Å; S305-G455 CarbonylContact C-O 3.54Å; S305-G455 WeakPolarHBondContact CA-O 3.17Å; S306-G455 PolarHBondContact N-O 3.06Å; S306-G455 PolarHBondContact O-N 2.55Å; S306-G455 WeakPolarHBondContact OG-CA 3.26Å; S306-G455 PolarHBondContact OG-N 2.9Å; S306-G455 PolarHBondContact OG-O 2.77Å; T442-G455 VanDerWaalsContact OG1-CA 3.31Å; T442-G455 WeakPolarHBondContact OG1-CA 3.43Å; T453-G455 PolarHBondContact O-N 2.89Å
456	A	98.6	Very high	94.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.6	171.8	0	0	0	0	0	110.2	T213 M215 I225 S304 G441 T442	T213-A456 HydrophobicContact CG2-CB 3.69Å; M215-A456 HydrophobicContact CE-CB 4.39Å; I225-A456 HydrophobicContact CD1-CB 3.78Å; S304-A456 VanDerWaalsContact O-CA 3.25Å; S304-A456 WeakPolarHBondContact O-CA 3.43Å; S304-A456 WeakPolarHBondContact O-CB 3.35Å; G441-A456 VanDerWaalsContact CA-O 3.32Å; G441-A456 WeakPolarHBondContact CA-O 3.26Å; T442-A456 PolarHBondContact N-O 2.98Å; T442-A456 PolarHBondContact OG1-N 2.79Å; T442-A456 PolarHBondContact OG1-O 2.72Å
457	A	98.9	Very high	93.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.3	172.9	0	0	0	0	0	111.1	F303 S304 D318 Y439 I440	F303-A457 CarbonylContact C-O 3.59Å; F303-A457 VanDerWaalsContact CA-O 3.27Å; F303-A457 WeakPolarHBondContact CA-O 3.06Å; S304-A457 PolarHBondContact N-O 3.06Å; S304-A457 PolarHBondContact O-N 3.17Å; D318-A457 WeakPolarHBondContact OD1-CB 3.44Å; D318-A457 PolarHBondContact OD1-N 3.23Å; Y439-A457 HydrophobicContact CD1-CB 4.38Å; Y439-A457 HydrophobicContact CD2-CB 4.21Å; Y439-A457 HydrophobicContact CE1-CB 3.77Å; Y439-A457 HydrophobicContact CE2-CB 3.58Å; I440-A457 CarbonylContact O-C 3.49Å; I440-A457 VanDerWaalsContact O-CA 3.24Å; I440-A457 WeakPolarHBondContact O-CA 3.43Å; I440-A457 WeakPolarHBondContact O-CB 3.36Å
458	V	98.9	Very high	91.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.4	165.3	64.7	0	0	0	0	108.8	I225 F243 V301 F303 Y439 I440 I460	I225-V458 HydrophobicContact CG2-CB 4.13Å; I225-V458 HydrophobicContact CG2-CG1 3.94Å; F243-V458 HydrophobicContact CB-CG1 4.04Å; F243-V458 HydrophobicContact CD1-CB 4.41Å; F243-V458 HydrophobicContact CD1-CG1 3.81Å; F243-V458 HydrophobicContact CD1-CG2 4.15Å; F243-V458 HydrophobicContact CE1-CG2 4.2Å; F243-V458 HydrophobicContact CG-CG1 4.14Å; V301-V458 HydrophobicContact CG1-CG2 3.71Å; F303-V458 HydrophobicContact CD1-CB 3.78Å; F303-V458 HydrophobicContact CD1-CG2 3.95Å; F303-V458 HydrophobicContact CE1-CB 3.68Å; F303-V458 HydrophobicContact CE1-CG2 3.61Å; F303-V458 HydrophobicContact CZ-CG2 4.35Å; Y439-V458 WeakPolarHBondContact CA-O 3.43Å; I440-V458 HydrophobicContact CB-CG1 3.98Å; I440-V458 PolarHBondContact N-O 3.3Å; I440-V458 PolarHBondContact O-N 3.34Å; V458-I460 HydrophobicContact CG1-CD1 4.43Å; V458-I460 HydrophobicContact CG2-CD1 4.3Å; V458-I460 HydrophobicContact CG2-CG1 3.87Å
459	V	98.9	Very high	90.5	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.7	170	-175.7	0	0	0	0	108.3	V301 Y302 A321 V325 T437 A438 Y439	V301-V459 VanDerWaalsContact CA-O 3.29Å; V301-V459 WeakPolarHBondContact CA-O 3.31Å; Y302-V459 HydrophobicContact CD1-CB 4.07Å; Y302-V459 HydrophobicContact CD1-CG1 4.44Å; Y302-V459 HydrophobicContact CD2-CB 4.38Å; Y302-V459 HydrophobicContact CD2-CG2 4.47Å; Y302-V459 HydrophobicContact CE1-CB 3.59Å; Y302-V459 HydrophobicContact CE1-CG1 3.62Å; Y302-V459 HydrophobicContact CE1-CG2 4.27Å; Y302-V459 HydrophobicContact CE2-CB 3.94Å; Y302-V459 HydrophobicContact CE2-CG2 3.77Å; Y302-V459 HydrophobicContact CG-CB 4.44Å; Y302-V459 PolarHBondContact N-O 3.17Å; Y302-V459 VanDerWaalsContact N-O 3.08Å; Y302-V459 PolarHBondContact O-N 3.42Å; A321-V459 HydrophobicContact CB-CG2 4.21Å; V325-V459 HydrophobicContact CG2-CG1 3.89Å; V325-V459 HydrophobicContact CG2-CG2 4.48Å; T437-V459 HydrophobicContact CG2-CG1 3.69Å; A438-V459 CarbonylContact O-C 3.53Å; A438-V459 WeakPolarHBondContact O-CA 3.48Å; Y439-V459 HydrophobicContact CD2-CG2 3.79Å; Y439-V459 HydrophobicContact CE2-CG2 4.42Å
460	I	98.7	Very high	89.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.3	-178.1	-54.5	167.1	0	0	0	107.4	F243 L294 V301 T437 A438 V458 Q462 I476	F243-I460 HydrophobicContact CD1-CD1 4.12Å; F243-I460 HydrophobicContact CD2-CD1 3.9Å; F243-I460 HydrophobicContact CE1-CD1 3.74Å; F243-I460 HydrophobicContact CE2-CD1 3.53Å; F243-I460 HydrophobicContact CG-CD1 4.17Å; F243-I460 HydrophobicContact CZ-CD1 3.41Å; F243-I460 VanDerWaalsContact CZ-CD1 3.41Å; F243-I460 HydrophobicContact CZ-CG1 4.45Å; L294-I460 HydrophobicContact CD1-CG2 3.92Å; V301-I460 HydrophobicContact CG1-CG1 4.34Å; V301-I460 HydrophobicContact CG2-CG1 4.33Å; V301-I460 HydrophobicContact CG2-CG2 4.27Å; T437-I460 CarbonylContact C-O 3.53Å; T437-I460 WeakPolarHBondContact CA-O 3.36Å; A438-I460 HydrophobicContact CB-CB 4.46Å; A438-I460 PolarHBondContact N-O 2.7Å; A438-I460 PolarHBondContact O-N 2.89Å; V458-I460 HydrophobicContact CG1-CD1 4.43Å; V458-I460 HydrophobicContact CG2-CD1 4.3Å; V458-I460 HydrophobicContact CG2-CG1 3.87Å; I460-Q462 HydrophobicContact CG2-CG 4.17Å; I460-I476 HydrophobicContact CD1-CB 4.42Å; I460-I476 HydrophobicContact CD1-CG2 3.75Å
461	R	97.9	Very high	88.2	Confident	89 Å²	89	47.6 Å²	47.6	34%	0.336	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.2	175.4	173	177.4	142.6	127.1	6.7	109.3	E300 N436 T437	E300-R461 HydrophobicContact CB-CB 4.16Å; E300-R461 PolarHBondContact N-O 3.24Å; E300-R461 PolarHBondContact O-N 3.05Å; E300-R461 WeakPolarHBondContact OE2-CD 3.29Å; E300-R461 IonicContact OE2-CZ 3.26Å; E300-R461 IonicContact OE2-NE 3.31Å; E300-R461 PolarHBondContact OE2-NE 2.97Å; E300-R461 IonicContact OE2-NH2 3.51Å; N436-R461 CarbonylContact O-C 3.46Å; N436-R461 WeakPolarHBondContact O-CA 3.34Å; T437-R461 HydrophobicContact CG2-CB 4.38Å
462	Q	95.7	Very high	87.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.			trans	-127.2	98.8	177.9	-70.2	-178.3	-40.1	0	0	107.6	V297 S299 N436 I460 M464 I467 S475 V477	V297-Q462 HydrophobicContact CG1-CG 4.3Å; S299-Q462 WeakPolarHBondContact OG-CG 3.27Å; S299-Q462 PolarHBondContact OG-NE2 2.98Å; N436-Q462 PolarHBondContact O-N 2.97Å; I460-Q462 HydrophobicContact CG2-CG 4.17Å; Q462-M464 HydrophobicContact CB-CE 4.38Å; Q462-M464 WeakPolarHBondContact O-CE 3.46Å; Q462-M464 PolarHBondContact O-N 3.29Å; Q462-M464 VanDerWaalsContact O-N 3.11Å; Q462-I467 HydrophobicContact CB-CD1 4.32Å; Q462-S475 PolarHBondContact OE1-OG 3.25Å; Q462-V477 HydrophobicContact CB-CG2 3.99Å; Q462-V477 HydrophobicContact CG-CG2 4.18Å
463	P	82	Confident	86.6	Confident	16 Å²	16	54.2 Å²	54.2	10%	0.104	28%	0.277	C	S	.	.			trans	-62.7	116	177.4	-17.6	30.7	0	0	0	109.1	E465 L466	P463-E465 WeakPolarHBondContact CB-OE2 3.14Å; P463-E465 PolarHBondContact O-N 2.93Å; P463-E465 VanDerWaalsContact O-N 3.12Å; P463-L466 HydrophobicContact CB-CD1 3.93Å; P463-L466 HydrophobicContact CB-CG 4.07Å; P463-L466 HydrophobicContact CG-CD1 3.81Å; P463-L466 HydrophobicContact CG-CG 4.5Å; P463-L466 WeakPolarHBondContact O-CB 3.33Å; P463-L466 PolarHBondContact O-N 3.33Å
464	M	77	Confident	86.1	Confident	65 Å²	65	57.5 Å²	57.5	32%	0.32	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-61.3	-24.7	-173.2	-66.9	-70.2	137.8	0	0	112.2	E435 Q462 L466 I467 V477	E435-M464 VanDerWaalsContact O-CG 3.32Å; E435-M464 WeakPolarHBondContact O-CG 3.28Å; Q462-M464 HydrophobicContact CB-CE 4.38Å; Q462-M464 WeakPolarHBondContact O-CE 3.46Å; Q462-M464 PolarHBondContact O-N 3.29Å; Q462-M464 VanDerWaalsContact O-N 3.11Å; M464-L466 PolarHBondContact O-N 2.77Å; M464-I467 HydrophobicContact CE-CD1 3.77Å; M464-I467 PolarHBondContact O-N 3.25Å; M464-I467 HydrophobicContact SD-CD1 3.63Å; M464-V477 HydrophobicContact CE-CB 3.93Å; M464-V477 HydrophobicContact CE-CG1 3.89Å
465	E	78.4	Confident	85.9	Confident	153 Å²	153	57.5 Å²	57.5	72%	0.715	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.8	176.2	-49	89	-178.1	0	0	113	P463	P463-E465 WeakPolarHBondContact CB-OE2 3.14Å; P463-E465 PolarHBondContact O-N 2.93Å; P463-E465 VanDerWaalsContact O-N 3.12Å
466	L	74.9	Confident	85.8	Confident	89 Å²	89	57.5 Å²	57.5	47%	0.466	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-90.9	-6.3	178.9	-57.1	178.7	0	0	0	112.7	P463 M464 H468	P463-L466 HydrophobicContact CB-CD1 3.93Å; P463-L466 HydrophobicContact CB-CG 4.07Å; P463-L466 HydrophobicContact CG-CD1 3.81Å; P463-L466 HydrophobicContact CG-CG 4.5Å; P463-L466 WeakPolarHBondContact O-CB 3.33Å; P463-L466 PolarHBondContact O-N 3.33Å; M464-L466 PolarHBondContact O-N 2.77Å; L466-H468 PolarHBondContact O-N 2.91Å
467	I	76.1	Confident	85.8	Confident	20 Å²	20	57.6 Å²	57.6	10%	0.103	29%	0.292	C	S	.	.			trans	-90	102	179.1	-51.2	-174	0	0	0	107.9	V297 Q462 M464 R471	V297-I467 HydrophobicContact CG1-CD1 4.05Å; V297-I467 HydrophobicContact CG1-CG1 4.01Å; Q462-I467 HydrophobicContact CB-CD1 4.32Å; M464-I467 HydrophobicContact CE-CD1 3.77Å; M464-I467 PolarHBondContact O-N 3.25Å; M464-I467 HydrophobicContact SD-CD1 3.63Å; I467-R471 HydrophobicContact CG2-CB 4.13Å
468	H	69.8	Low	85.6	Confident	144 Å²	144	58.4 Å²	58.4	67%	0.667	30%	0.299	S	S	*	.			trans	-94.8	141.2	-178.4	-60.9	-48.6	0	0	0	112.6	L466	L466-H468 PolarHBondContact O-N 2.91Å
469	G	68.7	Low	85.4	Confident	66 Å²	66	59.1 Å²	59.1	68%	0.68	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	69.3	-146	173.4	0	0	0	0	0	113.5	R471	G469-R471 PolarHBondContact O-N 3.48Å
470	N	68.9	Low	85.4	Confident	153 Å²	153	59 Å²	59	82%	0.818	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-76.5	6.9	179.7	-84	-2.1	0	0	0	114.1	T472	N470-T472 PolarHBondContact O-N 3.4Å
471	R	79	Confident	85.3	Confident	124 Å²	124	60.6 Å²	60.6	47%	0.468	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-69.9	-1.9	-176	-71.3	-163.4	-179.8	-169.3	-0.3	115.3	G296 I467 G469 Q473 E474 S475	G296-R471 PolarHBondContact O-NH1 3.4Å; I467-R471 HydrophobicContact CG2-CB 4.13Å; G469-R471 PolarHBondContact O-N 3.48Å; R471-Q473 PolarHBondContact O-N 2.88Å; R471-E474 WeakPolarHBondContact CA-OE2 3.11Å; R471-E474 PolarHBondContact O-N 3.04Å; R471-E474 VanDerWaalsContact O-OE2 3.07Å; R471-S475 PolarHBondContact O-N 3.41Å
472	T	78.5	Confident	85.2	Confident	67 Å²	67	60.8 Å²	60.8	41%	0.411	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-61.5	-27.7	177.6	-45.7	0	0	0	0	111.8	N470 E474 S475 A478	N470-T472 PolarHBondContact O-N 3.4Å; T472-E474 VanDerWaalsContact C-N 3.28Å; T472-E474 PolarHBondContact O-N 3.21Å; T472-S475 WeakPolarHBondContact O-CB 3.42Å; T472-S475 PolarHBondContact O-N 2.97Å; T472-A478 HydrophobicContact CG2-CB 4.14Å; T472-A478 VanDerWaalsContact O-CB 3.31Å; T472-A478 WeakPolarHBondContact O-CB 3.23Å
473	Q	82.3	Confident	85.3	Confident	144 Å²	144	60.9 Å²	60.9	67%	0.673	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-75.1	-18.5	179.6	-64.7	-169.4	-14.7	0	0	113.5	K108 R471 Q479	K108-Q473 PolarHBondContact NZ-O 3.38Å; R471-Q473 PolarHBondContact O-N 2.88Å; Q473-Q479 PolarHBondContact O-NE2 3.27Å
474	E	88.6	Confident	86.1	Confident	74 Å²	74	60.1 Å²	60.1	35%	0.346	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-17.4	178	-64	87.2	151.8	0	0	111.7	N295 V297 R471 T472 I476 Q479	N295-E474 HydrophobicContact CB-CB 4.24Å; V297-E474 HydrophobicContact CG2-CB 3.97Å; R471-E474 WeakPolarHBondContact CA-OE2 3.11Å; R471-E474 PolarHBondContact O-N 3.04Å; R471-E474 VanDerWaalsContact O-OE2 3.07Å; T472-E474 VanDerWaalsContact C-N 3.28Å; T472-E474 PolarHBondContact O-N 3.21Å; E474-I476 PolarHBondContact O-N 2.88Å; E474-Q479 PolarHBondContact O-NE2 3.08Å; E474-Q479 VanDerWaalsContact O-NE2 3.17Å
475	S	94.8	Very high	87	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.309	C	S	.	.			trans	-60	127.5	173.4	174.9	0	0	0	0	111	Q462 R471 T472 V477 A478 Q479	Q462-S475 PolarHBondContact OE1-OG 3.25Å; R471-S475 PolarHBondContact O-N 3.41Å; T472-S475 WeakPolarHBondContact O-CB 3.42Å; T472-S475 PolarHBondContact O-N 2.97Å; S475-V477 VanDerWaalsContact C-N 3.32Å; S475-V477 PolarHBondContact OG-N 3.17Å; S475-A478 PolarHBondContact OG-N 2.89Å; S475-A478 VanDerWaalsContact OG-N 3.17Å; S475-Q479 WeakPolarHBondContact O-CB 3.35Å; S475-Q479 WeakPolarHBondContact O-CG 3.43Å; S475-Q479 PolarHBondContact O-N 3.45Å; S475-Q479 PolarHBondContact O-NE2 3.37Å; S475-Q479 VanDerWaalsContact O-NE2 3.13Å
476	I	96.3	Very high	87.9	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.6	-35	176	-62.1	-64.5	0	0	0	110.3	A91 F243 L294 I460 E474 Q479 L480	A91-I476 HydrophobicContact CB-CD1 3.91Å; A91-I476 HydrophobicContact CB-CG1 4.14Å; F243-I476 HydrophobicContact CD2-CG2 4.22Å; F243-I476 HydrophobicContact CE2-CD1 4.06Å; F243-I476 HydrophobicContact CE2-CG1 3.99Å; F243-I476 HydrophobicContact CE2-CG2 4Å; L294-I476 HydrophobicContact CD1-CG1 4.4Å; I460-I476 HydrophobicContact CD1-CB 4.42Å; I460-I476 HydrophobicContact CD1-CG2 3.75Å; E474-I476 PolarHBondContact O-N 2.88Å; I476-Q479 PolarHBondContact O-N 3.37Å; I476-L480 WeakPolarHBondContact O-CB 3.4Å; I476-L480 PolarHBondContact O-N 2.92Å
477	V	96.8	Very high	89	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-46.7	176.2	178	0	0	0	0	110.6	V433 A438 Q462 M464 S475 L480 Q481	V433-V477 HydrophobicContact CG2-CG1 4.11Å; A438-V477 HydrophobicContact CB-CG2 4.06Å; Q462-V477 HydrophobicContact CB-CG2 3.99Å; Q462-V477 HydrophobicContact CG-CG2 4.18Å; M464-V477 HydrophobicContact CE-CB 3.93Å; M464-V477 HydrophobicContact CE-CG1 3.89Å; S475-V477 VanDerWaalsContact C-N 3.32Å; S475-V477 PolarHBondContact OG-N 3.17Å; V477-L480 PolarHBondContact O-N 3.31Å; V477-Q481 WeakPolarHBondContact O-CB 3.35Å; V477-Q481 PolarHBondContact O-N 2.91Å
478	A	94.9	Very high	90.1	Very high	17 Å²	17	48 Å²	48	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-43.8	176.7	0	0	0	0	0	111.7	T472 S475 L480 Q481 D482	T472-A478 HydrophobicContact CG2-CB 4.14Å; T472-A478 VanDerWaalsContact O-CB 3.31Å; T472-A478 WeakPolarHBondContact O-CB 3.23Å; S475-A478 PolarHBondContact OG-N 2.89Å; S475-A478 VanDerWaalsContact OG-N 3.17Å; A478-L480 PolarHBondContact O-N 3.48Å; A478-Q481 WeakPolarHBondContact O-CB 3.27Å; A478-Q481 PolarHBondContact O-N 3.42Å; A478-D482 VanDerWaalsContact O-CG 3.31Å; A478-D482 PolarHBondContact O-N 2.84Å
479	Q	95.9	Very high	91.4	Very high	15 Å²	15	46.4 Å²	46.4	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-44.7	176.6	-76.4	175.1	75.8	0	0	112.8	H110 Q473 E474 S475 I476 Q481 D482 V483	H110-Q479 PolarHBondContact CE1-OE1 3.05Å; Q473-Q479 PolarHBondContact O-NE2 3.27Å; E474-Q479 PolarHBondContact O-NE2 3.08Å; E474-Q479 VanDerWaalsContact O-NE2 3.17Å; S475-Q479 WeakPolarHBondContact O-CB 3.35Å; S475-Q479 WeakPolarHBondContact O-CG 3.43Å; S475-Q479 PolarHBondContact O-N 3.45Å; S475-Q479 PolarHBondContact O-NE2 3.37Å; S475-Q479 VanDerWaalsContact O-NE2 3.13Å; I476-Q479 PolarHBondContact O-N 3.37Å; Q479-Q481 VanDerWaalsContact C-N 3.29Å; Q479-Q481 PolarHBondContact O-N 3.28Å; Q479-D482 PolarHBondContact O-N 3.36Å; Q479-V483 PolarHBondContact O-N 2.96Å
480	L	97.9	Very high	92.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-36.5	176.9	-176.6	61.5	0	0	0	111.6	L93 M241 Y431 V433 A438 I440 I476 V477 A478 V483 F484	L93-L480 HydrophobicContact CD1-CD1 4.07Å; L93-L480 HydrophobicContact CD2-CB 4.46Å; L93-L480 HydrophobicContact CD2-CD1 4.19Å; M241-L480 HydrophobicContact CG-CD1 4.34Å; M241-L480 HydrophobicContact SD-CD1 4.19Å; Y431-L480 HydrophobicContact CD1-CD1 4Å; Y431-L480 HydrophobicContact CD2-CD1 3.78Å; Y431-L480 HydrophobicContact CD2-CD2 3.97Å; Y431-L480 HydrophobicContact CD2-CG 3.99Å; Y431-L480 HydrophobicContact CE1-CD1 4.05Å; Y431-L480 HydrophobicContact CE2-CD1 3.88Å; Y431-L480 HydrophobicContact CE2-CG 4.17Å; Y431-L480 HydrophobicContact CG-CD1 3.86Å; Y431-L480 HydrophobicContact CG-CD2 4.28Å; Y431-L480 HydrophobicContact CG-CG 4.45Å; V433-L480 HydrophobicContact CB-CD2 3.96Å; V433-L480 HydrophobicContact CB-CG 4.09Å; V433-L480 HydrophobicContact CG1-CG 4.49Å; V433-L480 HydrophobicContact CG2-CB 4.38Å; V433-L480 HydrophobicContact CG2-CD2 4.36Å; V433-L480 HydrophobicContact CG2-CG 4.37Å; A438-L480 HydrophobicContact CB-CD2 3.62Å; I440-L480 HydrophobicContact CD1-CD2 4.18Å; I440-L480 HydrophobicContact CG1-CD2 3.92Å; I476-L480 WeakPolarHBondContact O-CB 3.4Å; I476-L480 PolarHBondContact O-N 2.92Å; V477-L480 PolarHBondContact O-N 3.31Å; A478-L480 PolarHBondContact O-N 3.48Å; L480-V483 PolarHBondContact O-N 3.42Å; L480-F484 PolarHBondContact O-N 3.32Å
481	Q	96.8	Very high	94	Very high	34 Å²	34	42.3 Å²	42.3	16%	0.159	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-41.8	173.2	176.1	63.9	10.7	0	0	111.7	F332 N334 V433 V477 A478 Q479 F484 Q485	F332-Q481 HydrophobicContact CZ-CG 4.35Å; N334-Q481 PolarHBondContact ND2-NE2 2.94Å; N334-Q481 PolarHBondContact ND2-OE1 2.93Å; V433-Q481 VanDerWaalsContact CG1-OE1 3.28Å; V433-Q481 HydrophobicContact CG2-CB 4.05Å; V477-Q481 WeakPolarHBondContact O-CB 3.35Å; V477-Q481 PolarHBondContact O-N 2.91Å; A478-Q481 WeakPolarHBondContact O-CB 3.27Å; A478-Q481 PolarHBondContact O-N 3.42Å; Q479-Q481 VanDerWaalsContact C-N 3.29Å; Q479-Q481 PolarHBondContact O-N 3.28Å; Q481-F484 WeakPolarHBondContact O-CB 3.49Å; Q481-F484 PolarHBondContact O-N 3.47Å; Q481-Q485 WeakPolarHBondContact O-CG 3.43Å; Q481-Q485 PolarHBondContact O-N 3Å
482	D	96	Very high	94.9	Very high	93 Å²	93	37 Å²	37	50%	0.497	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-43.4	176	-69.6	-19.3	0	0	0	110.9	A478 Q479 F484 Q485 R486	A478-D482 VanDerWaalsContact O-CG 3.31Å; A478-D482 PolarHBondContact O-N 2.84Å; Q479-D482 PolarHBondContact O-N 3.36Å; D482-F484 VanDerWaalsContact C-N 3.34Å; D482-F484 PolarHBondContact O-N 3.16Å; D482-Q485 PolarHBondContact O-N 3.18Å; D482-R486 VanDerWaalsContact O-CB 3.3Å; D482-R486 WeakPolarHBondContact O-CB 3.21Å; D482-R486 PolarHBondContact O-N 3.18Å
483	V	97.3	Very high	95.8	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-58.4	-46.5	172.6	170.8	0	0	0	0	111.3	L93 H110 M241 Q479 L480 Q485 R486 D487	L93-V483 HydrophobicContact CD2-CB 4.44Å; L93-V483 HydrophobicContact CD2-CG2 3.67Å; H110-V483 WeakPolarHBondContact NE2-CG2 3.42Å; M241-V483 HydrophobicContact CE-CG1 3.68Å; Q479-V483 PolarHBondContact O-N 2.96Å; L480-V483 PolarHBondContact O-N 3.42Å; V483-Q485 PolarHBondContact O-N 2.96Å; V483-R486 PolarHBondContact O-N 3.39Å; V483-D487 WeakPolarHBondContact O-CB 3.18Å; V483-D487 PolarHBondContact O-N 2.82Å
484	F	98.2	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-45.6	177.2	-176.1	-87.9	0	0	0	111.5	N334 V335 A336 K372 L374 Y431 V433 L480 Q481 D482 D487 W488	N334-F484 HydrophobicContact CB-CD1 3.67Å; N334-F484 HydrophobicContact CB-CD2 3.85Å; N334-F484 HydrophobicContact CB-CE1 3.58Å; N334-F484 HydrophobicContact CB-CE2 3.76Å; N334-F484 HydrophobicContact CB-CG 3.8Å; N334-F484 HydrophobicContact CB-CZ 3.62Å; N334-F484 VanDerWaalsContact CG-CE1 3.4Å; V335-F484 WeakPolarHBondContact O-CE2 3.18Å; A336-F484 HydrophobicContact CB-CD2 4.33Å; A336-F484 HydrophobicContact CB-CE2 4.47Å; K372-F484 HydrophobicContact CB-CE1 3.95Å; K372-F484 HydrophobicContact CB-CZ 3.67Å; K372-F484 HydrophobicContact CD-CE1 4.08Å; L374-F484 HydrophobicContact CB-CE2 3.92Å; L374-F484 HydrophobicContact CB-CZ 4.39Å; Y431-F484 HydrophobicContact CE2-CB 4.17Å; Y431-F484 AromaticContact CE2-CD2 3.86Å; Y431-F484 HydrophobicContact CE2-CD2 3.86Å; Y431-F484 HydrophobicContact CE2-CG 4.49Å; Y431-F484 WeakPolarHBondContact OH-CA 3.3Å; V433-F484 HydrophobicContact CG1-CB 4.28Å; L480-F484 PolarHBondContact O-N 3.32Å; Q481-F484 WeakPolarHBondContact O-CB 3.49Å; Q481-F484 PolarHBondContact O-N 3.47Å; D482-F484 VanDerWaalsContact C-N 3.34Å; D482-F484 PolarHBondContact O-N 3.16Å; F484-D487 PolarHBondContact O-N 3.45Å; F484-W488 HydrophobicContact CD1-CB 4.38Å; F484-W488 HydrophobicContact CE1-CB 4.17Å; F484-W488 HydrophobicContact CE1-CD2 4.19Å; F484-W488 AromaticContact CE1-CE3 3.88Å; F484-W488 HydrophobicContact CE1-CE3 3.88Å; F484-W488 HydrophobicContact CE1-CG 4.32Å; F484-W488 HydrophobicContact CZ-CD2 4.39Å; F484-W488 AromaticContact CZ-CE3 3.63Å; F484-W488 HydrophobicContact CZ-CE3 3.63Å; F484-W488 HydrophobicContact CZ-CZ3 4.15Å; F484-W488 WeakPolarHBondContact O-CB 3.45Å; F484-W488 PolarHBondContact O-N 2.88Å
485	Q	97.5	Very high	96.9	Very high	53 Å²	53	33 Å²	33	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-42.4	179.5	-67.9	-51.3	-42.2	0	0	112.3	Q481 D482 V483 D487 W488 N489	Q481-Q485 WeakPolarHBondContact O-CG 3.43Å; Q481-Q485 PolarHBondContact O-N 3Å; D482-Q485 PolarHBondContact O-N 3.18Å; V483-Q485 PolarHBondContact O-N 2.96Å; Q485-D487 VanDerWaalsContact C-N 3.32Å; Q485-D487 PolarHBondContact O-N 2.85Å; Q485-W488 PolarHBondContact O-N 3.06Å; Q485-N489 WeakPolarHBondContact O-CB 3.4Å; Q485-N489 PolarHBondContact O-N 3.32Å; Q485-N489 PolarHBondContact O-ND2 3.32Å
486	R	97.3	Very high	96.6	Very high	16 Å²	16	34 Å²	34	6%	0.06	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-47	175.4	-176.2	-163.9	70	-168.6	-1.8	110.7	E95 Y103 E107 D482 V483 S490	E95-R486 IonicContact OE1-CZ 2.63Å; E95-R486 IonicContact OE1-NH1 3.32Å; E95-R486 IonicContact OE1-NH2 2.64Å; E95-R486 PolarHBondContact OE1-NH2 2.79Å; E95-R486 IonicContact OE2-CZ 2.86Å; E95-R486 IonicContact OE2-NH1 2.85Å; E95-R486 PolarHBondContact OE2-NH1 3.3Å; E95-R486 IonicContact OE2-NH2 2.86Å; E95-R486 PolarHBondContact OE2-NH2 3.42Å; Y103-R486 HydrophobicContact CD1-CG 3.58Å; Y103-R486 HydrophobicContact CE1-CG 3.75Å; Y103-R486 HydrophobicContact CG-CG 4.17Å; E107-R486 HydrophobicContact CB-CG 4.38Å; E107-R486 HydrophobicContact CG-CG 3.87Å; D482-R486 VanDerWaalsContact O-CB 3.3Å; D482-R486 WeakPolarHBondContact O-CB 3.21Å; D482-R486 PolarHBondContact O-N 3.18Å; V483-R486 PolarHBondContact O-N 3.39Å; R486-S490 WeakPolarHBondContact O-CB 3.32Å; R486-S490 PolarHBondContact O-N 3.39Å; R486-S490 VanDerWaalsContact O-N 3.1Å
487	D	97.7	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-44.2	179.6	-66.8	-7.5	0	0	0	111.6	Y103 K239 L374 F409 V483 F484 Q485 N489 S490 A493	Y103-D487 VanDerWaalsContact CZ-OD1 3.31Å; Y103-D487 PolarHBondContact OH-OD1 3.33Å; K239-D487 WeakPolarHBondContact CE-OD2 3.29Å; K239-D487 VanDerWaalsContact NZ-CG 3.3Å; K239-D487 IonicContact NZ-OD1 2.85Å; K239-D487 PolarHBondContact NZ-OD1 2.91Å; K239-D487 VanDerWaalsContact NZ-OD1 3.13Å; K239-D487 IonicContact NZ-OD2 3.9Å; K239-D487 PolarHBondContact NZ-OD2 2.89Å; L374-D487 HydrophobicContact CD2-CB 3.68Å; F409-D487 HydrophobicContact CD2-CB 4.44Å; F409-D487 HydrophobicContact CE2-CB 3.79Å; V483-D487 WeakPolarHBondContact O-CB 3.18Å; V483-D487 PolarHBondContact O-N 2.82Å; F484-D487 PolarHBondContact O-N 3.45Å; Q485-D487 VanDerWaalsContact C-N 3.32Å; Q485-D487 PolarHBondContact O-N 2.85Å; D487-N489 VanDerWaalsContact C-N 3.31Å; D487-N489 PolarHBondContact O-N 2.82Å; D487-S490 WeakPolarHBondContact O-CB 3.43Å; D487-S490 PolarHBondContact O-N 3.03Å; D487-S490 PolarHBondContact O-OG 3.2Å; D487-A493 VanDerWaalsContact O-CB 3.31Å; D487-A493 WeakPolarHBondContact O-CB 3.06Å
488	W	98	Very high	94.2	Very high	5 Å²	5	46 Å²	46	2%	0.019	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-37.8	179	-179.1	-90.9	0	0	0	113.2	K372 L374 Q405 K407 F484 Q485 A493 Y495	K372-W488 HydrophobicContact CB-CE3 4.26Å; K372-W488 HydrophobicContact CB-CH2 3.87Å; K372-W488 HydrophobicContact CB-CZ2 4.46Å; K372-W488 HydrophobicContact CB-CZ3 3.75Å; K372-W488 HydrophobicContact CD-CD2 4.2Å; K372-W488 HydrophobicContact CD-CE3 4.44Å; K372-W488 HydrophobicContact CD-CH2 4.15Å; K372-W488 HydrophobicContact CD-CZ2 3.89Å; K372-W488 HydrophobicContact CD-CZ3 4.42Å; K372-W488 HydrophobicContact CG-CH2 4.03Å; K372-W488 HydrophobicContact CG-CZ2 4.19Å; K372-W488 HydrophobicContact CG-CZ3 4.36Å; L374-W488 HydrophobicContact CB-CE3 4.38Å; L374-W488 HydrophobicContact CD1-CE3 4.2Å; Q405-W488 HydrophobicContact CB-CH2 3.67Å; Q405-W488 HydrophobicContact CB-CZ2 3.79Å; K407-W488 HydrophobicContact CB-CE3 4.38Å; K407-W488 HydrophobicContact CB-CH2 4.24Å; K407-W488 HydrophobicContact CB-CZ3 4Å; K407-W488 HydrophobicContact CD-CD2 4.03Å; K407-W488 HydrophobicContact CD-CE3 4.25Å; K407-W488 HydrophobicContact CD-CH2 4.26Å; K407-W488 HydrophobicContact CD-CZ2 4.04Å; K407-W488 HydrophobicContact CD-CZ3 4.36Å; K407-W488 HydrophobicContact CG-CE3 4.42Å; K407-W488 HydrophobicContact CG-CH2 3.82Å; K407-W488 HydrophobicContact CG-CZ2 3.99Å; K407-W488 HydrophobicContact CG-CZ3 4.04Å; K407-W488 PolarHBondContact NZ-O 3.42Å; F484-W488 HydrophobicContact CD1-CB 4.38Å; F484-W488 HydrophobicContact CE1-CB 4.17Å; F484-W488 HydrophobicContact CE1-CD2 4.19Å; F484-W488 AromaticContact CE1-CE3 3.88Å; F484-W488 HydrophobicContact CE1-CE3 3.88Å; F484-W488 HydrophobicContact CE1-CG 4.32Å; F484-W488 HydrophobicContact CZ-CD2 4.39Å; F484-W488 AromaticContact CZ-CE3 3.63Å; F484-W488 HydrophobicContact CZ-CE3 3.63Å; F484-W488 HydrophobicContact CZ-CZ3 4.15Å; F484-W488 WeakPolarHBondContact O-CB 3.45Å; F484-W488 PolarHBondContact O-N 2.88Å; Q485-W488 PolarHBondContact O-N 3.06Å; W488-A493 WeakPolarHBondContact O-CB 3.36Å; W488-Y495 HydrophobicContact CZ2-CE1 4.46Å
489	N	97.2	Very high	92.3	Very high	110 Å²	110	50.2 Å²	50.2	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-92.9	-2.8	-178.7	-64.3	-51.8	0	0	0	113.3	Q485 D487	Q485-N489 WeakPolarHBondContact O-CB 3.4Å; Q485-N489 PolarHBondContact O-N 3.32Å; Q485-N489 PolarHBondContact O-ND2 3.32Å; D487-N489 VanDerWaalsContact C-N 3.31Å; D487-N489 PolarHBondContact O-N 2.82Å
490	S	96.9	Very high	90.4	Very high	19 Å²	19	56.4 Å²	56.4	13%	0.133	30%	0.301	C	S	.	.	S	Bend	trans	-70.4	163.2	177.7	74.2	0	0	0	0	112.7	R486 D487 Y492 A493	R486-S490 WeakPolarHBondContact O-CB 3.32Å; R486-S490 PolarHBondContact O-N 3.39Å; R486-S490 VanDerWaalsContact O-N 3.1Å; D487-S490 WeakPolarHBondContact O-CB 3.43Å; D487-S490 PolarHBondContact O-N 3.03Å; D487-S490 PolarHBondContact O-OG 3.2Å; S490-Y492 PolarHBondContact O-N 3.33Å; S490-Y492 WeakPolarHBondContact OG-CB 3.44Å; S490-Y492 PolarHBondContact OG-N 3.1Å; S490-A493 PolarHBondContact O-N 2.9Å
491	S	96.5	Very high	87.6	Confident	113 Å²	113	68.4 Å²	68.4	79%	0.79	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.9	170.4	54.1	0	0	0	0	113.7
492	Y	97.8	Very high	87.1	Confident	12 Å²	12	70.2 Å²	70.2	5%	0.047	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.7	178.1	-52.3	-61.9	0	0	0	112.8	M101 T102 F409 T410 P412 Y414 S490	M101-Y492 WeakPolarHBondContact CA-OH 3.35Å; M101-Y492 HydrophobicContact CE-CD2 4.35Å; M101-Y492 HydrophobicContact CE-CE2 4.33Å; M101-Y492 HydrophobicContact CG-CD1 4.34Å; M101-Y492 HydrophobicContact CG-CD2 3.91Å; M101-Y492 HydrophobicContact CG-CE1 3.81Å; M101-Y492 HydrophobicContact CG-CE2 3.32Å; M101-Y492 HydrophobicContact CG-CG 4.39Å; M101-Y492 WeakPolarHBondContact CG-OH 3.34Å; M101-Y492 HydrophobicContact SD-CD2 4.09Å; M101-Y492 HydrophobicContact SD-CE2 4.11Å; M101-Y492 HydrophobicContact SD-CG 4.41Å; T102-Y492 PolarHBondContact N-OH 3.1Å; T102-Y492 PolarHBondContact O-OH 2.68Å; F409-Y492 CarbonylContact C-O 3.59Å; F409-Y492 WeakPolarHBondContact CA-O 3.45Å; F409-Y492 HydrophobicContact CZ-CD2 4.18Å; F409-Y492 HydrophobicContact CZ-CG 4.17Å; T410-Y492 PolarHBondContact N-O 2.85Å; P412-Y492 HydrophobicContact CG-CD1 4.13Å; P412-Y492 HydrophobicContact CG-CE1 3.78Å; Y414-Y492 WeakPolarHBondContact OH-CE1 3.4Å; Y414-Y492 PolarHBondContact OH-OH 3.12Å; S490-Y492 PolarHBondContact O-N 3.33Å; S490-Y492 WeakPolarHBondContact OG-CB 3.44Å; S490-Y492 PolarHBondContact OG-N 3.1Å
493	A	98.3	Very high	86.7	Confident	10 Å²	10	68.9 Å²	68.9	8%	0.083	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.6	-176.8	0	0	0	0	0	111.7	L374 K407 L408 F409 D487 W488 S490	L374-A493 HydrophobicContact CD1-CB 3.82Å; K407-A493 HydrophobicContact CB-CB 4.38Å; K407-A493 HydrophobicContact CD-CB 3.81Å; L408-A493 WeakPolarHBondContact O-CA 3.49Å; F409-A493 HydrophobicContact CD2-CB 4.11Å; D487-A493 VanDerWaalsContact O-CB 3.31Å; D487-A493 WeakPolarHBondContact O-CB 3.06Å; W488-A493 WeakPolarHBondContact O-CB 3.36Å; S490-A493 PolarHBondContact O-N 2.9Å
494	S	97.5	Very high	86.1	Confident	58 Å²	58	72.7 Å²	72.7	41%	0.406	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.1	-178.6	58.6	0	0	0	0	111.6	K407 L408	K407-S494 CarbonylContact C-O 3.56Å; K407-S494 VanDerWaalsContact CA-O 3.23Å; K407-S494 WeakPolarHBondContact CA-O 3.26Å; K407-S494 WeakPolarHBondContact CB-O 3.4Å; L408-S494 PolarHBondContact N-O 3.49Å; L408-S494 PolarHBondContact O-N 3.27Å
495	Y	95	Very high	85.4	Confident	133 Å²	133	76.9 Å²	76.9	52%	0.522	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	149.3	172.3	-71.1	-75.2	0	0	0	110.6	Q405 I406 K407 W488	Q405-Y495 HydrophobicContact CB-CE1 4.49Å; I406-Y495 WeakPolarHBondContact O-CD1 3.34Å; K407-Y495 HydrophobicContact CG-CD1 3.9Å; K407-Y495 HydrophobicContact CG-CE1 3.98Å; K407-Y495 HydrophobicContact CG-CG 4.25Å; W488-Y495 HydrophobicContact CZ2-CE1 4.46Å
496	M	89.9	Confident	84.6	Confident	21 Å²	21	78.4 Å²	78.4	10%	0.103	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-62.8	140	173.5	-65.9	-177.4	-58.7	0	0	110.4	L389 I406 L408 T498	L389-M496 HydrophobicContact CB-CE 3.74Å; L389-M496 HydrophobicContact CB-SD 3.39Å; L389-M496 WeakPolarHBondContact CB-SD 3.46Å; L389-M496 HydrophobicContact CD1-SD 3.82Å; L389-M496 HydrophobicContact CG-SD 4.24Å; I406-M496 HydrophobicContact CB-CE 3.78Å; I406-M496 HydrophobicContact CD1-CE 4.13Å; I406-M496 HydrophobicContact CG1-CE 4.49Å; I406-M496 HydrophobicContact CG2-CE 3.71Å; I406-M496 HydrophobicContact CG2-SD 4Å; L408-M496 HydrophobicContact CD1-CG 3.89Å; L408-M496 HydrophobicContact CD2-CG 3.99Å; L408-M496 HydrophobicContact CD2-SD 4.29Å; L408-M496 HydrophobicContact CG-CG 3.66Å; M496-T498 PolarHBondContact O-N 3.46Å
497	N	79.5	Confident	83.8	Confident	131 Å²	131	82.6 Å²	82.6	70%	0.701	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-65.4	135.1	172.5	-123.3	-6.7	0	0	0	109	H390 N499	H390-N497 PolarHBondContact CE1-O 3.23Å; N497-N499 PolarHBondContact O-N 2.99Å
498	T	63	Low	82.8	Confident	123 Å²	123	88.5 Å²	88.5	76%	0.755	47%	0.467	S	S	*	.	S	Bend	trans	-69.7	-14.5	-177.1	47.7	0	0	0	0	113.7	M496	M496-T498 PolarHBondContact O-N 3.46Å
499	N	54.8	Low	81.6	Confident	107 Å²	107	94.9 Å²	94.9	57%	0.572	50%	0.501	S	S	*	.	S	Bend	trans	-92	118.4	-180	-66.5	-23.7	0	0	0	110.5	N497 Q501	N497-N499 PolarHBondContact O-N 2.99Å; N499-Q501 VanDerWaalsContact C-N 3.35Å; N499-Q501 PolarHBondContact O-N 3.47Å
500	F	55.1	Low	80.3	Confident	145 Å²	145	93.7 Å²	93.7	64%	0.636	49%	0.494	S	S	*	.			trans	-63.8	95.3	160.4	-83.7	-96	0	0	0	108	H390	H390-F500 HydrophobicContact CB-CE1 4.5Å; H390-F500 HydrophobicContact CB-CE2 3.61Å; H390-F500 HydrophobicContact CB-CZ 3.47Å; H390-F500 VanDerWaalsContact CB-CZ 3.47Å; H390-F500 AromaticContact CD2-CE1 3.67Å; H390-F500 AromaticContact CD2-CE2 3.56Å; H390-F500 AromaticContact CD2-CZ 3.38Å; H390-F500 WeakPolarHBondContact CD2-CZ 3.33Å; H390-F500 AromaticContact CG-CE2 3.58Å; H390-F500 AromaticContact CG-CZ 3.63Å
501	Q	39.4	Very low	78.8	Confident	252 Å²	252	100.5 Å²	100.5	100%	1.178	53%	0.526	S	S	*	.			trans	-122.6	0	166.6	-78.6	-168	-20.5	0	0	110.2	N499	N499-Q501 VanDerWaalsContact C-N 3.35Å; N499-Q501 PolarHBondContact O-N 3.47Å

Retrieved 501 of 501 residues in 509.8 ms (Link to these results)

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