G4VRQ7_SCHMA Loading...

Kelch-like ech-associated protein

AlphaFold DB , UniProt , Accession G4VRQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 616 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	31.6	Very low	28.1	Very low	226 Å²	226	163.1 Å²	163.1	100%	1.113	82%	0.824	S	S	*	*				0	82.4	0	-163.1	174.1	-177.8	0	0	107
2	I	33.3	Very low	27.7	Very low	162 Å²	162	160.1 Å²	160.1	83%	0.831	81%	0.808	S	S	*	*			trans	-125.4	98.2	179.1	-62.2	175.2	0	0	0	104	K4	I2-K4 PolarHBondContact O-N 3.16Å
3	M	27.8	Very low	27.5	Very low	163 Å²	163	160.9 Å²	160.9	80%	0.803	82%	0.816	S	S	*	*			trans	-69.9	108.3	176.5	-74.8	-176	176.1	0	0	107.6	E5	M3-E5 PolarHBondContact O-N 2.74Å
4	K	27.5	Very low	27.1	Very low	185 Å²	185	161.9 Å²	161.9	80%	0.804	82%	0.816	S	S	*	*			trans	-75.2	104.5	161.6	-75	-178.2	174.3	-176.5	0	106.3	I2 N6	I2-K4 PolarHBondContact O-N 3.16Å; K4-N6 PolarHBondContact O-N 3.12Å
5	E	29.9	Very low	26.9	Very low	185 Å²	185	162.9 Å²	162.9	86%	0.864	82%	0.823	S	S	*	*			trans	-69.2	114.4	166.1	-77.1	178.8	161.6	0	0	107.9	M3	M3-E5 PolarHBondContact O-N 2.74Å
6	N	26.7	Very low	26.6	Very low	143 Å²	143	159.3 Å²	159.3	77%	0.765	82%	0.817	S	S	*	*			trans	-71.4	127.4	174.2	-72	-31	0	0	0	108.6	K4 E8	K4-N6 PolarHBondContact O-N 3.12Å; N6-E8 PolarHBondContact O-N 2.9Å
7	V	29.9	Very low	26.5	Very low	130 Å²	130	157.1 Å²	157.1	79%	0.788	81%	0.813	S	S	*	*			trans	-78.5	112.1	165.4	177.5	0	0	0	0	106	D9	V7-D9 PolarHBondContact O-N 3.49Å
8	E	26.4	Very low	26.4	Very low	151 Å²	151	153.7 Å²	153.7	71%	0.706	81%	0.805	S	S	*	*			trans	-75.6	112.7	179.4	-69.2	-179.5	160.4	0	0	110.2	N6 F10	N6-E8 PolarHBondContact O-N 2.9Å; E8-F10 HydrophobicContact CB-CE2 4.11Å
9	D	24.2	Very low	26.1	Very low	161 Å²	161	151.2 Å²	151.2	86%	0.861	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-77.5	123.5	167	-73.5	-38.6	0	0	0	109.4	V7	V7-D9 PolarHBondContact O-N 3.49Å
10	F	28.7	Very low	26.1	Very low	161 Å²	161	150.6 Å²	150.6	71%	0.706	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-97.3	144.2	178.5	-75.5	-87.9	0	0	0	111.4	E8	E8-F10 HydrophobicContact CB-CE2 4.11Å
11	P	23.3	Very low	25.9	Very low	127 Å²	127	150.4 Å²	150.4	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-82.1	142.8	-170.5	8.5	8	0	0	0	113.3
12	M	23.1	Very low	25.7	Very low	127 Å²	127	151.1 Å²	151.1	63%	0.626	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80.3	136.7	174.2	-71.1	-142.5	-57	0	0	112.1	E386	M12-E386 WeakPolarHBondContact CE-OE1 3.29Å
13	D	25	Very low	25.2	Very low	171 Å²	171	150.7 Å²	150.7	91%	0.914	79%	0.793	S	S	*	*			trans	-109.5	124.6	157.3	-87.2	-34	0	0	0	109.4
14	E	21.6	Very low	25.2	Very low	175 Å²	175	150.5 Å²	150.5	82%	0.818	79%	0.794	S	S	*	*			trans	-70.8	130.6	-179.8	-65.6	178.4	148.9	0	0	111.5
15	L	24.8	Very low	24.9	Very low	176 Å²	176	147.1 Å²	147.1	92%	0.921	79%	0.794	S	S	*	*			trans	-132.3	121.3	153.2	-81.7	172.5	0	0	0	110.8
16	S	22.4	Very low	24.8	Very low	105 Å²	105	143.1 Å²	143.1	73%	0.734	79%	0.786	S	S	*	*			trans	-89.2	174.7	-179.1	47.7	0	0	0	0	111.4
17	V	24.2	Very low	24.7	Very low	122 Å²	122	141.8 Å²	141.8	74%	0.739	79%	0.788	S	S	*	*			trans	119.6	90.6	149.3	-170.8	0	0	0	0	115.3
18	S	24.2	Very low	24.6	Very low	97 Å²	97	145 Å²	145	68%	0.678	79%	0.791	S	S	*	*				51.8	118.9	125.9	78.8	0	0	0	0	122
19	S	22.3	Very low	24.7	Very low	105 Å²	105	143.1 Å²	143.1	73%	0.734	79%	0.792	S	S	*	*			trans	-41.2	144	146.1	47.5	0	0	0	0	116.3
20	T	26.2	Very low	24.7	Very low	139 Å²	139	143.1 Å²	143.1	85%	0.853	79%	0.793	S	S	*	*			trans	-140.4	105.2	145.8	45.4	0	0	0	0	109.9
21	N	21.7	Very low	24.6	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	80%	0.804	S	S	*	*			trans	-69.6	140.8	158.3	-79.7	-24.2	0	0	0	109.6
22	R	26.7	Very low	24.6	Very low	240 Å²	240	142.1 Å²	142.1	91%	0.906	80%	0.798	S	S	*	*			trans	-143.4	100.8	152.4	-79.2	-164.9	176.9	171.6	-0.2	109.9
23	D	23.1	Very low	24.9	Very low	154 Å²	154	143.6 Å²	143.6	82%	0.824	81%	0.809	S	S	*	*			trans	-74.1	137.8	155.7	-73	-49.7	0	0	0	109.6
24	I	26.7	Very low	24.9	Very low	159 Å²	159	140.4 Å²	140.4	82%	0.815	80%	0.8	S	S	*	*			trans	-134.2	107.6	158.9	-62.2	179.9	0	0	0	107.4
25	S	22.9	Very low	25.2	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	80%	0.802	S	S	*	*			trans	-98.4	138.4	159.4	55.6	0	0	0	0	108.6
26	S	26.9	Very low	25.4	Very low	100 Å²	100	140.8 Å²	140.8	70%	0.699	80%	0.802	S	S	*	*			trans	-157.7	130.9	151.2	58.9	0	0	0	0	111.7
27	S	23.9	Very low	25.6	Very low	115 Å²	115	145.5 Å²	145.5	80%	0.804	81%	0.805	S	S	*	*			trans	-75.8	152.7	176.4	48.7	0	0	0	0	113
28	F	28.1	Very low	26	Very low	197 Å²	197	146.1 Å²	146.1	86%	0.864	80%	0.802	S	S	*	*			trans	-122.8	152.2	162.8	-90.3	-86.3	0	0	0	111.8
29	P	29.5	Very low	26.4	Very low	112 Å²	112	143.8 Å²	143.8	73%	0.727	79%	0.785	S	S	*	*			trans	-106.1	170.8	-151.4	40.1	-33.2	0	0	0	115.7
30	D	24.4	Very low	26.9	Very low	162 Å²	162	145.8 Å²	145.8	87%	0.866	78%	0.783	S	S	*	*			trans	-52	142	175.4	-69.8	-51.2	0	0	0	115.4
31	L	25	Very low	27.6	Very low	182 Å²	182	144.1 Å²	144.1	95%	0.953	77%	0.774	S	S	*	*			trans	-120.3	106	169.2	-136.4	91.1	0	0	0	109.8
32	A	25.1	Very low	28.4	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	76%	0.755	S	S	*	*			trans	-127.8	107.4	164.5	0	0	0	0	0	108.2
33	N	28	Very low	29.1	Very low	157 Å²	157	138.6 Å²	138.6	84%	0.84	75%	0.751	S	S	*	*				176.2	140	124.9	-94.5	-21.9	0	0	0	111.4
34	S	24.7	Very low	29.9	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	75%	0.747	S	S	*	*			trans	-56.8	135	167.6	52	0	0	0	0	112.4
35	E	28.4	Very low	30.5	Very low	184 Å²	184	137.7 Å²	137.7	86%	0.86	75%	0.745	S	S	*	*			trans	-160.6	146.8	135.3	-110.4	173.4	-156.8	0	0	109.6	Y37	E35-Y37 PolarHBondContact O-N 3.14Å
36	L	28.1	Very low	31.1	Very low	175 Å²	175	137.5 Å²	137.5	92%	0.916	74%	0.741	S	S	*	*			trans	-60.1	99.9	-171.3	-72.8	105.4	0	0	0	111.5	I38	L36-I38 PolarHBondContact O-N 3.24Å
37	Y	27.9	Very low	31.8	Very low	204 Å²	204	138.3 Å²	138.3	80%	0.8	74%	0.742	S	S	*	*			trans	-88.2	108.5	172.6	-153.2	-97.9	0	0	0	109.8	E35 P39	E35-Y37 PolarHBondContact O-N 3.14Å; Y37-P39 WeakPolarHBondContact O-CD 3.38Å
38	I	31.6	Very low	32.3	Very low	134 Å²	134	138.5 Å²	138.5	69%	0.687	74%	0.742	S	S	*	*			trans	-73.2	116.3	168.2	-60.4	171	0	0	0	106.4	L36 H40	L36-I38 PolarHBondContact O-N 3.24Å; I38-H40 PolarHBondContact O-N 2.96Å; I38-H40 VanDerWaalsContact O-N 3.13Å
39	P	33.8	Very low	32.7	Very low	48 Å²	48	134.5 Å²	134.5	31%	0.312	74%	0.739	S	S	.	*			trans	-75.9	110.1	-172.1	20.6	-16.5	0	0	0	110.2	Y37 H66	Y37-P39 WeakPolarHBondContact O-CD 3.38Å; P39-H66 VanDerWaalsContact CB-CD2 3.48Å; P39-H66 WeakPolarHBondContact CB-CD2 3.41Å; P39-H66 WeakPolarHBondContact CG-CD2 3.23Å
40	H	32.3	Very low	33.3	Very low	148 Å²	148	134.9 Å²	134.9	69%	0.685	74%	0.744	S	S	*	*			trans	-70.8	151.7	160.8	-78.3	-55.2	0	0	0	110.5	I38 T42	I38-H40 PolarHBondContact O-N 2.96Å; I38-H40 VanDerWaalsContact O-N 3.13Å; H40-T42 PolarHBondContact O-N 2.98Å
41	P	40.3	Very low	34	Very low	103 Å²	103	135.3 Å²	135.3	67%	0.669	75%	0.746	S	S	*	*			trans	-63.5	122.4	-164.1	-15.6	28.6	0	0	0	111.2
42	T	39.8	Very low	34.9	Very low	64 Å²	64	135.7 Å²	135.7	39%	0.393	74%	0.743	S	S	.	*			trans	-91.8	109.3	-179.4	-9.2	0	0	0	0	108.9	H40 N65	H40-T42 PolarHBondContact O-N 2.98Å; T42-N65 WeakPolarHBondContact CB-ND2 3.25Å; T42-N65 PolarHBondContact OG1-ND2 2.74Å
43	Y	40.1	Very low	35.8	Very low	208 Å²	208	136.8 Å²	136.8	82%	0.816	75%	0.746	S	S	*	*			trans	66.7	112	165.4	-62.9	-78.5	0	0	0	119.1
44	I	40.6	Very low	36.7	Very low	146 Å²	146	136.8 Å²	136.8	75%	0.749	75%	0.746	S	S	*	*			trans	-87.4	109.1	165.7	-60.5	167.9	0	0	0	107.1
45	L	39.2	Very low	38	Very low	148 Å²	148	138 Å²	138	78%	0.775	74%	0.744	S	S	*	*			trans	-102.9	116.4	168.6	-80.5	168.9	0	0	0	109.6	T47	L45-T47 PolarHBondContact O-N 3.24Å
46	P	35.8	Very low	39.1	Very low	110 Å²	110	137.7 Å²	137.7	71%	0.714	75%	0.748	S	S	*	*			trans	-85.4	111.6	173.9	30.8	-27.3	0	0	0	109.4
47	T	42	Very low	40.6	Very low	117 Å²	117	135.8 Å²	135.8	72%	0.718	74%	0.738	S	S	*	*			trans	-147.8	120.5	148.5	41	0	0	0	0	111.5	L45	L45-T47 PolarHBondContact O-N 3.24Å
48	C	33.6	Very low	42.8	Very low	120 Å²	120	134.2 Å²	134.2	81%	0.811	74%	0.742	S	S	*	*			trans	-84.5	127	155.9	-75.6	0	0	0	0	108
49	S	36.8	Very low	44.7	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	74%	0.739	S	S	*	*			trans	-158	82.4	153.9	62.8	0	0	0	0	110.5
50	S	41.9	Very low	47.2	Very low	119 Å²	119	136.8 Å²	136.8	83%	0.832	76%	0.758	S	S	*	*	S	Bend	trans	-151	132.2	140.6	52.6	0	0	0	0	108.6	E52	S50-E52 PolarHBondContact O-N 3.13Å; S50-E52 VanDerWaalsContact O-N 3.12Å
51	N	38.7	Very low	49.8	Very low	171 Å²	171	135.6 Å²	135.6	91%	0.914	76%	0.757	S	S	*	*			trans	-66.8	99.2	-168.4	-70.4	-36	0	0	0	111.6
52	E	44.1	Very low	52.2	Low	190 Å²	190	137.1 Å²	137.1	89%	0.888	75%	0.753	S	S	*	*			trans	-133.6	132.8	149	-73.9	-164.4	165.3	0	0	110.1	S50	S50-E52 PolarHBondContact O-N 3.13Å; S50-E52 VanDerWaalsContact O-N 3.12Å
53	S	45.4	Very low	54.7	Low	108 Å²	108	141 Å²	141	76%	0.755	77%	0.767	S	S	*	*			trans	-62.4	136.1	-169	45.3	0	0	0	0	114.1
54	N	46.5	Very low	57	Low	157 Å²	157	134.2 Å²	134.2	84%	0.84	74%	0.744	S	S	*	*	S	Bend	trans	57.6	56.8	144.8	-72.1	-10.5	0	0	0	118.5
55	D	50.6	Low	59.5	Low	132 Å²	132	131.1 Å²	131.1	71%	0.706	73%	0.729	S	S	*	*			trans	-136.2	130.3	139.8	-91.4	-36.6	0	0	0	108.3	L57	D55-L57 HydrophobicContact CB-CB 4.45Å; D55-L57 HydrophobicContact CB-CD1 3.46Å; D55-L57 VanDerWaalsContact CB-CD1 3.46Å; D55-L57 HydrophobicContact CB-CG 3.9Å; D55-L57 PolarHBondContact O-N 3.36Å
56	N	52.9	Low	62	Low	176 Å²	176	127.8 Å²	127.8	94%	0.941	71%	0.709	S	S	*	*			trans	-69.2	47.5	170.3	-77.2	-34.1	0	0	0	110.4	I58	N56-I58 PolarHBondContact O-N 3.03Å; N56-I58 VanDerWaalsContact O-N 3.16Å
57	L	59.6	Low	64.8	Low	135 Å²	135	129.4 Å²	129.4	71%	0.707	70%	0.702	S	S	*	*			trans	-70.9	107.3	176.3	-87.9	150.7	0	0	0	107.5	D55 C59	D55-L57 HydrophobicContact CB-CB 4.45Å; D55-L57 HydrophobicContact CB-CD1 3.46Å; D55-L57 VanDerWaalsContact CB-CD1 3.46Å; D55-L57 HydrophobicContact CB-CG 3.9Å; D55-L57 PolarHBondContact O-N 3.36Å; L57-C59 PolarHBondContact O-N 3.06Å
58	I	72.5	Confident	67.2	Low	171 Å²	171	130.2 Å²	130.2	88%	0.877	70%	0.701	S	S	*	*			trans	-59	101.5	167.4	-60.5	171	0	0	0	106.8	N56	N56-I58 PolarHBondContact O-N 3.03Å; N56-I58 VanDerWaalsContact O-N 3.16Å
59	C	71.5	Confident	70	Confident	94 Å²	94	130.2 Å²	130.2	64%	0.635	69%	0.688	S	S	*	*			trans	-96.1	130.8	176.8	-171.5	0	0	0	0	109.3	L57	L57-C59 PolarHBondContact O-N 3.06Å
60	M	87.9	Confident	72.8	Confident	143 Å²	143	129.6 Å²	129.6	70%	0.704	67%	0.672	S	S	*	*			trans	-118.3	119.7	176.3	177.3	-177.7	176.2	0	0	108.8	F62	M60-F62 HydrophobicContact CE-CB 4.39Å; M60-F62 HydrophobicContact CE-CD2 4.36Å
61	N	86.3	Confident	75.3	Confident	123 Å²	123	125.4 Å²	125.4	66%	0.658	65%	0.645	S	S	*	*			trans	-89.7	115.1	167.6	-68.6	-32.6	0	0	0	108.4
62	F	91	Very high	78	Confident	135 Å²	135	120 Å²	120	59%	0.592	62%	0.615	S	S	*	*			trans	-103.9	124.2	174.8	173.8	-99.7	0	0	0	109.3	M60 L64	M60-F62 HydrophobicContact CE-CB 4.39Å; M60-F62 HydrophobicContact CE-CD2 4.36Å; F62-L64 HydrophobicContact CE1-CB 3.93Å; F62-L64 HydrophobicContact CZ-CB 4.18Å; F62-L64 HydrophobicContact CZ-CD1 4.44Å
63	E	91	Very high	80.5	Confident	145 Å²	145	114.5 Å²	114.5	68%	0.678	59%	0.592	S	S	*	*			trans	-119.1	128.6	175.4	-173.3	172.3	-178	0	0	109.7
64	L	90	Very high	83	Confident	66 Å²	66	112.9 Å²	112.9	35%	0.346	58%	0.577	S	S	.	*			trans	-107.4	99.6	175.7	-178.2	65.6	0	0	0	109.1	F62 H66 Y67	F62-L64 HydrophobicContact CE1-CB 3.93Å; F62-L64 HydrophobicContact CZ-CB 4.18Å; F62-L64 HydrophobicContact CZ-CD1 4.44Å; L64-H66 PolarHBondContact O-N 3.16Å; L64-Y67 HydrophobicContact CD2-CD2 4.46Å; L64-Y67 VanDerWaalsContact O-CB 3.25Å; L64-Y67 WeakPolarHBondContact O-CB 3.35Å; L64-Y67 PolarHBondContact O-N 2.97Å
65	N	91.4	Very high	85.4	Confident	81 Å²	81	108.1 Å²	108.1	43%	0.433	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.2	-22.9	-171.9	-69.8	-34.8	0	0	0	115.6	T42	T42-N65 WeakPolarHBondContact CB-ND2 3.25Å; T42-N65 PolarHBondContact OG1-ND2 2.74Å
66	H	91.5	Very high	87.7	Confident	77 Å²	77	104.3 Å²	104.3	36%	0.356	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.4	-179.6	-55.6	-61.6	0	0	0	113.9	P39 L64 L68 K69 E70	P39-H66 VanDerWaalsContact CB-CD2 3.48Å; P39-H66 WeakPolarHBondContact CB-CD2 3.41Å; P39-H66 WeakPolarHBondContact CG-CD2 3.23Å; L64-H66 PolarHBondContact O-N 3.16Å; H66-L68 VanDerWaalsContact C-N 3.32Å; H66-L68 PolarHBondContact O-N 3.24Å; H66-K69 WeakPolarHBondContact O-CA 3.43Å; H66-K69 WeakPolarHBondContact O-CB 3.34Å; H66-K69 PolarHBondContact O-N 3.06Å; H66-E70 PolarHBondContact O-N 2.93Å
67	Y	94.8	Very high	89.8	Confident	145 Å²	145	101.7 Å²	101.7	57%	0.569	51%	0.509	S	S	*	.	H	α-helix	trans	-52.9	-47.3	-174.9	176	-105.4	0	0	0	112.7	L64 K69 E70 A71	L64-Y67 HydrophobicContact CD2-CD2 4.46Å; L64-Y67 VanDerWaalsContact O-CB 3.25Å; L64-Y67 WeakPolarHBondContact O-CB 3.35Å; L64-Y67 PolarHBondContact O-N 2.97Å; Y67-K69 VanDerWaalsContact C-N 3.31Å; Y67-K69 PolarHBondContact O-N 3.22Å; Y67-E70 PolarHBondContact O-N 2.72Å; Y67-A71 WeakPolarHBondContact O-CB 3.36Å; Y67-A71 PolarHBondContact O-N 3.41Å
68	L	92.9	Very high	91.7	Very high	133 Å²	133	97.4 Å²	97.4	70%	0.696	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-38.7	178.9	-63.3	178.9	0	0	0	112	H66 M72	H66-L68 VanDerWaalsContact C-N 3.32Å; H66-L68 PolarHBondContact O-N 3.24Å; L68-M72 WeakPolarHBondContact O-CB 3.36Å; L68-M72 WeakPolarHBondContact O-CG 3.28Å; L68-M72 PolarHBondContact O-N 2.95Å
69	K	93	Very high	92.9	Very high	121 Å²	121	90.4 Å²	90.4	53%	0.526	45%	0.45	S	S	.	.	H	α-helix	trans	-68.2	-42.6	177.5	-174.6	-178.9	176.8	-171.9	0	111.2	H66 Y67 M72 N73	H66-K69 WeakPolarHBondContact O-CA 3.43Å; H66-K69 WeakPolarHBondContact O-CB 3.34Å; H66-K69 PolarHBondContact O-N 3.06Å; Y67-K69 VanDerWaalsContact C-N 3.31Å; Y67-K69 PolarHBondContact O-N 3.22Å; K69-M72 PolarHBondContact O-N 2.83Å; K69-N73 WeakPolarHBondContact O-CB 3.26Å; K69-N73 PolarHBondContact O-N 3.45Å; K69-N73 PolarHBondContact O-ND2 3.14Å; K69-N73 PolarHBondContact O-OD1 2.9Å
70	E	94.9	Very high	94.1	Very high	100 Å²	100	91.6 Å²	91.6	47%	0.467	45%	0.446	S	S	.	.	H	α-helix	trans	-62.8	-46.7	175.8	-71.1	177.1	175	0	0	111.4	H66 Y67 M72 N73 T74	H66-E70 PolarHBondContact O-N 2.93Å; Y67-E70 PolarHBondContact O-N 2.72Å; E70-M72 PolarHBondContact O-N 3.38Å; E70-N73 WeakPolarHBondContact O-CB 3.44Å; E70-N73 PolarHBondContact O-N 3.28Å; E70-T74 PolarHBondContact O-N 3.23Å; E70-T74 PolarHBondContact O-OG1 3.06Å
71	A	95.2	Very high	94.5	Very high	31 Å²	31	87.6 Å²	87.6	26%	0.256	43%	0.432	S	S	.	.	H	α-helix	trans	-60.6	-43.4	176.7	0	0	0	0	0	112.3	Y67 T74 M75	Y67-A71 WeakPolarHBondContact O-CB 3.36Å; Y67-A71 PolarHBondContact O-N 3.41Å; A71-T74 PolarHBondContact O-N 3.43Å; A71-M75 HydrophobicContact CB-CE 4.47Å; A71-M75 WeakPolarHBondContact O-CE 3.47Å; A71-M75 PolarHBondContact O-N 3.23Å
72	M	96	Very high	95	Very high	57 Å²	57	87.3 Å²	87.3	28%	0.281	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-38.6	175	-71.4	-58.6	-58.3	0	0	112.4	L68 K69 E70 M75 Y76 V102 A143 Y144	L68-M72 WeakPolarHBondContact O-CB 3.36Å; L68-M72 WeakPolarHBondContact O-CG 3.28Å; L68-M72 PolarHBondContact O-N 2.95Å; K69-M72 PolarHBondContact O-N 2.83Å; E70-M72 PolarHBondContact O-N 3.38Å; M72-M75 HydrophobicContact CG-CE 4.31Å; M72-M75 PolarHBondContact O-N 2.97Å; M72-M75 HydrophobicContact SD-CE 3.37Å; M72-M75 WeakPolarHBondContact SD-CE 3.2Å; M72-Y76 WeakPolarHBondContact O-CB 3.48Å; M72-Y76 PolarHBondContact O-N 2.8Å; M72-V102 HydrophobicContact CE-CG1 4.23Å; M72-A143 VanDerWaalsContact CE-O 3.3Å; M72-A143 WeakPolarHBondContact CE-O 3.49Å; M72-Y144 VanDerWaalsContact CE-O 3.23Å; M72-Y144 WeakPolarHBondContact CE-O 3.42Å
73	N	96.4	Very high	95.3	Very high	75 Å²	75	87 Å²	87	40%	0.401	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-44.5	174.2	-70.2	-21	0	0	0	111.4	K69 E70 M75 Y76 E77	K69-N73 WeakPolarHBondContact O-CB 3.26Å; K69-N73 PolarHBondContact O-N 3.45Å; K69-N73 PolarHBondContact O-ND2 3.14Å; K69-N73 PolarHBondContact O-OD1 2.9Å; E70-N73 WeakPolarHBondContact O-CB 3.44Å; E70-N73 PolarHBondContact O-N 3.28Å; N73-M75 PolarHBondContact O-N 3.08Å; N73-Y76 WeakPolarHBondContact O-CB 3.37Å; N73-Y76 PolarHBondContact O-N 3.07Å; N73-Y76 VanDerWaalsContact O-N 3.15Å; N73-E77 WeakPolarHBondContact O-CG 3.49Å; N73-E77 PolarHBondContact O-N 2.71Å
74	T	97.3	Very high	95.6	Very high	74 Å²	74	86.7 Å²	86.7	45%	0.454	43%	0.427	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175.2	-57.4	0	0	0	0	111.6	E70 A71 Y76 E77 L78	E70-T74 PolarHBondContact O-N 3.23Å; E70-T74 PolarHBondContact O-OG1 3.06Å; A71-T74 PolarHBondContact O-N 3.43Å; T74-Y76 VanDerWaalsContact C-N 3.26Å; T74-Y76 PolarHBondContact O-N 3.1Å; T74-E77 PolarHBondContact O-N 3.23Å; T74-L78 HydrophobicContact CG2-CD1 4.25Å; T74-L78 VanDerWaalsContact O-CG 3.29Å; T74-L78 WeakPolarHBondContact O-CG 3.44Å; T74-L78 PolarHBondContact O-N 2.97Å
75	M	97.5	Very high	95.9	Very high	56 Å²	56	84.6 Å²	84.6	28%	0.276	42%	0.417	S	S	.	.	H	α-helix	trans	-62.2	-34.4	175.3	-74.4	-174.3	-83.2	0	0	112.4	A71 M72 N73 F79 V102 Y144	A71-M75 HydrophobicContact CB-CE 4.47Å; A71-M75 WeakPolarHBondContact O-CE 3.47Å; A71-M75 PolarHBondContact O-N 3.23Å; M72-M75 HydrophobicContact CG-CE 4.31Å; M72-M75 PolarHBondContact O-N 2.97Å; M72-M75 HydrophobicContact SD-CE 3.37Å; M72-M75 WeakPolarHBondContact SD-CE 3.2Å; N73-M75 PolarHBondContact O-N 3.08Å; M75-F79 WeakPolarHBondContact O-CB 3.45Å; M75-F79 PolarHBondContact O-N 3.21Å; M75-V102 HydrophobicContact CB-CG2 4.43Å; M75-V102 HydrophobicContact SD-CG2 3.68Å; M75-Y144 HydrophobicContact CB-CD1 4.2Å; M75-Y144 HydrophobicContact CB-CE1 4.23Å; M75-Y144 WeakPolarHBondContact O-CE1 3.47Å
76	Y	97.9	Very high	96.1	Very high	53 Å²	53	83.7 Å²	83.7	21%	0.208	41%	0.412	C	S	.	.	H	α-helix	trans	-69.3	-42.4	175.5	-170.5	-133.5	0	0	0	112.4	M72 N73 T74 L78 F79 Q80 Y144 T145	M72-Y76 WeakPolarHBondContact O-CB 3.48Å; M72-Y76 PolarHBondContact O-N 2.8Å; N73-Y76 WeakPolarHBondContact O-CB 3.37Å; N73-Y76 PolarHBondContact O-N 3.07Å; N73-Y76 VanDerWaalsContact O-N 3.15Å; T74-Y76 VanDerWaalsContact C-N 3.26Å; T74-Y76 PolarHBondContact O-N 3.1Å; Y76-L78 VanDerWaalsContact C-N 3.32Å; Y76-L78 PolarHBondContact O-N 3.2Å; Y76-F79 AromaticContact CD2-CD1 3.76Å; Y76-F79 HydrophobicContact CD2-CD1 3.76Å; Y76-F79 HydrophobicContact CD2-CE1 4.46Å; Y76-F79 AromaticContact CE2-CD1 3.79Å; Y76-F79 HydrophobicContact CE2-CD1 3.79Å; Y76-F79 HydrophobicContact CE2-CE1 4.07Å; Y76-F79 WeakPolarHBondContact O-CB 3.44Å; Y76-F79 PolarHBondContact O-N 2.86Å; Y76-Q80 HydrophobicContact CD2-CG 4.45Å; Y76-Q80 HydrophobicContact CE2-CG 4.2Å; Y76-Q80 VanDerWaalsContact CZ-NE2 3.35Å; Y76-Q80 WeakPolarHBondContact O-CG 3.38Å; Y76-Q80 PolarHBondContact O-N 3Å; Y76-Q80 PolarHBondContact OH-NE2 3.21Å; Y76-Y144 HydrophobicContact CD2-CD1 4.34Å; Y76-Y144 HydrophobicContact CD2-CD2 4.16Å; Y76-Y144 AromaticContact CD2-CG 3.73Å; Y76-Y144 HydrophobicContact CD2-CG 3.73Å; Y76-Y144 HydrophobicContact CG-CG 4.45Å; Y76-T145 HydrophobicContact CD1-CG2 3.97Å; Y76-T145 HydrophobicContact CD2-CG2 4.31Å; Y76-T145 HydrophobicContact CE1-CG2 3.8Å; Y76-T145 HydrophobicContact CE2-CG2 4.16Å; Y76-T145 HydrophobicContact CG-CG2 4.23Å
77	E	97.8	Very high	96.3	Very high	121 Å²	121	80 Å²	80	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-61.2	-40.5	173.6	-71.3	172	-174	0	0	112	N73 T74 Q80 S81	N73-E77 WeakPolarHBondContact O-CG 3.49Å; N73-E77 PolarHBondContact O-N 2.71Å; T74-E77 PolarHBondContact O-N 3.23Å; E77-Q80 PolarHBondContact O-N 2.99Å; E77-S81 WeakPolarHBondContact O-CB 3.44Å; E77-S81 PolarHBondContact O-N 2.86Å; E77-S81 PolarHBondContact O-OG 2.98Å
78	L	98.1	Very high	96.4	Very high	44 Å²	44	73.8 Å²	73.8	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-42.3	174.1	-70.6	170.1	0	0	0	111.4	T74 Y76 S81 Q82 K83 L84	T74-L78 HydrophobicContact CG2-CD1 4.25Å; T74-L78 VanDerWaalsContact O-CG 3.29Å; T74-L78 WeakPolarHBondContact O-CG 3.44Å; T74-L78 PolarHBondContact O-N 2.97Å; Y76-L78 VanDerWaalsContact C-N 3.32Å; Y76-L78 PolarHBondContact O-N 3.2Å; L78-S81 CarbonylContact O-C 3.46Å; L78-S81 PolarHBondContact O-N 3.35Å; L78-S81 PolarHBondContact O-OG 2.97Å; L78-Q82 PolarHBondContact O-N 3.47Å; L78-K83 HydrophobicContact CD2-CB 3.8Å; L78-K83 HydrophobicContact CD2-CD 4.42Å; L78-K83 PolarHBondContact O-N 2.88Å; L78-L84 HydrophobicContact CD1-CD1 4.08Å; L78-L84 HydrophobicContact CD2-CD1 4.44Å
79	F	97.6	Very high	96.6	Very high	25 Å²	25	67.5 Å²	67.5	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-48.3	174.3	163.9	-110.9	0	0	0	111.7	M75 Y76 S81 Q82 I96 Q97 C98 I140 Y144	M75-F79 WeakPolarHBondContact O-CB 3.45Å; M75-F79 PolarHBondContact O-N 3.21Å; Y76-F79 AromaticContact CD2-CD1 3.76Å; Y76-F79 HydrophobicContact CD2-CD1 3.76Å; Y76-F79 HydrophobicContact CD2-CE1 4.46Å; Y76-F79 AromaticContact CE2-CD1 3.79Å; Y76-F79 HydrophobicContact CE2-CD1 3.79Å; Y76-F79 HydrophobicContact CE2-CE1 4.07Å; Y76-F79 WeakPolarHBondContact O-CB 3.44Å; Y76-F79 PolarHBondContact O-N 2.86Å; F79-S81 VanDerWaalsContact C-N 3.27Å; F79-S81 PolarHBondContact O-N 3.32Å; F79-Q82 PolarHBondContact O-N 3.44Å; F79-I96 HydrophobicContact CE2-CG2 4Å; F79-I96 HydrophobicContact CZ-CG2 4.19Å; F79-Q97 VanDerWaalsContact CD2-O 3.23Å; F79-Q97 WeakPolarHBondContact CD2-O 3.49Å; F79-Q97 WeakPolarHBondContact CE2-O 3.38Å; F79-C98 HydrophobicContact CD2-CB 4.01Å; F79-C98 HydrophobicContact CE2-CB 3.92Å; F79-I140 HydrophobicContact CE1-CG2 4.15Å; F79-I140 HydrophobicContact CE2-CG2 3.81Å; F79-I140 HydrophobicContact CZ-CG2 3.53Å; F79-Y144 HydrophobicContact CB-CD1 4.34Å; F79-Y144 HydrophobicContact CB-CD2 4.48Å; F79-Y144 HydrophobicContact CB-CE1 3.77Å; F79-Y144 HydrophobicContact CB-CE2 3.97Å; F79-Y144 AromaticContact CD1-CD2 3.94Å; F79-Y144 HydrophobicContact CD1-CD2 3.94Å; F79-Y144 AromaticContact CD1-CE2 3.85Å; F79-Y144 HydrophobicContact CD1-CE2 3.85Å; F79-Y144 AromaticContact CD2-CE2 3.82Å; F79-Y144 HydrophobicContact CD2-CE2 3.82Å; F79-Y144 AromaticContact CD2-CZ 3.98Å; F79-Y144 HydrophobicContact CE1-CD2 4.34Å; F79-Y144 HydrophobicContact CE1-CE2 4.28Å; F79-Y144 HydrophobicContact CE2-CE2 4.25Å; F79-Y144 HydrophobicContact CG-CD2 4.12Å; F79-Y144 HydrophobicContact CG-CE1 4.33Å; F79-Y144 AromaticContact CG-CE2 3.59Å; F79-Y144 HydrophobicContact CG-CE2 3.59Å; F79-Y144 AromaticContact CG-CZ 3.72Å; F79-Y144 HydrophobicContact CZ-CE2 4.47Å
80	Q	97	Very high	96.7	Very high	119 Å²	119	62.5 Å²	62.5	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-61.7	-34.8	179	-72.2	-178.9	-32.5	0	0	112.8	Y76 E77 Q82	Y76-Q80 HydrophobicContact CD2-CG 4.45Å; Y76-Q80 HydrophobicContact CE2-CG 4.2Å; Y76-Q80 VanDerWaalsContact CZ-NE2 3.35Å; Y76-Q80 WeakPolarHBondContact O-CG 3.38Å; Y76-Q80 PolarHBondContact O-N 3Å; Y76-Q80 PolarHBondContact OH-NE2 3.21Å; E77-Q80 PolarHBondContact O-N 2.99Å; Q80-Q82 VanDerWaalsContact C-N 3.32Å
81	S	97.2	Very high	96.6	Very high	59 Å²	59	57.8 Å²	57.8	41%	0.413	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3.7	175.3	60.7	0	0	0	0	114.2	E77 L78 F79 K83	E77-S81 WeakPolarHBondContact O-CB 3.44Å; E77-S81 PolarHBondContact O-N 2.86Å; E77-S81 PolarHBondContact O-OG 2.98Å; L78-S81 CarbonylContact O-C 3.46Å; L78-S81 PolarHBondContact O-N 3.35Å; L78-S81 PolarHBondContact O-OG 2.97Å; F79-S81 VanDerWaalsContact C-N 3.27Å; F79-S81 PolarHBondContact O-N 3.32Å; S81-K83 PolarHBondContact O-N 3.15Å
82	Q	96.4	Very high	96.3	Very high	116 Å²	116	63.4 Å²	63.4	54%	0.542	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	27.7	-176.6	-57.7	178.9	2.8	0	0	113.8	L78 F79 Q80	L78-Q82 PolarHBondContact O-N 3.47Å; F79-Q82 PolarHBondContact O-N 3.44Å; Q80-Q82 VanDerWaalsContact C-N 3.32Å
83	K	97.3	Very high	96	Very high	130 Å²	130	66.3 Å²	66.3	57%	0.565	35%	0.349	S	S	*	.			trans	-92.4	140.1	179	-69.2	-177.8	-178.5	176.7	0	110.4	L78 S81 T85 H99	L78-K83 HydrophobicContact CD2-CB 3.8Å; L78-K83 HydrophobicContact CD2-CD 4.42Å; L78-K83 PolarHBondContact O-N 2.88Å; S81-K83 PolarHBondContact O-N 3.15Å; K83-T85 PolarHBondContact O-N 3.37Å; K83-T85 VanDerWaalsContact O-N 3.1Å; K83-H99 PolarHBondContact O-NE2 3.28Å; K83-H99 VanDerWaalsContact O-NE2 3.08Å
84	L	96.4	Very high	95.8	Very high	137 Å²	137	65.9 Å²	65.9	72%	0.717	35%	0.345	S	S	*	.	S	Bend	trans	60.8	10.3	179.8	-54.5	179.3	0	0	0	115.1	L78 H99	L78-L84 HydrophobicContact CD1-CD1 4.08Å; L78-L84 HydrophobicContact CD2-CD1 4.44Å; L84-H99 PolarHBondContact O-CD2 2.9Å
85	T	96.5	Very high	95.7	Very high	22 Å²	22	66.3 Å²	66.3	14%	0.135	35%	0.351	C	S	.	.			trans	-64.9	135.6	173.4	62.4	0	0	0	0	110.2	K83 Q97 C98	K83-T85 PolarHBondContact O-N 3.37Å; K83-T85 VanDerWaalsContact O-N 3.1Å; T85-Q97 HydrophobicContact CG2-CB 4.1Å; T85-Q97 PolarHBondContact OG1-OE1 3.46Å; T85-C98 WeakPolarHBondContact CA-O 3.17Å; T85-C98 WeakPolarHBondContact CB-O 3.2Å
86	D	95.9	Very high	95.7	Very high	63 Å²	63	64.4 Å²	64.4	34%	0.337	34%	0.342	S	S	.	.			trans	-125.6	3.2	-170.8	62.1	-7	0	0	0	112.5	C98 H99 R100 H124	D86-C98 PolarHBondContact N-O 3.47Å; D86-H99 VanDerWaalsContact OD1-CA 3.28Å; D86-H99 WeakPolarHBondContact OD1-CA 3.47Å; D86-R100 PolarHBondContact O-NE 2.97Å; D86-R100 WeakPolarHBondContact OD1-CG 3.4Å; D86-R100 PolarHBondContact OD1-N 2.91Å; D86-R100 WeakPolarHBondContact OD2-CB 3.48Å; D86-H124 VanDerWaalsContact C-CE1 3.43Å; D86-H124 PolarHBondContact O-CE1 3.34Å; D86-H124 PolarHBondContact O-ND1 3.29Å
87	V	96.1	Very high	95.6	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	143.1	171.3	64.9	0	0	0	0	111.5	L89 Q97 C98 R100 L103 F114 H124 I126	V87-L89 HydrophobicContact CG2-CD2 4.19Å; V87-Q97 WeakPolarHBondContact O-CA 3.47Å; V87-C98 PolarHBondContact N-O 2.98Å; V87-C98 PolarHBondContact O-N 3.35Å; V87-R100 HydrophobicContact CB-CG 3.75Å; V87-R100 HydrophobicContact CG1-CG 3.64Å; V87-L103 HydrophobicContact CG1-CD1 4.39Å; V87-F114 HydrophobicContact CG1-CZ 4.32Å; V87-F114 HydrophobicContact CG2-CE1 4.4Å; V87-F114 HydrophobicContact CG2-CZ 4.43Å; V87-H124 CarbonylContact C-O 3.51Å; V87-H124 WeakPolarHBondContact CA-O 3.44Å; V87-I126 HydrophobicContact CG2-CD1 3.79Å; V87-I126 HydrophobicContact CG2-CG1 4.16Å
88	T	96.8	Very high	95.6	Very high	14 Å²	14	59.3 Å²	59.3	9%	0.086	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.4	171.6	-57.1	0	0	0	0	109.4	I96 Q97 H124 E125 I126	T88-I96 WeakPolarHBondContact CA-O 3.39Å; T88-Q97 HydrophobicContact CG2-CG 4.3Å; T88-Q97 WeakPolarHBondContact OG1-CG 3.38Å; T88-H124 PolarHBondContact N-O 2.86Å; T88-E125 WeakPolarHBondContact O-CA 3.41Å; T88-I126 PolarHBondContact O-N 2.93Å
89	L	96.2	Very high	95.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121	174.2	-59.8	-178	0	0	0	109.6	V87 S95 I96 L103 F110 I126 L128 L136 I140	V87-L89 HydrophobicContact CG2-CD2 4.19Å; L89-S95 CarbonylContact O-C 3.51Å; L89-S95 WeakPolarHBondContact O-CA 3.48Å; L89-I96 PolarHBondContact N-O 2.99Å; L89-I96 PolarHBondContact O-N 2.94Å; L89-L103 HydrophobicContact CD1-CD1 3.81Å; L89-F110 HydrophobicContact CD1-CE1 4.06Å; L89-F110 HydrophobicContact CD1-CZ 3.76Å; L89-F110 HydrophobicContact CD2-CE1 4.09Å; L89-I126 HydrophobicContact CD2-CB 4.1Å; L89-I126 HydrophobicContact CD2-CG2 4.48Å; L89-L128 HydrophobicContact CB-CD1 4.27Å; L89-L128 HydrophobicContact CD1-CD1 4.04Å; L89-L128 HydrophobicContact CD2-CD1 4.15Å; L89-L128 HydrophobicContact CG-CD1 4.39Å; L89-L136 HydrophobicContact CB-CD2 4.29Å; L89-L136 HydrophobicContact CD1-CD1 4.48Å; L89-L136 HydrophobicContact CD1-CD2 4.37Å; L89-I140 HydrophobicContact CD1-CD1 3.98Å
90	C	95.6	Very high	95.5	Very high	16 Å²	16	58.7 Å²	58.7	11%	0.108	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.8	-178.3	-60.3	0	0	0	0	109.9	E94 I126 K127 L128	C90-E94 CarbonylContact C-O 3.58Å; C90-E94 WeakPolarHBondContact CA-O 3.45Å; C90-I126 PolarHBondContact N-O 3.4Å; C90-K127 HydrophobicContact CB-CG 4.1Å; C90-K127 CarbonylContact O-C 3.55Å; C90-K127 WeakPolarHBondContact O-CA 3.39Å; C90-L128 PolarHBondContact O-N 2.81Å
91	V	93.6	Very high	95.4	Very high	2 Å²	2	59 Å²	59	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.9	174.7	174.4	0	0	0	0	108.3	S93 E94 L128 I131 A133 L136	V91-S93 PolarHBondContact O-N 3.19Å; V91-S93 VanDerWaalsContact O-N 3.09Å; V91-E94 PolarHBondContact N-O 2.96Å; V91-E94 PolarHBondContact O-N 2.92Å; V91-L128 HydrophobicContact CG2-CB 3.83Å; V91-I131 WeakPolarHBondContact CG1-O 3.1Å; V91-A133 HydrophobicContact CB-CB 4.35Å; V91-A133 HydrophobicContact CG1-CB 4.03Å; V91-L136 HydrophobicContact CG2-CD2 3.41Å; V91-L136 VanDerWaalsContact CG2-CD2 3.41Å
92	N	88.4	Confident	95.5	Very high	149 Å²	149	56.8 Å²	56.8	80%	0.797	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	-115.2	-174.6	-58	-35.3	0	0	0	111.2
93	S	89.2	Confident	95.5	Very high	118 Å²	118	51.4 Å²	51.4	83%	0.825	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	1.5	177.6	55.6	0	0	0	0	114	V91	V91-S93 PolarHBondContact O-N 3.19Å; V91-S93 VanDerWaalsContact O-N 3.09Å
94	E	93.4	Very high	95.5	Very high	66 Å²	66	45.8 Å²	45.8	31%	0.308	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.4	-177.2	-62.7	-172.9	-134.7	0	0	110.8	C90 V91 A133 K137	C90-E94 CarbonylContact C-O 3.58Å; C90-E94 WeakPolarHBondContact CA-O 3.45Å; V91-E94 PolarHBondContact N-O 2.96Å; V91-E94 PolarHBondContact O-N 2.92Å; E94-A133 HydrophobicContact CB-CB 4.14Å; E94-A133 HydrophobicContact CG-CB 4.15Å; E94-A133 VanDerWaalsContact OE1-CB 3.28Å; E94-A133 WeakPolarHBondContact OE1-CB 3.5Å; E94-K137 WeakPolarHBondContact OE2-CE 3.37Å; E94-K137 IonicContact OE2-NZ 2.58Å; E94-K137 PolarHBondContact OE2-NZ 3.17Å
95	S	95	Very high	95.5	Very high	83 Å²	83	41.6 Å²	41.6	58%	0.58	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.4	179.1	-57.4	0	0	0	0	109.7	L89	L89-S95 CarbonylContact O-C 3.51Å; L89-S95 WeakPolarHBondContact O-CA 3.48Å
96	I	96.6	Very high	95.5	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.077	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	108.9	-174.8	-50.3	169.2	0	0	0	108.7	F79 T88 L89 L136 K137 I140	F79-I96 HydrophobicContact CE2-CG2 4Å; F79-I96 HydrophobicContact CZ-CG2 4.19Å; T88-I96 WeakPolarHBondContact CA-O 3.39Å; L89-I96 PolarHBondContact N-O 2.99Å; L89-I96 PolarHBondContact O-N 2.94Å; I96-L136 HydrophobicContact CD1-CD2 4.02Å; I96-L136 HydrophobicContact CD1-CG 4.16Å; I96-K137 HydrophobicContact CD1-CG 3.53Å; I96-K137 HydrophobicContact CG1-CG 4.35Å; I96-I140 HydrophobicContact CB-CD1 4.21Å; I96-I140 HydrophobicContact CD1-CD1 3.88Å; I96-I140 HydrophobicContact CG2-CD1 3.72Å
97	Q	97.4	Very high	95.6	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.318	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.5	173.8	-71.2	-178.8	54.7	0	0	110.1	F79 T85 V87 T88	F79-Q97 VanDerWaalsContact CD2-O 3.23Å; F79-Q97 WeakPolarHBondContact CD2-O 3.49Å; F79-Q97 WeakPolarHBondContact CE2-O 3.38Å; T85-Q97 HydrophobicContact CG2-CB 4.1Å; T85-Q97 PolarHBondContact OG1-OE1 3.46Å; V87-Q97 WeakPolarHBondContact O-CA 3.47Å; T88-Q97 HydrophobicContact CG2-CG 4.3Å; T88-Q97 WeakPolarHBondContact OG1-CG 3.38Å
98	C	97.2	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	179.7	-175.1	51.1	0	0	0	0	112.4	F79 T85 D86 V87 L103	F79-C98 HydrophobicContact CD2-CB 4.01Å; F79-C98 HydrophobicContact CE2-CB 3.92Å; T85-C98 WeakPolarHBondContact CA-O 3.17Å; T85-C98 WeakPolarHBondContact CB-O 3.2Å; D86-C98 PolarHBondContact N-O 3.47Å; V87-C98 PolarHBondContact N-O 2.98Å; V87-C98 PolarHBondContact O-N 3.35Å; C98-L103 HydrophobicContact CB-CD1 4.49Å; C98-L103 VanDerWaalsContact SG-CD1 3.57Å
99	H	97.4	Very high	95.6	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.06	27%	0.265	C	S	.	.			trans	-102.5	121.7	-177.2	-55	101.3	0	0	0	111.5	K83 L84 D86 I101 V102 L103 Y144	K83-H99 PolarHBondContact O-NE2 3.28Å; K83-H99 VanDerWaalsContact O-NE2 3.08Å; L84-H99 PolarHBondContact O-CD2 2.9Å; D86-H99 VanDerWaalsContact OD1-CA 3.28Å; D86-H99 WeakPolarHBondContact OD1-CA 3.47Å; H99-I101 VanDerWaalsContact C-N 3.26Å; H99-I101 HydrophobicContact CB-CG2 4.35Å; H99-I101 PolarHBondContact O-N 3.48Å; H99-V102 HydrophobicContact CB-CB 4.28Å; H99-V102 HydrophobicContact CB-CG2 4.01Å; H99-V102 PolarHBondContact O-N 3.4Å; H99-L103 PolarHBondContact O-N 3.26Å; H99-L103 VanDerWaalsContact O-N 3.16Å; H99-Y144 PolarHBondContact N-OH 3.3Å; H99-Y144 AromaticContact ND1-CE1 3.57Å; H99-Y144 AromaticContact ND1-CZ 3.57Å; H99-Y144 PolarHBondContact ND1-OH 3.25Å
100	R	95.8	Very high	95.6	Very high	42 Å²	42	45 Å²	45	16%	0.158	27%	0.265	C	S	.	.	H	α-helix	trans	-53.5	-43.6	176.9	-73	168.2	164	-109.8	-0.3	111.9	D86 V87 V102 L103 A104 F114 A121 L123	D86-R100 PolarHBondContact O-NE 2.97Å; D86-R100 WeakPolarHBondContact OD1-CG 3.4Å; D86-R100 PolarHBondContact OD1-N 2.91Å; D86-R100 WeakPolarHBondContact OD2-CB 3.48Å; V87-R100 HydrophobicContact CB-CG 3.75Å; V87-R100 HydrophobicContact CG1-CG 3.64Å; R100-V102 PolarHBondContact O-N 3.47Å; R100-L103 PolarHBondContact O-N 3.31Å; R100-A104 VanDerWaalsContact O-CB 3.26Å; R100-A104 WeakPolarHBondContact O-CB 3.4Å; R100-A104 PolarHBondContact O-N 3.39Å; R100-F114 HydrophobicContact CB-CD2 3.73Å; R100-F114 HydrophobicContact CB-CE2 3.96Å; R100-F114 HydrophobicContact CB-CG 4.24Å; R100-F114 HydrophobicContact CG-CD1 4.31Å; R100-F114 HydrophobicContact CG-CD2 3.94Å; R100-F114 HydrophobicContact CG-CE1 4.33Å; R100-F114 HydrophobicContact CG-CE2 3.95Å; R100-F114 HydrophobicContact CG-CG 4.14Å; R100-F114 HydrophobicContact CG-CZ 4.16Å; R100-A121 VanDerWaalsContact CZ-O 3.29Å; R100-A121 PolarHBondContact NH1-O 2.81Å; R100-A121 PolarHBondContact NH2-O 3.35Å; R100-L123 PolarHBondContact NH2-O 2.86Å
101	I	96.2	Very high	95.6	Very high	127 Å²	127	50.2 Å²	50.2	65%	0.651	28%	0.283	S	S	*	.	H	α-helix	trans	-63.4	-40.5	-177.1	-169.5	60.3	0	0	0	112.5	H99 G105	H99-I101 VanDerWaalsContact C-N 3.26Å; H99-I101 HydrophobicContact CB-CG2 4.35Å; H99-I101 PolarHBondContact O-N 3.48Å; I101-G105 PolarHBondContact O-N 2.9Å
102	V	97.9	Very high	95.7	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-45.2	178.7	177	0	0	0	0	110.3	M72 M75 H99 R100 G105 A106 A143 Y144	M72-V102 HydrophobicContact CE-CG1 4.23Å; M75-V102 HydrophobicContact CB-CG2 4.43Å; M75-V102 HydrophobicContact SD-CG2 3.68Å; H99-V102 HydrophobicContact CB-CB 4.28Å; H99-V102 HydrophobicContact CB-CG2 4.01Å; H99-V102 PolarHBondContact O-N 3.4Å; R100-V102 PolarHBondContact O-N 3.47Å; V102-G105 PolarHBondContact O-N 2.89Å; V102-A106 PolarHBondContact O-N 2.77Å; V102-A143 HydrophobicContact CG1-CB 4.21Å; V102-Y144 HydrophobicContact CB-CD1 4.46Å; V102-Y144 HydrophobicContact CB-CE1 3.92Å; V102-Y144 HydrophobicContact CG1-CD1 3.79Å; V102-Y144 HydrophobicContact CG1-CD2 4.33Å; V102-Y144 HydrophobicContact CG1-CE1 3.71Å; V102-Y144 HydrophobicContact CG1-CE2 4.23Å; V102-Y144 HydrophobicContact CG1-CG 4.09Å; V102-Y144 HydrophobicContact CG2-CD1 4.24Å; V102-Y144 HydrophobicContact CG2-CE1 3.68Å
103	L	97.7	Very high	95.9	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-44.1	177.1	-67.3	-174.1	0	0	0	112.5	V87 L89 C98 H99 R100 G105 A106 S107 F110 F114 I140 A143	V87-L103 HydrophobicContact CG1-CD1 4.39Å; L89-L103 HydrophobicContact CD1-CD1 3.81Å; C98-L103 HydrophobicContact CB-CD1 4.49Å; C98-L103 VanDerWaalsContact SG-CD1 3.57Å; H99-L103 PolarHBondContact O-N 3.26Å; H99-L103 VanDerWaalsContact O-N 3.16Å; R100-L103 PolarHBondContact O-N 3.31Å; L103-G105 VanDerWaalsContact C-N 3.25Å; L103-G105 PolarHBondContact O-N 2.9Å; L103-A106 PolarHBondContact O-N 3.38Å; L103-S107 WeakPolarHBondContact O-CB 3.43Å; L103-S107 PolarHBondContact O-N 3.3Å; L103-F110 HydrophobicContact CB-CB 3.96Å; L103-F110 HydrophobicContact CB-CD2 3.9Å; L103-F110 HydrophobicContact CB-CG 4.01Å; L103-F110 HydrophobicContact CD1-CD2 4.27Å; L103-F110 HydrophobicContact CD1-CE2 4.36Å; L103-F110 HydrophobicContact CD1-CG 4.38Å; L103-F110 HydrophobicContact CD2-CD2 4.35Å; L103-F110 HydrophobicContact CD2-CE2 4.4Å; L103-F110 HydrophobicContact CG-CD2 4.41Å; L103-F114 HydrophobicContact CB-CE2 3.94Å; L103-F114 HydrophobicContact CD1-CE2 4.22Å; L103-F114 HydrophobicContact CD1-CZ 4.29Å; L103-I140 HydrophobicContact CD2-CG1 4.19Å; L103-A143 HydrophobicContact CD2-CB 4.34Å
104	A	96.5	Very high	96.1	Very high	11 Å²	11	41.8 Å²	41.8	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-30	175	0	0	0	0	0	112.6	R100 R111 F114	R100-A104 VanDerWaalsContact O-CB 3.26Å; R100-A104 WeakPolarHBondContact O-CB 3.4Å; R100-A104 PolarHBondContact O-N 3.39Å; A104-R111 HydrophobicContact CB-CB 4.09Å; A104-R111 HydrophobicContact CB-CG 4.37Å; A104-R111 PolarHBondContact O-NE 3.39Å; A104-R111 PolarHBondContact O-NH2 2.94Å; A104-F114 HydrophobicContact CB-CD2 4.29Å
105	G	96.6	Very high	96.1	Very high	50 Å²	50	43.9 Å²	43.9	52%	0.515	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-46.5	171.3	0	0	0	0	0	112	I101 V102 L103 R111	I101-G105 PolarHBondContact O-N 2.9Å; V102-G105 PolarHBondContact O-N 2.89Å; L103-G105 VanDerWaalsContact C-N 3.25Å; L103-G105 PolarHBondContact O-N 2.9Å; G105-R111 PolarHBondContact O-NH2 2.86Å
106	A	97.3	Very high	95.7	Very high	34 Å²	34	41.3 Å²	41.3	28%	0.281	24%	0.239	S	C	.	.	H	α-helix	trans	-89.4	-19.3	-171.9	0	0	0	0	0	115.2	V102 L103 A143 M167	V102-A106 PolarHBondContact O-N 2.77Å; L103-A106 PolarHBondContact O-N 3.38Å; A106-A143 HydrophobicContact CB-CB 3.56Å; A106-M167 HydrophobicContact CB-CE 3.6Å
107	S	98	Very high	94.9	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	28%	0.282	C	S	.	.			trans	-137.5	118.9	-172.1	165.3	0	0	0	0	111.6	L103 Y109 F110 R111 I165	L103-S107 WeakPolarHBondContact O-CB 3.43Å; L103-S107 PolarHBondContact O-N 3.3Å; S107-Y109 PolarHBondContact O-N 2.89Å; S107-Y109 PolarHBondContact OG-N 3.32Å; S107-F110 PolarHBondContact O-N 3.05Å; S107-F110 WeakPolarHBondContact OG-CD2 3.47Å; S107-F110 PolarHBondContact OG-N 2.86Å; S107-R111 PolarHBondContact O-N 3.21Å; S107-I165 WeakPolarHBondContact CB-O 3.48Å; S107-I165 PolarHBondContact OG-O 2.93Å
108	P	97.4	Very high	94	Very high	62 Å²	62	52.3 Å²	52.3	40%	0.403	29%	0.291	S	S	.	.	H	α-helix	trans	-58.6	-32.9	171.8	-24.7	34.4	0	0	0	113.5	R111 A112 Q166	P108-R111 PolarHBondContact O-N 3.28Å; P108-A112 WeakPolarHBondContact O-CB 3.23Å; P108-A112 PolarHBondContact O-N 2.84Å; P108-Q166 HydrophobicContact CB-CB 4.28Å; P108-Q166 VanDerWaalsContact CD-O 3.26Å; P108-Q166 WeakPolarHBondContact CD-O 3.11Å; P108-Q166 HydrophobicContact CG-CB 4.23Å
109	Y	95.5	Very high	93.2	Very high	70 Å²	70	61.6 Å²	61.6	28%	0.275	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-51.3	175.3	170.9	-95.5	0	0	0	111.3	S107 A112 M113 L128 I165	S107-Y109 PolarHBondContact O-N 2.89Å; S107-Y109 PolarHBondContact OG-N 3.32Å; Y109-A112 PolarHBondContact O-N 3.33Å; Y109-M113 HydrophobicContact CD1-CE 4.37Å; Y109-M113 HydrophobicContact CE1-CE 3.41Å; Y109-M113 VanDerWaalsContact CE1-CE 3.41Å; Y109-M113 HydrophobicContact CE2-CE 4.32Å; Y109-M113 WeakPolarHBondContact O-CB 3.22Å; Y109-M113 PolarHBondContact O-N 3.04Å; Y109-M113 WeakPolarHBondContact OH-CE 3.4Å; Y109-L128 HydrophobicContact CE1-CD2 4.12Å; Y109-I165 HydrophobicContact CD1-CB 4.16Å; Y109-I165 HydrophobicContact CD1-CG2 3.92Å; Y109-I165 HydrophobicContact CE1-CG2 4.22Å; Y109-I165 HydrophobicContact CG-CB 4.46Å
110	F	95.8	Very high	92.4	Very high	1 Å²	1	64.5 Å²	64.5	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-35.1	177.6	-72.5	-53.9	0	0	0	112.2	L89 L103 S107 M113 F114 L128 I165	L89-F110 HydrophobicContact CD1-CE1 4.06Å; L89-F110 HydrophobicContact CD1-CZ 3.76Å; L89-F110 HydrophobicContact CD2-CE1 4.09Å; L103-F110 HydrophobicContact CB-CB 3.96Å; L103-F110 HydrophobicContact CB-CD2 3.9Å; L103-F110 HydrophobicContact CB-CG 4.01Å; L103-F110 HydrophobicContact CD1-CD2 4.27Å; L103-F110 HydrophobicContact CD1-CE2 4.36Å; L103-F110 HydrophobicContact CD1-CG 4.38Å; L103-F110 HydrophobicContact CD2-CD2 4.35Å; L103-F110 HydrophobicContact CD2-CE2 4.4Å; L103-F110 HydrophobicContact CG-CD2 4.41Å; S107-F110 PolarHBondContact O-N 3.05Å; S107-F110 WeakPolarHBondContact OG-CD2 3.47Å; S107-F110 PolarHBondContact OG-N 2.86Å; F110-M113 HydrophobicContact CD1-SD 4.11Å; F110-M113 HydrophobicContact CE1-SD 4.43Å; F110-M113 PolarHBondContact O-N 3.2Å; F110-F114 HydrophobicContact CB-CD2 4.18Å; F110-F114 HydrophobicContact CB-CE2 3.71Å; F110-F114 HydrophobicContact CB-CZ 4.21Å; F110-F114 HydrophobicContact CD1-CE1 4.45Å; F110-F114 HydrophobicContact CD1-CE2 4.1Å; F110-F114 AromaticContact CD1-CZ 3.72Å; F110-F114 HydrophobicContact CD1-CZ 3.72Å; F110-F114 HydrophobicContact CG-CE2 4.16Å; F110-F114 HydrophobicContact CG-CZ 4.26Å; F110-F114 WeakPolarHBondContact O-CB 3.35Å; F110-F114 WeakPolarHBondContact O-CD2 3.3Å; F110-F114 WeakPolarHBondContact O-CG 3.23Å; F110-F114 PolarHBondContact O-N 3.29Å; F110-L128 HydrophobicContact CE1-CD1 4.18Å; F110-L128 HydrophobicContact CE1-CD2 4.49Å; F110-L128 HydrophobicContact CZ-CD1 3.96Å; F110-I165 HydrophobicContact CE2-CB 4.26Å; F110-I165 HydrophobicContact CE2-CD1 3.93Å; F110-I165 HydrophobicContact CE2-CG2 4.18Å; F110-I165 HydrophobicContact CZ-CG2 4.19Å
111	R	95.6	Very high	91.6	Very high	126 Å²	126	63.2 Å²	63.2	48%	0.475	34%	0.338	S	S	.	.	H	α-helix	trans	-56.8	-53.9	172.5	-170.6	178.7	-61.4	177.7	1.8	110.7	A104 G105 S107 P108 M113 F114 T115	A104-R111 HydrophobicContact CB-CB 4.09Å; A104-R111 HydrophobicContact CB-CG 4.37Å; A104-R111 PolarHBondContact O-NE 3.39Å; A104-R111 PolarHBondContact O-NH2 2.94Å; G105-R111 PolarHBondContact O-NH2 2.86Å; S107-R111 PolarHBondContact O-N 3.21Å; P108-R111 PolarHBondContact O-N 3.28Å; R111-M113 VanDerWaalsContact C-N 3.3Å; R111-M113 PolarHBondContact O-N 3.16Å; R111-F114 PolarHBondContact O-N 3.23Å; R111-T115 PolarHBondContact O-N 3.29Å; R111-T115 PolarHBondContact O-OG1 3.41Å
112	A	94.4	Very high	91	Very high	56 Å²	56	64.9 Å²	64.9	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-39.2	178.3	0	0	0	0	0	112.4	P108 Y109 G116	P108-A112 WeakPolarHBondContact O-CB 3.23Å; P108-A112 PolarHBondContact O-N 2.84Å; Y109-A112 PolarHBondContact O-N 3.33Å; A112-G116 WeakPolarHBondContact O-CA 3.15Å; A112-G116 PolarHBondContact O-N 2.88Å
113	M	93.8	Very high	90.6	Very high	13 Å²	13	67.3 Å²	67.3	6%	0.064	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-41.3	176.8	-179.4	-176.8	-75.6	0	0	112.9	Y109 F110 R111 E120 A121 I126 L128	Y109-M113 HydrophobicContact CD1-CE 4.37Å; Y109-M113 HydrophobicContact CE1-CE 3.41Å; Y109-M113 VanDerWaalsContact CE1-CE 3.41Å; Y109-M113 HydrophobicContact CE2-CE 4.32Å; Y109-M113 WeakPolarHBondContact O-CB 3.22Å; Y109-M113 PolarHBondContact O-N 3.04Å; Y109-M113 WeakPolarHBondContact OH-CE 3.4Å; F110-M113 HydrophobicContact CD1-SD 4.11Å; F110-M113 HydrophobicContact CE1-SD 4.43Å; F110-M113 PolarHBondContact O-N 3.2Å; R111-M113 VanDerWaalsContact C-N 3.3Å; R111-M113 PolarHBondContact O-N 3.16Å; M113-E120 HydrophobicContact CG-CB 3.88Å; M113-E120 HydrophobicContact SD-CB 4.47Å; M113-A121 WeakPolarHBondContact O-CA 3.38Å; M113-A121 WeakPolarHBondContact O-CB 3.26Å; M113-I126 HydrophobicContact CE-CG2 4.23Å; M113-I126 HydrophobicContact CG-CD1 4.46Å; M113-I126 HydrophobicContact SD-CD1 3.65Å; M113-I126 HydrophobicContact SD-CG2 3.93Å; M113-L128 HydrophobicContact CE-CD2 4.39Å
114	F	93.6	Very high	90.2	Very high	24 Å²	24	72.2 Å²	72.2	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-90.1	-23.9	-173.8	-57.9	-29.8	0	0	0	114.1	V87 R100 L103 A104 F110 R111 I126	V87-F114 HydrophobicContact CG1-CZ 4.32Å; V87-F114 HydrophobicContact CG2-CE1 4.4Å; V87-F114 HydrophobicContact CG2-CZ 4.43Å; R100-F114 HydrophobicContact CB-CD2 3.73Å; R100-F114 HydrophobicContact CB-CE2 3.96Å; R100-F114 HydrophobicContact CB-CG 4.24Å; R100-F114 HydrophobicContact CG-CD1 4.31Å; R100-F114 HydrophobicContact CG-CD2 3.94Å; R100-F114 HydrophobicContact CG-CE1 4.33Å; R100-F114 HydrophobicContact CG-CE2 3.95Å; R100-F114 HydrophobicContact CG-CG 4.14Å; R100-F114 HydrophobicContact CG-CZ 4.16Å; L103-F114 HydrophobicContact CB-CE2 3.94Å; L103-F114 HydrophobicContact CD1-CE2 4.22Å; L103-F114 HydrophobicContact CD1-CZ 4.29Å; A104-F114 HydrophobicContact CB-CD2 4.29Å; F110-F114 HydrophobicContact CB-CD2 4.18Å; F110-F114 HydrophobicContact CB-CE2 3.71Å; F110-F114 HydrophobicContact CB-CZ 4.21Å; F110-F114 HydrophobicContact CD1-CE1 4.45Å; F110-F114 HydrophobicContact CD1-CE2 4.1Å; F110-F114 AromaticContact CD1-CZ 3.72Å; F110-F114 HydrophobicContact CD1-CZ 3.72Å; F110-F114 HydrophobicContact CG-CE2 4.16Å; F110-F114 HydrophobicContact CG-CZ 4.26Å; F110-F114 WeakPolarHBondContact O-CB 3.35Å; F110-F114 WeakPolarHBondContact O-CD2 3.3Å; F110-F114 WeakPolarHBondContact O-CG 3.23Å; F110-F114 PolarHBondContact O-N 3.29Å; R111-F114 PolarHBondContact O-N 3.23Å; F114-I126 HydrophobicContact CD1-CD1 4.42Å; F114-I126 HydrophobicContact CE1-CD1 3.61Å
115	T	91.9	Very high	90.1	Very high	109 Å²	109	77.7 Å²	77.7	67%	0.669	41%	0.406	S	S	*	.	H	α-helix	trans	-105.7	-2	179.1	71.2	0	0	0	0	113.4	R111	R111-T115 PolarHBondContact O-N 3.29Å; R111-T115 PolarHBondContact O-OG1 3.41Å
116	G	86.4	Confident	90	Very high	30 Å²	30	75.5 Å²	75.5	31%	0.309	38%	0.383	S	S	.	.	S	Bend	trans	-83.7	172	176.6	0	0	0	0	0	113.3	A112 M118 A121	A112-G116 WeakPolarHBondContact O-CA 3.15Å; A112-G116 PolarHBondContact O-N 2.88Å; G116-M118 PolarHBondContact O-N 3.34Å; G116-A121 WeakPolarHBondContact O-CB 3.34Å
117	E	81.6	Confident	89.7	Confident	208 Å²	208	81 Å²	81	97%	0.972	40%	0.401	S	S	*	.	S	Bend	trans	-86.4	15.1	177	-60.3	-177.2	170.3	0	0	113.1
118	M	78.3	Confident	89.5	Confident	105 Å²	105	81.2 Å²	81.2	52%	0.517	40%	0.401	S	S	.	.	S	Bend	trans	-81.2	157.7	-178.9	-65	-169.8	-69.2	0	0	111.9	G116 E120 A121	G116-M118 PolarHBondContact O-N 3.34Å; M118-E120 PolarHBondContact O-N 2.98Å; M118-A121 VanDerWaalsContact O-CB 3.23Å; M118-A121 WeakPolarHBondContact O-CB 3.44Å; M118-A121 PolarHBondContact O-N 3.41Å
119	R	80.2	Confident	89.2	Confident	195 Å²	195	84.1 Å²	84.1	74%	0.736	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-56.4	-38.9	-177.7	-178.7	179.6	178.6	173.5	0.2	112.2	A121 L122 L123	R119-A121 PolarHBondContact O-N 2.85Å; R119-L122 PolarHBondContact O-N 3.21Å; R119-L123 HydrophobicContact CG-CD1 4.48Å
120	E	80.5	Confident	88.9	Confident	75 Å²	75	91 Å²	91	35%	0.35	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-59.9	-28.4	-179.1	-67.5	77	-174.9	0	0	112.2	M113 M118 L122 L123	M113-E120 HydrophobicContact CG-CB 3.88Å; M113-E120 HydrophobicContact SD-CB 4.47Å; M118-E120 PolarHBondContact O-N 2.98Å; E120-L122 PolarHBondContact O-N 2.58Å; E120-L122 VanDerWaalsContact O-N 3.16Å; E120-L123 PolarHBondContact O-N 2.85Å; E120-L123 VanDerWaalsContact O-N 3.14Å
121	A	79.4	Confident	88.7	Confident	15 Å²	15	91.3 Å²	91.3	12%	0.124	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-59	-29.1	176	0	0	0	0	0	111.8	R100 M113 G116 M118 R119	R100-A121 VanDerWaalsContact CZ-O 3.29Å; R100-A121 PolarHBondContact NH1-O 2.81Å; R100-A121 PolarHBondContact NH2-O 3.35Å; M113-A121 WeakPolarHBondContact O-CA 3.38Å; M113-A121 WeakPolarHBondContact O-CB 3.26Å; G116-A121 WeakPolarHBondContact O-CB 3.34Å; M118-A121 VanDerWaalsContact O-CB 3.23Å; M118-A121 WeakPolarHBondContact O-CB 3.44Å; M118-A121 PolarHBondContact O-N 3.41Å; R119-A121 PolarHBondContact O-N 2.85Å
122	L	83.1	Confident	88.6	Confident	162 Å²	162	87.3 Å²	87.3	85%	0.848	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-98.4	-7.5	-179.2	-59.3	177.8	0	0	0	113.9	R119 E120	R119-L122 PolarHBondContact O-N 3.21Å; E120-L122 PolarHBondContact O-N 2.58Å; E120-L122 VanDerWaalsContact O-N 3.16Å
123	L	88.3	Confident	88.6	Confident	62 Å²	62	85 Å²	85	33%	0.325	41%	0.41	S	S	.	.			trans	-82.9	132.1	-177.3	-65.7	179.5	0	0	0	111.6	R100 R119 E120 I126	R100-L123 PolarHBondContact NH2-O 2.86Å; R119-L123 HydrophobicContact CG-CD1 4.48Å; E120-L123 PolarHBondContact O-N 2.85Å; E120-L123 VanDerWaalsContact O-N 3.14Å; L123-I126 HydrophobicContact CB-CG1 4.2Å
124	H	90.5	Very high	88.7	Confident	106 Å²	106	87.5 Å²	87.5	49%	0.491	43%	0.426	S	S	.	.	S	Bend	trans	-78.9	-26.5	171.4	-167.8	67	0	0	0	112.2	D86 V87 T88	D86-H124 VanDerWaalsContact C-CE1 3.43Å; D86-H124 PolarHBondContact O-CE1 3.34Å; D86-H124 PolarHBondContact O-ND1 3.29Å; V87-H124 CarbonylContact C-O 3.51Å; V87-H124 WeakPolarHBondContact CA-O 3.44Å; T88-H124 PolarHBondContact N-O 2.86Å
125	E	94.1	Very high	88.9	Confident	126 Å²	126	86.4 Å²	86.4	59%	0.589	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.6	173.1	-70.4	-175.6	-176	0	0	110.8	T88	T88-E125 WeakPolarHBondContact O-CA 3.41Å
126	I	93.5	Very high	89.1	Confident	5 Å²	5	81.2 Å²	81.2	3%	0.026	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.4	-177.8	-60.1	177.4	0	0	0	109	V87 T88 L89 C90 M113 F114 L123 L128	V87-I126 HydrophobicContact CG2-CD1 3.79Å; V87-I126 HydrophobicContact CG2-CG1 4.16Å; T88-I126 PolarHBondContact O-N 2.93Å; L89-I126 HydrophobicContact CD2-CB 4.1Å; L89-I126 HydrophobicContact CD2-CG2 4.48Å; C90-I126 PolarHBondContact N-O 3.4Å; M113-I126 HydrophobicContact CE-CG2 4.23Å; M113-I126 HydrophobicContact CG-CD1 4.46Å; M113-I126 HydrophobicContact SD-CD1 3.65Å; M113-I126 HydrophobicContact SD-CG2 3.93Å; F114-I126 HydrophobicContact CD1-CD1 4.42Å; F114-I126 HydrophobicContact CE1-CD1 3.61Å; L123-I126 HydrophobicContact CB-CG1 4.2Å; I126-L128 HydrophobicContact CG2-CD2 4.27Å
127	K	93	Very high	89.6	Confident	150 Å²	150	84.1 Å²	84.1	65%	0.652	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.3	177	-66.2	-178	-179.2	-179.2	0	109.7	C90	C90-K127 HydrophobicContact CB-CG 4.1Å; C90-K127 CarbonylContact O-C 3.55Å; C90-K127 WeakPolarHBondContact O-CA 3.39Å
128	L	92.8	Very high	90.4	Very high	6 Å²	6	77.3 Å²	77.3	3%	0.031	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-100	125.7	173.6	-63.9	176.8	0	0	0	109	L89 C90 V91 Y109 F110 M113 I126 L136	L89-L128 HydrophobicContact CB-CD1 4.27Å; L89-L128 HydrophobicContact CD1-CD1 4.04Å; L89-L128 HydrophobicContact CD2-CD1 4.15Å; L89-L128 HydrophobicContact CG-CD1 4.39Å; C90-L128 PolarHBondContact O-N 2.81Å; V91-L128 HydrophobicContact CG2-CB 3.83Å; Y109-L128 HydrophobicContact CE1-CD2 4.12Å; F110-L128 HydrophobicContact CE1-CD1 4.18Å; F110-L128 HydrophobicContact CE1-CD2 4.49Å; F110-L128 HydrophobicContact CZ-CD1 3.96Å; M113-L128 HydrophobicContact CE-CD2 4.39Å; I126-L128 HydrophobicContact CG2-CD2 4.27Å; L128-L136 HydrophobicContact CD1-CD1 4.25Å; L128-L136 HydrophobicContact CD1-CD2 3.82Å
129	H	90.8	Very high	91.4	Very high	122 Å²	122	72.4 Å²	72.4	57%	0.565	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-102	154.1	-179.8	-61.4	-71.3	0	0	0	110.5	I131	H129-I131 PolarHBondContact O-N 3.3Å; H129-I131 VanDerWaalsContact O-N 3.11Å
130	Y	88.6	Confident	92.2	Very high	214 Å²	214	63.1 Å²	63.1	84%	0.839	30%	0.302	S	S	*	.	S	Bend	trans	61.7	15.7	174	-47.1	-74.2	0	0	0	116.2
131	I	93	Very high	93	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.046	30%	0.299	C	S	.	.			trans	-109.8	138.4	172.4	-62.2	-179.8	0	0	0	108.8	V91 H129 L136 A161 M164 I165	V91-I131 WeakPolarHBondContact CG1-O 3.1Å; H129-I131 PolarHBondContact O-N 3.3Å; H129-I131 VanDerWaalsContact O-N 3.11Å; I131-L136 HydrophobicContact CG2-CB 3.87Å; I131-A161 HydrophobicContact CG2-CB 3.87Å; I131-M164 HydrophobicContact CD1-CB 4.48Å; I131-M164 HydrophobicContact CD1-CG 4.31Å; I131-M164 HydrophobicContact CD1-SD 3.59Å; I131-M164 VanDerWaalsContact CD1-SD 3.59Å; I131-M164 HydrophobicContact CG1-CE 3.98Å; I131-M164 HydrophobicContact CG1-SD 3.35Å; I131-M164 WeakPolarHBondContact CG1-SD 3.3Å; I131-I165 HydrophobicContact CD1-CG2 3.77Å
132	S	92.9	Very high	93.9	Very high	42 Å²	42	63.5 Å²	63.5	29%	0.294	30%	0.302	S	S	.	.			trans	-70.6	131.7	170.9	177.7	0	0	0	0	110.3	T134 A135 L136 E157	S132-T134 PolarHBondContact O-N 2.96Å; S132-T134 PolarHBondContact OG-OG1 2.69Å; S132-A135 PolarHBondContact O-N 3.27Å; S132-L136 PolarHBondContact O-N 2.93Å; S132-E157 WeakPolarHBondContact CB-OE2 3.31Å; S132-E157 PolarHBondContact OG-OE2 2.91Å
133	A	94.9	Very high	94.6	Very high	6 Å²	6	56.3 Å²	56.3	5%	0.05	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-34.7	179.5	0	0	0	0	0	112.1	V91 E94 L136 K137	V91-A133 HydrophobicContact CB-CB 4.35Å; V91-A133 HydrophobicContact CG1-CB 4.03Å; E94-A133 HydrophobicContact CB-CB 4.14Å; E94-A133 HydrophobicContact CG-CB 4.15Å; E94-A133 VanDerWaalsContact OE1-CB 3.28Å; E94-A133 WeakPolarHBondContact OE1-CB 3.5Å; A133-L136 PolarHBondContact O-N 3.09Å; A133-K137 VanDerWaalsContact O-CG 3.31Å; A133-K137 WeakPolarHBondContact O-CG 3.47Å; A133-K137 PolarHBondContact O-N 2.8Å
134	T	95.6	Very high	95.1	Very high	67 Å²	67	53.5 Å²	53.5	41%	0.411	25%	0.251	S	S	.	.	H	α-helix	trans	-65.6	-43.2	175.2	52.3	0	0	0	0	111.9	S132 K138 E157	S132-T134 PolarHBondContact O-N 2.96Å; S132-T134 PolarHBondContact OG-OG1 2.69Å; T134-K138 PolarHBondContact O-N 2.88Å; T134-E157 PolarHBondContact OG1-OE1 3.26Å; T134-E157 PolarHBondContact OG1-OE2 3.19Å
135	A	96.9	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-44	176.8	0	0	0	0	0	111.3	S132 K137 K138 L139 E157 A161	S132-A135 PolarHBondContact O-N 3.27Å; A135-K137 PolarHBondContact O-N 3.31Å; A135-K138 PolarHBondContact O-N 2.9Å; A135-L139 VanDerWaalsContact O-CG 3.3Å; A135-L139 WeakPolarHBondContact O-CG 3.33Å; A135-L139 PolarHBondContact O-N 3.06Å; A135-E157 HydrophobicContact CB-CB 4.35Å; A135-E157 HydrophobicContact CB-CG 4.27Å; A135-A161 HydrophobicContact CB-CB 3.75Å
136	L	97.4	Very high	95.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-45.8	177.5	-177.4	61.6	0	0	0	111.6	L89 V91 I96 L128 I131 S132 A133 K138 L139 I140	L89-L136 HydrophobicContact CB-CD2 4.29Å; L89-L136 HydrophobicContact CD1-CD1 4.48Å; L89-L136 HydrophobicContact CD1-CD2 4.37Å; V91-L136 HydrophobicContact CG2-CD2 3.41Å; V91-L136 VanDerWaalsContact CG2-CD2 3.41Å; I96-L136 HydrophobicContact CD1-CD2 4.02Å; I96-L136 HydrophobicContact CD1-CG 4.16Å; L128-L136 HydrophobicContact CD1-CD1 4.25Å; L128-L136 HydrophobicContact CD1-CD2 3.82Å; I131-L136 HydrophobicContact CG2-CB 3.87Å; S132-L136 PolarHBondContact O-N 2.93Å; A133-L136 PolarHBondContact O-N 3.09Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 3.29Å; L136-L139 PolarHBondContact O-N 3.41Å; L136-L139 VanDerWaalsContact O-N 3.13Å; L136-I140 HydrophobicContact CD1-CD1 4.09Å; L136-I140 HydrophobicContact CD1-CG1 4.16Å; L136-I140 HydrophobicContact CD2-CD1 4.37Å; L136-I140 HydrophobicContact CG-CD1 3.81Å; L136-I140 HydrophobicContact CG-CG1 4.3Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.35Å; L136-I140 PolarHBondContact O-N 3.37Å
137	K	96.8	Very high	95.7	Very high	91 Å²	91	56 Å²	56	40%	0.396	27%	0.273	S	S	.	.	H	α-helix	trans	-54.5	-47.9	175.5	-77.5	172.4	171.3	174.1	0	111.7	E94 I96 A133 A135 L139 I140 D141	E94-K137 WeakPolarHBondContact OE2-CE 3.37Å; E94-K137 IonicContact OE2-NZ 2.58Å; E94-K137 PolarHBondContact OE2-NZ 3.17Å; I96-K137 HydrophobicContact CD1-CG 3.53Å; I96-K137 HydrophobicContact CG1-CG 4.35Å; A133-K137 VanDerWaalsContact O-CG 3.31Å; A133-K137 WeakPolarHBondContact O-CG 3.47Å; A133-K137 PolarHBondContact O-N 2.8Å; A135-K137 PolarHBondContact O-N 3.31Å; K137-L139 VanDerWaalsContact C-N 3.33Å; K137-L139 PolarHBondContact O-N 2.98Å; K137-I140 PolarHBondContact O-N 2.88Å; K137-D141 PolarHBondContact O-N 3.27Å
138	K	97.9	Very high	96	Very high	65 Å²	65	50.9 Å²	50.9	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-36.8	177.3	-75.9	179.8	169.5	-74.7	0	113.4	T134 A135 L136 F142 I148	T134-K138 PolarHBondContact O-N 2.88Å; A135-K138 PolarHBondContact O-N 2.9Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 3.29Å; K138-F142 WeakPolarHBondContact O-CB 3.05Å; K138-F142 PolarHBondContact O-N 2.96Å; K138-I148 HydrophobicContact CB-CD1 4.31Å
139	L	98.4	Very high	96.2	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-72.1	-35.8	177.7	-70.7	168.4	0	0	0	112.2	A135 L136 K137 F142 A143 I148 L158 A161 A162 I165 M167 V170	A135-L139 VanDerWaalsContact O-CG 3.3Å; A135-L139 WeakPolarHBondContact O-CG 3.33Å; A135-L139 PolarHBondContact O-N 3.06Å; L136-L139 PolarHBondContact O-N 3.41Å; L136-L139 VanDerWaalsContact O-N 3.13Å; K137-L139 VanDerWaalsContact C-N 3.33Å; K137-L139 PolarHBondContact O-N 2.98Å; L139-F142 WeakPolarHBondContact O-CB 3.28Å; L139-F142 PolarHBondContact O-N 3.03Å; L139-A143 PolarHBondContact O-N 3.19Å; L139-I148 HydrophobicContact CD2-CD1 4.11Å; L139-L158 HydrophobicContact CD1-CD1 4.23Å; L139-L158 HydrophobicContact CD2-CD1 3.6Å; L139-L158 HydrophobicContact CG-CD1 3.69Å; L139-A161 HydrophobicContact CD1-CB 3.47Å; L139-A161 VanDerWaalsContact CD1-CB 3.47Å; L139-A162 HydrophobicContact CD1-CB 4.43Å; L139-A162 HydrophobicContact CD2-CB 3.95Å; L139-I165 HydrophobicContact CB-CD1 4.07Å; L139-I165 HydrophobicContact CD1-CD1 3.89Å; L139-I165 HydrophobicContact CD1-CG1 4.25Å; L139-I165 HydrophobicContact CG-CD1 4.47Å; L139-M167 HydrophobicContact CB-SD 4.09Å; L139-M167 HydrophobicContact CD2-SD 3.77Å; L139-M167 HydrophobicContact CG-SD 4.44Å; L139-V170 HydrophobicContact CD2-CB 4.35Å; L139-V170 HydrophobicContact CD2-CG1 3.89Å; L139-V170 HydrophobicContact CD2-CG2 4.26Å
140	I	97.9	Very high	96.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-48.2	171.8	-66.6	171	0	0	0	109.6	F79 L89 I96 L103 L136 K137 F142 A143 Y144	F79-I140 HydrophobicContact CE1-CG2 4.15Å; F79-I140 HydrophobicContact CE2-CG2 3.81Å; F79-I140 HydrophobicContact CZ-CG2 3.53Å; L89-I140 HydrophobicContact CD1-CD1 3.98Å; I96-I140 HydrophobicContact CB-CD1 4.21Å; I96-I140 HydrophobicContact CD1-CD1 3.88Å; I96-I140 HydrophobicContact CG2-CD1 3.72Å; L103-I140 HydrophobicContact CD2-CG1 4.19Å; L136-I140 HydrophobicContact CD1-CD1 4.09Å; L136-I140 HydrophobicContact CD1-CG1 4.16Å; L136-I140 HydrophobicContact CD2-CD1 4.37Å; L136-I140 HydrophobicContact CG-CD1 3.81Å; L136-I140 HydrophobicContact CG-CG1 4.3Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.35Å; L136-I140 PolarHBondContact O-N 3.37Å; K137-I140 PolarHBondContact O-N 2.88Å; I140-F142 PolarHBondContact O-N 3.41Å; I140-A143 WeakPolarHBondContact O-CA 3.31Å; I140-A143 VanDerWaalsContact O-CB 3.3Å; I140-A143 WeakPolarHBondContact O-CB 3.15Å; I140-A143 PolarHBondContact O-N 3.48Å; I140-Y144 HydrophobicContact CG2-CD2 4.08Å; I140-Y144 HydrophobicContact CG2-CE2 3.71Å; I140-Y144 WeakPolarHBondContact O-CD2 3.39Å; I140-Y144 PolarHBondContact O-N 3Å
141	D	97.7	Very high	97	Very high	55 Å²	55	44.9 Å²	44.9	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-55.9	-40.8	174.5	-70.1	-22.7	0	0	0	111.3	K137 Y144 T145	K137-D141 PolarHBondContact O-N 3.27Å; D141-Y144 PolarHBondContact O-N 3.38Å; D141-T145 WeakPolarHBondContact O-CB 3.47Å; D141-T145 VanDerWaalsContact O-CG2 3.28Å; D141-T145 WeakPolarHBondContact O-CG2 3.35Å; D141-T145 PolarHBondContact O-N 3.1Å; D141-T145 PolarHBondContact O-OG1 3.06Å
142	F	98.3	Very high	97.1	Very high	42 Å²	42	51.5 Å²	51.5	18%	0.184	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-39.1	173.7	173.2	-97.1	0	0	0	112.6	K138 L139 I140 Y144 T145 G146 I148 M167 V170	K138-F142 WeakPolarHBondContact O-CB 3.05Å; K138-F142 PolarHBondContact O-N 2.96Å; L139-F142 WeakPolarHBondContact O-CB 3.28Å; L139-F142 PolarHBondContact O-N 3.03Å; I140-F142 PolarHBondContact O-N 3.41Å; F142-Y144 PolarHBondContact O-N 3.5Å; F142-T145 PolarHBondContact O-N 3.13Å; F142-G146 WeakPolarHBondContact CE2-O 3.3Å; F142-G146 WeakPolarHBondContact O-CA 3.28Å; F142-G146 PolarHBondContact O-N 3.26Å; F142-I148 HydrophobicContact CB-CB 4.18Å; F142-I148 HydrophobicContact CB-CD1 4.09Å; F142-I148 HydrophobicContact CD2-CB 3.81Å; F142-I148 HydrophobicContact CD2-CG2 3.97Å; F142-I148 HydrophobicContact CE2-CG2 4.38Å; F142-I148 HydrophobicContact CG-CB 4.27Å; F142-M167 HydrophobicContact CD1-CE 3.43Å; F142-M167 VanDerWaalsContact CD1-CE 3.43Å; F142-M167 HydrophobicContact CD1-SD 4.23Å; F142-M167 HydrophobicContact CE1-CE 3.72Å; F142-V170 HydrophobicContact CD1-CG2 3.56Å; F142-V170 HydrophobicContact CD2-CG2 4.28Å; F142-V170 HydrophobicContact CE1-CG2 3.37Å; F142-V170 HydrophobicContact CE2-CG2 4.11Å; F142-V170 HydrophobicContact CG-CG2 4.03Å; F142-V170 HydrophobicContact CZ-CG2 3.67Å
143	A	98.2	Very high	97.3	Very high	12 Å²	12	60.9 Å²	60.9	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-32.9	176.6	0	0	0	0	0	112.6	M72 V102 L103 A106 L139 I140 M167	M72-A143 VanDerWaalsContact CE-O 3.3Å; M72-A143 WeakPolarHBondContact CE-O 3.49Å; V102-A143 HydrophobicContact CG1-CB 4.21Å; L103-A143 HydrophobicContact CD2-CB 4.34Å; A106-A143 HydrophobicContact CB-CB 3.56Å; L139-A143 PolarHBondContact O-N 3.19Å; I140-A143 WeakPolarHBondContact O-CA 3.31Å; I140-A143 VanDerWaalsContact O-CB 3.3Å; I140-A143 WeakPolarHBondContact O-CB 3.15Å; I140-A143 PolarHBondContact O-N 3.48Å; A143-M167 HydrophobicContact CB-CE 4.3Å
144	Y	98.1	Very high	97.4	Very high	3 Å²	3	61.1 Å²	61.1	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-85.5	-34.6	175.5	-71.3	-83.7	0	0	0	113.9	M72 M75 Y76 F79 H99 V102 I140 D141 F142	M72-Y144 VanDerWaalsContact CE-O 3.23Å; M72-Y144 WeakPolarHBondContact CE-O 3.42Å; M75-Y144 HydrophobicContact CB-CD1 4.2Å; M75-Y144 HydrophobicContact CB-CE1 4.23Å; M75-Y144 WeakPolarHBondContact O-CE1 3.47Å; Y76-Y144 HydrophobicContact CD2-CD1 4.34Å; Y76-Y144 HydrophobicContact CD2-CD2 4.16Å; Y76-Y144 AromaticContact CD2-CG 3.73Å; Y76-Y144 HydrophobicContact CD2-CG 3.73Å; Y76-Y144 HydrophobicContact CG-CG 4.45Å; F79-Y144 HydrophobicContact CB-CD1 4.34Å; F79-Y144 HydrophobicContact CB-CD2 4.48Å; F79-Y144 HydrophobicContact CB-CE1 3.77Å; F79-Y144 HydrophobicContact CB-CE2 3.97Å; F79-Y144 AromaticContact CD1-CD2 3.94Å; F79-Y144 HydrophobicContact CD1-CD2 3.94Å; F79-Y144 AromaticContact CD1-CE2 3.85Å; F79-Y144 HydrophobicContact CD1-CE2 3.85Å; F79-Y144 AromaticContact CD2-CE2 3.82Å; F79-Y144 HydrophobicContact CD2-CE2 3.82Å; F79-Y144 AromaticContact CD2-CZ 3.98Å; F79-Y144 HydrophobicContact CE1-CD2 4.34Å; F79-Y144 HydrophobicContact CE1-CE2 4.28Å; F79-Y144 HydrophobicContact CE2-CE2 4.25Å; F79-Y144 HydrophobicContact CG-CD2 4.12Å; F79-Y144 HydrophobicContact CG-CE1 4.33Å; F79-Y144 AromaticContact CG-CE2 3.59Å; F79-Y144 HydrophobicContact CG-CE2 3.59Å; F79-Y144 AromaticContact CG-CZ 3.72Å; F79-Y144 HydrophobicContact CZ-CE2 4.47Å; H99-Y144 PolarHBondContact N-OH 3.3Å; H99-Y144 AromaticContact ND1-CE1 3.57Å; H99-Y144 AromaticContact ND1-CZ 3.57Å; H99-Y144 PolarHBondContact ND1-OH 3.25Å; V102-Y144 HydrophobicContact CB-CD1 4.46Å; V102-Y144 HydrophobicContact CB-CE1 3.92Å; V102-Y144 HydrophobicContact CG1-CD1 3.79Å; V102-Y144 HydrophobicContact CG1-CD2 4.33Å; V102-Y144 HydrophobicContact CG1-CE1 3.71Å; V102-Y144 HydrophobicContact CG1-CE2 4.23Å; V102-Y144 HydrophobicContact CG1-CG 4.09Å; V102-Y144 HydrophobicContact CG2-CD1 4.24Å; V102-Y144 HydrophobicContact CG2-CE1 3.68Å; I140-Y144 HydrophobicContact CG2-CD2 4.08Å; I140-Y144 HydrophobicContact CG2-CE2 3.71Å; I140-Y144 WeakPolarHBondContact O-CD2 3.39Å; I140-Y144 PolarHBondContact O-N 3Å; D141-Y144 PolarHBondContact O-N 3.38Å; F142-Y144 PolarHBondContact O-N 3.5Å
145	T	97.1	Very high	97.5	Very high	49 Å²	49	58.1 Å²	58.1	30%	0.301	28%	0.279	S	S	.	.	H	α-helix	trans	-106.8	-18.3	-166.5	64.1	0	0	0	0	114.4	Y76 D141 F142 R147	Y76-T145 HydrophobicContact CD1-CG2 3.97Å; Y76-T145 HydrophobicContact CD2-CG2 4.31Å; Y76-T145 HydrophobicContact CE1-CG2 3.8Å; Y76-T145 HydrophobicContact CE2-CG2 4.16Å; Y76-T145 HydrophobicContact CG-CG2 4.23Å; D141-T145 WeakPolarHBondContact O-CB 3.47Å; D141-T145 VanDerWaalsContact O-CG2 3.28Å; D141-T145 WeakPolarHBondContact O-CG2 3.35Å; D141-T145 PolarHBondContact O-N 3.1Å; D141-T145 PolarHBondContact O-OG1 3.06Å; F142-T145 PolarHBondContact O-N 3.13Å; T145-R147 PolarHBondContact O-N 3.11Å; T145-R147 PolarHBondContact OG1-N 3Å; T145-R147 PolarHBondContact OG1-O 2.58Å
146	G	96.7	Very high	97.5	Very high	55 Å²	55	60.9 Å²	60.9	57%	0.567	30%	0.297	S	S	*	.	S	Bend	trans	64.8	13.3	-168.6	0	0	0	0	0	113.9	F142	F142-G146 WeakPolarHBondContact CE2-O 3.3Å; F142-G146 WeakPolarHBondContact O-CA 3.28Å; F142-G146 PolarHBondContact O-N 3.26Å
147	R	97.7	Very high	97.4	Very high	185 Å²	185	63.7 Å²	63.7	70%	0.698	31%	0.311	S	S	*	.			trans	-124.2	136.7	-174.9	-65.1	173.5	-177.9	-172.2	-3.7	110.6	T145	T145-R147 PolarHBondContact O-N 3.11Å; T145-R147 PolarHBondContact OG1-N 3Å; T145-R147 PolarHBondContact OG1-O 2.58Å
148	I	98.1	Very high	97.5	Very high	43 Å²	43	59.4 Å²	59.4	22%	0.221	29%	0.292	C	S	.	.			trans	-145.1	134.9	175.8	-163.7	157.3	0	0	0	111.1	K138 L139 F142 I150 L158 V170	K138-I148 HydrophobicContact CB-CD1 4.31Å; L139-I148 HydrophobicContact CD2-CD1 4.11Å; F142-I148 HydrophobicContact CB-CB 4.18Å; F142-I148 HydrophobicContact CB-CD1 4.09Å; F142-I148 HydrophobicContact CD2-CB 3.81Å; F142-I148 HydrophobicContact CD2-CG2 3.97Å; F142-I148 HydrophobicContact CE2-CG2 4.38Å; F142-I148 HydrophobicContact CG-CB 4.27Å; I148-I150 HydrophobicContact CG2-CG1 4.34Å; I148-L158 HydrophobicContact CD1-CD1 3.54Å; I148-L158 HydrophobicContact CD1-CD2 3.64Å; I148-L158 HydrophobicContact CD1-CG 4.14Å; I148-L158 HydrophobicContact CG1-CD2 3.98Å; I148-V170 HydrophobicContact CD1-CG1 4.02Å
149	Q	97.9	Very high	97.5	Very high	141 Å²	141	56.3 Å²	56.3	66%	0.659	28%	0.279	S	S	*	.			trans	-95.1	114.4	176.7	-174.8	-173.9	-2.7	0	0	109.9	N154	Q149-N154 PolarHBondContact O-ND2 2.84Å
150	I	98.4	Very high	97.4	Very high	35 Å²	35	59.2 Å²	59.2	18%	0.179	29%	0.294	C	S	.	.			trans	-100	135.3	176.5	-54	174.8	0	0	0	108.6	I148 V155 L158 A173 F177	I148-I150 HydrophobicContact CG2-CG1 4.34Å; I150-V155 HydrophobicContact CG2-CB 3.85Å; I150-V155 HydrophobicContact CG2-CG2 3.79Å; I150-L158 HydrophobicContact CG1-CD2 3.92Å; I150-A173 HydrophobicContact CD1-CB 3.6Å; I150-F177 HydrophobicContact CG2-CB 3.94Å; I150-F177 HydrophobicContact CG2-CD1 3.92Å; I150-F177 HydrophobicContact CG2-CD2 4.07Å; I150-F177 HydrophobicContact CG2-CE1 4.46Å; I150-F177 HydrophobicContact CG2-CG 3.7Å
151	S	97.5	Very high	97.4	Very high	39 Å²	39	59.2 Å²	59.2	27%	0.273	29%	0.294	S	S	.	.			trans	-145.6	167.6	176.4	71.9	0	0	0	0	110.6	R153 N154 V155	S151-R153 PolarHBondContact O-N 3.35Å; S151-R153 VanDerWaalsContact O-N 3.1Å; S151-R153 PolarHBondContact OG-N 2.91Å; S151-N154 PolarHBondContact N-OD1 3.04Å; S151-N154 PolarHBondContact O-N 3.47Å; S151-N154 VanDerWaalsContact O-N 3.11Å; S151-N154 PolarHBondContact O-OD1 3.47Å; S151-N154 VanDerWaalsContact O-OD1 3.07Å; S151-V155 WeakPolarHBondContact O-CB 3.26Å; S151-V155 PolarHBondContact O-N 2.85Å
152	E	95.4	Very high	97.4	Very high	148 Å²	148	56.6 Å²	56.6	69%	0.692	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.8	176	-65.5	171.8	-161.3	0	0	113	F177	E152-F177 HydrophobicContact CG-CE1 4.38Å; E152-F177 HydrophobicContact CG-CZ 4.16Å
153	R	96.1	Very high	97.3	Very high	240 Å²	240	57.2 Å²	57.2	91%	0.906	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-24.8	-177.3	-62.8	-176.7	-176.4	172	1.3	113.6	S151	S151-R153 PolarHBondContact O-N 3.35Å; S151-R153 VanDerWaalsContact O-N 3.1Å; S151-R153 PolarHBondContact OG-N 2.91Å
154	N	96.8	Very high	97.1	Very high	10 Å²	10	60 Å²	60	5%	0.053	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-13.9	-171	73.8	11.7	0	0	0	114.3	Q149 S151 C156 E157 L158	Q149-N154 PolarHBondContact O-ND2 2.84Å; S151-N154 PolarHBondContact N-OD1 3.04Å; S151-N154 PolarHBondContact O-N 3.47Å; S151-N154 VanDerWaalsContact O-N 3.11Å; S151-N154 PolarHBondContact O-OD1 3.47Å; S151-N154 VanDerWaalsContact O-OD1 3.07Å; N154-C156 VanDerWaalsContact C-N 3.31Å; N154-C156 PolarHBondContact O-N 2.81Å; N154-E157 HydrophobicContact CB-CG 4.43Å; N154-E157 WeakPolarHBondContact O-CG 3.3Å; N154-E157 PolarHBondContact O-N 3.17Å; N154-L158 WeakPolarHBondContact O-CB 3.4Å; N154-L158 PolarHBondContact O-N 3.31Å
155	V	97.8	Very high	97	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-38.9	-169.4	62.1	0	0	0	0	113.1	I150 S151 L159 C174 F177 L178	I150-V155 HydrophobicContact CG2-CB 3.85Å; I150-V155 HydrophobicContact CG2-CG2 3.79Å; S151-V155 WeakPolarHBondContact O-CB 3.26Å; S151-V155 PolarHBondContact O-N 2.85Å; V155-L159 VanDerWaalsContact O-CB 3.26Å; V155-L159 WeakPolarHBondContact O-CB 3.33Å; V155-L159 PolarHBondContact O-N 2.89Å; V155-C174 HydrophobicContact CG2-CB 3.9Å; V155-F177 HydrophobicContact CB-CD1 4.07Å; V155-F177 HydrophobicContact CB-CE1 4.28Å; V155-F177 HydrophobicContact CG1-CD1 4.25Å; V155-F177 HydrophobicContact CG1-CE1 4.18Å; V155-F177 HydrophobicContact CG2-CD1 3.88Å; V155-L178 HydrophobicContact CG1-CD2 3.77Å; V155-L178 HydrophobicContact CG1-CG 4.44Å; V155-L178 HydrophobicContact CG2-CD1 4.14Å; V155-L178 HydrophobicContact CG2-CD2 4.09Å; V155-L178 HydrophobicContact CG2-CG 3.81Å
156	C	96.4	Very high	97	Very high	58 Å²	58	62.8 Å²	62.8	39%	0.392	31%	0.311	S	S	.	.	H	α-helix	trans	-68.9	-50	-179.1	-62.5	0	0	0	0	112.1	N154 L158 L159 I160 F193	N154-C156 VanDerWaalsContact C-N 3.31Å; N154-C156 PolarHBondContact O-N 2.81Å; C156-L158 VanDerWaalsContact C-N 3.26Å; C156-L158 PolarHBondContact O-N 2.9Å; C156-L159 PolarHBondContact O-N 3.41Å; C156-I160 WeakPolarHBondContact O-CG1 3.46Å; C156-I160 PolarHBondContact O-N 3.22Å; C156-I160 VanDerWaalsContact O-N 3.13Å; C156-F193 HydrophobicContact CB-CE2 3.89Å; C156-F193 HydrophobicContact CB-CZ 3.89Å
157	E	96.7	Very high	97.1	Very high	60 Å²	60	60.5 Å²	60.5	28%	0.28	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-36.1	177.5	60.1	167.8	-168.7	0	0	111.6	S132 T134 A135 N154 A161	S132-E157 WeakPolarHBondContact CB-OE2 3.31Å; S132-E157 PolarHBondContact OG-OE2 2.91Å; T134-E157 PolarHBondContact OG1-OE1 3.26Å; T134-E157 PolarHBondContact OG1-OE2 3.19Å; A135-E157 HydrophobicContact CB-CB 4.35Å; A135-E157 HydrophobicContact CB-CG 4.27Å; N154-E157 HydrophobicContact CB-CG 4.43Å; N154-E157 WeakPolarHBondContact O-CG 3.3Å; N154-E157 PolarHBondContact O-N 3.17Å; E157-A161 VanDerWaalsContact O-CB 3.3Å; E157-A161 WeakPolarHBondContact O-CB 3.5Å; E157-A161 PolarHBondContact O-N 2.87Å
158	L	98	Very high	97	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70	-42.5	179.9	-177.1	61.1	0	0	0	111.7	L139 I148 I150 N154 C156 A161 A162 V170	L139-L158 HydrophobicContact CD1-CD1 4.23Å; L139-L158 HydrophobicContact CD2-CD1 3.6Å; L139-L158 HydrophobicContact CG-CD1 3.69Å; I148-L158 HydrophobicContact CD1-CD1 3.54Å; I148-L158 HydrophobicContact CD1-CD2 3.64Å; I148-L158 HydrophobicContact CD1-CG 4.14Å; I148-L158 HydrophobicContact CG1-CD2 3.98Å; I150-L158 HydrophobicContact CG1-CD2 3.92Å; N154-L158 WeakPolarHBondContact O-CB 3.4Å; N154-L158 PolarHBondContact O-N 3.31Å; C156-L158 VanDerWaalsContact C-N 3.26Å; C156-L158 PolarHBondContact O-N 2.9Å; L158-A161 PolarHBondContact O-N 3.35Å; L158-A162 WeakPolarHBondContact O-CB 3.14Å; L158-A162 PolarHBondContact O-N 2.99Å; L158-V170 HydrophobicContact CD1-CG1 4.28Å; L158-V170 HydrophobicContact CD2-CG1 4.28Å; L158-V170 HydrophobicContact CG-CG1 4.09Å
159	L	97.8	Very high	97	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-45.4	177.2	-175.2	149.3	0	0	0	111.2	V155 C156 A162 S163 C174 L178 F193 N197	V155-L159 VanDerWaalsContact O-CB 3.26Å; V155-L159 WeakPolarHBondContact O-CB 3.33Å; V155-L159 PolarHBondContact O-N 2.89Å; C156-L159 PolarHBondContact O-N 3.41Å; L159-A162 PolarHBondContact O-N 3.16Å; L159-S163 VanDerWaalsContact O-CB 3.26Å; L159-S163 WeakPolarHBondContact O-CB 3.14Å; L159-S163 PolarHBondContact O-N 3.19Å; L159-C174 HydrophobicContact CB-CB 3.86Å; L159-C174 HydrophobicContact CD1-CB 3.76Å; L159-C174 HydrophobicContact CG-CB 4.16Å; L159-L178 HydrophobicContact CD1-CD1 4.13Å; L159-F193 HydrophobicContact CB-CE1 4.37Å; L159-F193 HydrophobicContact CB-CZ 4.25Å; L159-F193 HydrophobicContact CD1-CE1 4.03Å; L159-F193 HydrophobicContact CD2-CE1 3.84Å; L159-F193 HydrophobicContact CD2-CZ 3.88Å; L159-F193 HydrophobicContact CG-CE1 4.3Å; L159-F193 HydrophobicContact CG-CZ 4.48Å; L159-N197 HydrophobicContact CD2-CB 3.85Å
160	I	96.9	Very high	97	Very high	64 Å²	64	52.7 Å²	52.7	33%	0.328	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-50.8	177.6	-67.4	164.2	0	0	0	110	C156 S163 M164 F193 N197	C156-I160 WeakPolarHBondContact O-CG1 3.46Å; C156-I160 PolarHBondContact O-N 3.22Å; C156-I160 VanDerWaalsContact O-N 3.13Å; I160-S163 PolarHBondContact O-N 3.21Å; I160-M164 PolarHBondContact O-N 3.35Å; I160-F193 HydrophobicContact CD1-CE2 3.96Å; I160-F193 HydrophobicContact CD1-CZ 4.46Å; I160-F193 HydrophobicContact CG1-CE2 4.09Å; I160-F193 HydrophobicContact CG1-CZ 4.17Å; I160-N197 WeakPolarHBondContact CG1-OD1 3.49Å
161	A	97.1	Very high	97	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-47.4	-179.2	0	0	0	0	0	111.5	I131 A135 L139 E157 L158 S163 M164 I165	I131-A161 HydrophobicContact CG2-CB 3.87Å; A135-A161 HydrophobicContact CB-CB 3.75Å; L139-A161 HydrophobicContact CD1-CB 3.47Å; L139-A161 VanDerWaalsContact CD1-CB 3.47Å; E157-A161 VanDerWaalsContact O-CB 3.3Å; E157-A161 WeakPolarHBondContact O-CB 3.5Å; E157-A161 PolarHBondContact O-N 2.87Å; L158-A161 PolarHBondContact O-N 3.35Å; A161-S163 VanDerWaalsContact C-N 3.3Å; A161-S163 PolarHBondContact O-N 3.24Å; A161-M164 PolarHBondContact O-N 3.41Å; A161-I165 WeakPolarHBondContact O-CG1 3.44Å; A161-I165 PolarHBondContact O-N 3.1Å
162	A	97.7	Very high	97.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-37.7	178.6	0	0	0	0	0	112.3	L139 L158 L159 Q166 M167 V170 V171	L139-A162 HydrophobicContact CD1-CB 4.43Å; L139-A162 HydrophobicContact CD2-CB 3.95Å; L158-A162 WeakPolarHBondContact O-CB 3.14Å; L158-A162 PolarHBondContact O-N 2.99Å; L159-A162 PolarHBondContact O-N 3.16Å; A162-Q166 CarbonylContact O-C 3.59Å; A162-Q166 WeakPolarHBondContact O-CA 3.48Å; A162-Q166 PolarHBondContact O-N 3.13Å; A162-M167 HydrophobicContact CB-CB 4.33Å; A162-M167 PolarHBondContact O-N 2.8Å; A162-V170 HydrophobicContact CB-CB 3.95Å; A162-V170 HydrophobicContact CB-CG1 3.83Å; A162-V171 HydrophobicContact CB-CG2 3.73Å
163	S	96.1	Very high	97.2	Very high	54 Å²	54	50.5 Å²	50.5	38%	0.378	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-46.9	175	-172.6	0	0	0	0	111.1	L159 I160 A161 I165 Q166	L159-S163 VanDerWaalsContact O-CB 3.26Å; L159-S163 WeakPolarHBondContact O-CB 3.14Å; L159-S163 PolarHBondContact O-N 3.19Å; I160-S163 PolarHBondContact O-N 3.21Å; A161-S163 VanDerWaalsContact C-N 3.3Å; A161-S163 PolarHBondContact O-N 3.24Å; S163-I165 PolarHBondContact O-N 3Å; S163-Q166 PolarHBondContact O-N 2.87Å
164	M	95.4	Very high	97.3	Very high	72 Å²	72	39.1 Å²	39.1	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-43.2	-179.9	-168.7	180	-56.5	0	0	112.7	I131 I160 A161 Q166	I131-M164 HydrophobicContact CD1-CB 4.48Å; I131-M164 HydrophobicContact CD1-CG 4.31Å; I131-M164 HydrophobicContact CD1-SD 3.59Å; I131-M164 VanDerWaalsContact CD1-SD 3.59Å; I131-M164 HydrophobicContact CG1-CE 3.98Å; I131-M164 HydrophobicContact CG1-SD 3.35Å; I131-M164 WeakPolarHBondContact CG1-SD 3.3Å; I160-M164 PolarHBondContact O-N 3.35Å; A161-M164 PolarHBondContact O-N 3.41Å; M164-Q166 VanDerWaalsContact C-N 3.3Å
165	I	95.7	Very high	97.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	14.1	176.5	68.9	162.1	0	0	0	113.2	S107 Y109 F110 I131 L139 A161 S163 M167	S107-I165 WeakPolarHBondContact CB-O 3.48Å; S107-I165 PolarHBondContact OG-O 2.93Å; Y109-I165 HydrophobicContact CD1-CB 4.16Å; Y109-I165 HydrophobicContact CD1-CG2 3.92Å; Y109-I165 HydrophobicContact CE1-CG2 4.22Å; Y109-I165 HydrophobicContact CG-CB 4.46Å; F110-I165 HydrophobicContact CE2-CB 4.26Å; F110-I165 HydrophobicContact CE2-CD1 3.93Å; F110-I165 HydrophobicContact CE2-CG2 4.18Å; F110-I165 HydrophobicContact CZ-CG2 4.19Å; I131-I165 HydrophobicContact CD1-CG2 3.77Å; L139-I165 HydrophobicContact CB-CD1 4.07Å; L139-I165 HydrophobicContact CD1-CD1 3.89Å; L139-I165 HydrophobicContact CD1-CG1 4.25Å; L139-I165 HydrophobicContact CG-CD1 4.47Å; A161-I165 WeakPolarHBondContact O-CG1 3.44Å; A161-I165 PolarHBondContact O-N 3.1Å; S163-I165 PolarHBondContact O-N 3Å; I165-M167 HydrophobicContact CD1-CG 3.98Å; I165-M167 HydrophobicContact CD1-SD 3.6Å; I165-M167 HydrophobicContact CG1-CG 4Å; I165-M167 HydrophobicContact CG1-SD 4.24Å; I165-M167 PolarHBondContact O-N 3.1Å
166	Q	97.2	Very high	97.4	Very high	105 Å²	105	41.6 Å²	41.6	49%	0.491	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	35.9	171.6	-55.7	-178.4	25.7	0	0	115.8	P108 A162 S163 M164 S168	P108-Q166 HydrophobicContact CB-CB 4.28Å; P108-Q166 VanDerWaalsContact CD-O 3.26Å; P108-Q166 WeakPolarHBondContact CD-O 3.11Å; P108-Q166 HydrophobicContact CG-CB 4.23Å; A162-Q166 CarbonylContact O-C 3.59Å; A162-Q166 WeakPolarHBondContact O-CA 3.48Å; A162-Q166 PolarHBondContact O-N 3.13Å; S163-Q166 PolarHBondContact O-N 2.87Å; M164-Q166 VanDerWaalsContact C-N 3.3Å; Q166-S168 PolarHBondContact O-N 3.18Å
167	M	98.1	Very high	97.5	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.039	22%	0.221	C	C	.	.			trans	-86	77.3	172.3	-65.9	-172.3	106.9	0	0	111	A106 L139 F142 A143 A162 I165 H169 V170 V171	A106-M167 HydrophobicContact CB-CE 3.6Å; L139-M167 HydrophobicContact CB-SD 4.09Å; L139-M167 HydrophobicContact CD2-SD 3.77Å; L139-M167 HydrophobicContact CG-SD 4.44Å; F142-M167 HydrophobicContact CD1-CE 3.43Å; F142-M167 VanDerWaalsContact CD1-CE 3.43Å; F142-M167 HydrophobicContact CD1-SD 4.23Å; F142-M167 HydrophobicContact CE1-CE 3.72Å; A143-M167 HydrophobicContact CB-CE 4.3Å; A162-M167 HydrophobicContact CB-CB 4.33Å; A162-M167 PolarHBondContact O-N 2.8Å; I165-M167 HydrophobicContact CD1-CG 3.98Å; I165-M167 HydrophobicContact CD1-SD 3.6Å; I165-M167 HydrophobicContact CG1-CG 4Å; I165-M167 HydrophobicContact CG1-SD 4.24Å; I165-M167 PolarHBondContact O-N 3.1Å; M167-H169 PolarHBondContact O-N 2.89Å; M167-V170 HydrophobicContact CB-CB 4.26Å; M167-V170 HydrophobicContact CB-CG2 4.16Å; M167-V170 PolarHBondContact O-N 3.4Å; M167-V171 PolarHBondContact O-N 3.13Å; M167-V171 VanDerWaalsContact O-N 3.1Å
168	S	96.8	Very high	97.6	Very high	67 Å²	67	38.3 Å²	38.3	47%	0.469	21%	0.21	S	C	.	.	H	α-helix	trans	-55.5	-41	-171.6	59.2	0	0	0	0	114.6	Q166 V170 V171 Q172	Q166-S168 PolarHBondContact O-N 3.18Å; S168-V170 VanDerWaalsContact C-N 3.32Å; S168-V170 PolarHBondContact O-N 2.88Å; S168-V171 WeakPolarHBondContact O-CB 3.46Å; S168-V171 PolarHBondContact O-N 2.91Å; S168-Q172 WeakPolarHBondContact O-CG 3.26Å; S168-Q172 PolarHBondContact O-N 2.84Å
169	H	97.8	Very high	97.6	Very high	136 Å²	136	40.8 Å²	40.8	63%	0.63	22%	0.221	S	C	*	.	H	α-helix	trans	-64.2	-35.2	178.1	-67.1	-59.1	0	0	0	112.9	M167 A173	M167-H169 PolarHBondContact O-N 2.89Å; H169-A173 WeakPolarHBondContact O-CB 3.17Å; H169-A173 PolarHBondContact O-N 2.91Å
170	V	98.3	Very high	97.6	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-71	-41.9	175.1	-177.8	0	0	0	0	110.1	L139 F142 I148 L158 A162 M167 S168 Q172 A173 C174	L139-V170 HydrophobicContact CD2-CB 4.35Å; L139-V170 HydrophobicContact CD2-CG1 3.89Å; L139-V170 HydrophobicContact CD2-CG2 4.26Å; F142-V170 HydrophobicContact CD1-CG2 3.56Å; F142-V170 HydrophobicContact CD2-CG2 4.28Å; F142-V170 HydrophobicContact CE1-CG2 3.37Å; F142-V170 HydrophobicContact CE2-CG2 4.11Å; F142-V170 HydrophobicContact CG-CG2 4.03Å; F142-V170 HydrophobicContact CZ-CG2 3.67Å; I148-V170 HydrophobicContact CD1-CG1 4.02Å; L158-V170 HydrophobicContact CD1-CG1 4.28Å; L158-V170 HydrophobicContact CD2-CG1 4.28Å; L158-V170 HydrophobicContact CG-CG1 4.09Å; A162-V170 HydrophobicContact CB-CB 3.95Å; A162-V170 HydrophobicContact CB-CG1 3.83Å; M167-V170 HydrophobicContact CB-CB 4.26Å; M167-V170 HydrophobicContact CB-CG2 4.16Å; M167-V170 PolarHBondContact O-N 3.4Å; S168-V170 VanDerWaalsContact C-N 3.32Å; S168-V170 PolarHBondContact O-N 2.88Å; V170-Q172 VanDerWaalsContact C-N 3.32Å; V170-Q172 PolarHBondContact O-N 3.35Å; V170-A173 PolarHBondContact O-N 3.5Å; V170-C174 PolarHBondContact O-N 3.4Å; V170-C174 PolarHBondContact O-SG 3.39Å; V170-C174 VanDerWaalsContact O-SG 3.35Å
171	V	98.1	Very high	97.7	Very high	24 Å²	24	48.4 Å²	48.4	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-57.5	-45.5	173.9	177.2	0	0	0	0	111	A162 M167 S168 C174 C175	A162-V171 HydrophobicContact CB-CG2 3.73Å; M167-V171 PolarHBondContact O-N 3.13Å; M167-V171 VanDerWaalsContact O-N 3.1Å; S168-V171 WeakPolarHBondContact O-CB 3.46Å; S168-V171 PolarHBondContact O-N 2.91Å; V171-C174 PolarHBondContact O-N 3.36Å; V171-C175 WeakPolarHBondContact O-CB 3.33Å; V171-C175 PolarHBondContact O-N 3.24Å; V171-C175 PolarHBondContact O-SG 2.69Å
172	Q	98	Very high	97.7	Very high	113 Å²	113	49.7 Å²	49.7	53%	0.528	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.7	-73.6	172.1	-6	0	0	112.6	S168 V170 C175 S176	S168-Q172 WeakPolarHBondContact O-CG 3.26Å; S168-Q172 PolarHBondContact O-N 2.84Å; V170-Q172 VanDerWaalsContact C-N 3.32Å; V170-Q172 PolarHBondContact O-N 3.35Å; Q172-C175 PolarHBondContact O-N 2.89Å; Q172-S176 WeakPolarHBondContact O-CB 3.5Å; Q172-S176 PolarHBondContact O-N 3.44Å; Q172-S176 PolarHBondContact O-OG 3.07Å
173	A	98.4	Very high	97.7	Very high	39 Å²	39	54.2 Å²	54.2	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-43.4	175.8	0	0	0	0	0	111.6	I150 H169 V170 S176 F177	I150-A173 HydrophobicContact CD1-CB 3.6Å; H169-A173 WeakPolarHBondContact O-CB 3.17Å; H169-A173 PolarHBondContact O-N 2.91Å; V170-A173 PolarHBondContact O-N 3.5Å; A173-S176 PolarHBondContact O-N 2.95Å; A173-F177 WeakPolarHBondContact O-CB 3.37Å; A173-F177 PolarHBondContact O-N 2.81Å
174	C	98.6	Very high	97.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-43.7	174.1	-69.4	0	0	0	0	111.9	V155 L159 V170 V171 S176 F177 L178	V155-C174 HydrophobicContact CG2-CB 3.9Å; L159-C174 HydrophobicContact CB-CB 3.86Å; L159-C174 HydrophobicContact CD1-CB 3.76Å; L159-C174 HydrophobicContact CG-CB 4.16Å; V170-C174 PolarHBondContact O-N 3.4Å; V170-C174 PolarHBondContact O-SG 3.39Å; V170-C174 VanDerWaalsContact O-SG 3.35Å; V171-C174 PolarHBondContact O-N 3.36Å; C174-S176 PolarHBondContact O-N 2.97Å; C174-F177 PolarHBondContact O-N 2.91Å; C174-L178 WeakPolarHBondContact O-CG 3.37Å; C174-L178 PolarHBondContact O-N 3.32Å
175	C	98.5	Very high	97.9	Very high	12 Å²	12	51 Å²	51	8%	0.081	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-42.6	175.7	-70.3	0	0	0	0	111.7	V171 Q172 L178 K179 L202	V171-C175 WeakPolarHBondContact O-CB 3.33Å; V171-C175 PolarHBondContact O-N 3.24Å; V171-C175 PolarHBondContact O-SG 2.69Å; Q172-C175 PolarHBondContact O-N 2.89Å; C175-L178 PolarHBondContact O-N 2.94Å; C175-K179 WeakPolarHBondContact O-CG 3.41Å; C175-K179 PolarHBondContact O-N 3.33Å; C175-L202 HydrophobicContact CB-CB 4.4Å
176	S	98.4	Very high	98	Very high	54 Å²	54	53 Å²	53	38%	0.378	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-42.7	176.6	-61.5	0	0	0	0	111.9	Q172 A173 C174 K179 Q180	Q172-S176 WeakPolarHBondContact O-CB 3.5Å; Q172-S176 PolarHBondContact O-N 3.44Å; Q172-S176 PolarHBondContact O-OG 3.07Å; A173-S176 PolarHBondContact O-N 2.95Å; C174-S176 PolarHBondContact O-N 2.97Å; S176-K179 PolarHBondContact O-N 3.41Å; S176-Q180 WeakPolarHBondContact O-CG 3.36Å; S176-Q180 PolarHBondContact O-N 3.39Å
177	F	98.6	Very high	98.1	Very high	39 Å²	39	48 Å²	48	17%	0.171	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-48.7	173.6	-179.6	-90.6	0	0	0	111.3	I150 E152 V155 A173 C174 K179 Q180 Q181	I150-F177 HydrophobicContact CG2-CB 3.94Å; I150-F177 HydrophobicContact CG2-CD1 3.92Å; I150-F177 HydrophobicContact CG2-CD2 4.07Å; I150-F177 HydrophobicContact CG2-CE1 4.46Å; I150-F177 HydrophobicContact CG2-CG 3.7Å; E152-F177 HydrophobicContact CG-CE1 4.38Å; E152-F177 HydrophobicContact CG-CZ 4.16Å; V155-F177 HydrophobicContact CB-CD1 4.07Å; V155-F177 HydrophobicContact CB-CE1 4.28Å; V155-F177 HydrophobicContact CG1-CD1 4.25Å; V155-F177 HydrophobicContact CG1-CE1 4.18Å; V155-F177 HydrophobicContact CG2-CD1 3.88Å; A173-F177 WeakPolarHBondContact O-CB 3.37Å; A173-F177 PolarHBondContact O-N 2.81Å; C174-F177 PolarHBondContact O-N 2.91Å; F177-K179 PolarHBondContact O-N 3.11Å; F177-Q180 WeakPolarHBondContact O-CB 3.42Å; F177-Q180 PolarHBondContact O-N 2.86Å; F177-Q180 VanDerWaalsContact O-N 3.13Å; F177-Q181 HydrophobicContact CD1-CG 4.15Å; F177-Q181 HydrophobicContact CE1-CG 3.78Å; F177-Q181 HydrophobicContact CZ-CG 3.99Å; F177-Q181 WeakPolarHBondContact O-CG 3.38Å; F177-Q181 PolarHBondContact O-N 2.89Å
178	L	98.6	Very high	98	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.052	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-38	178.9	-71.9	171.5	0	0	0	112.9	V155 L159 C174 C175 Q180 Q181 L182 I190 F193 L202	V155-L178 HydrophobicContact CG1-CD2 3.77Å; V155-L178 HydrophobicContact CG1-CG 4.44Å; V155-L178 HydrophobicContact CG2-CD1 4.14Å; V155-L178 HydrophobicContact CG2-CD2 4.09Å; V155-L178 HydrophobicContact CG2-CG 3.81Å; L159-L178 HydrophobicContact CD1-CD1 4.13Å; C174-L178 WeakPolarHBondContact O-CG 3.37Å; C174-L178 PolarHBondContact O-N 3.32Å; C175-L178 PolarHBondContact O-N 2.94Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.11Å; L178-Q181 PolarHBondContact O-N 3.1Å; L178-Q181 VanDerWaalsContact O-N 3.15Å; L178-L182 PolarHBondContact O-N 3.19Å; L178-I190 HydrophobicContact CB-CG2 4.41Å; L178-I190 HydrophobicContact CD2-CD1 4.48Å; L178-I190 HydrophobicContact CD2-CG1 4.5Å; L178-F193 HydrophobicContact CD1-CD1 4.15Å; L178-F193 HydrophobicContact CD1-CE1 3.97Å; L178-L202 HydrophobicContact CB-CD1 3.83Å; L178-L202 HydrophobicContact CB-CD2 3.91Å; L178-L202 HydrophobicContact CD1-CD2 3.61Å; L178-L202 HydrophobicContact CG-CD2 4.41Å
179	K	98.3	Very high	98	Very high	53 Å²	53	46.7 Å²	46.7	23%	0.23	25%	0.25	C	C	.	.	H	α-helix	trans	-59.4	-40.4	173.7	-73.7	176.7	-168.3	166.1	0	111.7	C175 S176 F177 Q181 L182 E201 L202 A205	C175-K179 WeakPolarHBondContact O-CG 3.41Å; C175-K179 PolarHBondContact O-N 3.33Å; S176-K179 PolarHBondContact O-N 3.41Å; F177-K179 PolarHBondContact O-N 3.11Å; K179-Q181 VanDerWaalsContact C-N 3.25Å; K179-Q181 PolarHBondContact O-N 2.93Å; K179-L182 WeakPolarHBondContact O-CG 3.23Å; K179-L182 PolarHBondContact O-N 2.93Å; K179-E201 IonicContact NZ-OE1 2.8Å; K179-E201 PolarHBondContact NZ-OE1 3.32Å; K179-E201 IonicContact NZ-OE2 3.36Å; K179-E201 PolarHBondContact NZ-OE2 2.83Å; K179-L202 HydrophobicContact CB-CD1 4.48Å; K179-L202 HydrophobicContact CG-CD1 3.6Å; K179-A205 HydrophobicContact CD-CB 4.37Å; K179-A205 HydrophobicContact CG-CB 4.17Å
180	Q	97.9	Very high	98	Very high	155 Å²	155	40.9 Å²	40.9	72%	0.724	22%	0.223	S	C	*	.	H	α-helix	trans	-71.1	-20.9	178.5	-68.6	172.5	4.3	0	0	113.1	S176 F177 L178	S176-Q180 WeakPolarHBondContact O-CG 3.36Å; S176-Q180 PolarHBondContact O-N 3.39Å; F177-Q180 WeakPolarHBondContact O-CB 3.42Å; F177-Q180 PolarHBondContact O-N 2.86Å; F177-Q180 VanDerWaalsContact O-N 3.13Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.11Å
181	Q	97.3	Very high	98	Very high	68 Å²	68	42 Å²	42	32%	0.318	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.6	179.6	-62.9	-56.6	-38.3	0	0	113.7	F177 L178 K179 H183 N186	F177-Q181 HydrophobicContact CD1-CG 4.15Å; F177-Q181 HydrophobicContact CE1-CG 3.78Å; F177-Q181 HydrophobicContact CZ-CG 3.99Å; F177-Q181 WeakPolarHBondContact O-CG 3.38Å; F177-Q181 PolarHBondContact O-N 2.89Å; L178-Q181 PolarHBondContact O-N 3.1Å; L178-Q181 VanDerWaalsContact O-N 3.15Å; K179-Q181 VanDerWaalsContact C-N 3.25Å; K179-Q181 PolarHBondContact O-N 2.93Å; Q181-H183 PolarHBondContact O-N 3.38Å; Q181-H183 VanDerWaalsContact O-N 3.16Å; Q181-N186 PolarHBondContact O-ND2 3.27Å; Q181-N186 PolarHBondContact O-OD1 2.89Å
182	L	98.1	Very high	97.9	Very high	29 Å²	29	44.7 Å²	44.7	15%	0.152	24%	0.239	C	C	.	.			trans	-59.2	120.3	177	-76.6	170	0	0	0	110.6	L178 K179 A187 I190 A206 F209	L178-L182 PolarHBondContact O-N 3.19Å; K179-L182 WeakPolarHBondContact O-CG 3.23Å; K179-L182 PolarHBondContact O-N 2.93Å; L182-A187 HydrophobicContact CD2-CB 4.2Å; L182-I190 HydrophobicContact CD2-CB 4.28Å; L182-I190 HydrophobicContact CD2-CD1 4.07Å; L182-I190 HydrophobicContact CD2-CG2 4Å; L182-A206 HydrophobicContact CD2-CB 3.82Å; L182-F209 HydrophobicContact CB-CD1 4.4Å; L182-F209 HydrophobicContact CB-CD2 3.89Å; L182-F209 HydrophobicContact CB-CE2 4.08Å; L182-F209 HydrophobicContact CB-CG 4.06Å; L182-F209 HydrophobicContact CB-CZ 4.43Å; L182-F209 HydrophobicContact CD1-CB 4.08Å; L182-F209 HydrophobicContact CD1-CD2 4.44Å; L182-F209 HydrophobicContact CD1-CG 4.36Å
183	H	98.3	Very high	97.9	Very high	94 Å²	94	41.1 Å²	41.1	44%	0.435	22%	0.222	S	C	.	.			trans	-140.2	151.1	-179.1	-176.6	-95.6	0	0	0	109.3	Q181 S185 N186 A187	Q181-H183 PolarHBondContact O-N 3.38Å; Q181-H183 VanDerWaalsContact O-N 3.16Å; H183-S185 WeakPolarHBondContact ND1-CB 3.28Å; H183-S185 PolarHBondContact ND1-N 3.49Å; H183-S185 VanDerWaalsContact ND1-N 3.19Å; H183-S185 PolarHBondContact ND1-OG 3.31Å; H183-S185 PolarHBondContact O-N 3.19Å; H183-N186 PolarHBondContact N-OD1 2.82Å; H183-N186 PolarHBondContact O-N 3.26Å; H183-N186 PolarHBondContact O-OD1 3.43Å; H183-A187 WeakPolarHBondContact O-CB 3.21Å; H183-A187 PolarHBondContact O-N 2.88Å
184	P	97.9	Very high	97.9	Very high	21 Å²	21	39.3 Å²	39.3	14%	0.136	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28	-180	-31	39.3	0	0	0	114.8	F209 E216 I217	P184-F209 HydrophobicContact CG-CE1 4.29Å; P184-F209 HydrophobicContact CG-CZ 4.34Å; P184-E216 HydrophobicContact CB-CB 3.93Å; P184-E216 HydrophobicContact CG-CB 3.98Å; P184-I217 HydrophobicContact CB-CG1 3.87Å; P184-I217 WeakPolarHBondContact O-CG1 3.43Å
185	S	97.7	Very high	97.7	Very high	37 Å²	37	44.2 Å²	44.2	26%	0.259	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.4	177.5	69.8	0	0	0	0	115	H183 H220 E222	H183-S185 WeakPolarHBondContact ND1-CB 3.28Å; H183-S185 PolarHBondContact ND1-N 3.49Å; H183-S185 VanDerWaalsContact ND1-N 3.19Å; H183-S185 PolarHBondContact ND1-OG 3.31Å; H183-S185 PolarHBondContact O-N 3.19Å; S185-H220 WeakPolarHBondContact CB-ND1 3.44Å; S185-E222 WeakPolarHBondContact O-CG 3.16Å; S185-E222 VanDerWaalsContact O-OE2 3.05Å
186	N	97.4	Very high	97.6	Very high	48 Å²	48	47.9 Å²	47.9	26%	0.257	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-11.3	-173.3	68.8	15.2	0	0	0	113.9	Q181 H183 I188 G189 I190	Q181-N186 PolarHBondContact O-ND2 3.27Å; Q181-N186 PolarHBondContact O-OD1 2.89Å; H183-N186 PolarHBondContact N-OD1 2.82Å; H183-N186 PolarHBondContact O-N 3.26Å; H183-N186 PolarHBondContact O-OD1 3.43Å; N186-I188 VanDerWaalsContact C-N 3.32Å; N186-I188 PolarHBondContact O-N 2.92Å; N186-G189 PolarHBondContact O-N 3.48Å; N186-G189 VanDerWaalsContact O-N 3.08Å; N186-I190 HydrophobicContact CB-CD1 4.33Å; N186-I190 WeakPolarHBondContact O-CG1 3.38Å; N186-I190 PolarHBondContact O-N 3.34Å; N186-I190 WeakPolarHBondContact OD1-CD1 3.41Å
187	A	98.2	Very high	97.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-39.5	-169.8	0	0	0	0	0	113.3	L182 H183 I190 Q191 F209 I210	L182-A187 HydrophobicContact CD2-CB 4.2Å; H183-A187 WeakPolarHBondContact O-CB 3.21Å; H183-A187 PolarHBondContact O-N 2.88Å; A187-I190 PolarHBondContact O-N 3.28Å; A187-Q191 WeakPolarHBondContact O-CB 3.42Å; A187-Q191 PolarHBondContact O-N 3.15Å; A187-F209 HydrophobicContact CB-CD1 3.6Å; A187-F209 HydrophobicContact CB-CE1 3.99Å; A187-I210 HydrophobicContact CB-CD1 4.4Å; A187-I210 HydrophobicContact CB-CG1 3.76Å
188	I	98	Very high	97.2	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-49.2	175.6	-67.9	174.5	0	0	0	110.4	N186 I190 Q191 E192 I210 I217 F223 L226	N186-I188 VanDerWaalsContact C-N 3.32Å; N186-I188 PolarHBondContact O-N 2.92Å; I188-I190 PolarHBondContact O-N 3.01Å; I188-Q191 WeakPolarHBondContact O-CB 3.49Å; I188-Q191 PolarHBondContact O-N 3.41Å; I188-E192 PolarHBondContact O-N 3.41Å; I188-I210 HydrophobicContact CG1-CD1 4.15Å; I188-I210 HydrophobicContact CG1-CG1 4.42Å; I188-I217 HydrophobicContact CD1-CG2 3.57Å; I188-I217 HydrophobicContact CG1-CG2 4.08Å; I188-F223 HydrophobicContact CD1-CB 4.06Å; I188-F223 HydrophobicContact CD1-CD2 4.39Å; I188-L226 HydrophobicContact CD1-CD1 4.29Å; I188-L226 HydrophobicContact CD1-CD2 4.46Å; I188-L226 HydrophobicContact CD1-CG 4.5Å; I188-L226 HydrophobicContact CG2-CD2 3.53Å
189	G	96.5	Very high	97.1	Very high	34 Å²	34	51.9 Å²	51.9	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-40.1	178.9	0	0	0	0	0	112.5	N186 Q191 E192 F193	N186-G189 PolarHBondContact O-N 3.48Å; N186-G189 VanDerWaalsContact O-N 3.08Å; G189-Q191 VanDerWaalsContact C-N 3.34Å; G189-Q191 PolarHBondContact O-N 3.38Å; G189-E192 PolarHBondContact O-N 3.48Å; G189-F193 WeakPolarHBondContact O-CB 3.38Å; G189-F193 PolarHBondContact O-N 3.13Å
190	I	98	Very high	97.1	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-42	174.6	-68.7	175	0	0	0	110.8	L178 L182 N186 A187 I188 A194 L202 A206	L178-I190 HydrophobicContact CB-CG2 4.41Å; L178-I190 HydrophobicContact CD2-CD1 4.48Å; L178-I190 HydrophobicContact CD2-CG1 4.5Å; L182-I190 HydrophobicContact CD2-CB 4.28Å; L182-I190 HydrophobicContact CD2-CD1 4.07Å; L182-I190 HydrophobicContact CD2-CG2 4Å; N186-I190 HydrophobicContact CB-CD1 4.33Å; N186-I190 WeakPolarHBondContact O-CG1 3.38Å; N186-I190 PolarHBondContact O-N 3.34Å; N186-I190 WeakPolarHBondContact OD1-CD1 3.41Å; A187-I190 PolarHBondContact O-N 3.28Å; I188-I190 PolarHBondContact O-N 3.01Å; I190-A194 VanDerWaalsContact O-CB 3.23Å; I190-A194 WeakPolarHBondContact O-CB 3.12Å; I190-A194 PolarHBondContact O-N 3.36Å; I190-L202 HydrophobicContact CG2-CD1 3.91Å; I190-L202 HydrophobicContact CG2-CD2 4.31Å; I190-L202 HydrophobicContact CG2-CG 4.18Å; I190-A206 HydrophobicContact CG2-CB 4.26Å
191	Q	98	Very high	97	Very high	24 Å²	24	53 Å²	53	11%	0.112	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-49.3	177.8	-172.7	-169.2	22.6	0	0	111.6	A187 I188 G189 A194 Q195 A206 Q207 I210	A187-Q191 WeakPolarHBondContact O-CB 3.42Å; A187-Q191 PolarHBondContact O-N 3.15Å; I188-Q191 WeakPolarHBondContact O-CB 3.49Å; I188-Q191 PolarHBondContact O-N 3.41Å; G189-Q191 VanDerWaalsContact C-N 3.34Å; G189-Q191 PolarHBondContact O-N 3.38Å; Q191-A194 PolarHBondContact O-N 2.87Å; Q191-Q195 WeakPolarHBondContact O-CG 3.33Å; Q191-Q195 PolarHBondContact O-N 3.44Å; Q191-A206 HydrophobicContact CB-CB 3.74Å; Q191-A206 HydrophobicContact CG-CB 4.27Å; Q191-Q207 VanDerWaalsContact NE2-CD 3.29Å; Q191-I210 HydrophobicContact CB-CD1 3.94Å; Q191-I210 HydrophobicContact CG-CD1 4.39Å
192	E	96.2	Very high	97.1	Very high	82 Å²	82	49.9 Å²	49.9	38%	0.383	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-42.9	179.9	-179.5	171.6	-144.8	0	0	111.6	I188 G189 A194 Q195 S196 Q230	I188-E192 PolarHBondContact O-N 3.41Å; G189-E192 PolarHBondContact O-N 3.48Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 3Å; E192-Q195 PolarHBondContact O-N 2.89Å; E192-S196 WeakPolarHBondContact O-CB 3.46Å; E192-S196 PolarHBondContact O-N 3.27Å; E192-S196 PolarHBondContact O-OG 2.86Å; E192-Q230 PolarHBondContact OE1-NE2 3.18Å
193	F	96.9	Very high	97.1	Very high	38 Å²	38	49.1 Å²	49.1	17%	0.167	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-45.2	173.7	176.5	-100.1	0	0	0	111.5	C156 L159 I160 L178 G189 Q195 S196 N197	C156-F193 HydrophobicContact CB-CE2 3.89Å; C156-F193 HydrophobicContact CB-CZ 3.89Å; L159-F193 HydrophobicContact CB-CE1 4.37Å; L159-F193 HydrophobicContact CB-CZ 4.25Å; L159-F193 HydrophobicContact CD1-CE1 4.03Å; L159-F193 HydrophobicContact CD2-CE1 3.84Å; L159-F193 HydrophobicContact CD2-CZ 3.88Å; L159-F193 HydrophobicContact CG-CE1 4.3Å; L159-F193 HydrophobicContact CG-CZ 4.48Å; I160-F193 HydrophobicContact CD1-CE2 3.96Å; I160-F193 HydrophobicContact CD1-CZ 4.46Å; I160-F193 HydrophobicContact CG1-CE2 4.09Å; I160-F193 HydrophobicContact CG1-CZ 4.17Å; L178-F193 HydrophobicContact CD1-CD1 4.15Å; L178-F193 HydrophobicContact CD1-CE1 3.97Å; G189-F193 WeakPolarHBondContact O-CB 3.38Å; G189-F193 PolarHBondContact O-N 3.13Å; F193-Q195 PolarHBondContact O-N 3.49Å; F193-S196 PolarHBondContact O-N 3.46Å; F193-N197 WeakPolarHBondContact CD2-ND2 3.48Å; F193-N197 VanDerWaalsContact CE2-ND2 3.28Å; F193-N197 WeakPolarHBondContact CE2-ND2 3.47Å; F193-N197 WeakPolarHBondContact O-CB 3.42Å; F193-N197 PolarHBondContact O-N 3.43Å; F193-N197 VanDerWaalsContact O-N 3.11Å; F193-N197 PolarHBondContact O-ND2 3.19Å
194	A	97.9	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-39.9	178.1	0	0	0	0	0	112.2	I190 Q191 E192 N197 N198 C199 L202	I190-A194 VanDerWaalsContact O-CB 3.23Å; I190-A194 WeakPolarHBondContact O-CB 3.12Å; I190-A194 PolarHBondContact O-N 3.36Å; Q191-A194 PolarHBondContact O-N 2.87Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 3Å; A194-N197 CarbonylContact O-C 3.56Å; A194-N197 PolarHBondContact O-N 3.02Å; A194-N198 PolarHBondContact O-N 2.89Å; A194-N198 VanDerWaalsContact O-N 3.13Å; A194-C199 HydrophobicContact CB-CB 4.11Å; A194-C199 PolarHBondContact O-N 2.9Å; A194-L202 HydrophobicContact CB-CB 4.02Å; A194-L202 HydrophobicContact CB-CD2 3.74Å; A194-L202 HydrophobicContact CB-CG 3.7Å
195	Q	96.4	Very high	97.1	Very high	103 Å²	103	51.9 Å²	51.9	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-47.1	175.5	-72.4	173.1	-8.3	0	0	111.5	Q191 E192 F193 N197 N198 S203	Q191-Q195 WeakPolarHBondContact O-CG 3.33Å; Q191-Q195 PolarHBondContact O-N 3.44Å; E192-Q195 PolarHBondContact O-N 2.89Å; F193-Q195 PolarHBondContact O-N 3.49Å; Q195-N197 PolarHBondContact O-N 3.44Å; Q195-N198 PolarHBondContact O-N 3.4Å; Q195-N198 VanDerWaalsContact O-N 3.1Å; Q195-S203 WeakPolarHBondContact CG-OG 3.43Å; Q195-S203 PolarHBondContact NE2-OG 2.96Å
196	S	95	Very high	97.1	Very high	89 Å²	89	50.1 Å²	50.1	62%	0.622	28%	0.276	S	S	*	.	H	α-helix	trans	-62.2	-26.2	180	-57.5	0	0	0	0	112.9	E192 F193	E192-S196 WeakPolarHBondContact O-CB 3.46Å; E192-S196 PolarHBondContact O-N 3.27Å; E192-S196 PolarHBondContact O-OG 2.86Å; F193-S196 PolarHBondContact O-N 3.46Å
197	N	94.6	Very high	97.1	Very high	31 Å²	31	49.2 Å²	49.2	17%	0.166	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	16.7	179.1	-67.3	-79.6	0	0	0	113.5	L159 I160 F193 A194 Q195 C199	L159-N197 HydrophobicContact CD2-CB 3.85Å; I160-N197 WeakPolarHBondContact CG1-OD1 3.49Å; F193-N197 WeakPolarHBondContact CD2-ND2 3.48Å; F193-N197 VanDerWaalsContact CE2-ND2 3.28Å; F193-N197 WeakPolarHBondContact CE2-ND2 3.47Å; F193-N197 WeakPolarHBondContact O-CB 3.42Å; F193-N197 PolarHBondContact O-N 3.43Å; F193-N197 VanDerWaalsContact O-N 3.11Å; F193-N197 PolarHBondContact O-ND2 3.19Å; A194-N197 CarbonylContact O-C 3.56Å; A194-N197 PolarHBondContact O-N 3.02Å; Q195-N197 PolarHBondContact O-N 3.44Å; N197-C199 PolarHBondContact O-N 3.08Å; N197-C199 VanDerWaalsContact O-N 3.1Å; N197-C199 PolarHBondContact O-SG 3.36Å; N197-C199 VanDerWaalsContact O-SG 3.4Å
198	N	94.8	Very high	97	Very high	143 Å²	143	54.7 Å²	54.7	77%	0.765	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	29.6	178.2	-60	-52.7	0	0	0	114.8	A194 Q195 S200	A194-N198 PolarHBondContact O-N 2.89Å; A194-N198 VanDerWaalsContact O-N 3.13Å; Q195-N198 PolarHBondContact O-N 3.4Å; Q195-N198 VanDerWaalsContact O-N 3.1Å; N198-S200 PolarHBondContact O-N 2.96Å
199	C	96.7	Very high	96.9	Very high	14 Å²	14	56 Å²	56	10%	0.095	30%	0.3	C	S	.	.			trans	-88.9	70.7	176.5	-65.4	0	0	0	0	110.1	A194 N197 E201 L202 S203	A194-C199 HydrophobicContact CB-CB 4.11Å; A194-C199 PolarHBondContact O-N 2.9Å; N197-C199 PolarHBondContact O-N 3.08Å; N197-C199 VanDerWaalsContact O-N 3.1Å; N197-C199 PolarHBondContact O-SG 3.36Å; N197-C199 VanDerWaalsContact O-SG 3.4Å; C199-E201 VanDerWaalsContact C-N 3.33Å; C199-E201 PolarHBondContact O-N 3.27Å; C199-L202 HydrophobicContact CB-CB 4.18Å; C199-L202 PolarHBondContact O-N 3.46Å; C199-S203 PolarHBondContact O-N 3.43Å
200	S	96.8	Very high	96.9	Very high	93 Å²	93	54.4 Å²	54.4	65%	0.65	28%	0.283	S	S	*	.	H	α-helix	trans	-57.2	-40	-170.4	-52	0	0	0	0	114.1	N198 S203 F204	N198-S200 PolarHBondContact O-N 2.96Å; S200-S203 PolarHBondContact O-N 2.85Å; S200-F204 WeakPolarHBondContact O-CB 3.45Å; S200-F204 PolarHBondContact O-N 2.85Å
201	E	97.4	Very high	96.8	Very high	139 Å²	139	54.2 Å²	54.2	65%	0.65	28%	0.282	S	S	*	.	H	α-helix	trans	-68.1	-39.4	-179.4	-159.8	-156.4	160.2	0	0	112.3	K179 C199 A205	K179-E201 IonicContact NZ-OE1 2.8Å; K179-E201 PolarHBondContact NZ-OE1 3.32Å; K179-E201 IonicContact NZ-OE2 3.36Å; K179-E201 PolarHBondContact NZ-OE2 2.83Å; C199-E201 VanDerWaalsContact C-N 3.33Å; C199-E201 PolarHBondContact O-N 3.27Å; E201-A205 WeakPolarHBondContact O-CB 3.47Å; E201-A205 PolarHBondContact O-N 3.16Å
202	L	98.3	Very high	96.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-67.6	-43.6	173.8	173.8	64	0	0	0	110.7	C175 L178 K179 I190 A194 C199 F204 A205 A206	C175-L202 HydrophobicContact CB-CB 4.4Å; L178-L202 HydrophobicContact CB-CD1 3.83Å; L178-L202 HydrophobicContact CB-CD2 3.91Å; L178-L202 HydrophobicContact CD1-CD2 3.61Å; L178-L202 HydrophobicContact CG-CD2 4.41Å; K179-L202 HydrophobicContact CB-CD1 4.48Å; K179-L202 HydrophobicContact CG-CD1 3.6Å; I190-L202 HydrophobicContact CG2-CD1 3.91Å; I190-L202 HydrophobicContact CG2-CD2 4.31Å; I190-L202 HydrophobicContact CG2-CG 4.18Å; A194-L202 HydrophobicContact CB-CB 4.02Å; A194-L202 HydrophobicContact CB-CD2 3.74Å; A194-L202 HydrophobicContact CB-CG 3.7Å; C199-L202 HydrophobicContact CB-CB 4.18Å; C199-L202 PolarHBondContact O-N 3.46Å; L202-F204 VanDerWaalsContact C-N 3.31Å; L202-F204 PolarHBondContact O-N 2.76Å; L202-A205 PolarHBondContact O-N 2.69Å; L202-A206 WeakPolarHBondContact O-CB 3.23Å; L202-A206 PolarHBondContact O-N 3.29Å
203	S	98.2	Very high	96.4	Very high	14 Å²	14	56.3 Å²	56.3	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-43.4	177	-179	0	0	0	0	111.7	Q195 C199 S200 A206 Q207	Q195-S203 WeakPolarHBondContact CG-OG 3.43Å; Q195-S203 PolarHBondContact NE2-OG 2.96Å; C199-S203 PolarHBondContact O-N 3.43Å; S200-S203 PolarHBondContact O-N 2.85Å; S203-A206 PolarHBondContact O-N 3.41Å; S203-Q207 WeakPolarHBondContact O-CB 3.43Å; S203-Q207 PolarHBondContact O-N 2.85Å
204	F	97.5	Very high	96.4	Very high	146 Å²	146	54.5 Å²	54.5	64%	0.64	29%	0.285	S	S	*	.	H	α-helix	trans	-65.1	-44.5	176.5	-179.2	-100.1	0	0	0	112.1	S200 L202 A206 Q207 K208	S200-F204 WeakPolarHBondContact O-CB 3.45Å; S200-F204 PolarHBondContact O-N 2.85Å; L202-F204 VanDerWaalsContact C-N 3.31Å; L202-F204 PolarHBondContact O-N 2.76Å; F204-A206 VanDerWaalsContact C-N 3.34Å; F204-A206 PolarHBondContact O-N 2.91Å; F204-Q207 PolarHBondContact O-N 3.24Å; F204-K208 PolarHBondContact O-N 3.49Å
205	A	98	Very high	96.2	Very high	26 Å²	26	55.3 Å²	55.3	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-43.8	175.8	0	0	0	0	0	111.9	K179 E201 L202 K208 F209	K179-A205 HydrophobicContact CD-CB 4.37Å; K179-A205 HydrophobicContact CG-CB 4.17Å; E201-A205 WeakPolarHBondContact O-CB 3.47Å; E201-A205 PolarHBondContact O-N 3.16Å; L202-A205 PolarHBondContact O-N 2.69Å; A205-K208 PolarHBondContact O-N 3.48Å; A205-F209 WeakPolarHBondContact O-CB 3.44Å; A205-F209 PolarHBondContact O-N 2.91Å
206	A	98.3	Very high	96.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-42.5	175.3	0	0	0	0	0	111.8	L182 I190 Q191 L202 S203 F204 K208 F209 I210	L182-A206 HydrophobicContact CD2-CB 3.82Å; I190-A206 HydrophobicContact CG2-CB 4.26Å; Q191-A206 HydrophobicContact CB-CB 3.74Å; Q191-A206 HydrophobicContact CG-CB 4.27Å; L202-A206 WeakPolarHBondContact O-CB 3.23Å; L202-A206 PolarHBondContact O-N 3.29Å; S203-A206 PolarHBondContact O-N 3.41Å; F204-A206 VanDerWaalsContact C-N 3.34Å; F204-A206 PolarHBondContact O-N 2.91Å; A206-K208 PolarHBondContact O-N 3.25Å; A206-F209 WeakPolarHBondContact O-CB 3.45Å; A206-F209 PolarHBondContact O-N 3.09Å; A206-I210 WeakPolarHBondContact O-CD1 3.49Å; A206-I210 VanDerWaalsContact O-CG1 3.23Å; A206-I210 WeakPolarHBondContact O-CG1 3.45Å; A206-I210 PolarHBondContact O-N 3.24Å
207	Q	97.3	Very high	96.3	Very high	29 Å²	29	50.6 Å²	50.6	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-48.5	175.4	-178.2	59.8	86.9	0	0	111.8	Q191 S203 F204 F209 I210 D211 R237	Q191-Q207 VanDerWaalsContact NE2-CD 3.29Å; S203-Q207 WeakPolarHBondContact O-CB 3.43Å; S203-Q207 PolarHBondContact O-N 2.85Å; F204-Q207 PolarHBondContact O-N 3.24Å; Q207-F209 VanDerWaalsContact C-N 3.29Å; Q207-F209 PolarHBondContact O-N 3.49Å; Q207-I210 WeakPolarHBondContact O-CB 3.28Å; Q207-I210 PolarHBondContact O-N 2.94Å; Q207-I210 VanDerWaalsContact O-N 3.09Å; Q207-D211 PolarHBondContact NE2-OD1 3.4Å; Q207-D211 PolarHBondContact O-N 2.96Å; Q207-R237 VanDerWaalsContact CD-NE 3.27Å
208	K	95.5	Very high	96.4	Very high	116 Å²	116	49.9 Å²	49.9	50%	0.504	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-41.9	178.1	-176.8	180	177.1	-177.7	0	111.2	F204 A205 A206 I210 D211 Q212	F204-K208 PolarHBondContact O-N 3.49Å; A205-K208 PolarHBondContact O-N 3.48Å; A206-K208 PolarHBondContact O-N 3.25Å; K208-I210 VanDerWaalsContact C-N 3.32Å; K208-I210 PolarHBondContact O-N 3.06Å; K208-D211 PolarHBondContact O-N 3.01Å; K208-Q212 WeakPolarHBondContact O-CB 3.16Å; K208-Q212 VanDerWaalsContact O-CG 3.28Å; K208-Q212 WeakPolarHBondContact O-CG 3.48Å; K208-Q212 PolarHBondContact O-N 2.99Å
209	F	96.7	Very high	96.5	Very high	41 Å²	41	48.6 Å²	48.6	18%	0.18	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-41.9	174.6	-174.8	-83.2	0	0	0	111.6	L182 P184 A187 A205 A206 Q207 Q212 N213	L182-F209 HydrophobicContact CB-CD1 4.4Å; L182-F209 HydrophobicContact CB-CD2 3.89Å; L182-F209 HydrophobicContact CB-CE2 4.08Å; L182-F209 HydrophobicContact CB-CG 4.06Å; L182-F209 HydrophobicContact CB-CZ 4.43Å; L182-F209 HydrophobicContact CD1-CB 4.08Å; L182-F209 HydrophobicContact CD1-CD2 4.44Å; L182-F209 HydrophobicContact CD1-CG 4.36Å; P184-F209 HydrophobicContact CG-CE1 4.29Å; P184-F209 HydrophobicContact CG-CZ 4.34Å; A187-F209 HydrophobicContact CB-CD1 3.6Å; A187-F209 HydrophobicContact CB-CE1 3.99Å; A205-F209 WeakPolarHBondContact O-CB 3.44Å; A205-F209 PolarHBondContact O-N 2.91Å; A206-F209 WeakPolarHBondContact O-CB 3.45Å; A206-F209 PolarHBondContact O-N 3.09Å; Q207-F209 VanDerWaalsContact C-N 3.29Å; Q207-F209 PolarHBondContact O-N 3.49Å; F209-Q212 PolarHBondContact O-N 3.28Å; F209-N213 HydrophobicContact CE1-CB 4.24Å; F209-N213 WeakPolarHBondContact O-CB 3.39Å; F209-N213 PolarHBondContact O-N 3.48Å; F209-N213 PolarHBondContact O-ND2 2.5Å
210	I	97.5	Very high	96.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-47.5	177.5	-69.6	160.7	0	0	0	111.3	A187 I188 Q191 A206 Q207 K208 Q212 N213 F214 I217 L234	A187-I210 HydrophobicContact CB-CD1 4.4Å; A187-I210 HydrophobicContact CB-CG1 3.76Å; I188-I210 HydrophobicContact CG1-CD1 4.15Å; I188-I210 HydrophobicContact CG1-CG1 4.42Å; Q191-I210 HydrophobicContact CB-CD1 3.94Å; Q191-I210 HydrophobicContact CG-CD1 4.39Å; A206-I210 WeakPolarHBondContact O-CD1 3.49Å; A206-I210 VanDerWaalsContact O-CG1 3.23Å; A206-I210 WeakPolarHBondContact O-CG1 3.45Å; A206-I210 PolarHBondContact O-N 3.24Å; Q207-I210 WeakPolarHBondContact O-CB 3.28Å; Q207-I210 PolarHBondContact O-N 2.94Å; Q207-I210 VanDerWaalsContact O-N 3.09Å; K208-I210 VanDerWaalsContact C-N 3.32Å; K208-I210 PolarHBondContact O-N 3.06Å; I210-Q212 VanDerWaalsContact C-N 3.34Å; I210-Q212 PolarHBondContact O-N 2.91Å; I210-N213 PolarHBondContact O-N 3.06Å; I210-F214 WeakPolarHBondContact O-CA 3.14Å; I210-F214 PolarHBondContact O-N 3.43Å; I210-I217 HydrophobicContact CB-CD1 3.98Å; I210-I217 HydrophobicContact CG1-CD1 3.96Å; I210-I217 HydrophobicContact CG2-CD1 4.04Å; I210-L234 HydrophobicContact CG2-CD1 3.58Å
211	D	95.1	Very high	96.5	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-45.8	179.9	-64.8	-24.6	0	0	0	111.4	Q207 K208 N213 R237 E239 N241	Q207-D211 PolarHBondContact NE2-OD1 3.4Å; Q207-D211 PolarHBondContact O-N 2.96Å; K208-D211 PolarHBondContact O-N 3.01Å; D211-N213 VanDerWaalsContact C-N 3.35Å; D211-N213 PolarHBondContact O-N 2.84Å; D211-R237 IonicContact OD1-CZ 2.69Å; D211-R237 IonicContact OD1-NE 3.9Å; D211-R237 PolarHBondContact OD1-NE 3.32Å; D211-R237 IonicContact OD1-NH2 2.83Å; D211-R237 IonicContact OD2-CZ 2.88Å; D211-R237 IonicContact OD2-NE 3.75Å; D211-R237 PolarHBondContact OD2-NE 2.81Å; D211-R237 IonicContact OD2-NH2 3.29Å; D211-R237 PolarHBondContact OD2-NH2 3.5Å; D211-E239 HydrophobicContact CB-CB 4.1Å; D211-N241 VanDerWaalsContact O-CB 3.26Å; D211-N241 WeakPolarHBondContact O-CB 3.4Å; D211-N241 PolarHBondContact O-N 3.44Å
212	Q	91.8	Very high	96.4	Very high	97 Å²	97	49.4 Å²	49.4	45%	0.453	24%	0.242	S	C	.	.	H	α-helix	trans	-69.4	-30	-177.3	-72.6	-179.8	-17.6	0	0	113.8	K208 F209 I210 N241	K208-Q212 WeakPolarHBondContact O-CB 3.16Å; K208-Q212 VanDerWaalsContact O-CG 3.28Å; K208-Q212 WeakPolarHBondContact O-CG 3.48Å; K208-Q212 PolarHBondContact O-N 2.99Å; F209-Q212 PolarHBondContact O-N 3.28Å; I210-Q212 VanDerWaalsContact C-N 3.34Å; I210-Q212 PolarHBondContact O-N 2.91Å; Q212-N241 PolarHBondContact O-ND2 2.98Å
213	N	94	Very high	96.4	Very high	53 Å²	53	49.4 Å²	49.4	28%	0.283	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	19	-172.9	-61.4	-80.3	0	0	0	113.3	F209 I210 D211 G215 E216 I217	F209-N213 HydrophobicContact CE1-CB 4.24Å; F209-N213 WeakPolarHBondContact O-CB 3.39Å; F209-N213 PolarHBondContact O-N 3.48Å; F209-N213 PolarHBondContact O-ND2 2.5Å; I210-N213 PolarHBondContact O-N 3.06Å; D211-N213 VanDerWaalsContact C-N 3.35Å; D211-N213 PolarHBondContact O-N 2.84Å; N213-G215 VanDerWaalsContact C-N 3.26Å; N213-G215 PolarHBondContact O-N 3.19Å; N213-G215 VanDerWaalsContact O-N 3.14Å; N213-E216 PolarHBondContact O-N 2.82Å; N213-I217 HydrophobicContact CB-CD1 4.13Å; N213-I217 HydrophobicContact CB-CG1 4.47Å; N213-I217 WeakPolarHBondContact O-CG1 3.5Å; N213-I217 PolarHBondContact O-N 2.85Å
214	F	95.9	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-49.3	-44.8	-174.7	-178.4	-95.8	0	0	0	113.1	I210 E216 I217 V218 L234 L240 V242 V248 A251	I210-F214 WeakPolarHBondContact O-CA 3.14Å; I210-F214 PolarHBondContact O-N 3.43Å; F214-E216 VanDerWaalsContact C-N 3.26Å; F214-E216 PolarHBondContact O-N 3.42Å; F214-I217 PolarHBondContact O-N 3.42Å; F214-I217 VanDerWaalsContact O-N 3.16Å; F214-V218 HydrophobicContact CD1-CG1 3.94Å; F214-V218 HydrophobicContact CD2-CG1 4.1Å; F214-V218 HydrophobicContact CE1-CG1 3.54Å; F214-V218 HydrophobicContact CE2-CG1 3.7Å; F214-V218 HydrophobicContact CG-CG1 4.23Å; F214-V218 HydrophobicContact CZ-CG1 3.41Å; F214-V218 VanDerWaalsContact CZ-CG1 3.41Å; F214-V218 WeakPolarHBondContact O-CG1 3.42Å; F214-V218 WeakPolarHBondContact O-CG2 3.44Å; F214-V218 PolarHBondContact O-N 2.74Å; F214-L234 HydrophobicContact CD2-CD1 4.39Å; F214-L234 HydrophobicContact CD2-CD2 4.46Å; F214-L234 HydrophobicContact CD2-CG 4.43Å; F214-L234 HydrophobicContact CE2-CD1 4.43Å; F214-L234 HydrophobicContact CE2-CD2 3.95Å; F214-L234 HydrophobicContact CE2-CG 3.99Å; F214-L240 HydrophobicContact CB-CD2 4.32Å; F214-L240 HydrophobicContact CD1-CD1 4.48Å; F214-L240 HydrophobicContact CD2-CD1 3.87Å; F214-L240 HydrophobicContact CD2-CD2 3.76Å; F214-L240 HydrophobicContact CD2-CG 4.38Å; F214-L240 HydrophobicContact CE1-CD1 4.39Å; F214-L240 HydrophobicContact CE2-CD1 3.78Å; F214-L240 HydrophobicContact CE2-CD2 4.37Å; F214-L240 HydrophobicContact CG-CD1 4.22Å; F214-L240 HydrophobicContact CG-CD2 4.17Å; F214-L240 HydrophobicContact CZ-CD1 4.04Å; F214-V242 HydrophobicContact CD1-CG1 3.47Å; F214-V242 VanDerWaalsContact CD1-CG1 3.47Å; F214-V242 HydrophobicContact CE1-CG1 4.05Å; F214-V242 HydrophobicContact CG-CG1 4.36Å; F214-V248 HydrophobicContact CE1-CB 4.39Å; F214-V248 HydrophobicContact CE1-CG2 3.89Å; F214-V248 HydrophobicContact CZ-CG1 4.37Å; F214-V248 HydrophobicContact CZ-CG2 4.4Å; F214-A251 HydrophobicContact CE1-CB 4.27Å; F214-A251 HydrophobicContact CZ-CB 4.06Å
215	G	93.8	Very high	96.3	Very high	17 Å²	17	44.7 Å²	44.7	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-28.8	179.9	0	0	0	0	0	114.9	N213 V218 K219	N213-G215 VanDerWaalsContact C-N 3.26Å; N213-G215 PolarHBondContact O-N 3.19Å; N213-G215 VanDerWaalsContact O-N 3.14Å; G215-V218 WeakPolarHBondContact O-CG2 3.34Å; G215-K219 WeakPolarHBondContact O-CE 3.3Å
216	E	96.1	Very high	96.2	Very high	93 Å²	93	43.9 Å²	43.9	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-86.1	-39.8	172.8	-65.8	-52.7	126.8	0	0	111.7	P184 N213 F214 V218 K219 H220	P184-E216 HydrophobicContact CB-CB 3.93Å; P184-E216 HydrophobicContact CG-CB 3.98Å; N213-E216 PolarHBondContact O-N 2.82Å; F214-E216 VanDerWaalsContact C-N 3.26Å; F214-E216 PolarHBondContact O-N 3.42Å; E216-V218 VanDerWaalsContact C-N 3.29Å; E216-V218 PolarHBondContact O-N 3.19Å; E216-K219 VanDerWaalsContact O-CB 3.29Å; E216-K219 WeakPolarHBondContact O-CB 3.34Å; E216-K219 PolarHBondContact O-N 3.33Å; E216-K219 IonicContact OE1-NZ 3.73Å; E216-K219 PolarHBondContact OE1-NZ 3.42Å; E216-K219 IonicContact OE2-NZ 2.96Å; E216-K219 PolarHBondContact OE2-NZ 2.98Å; E216-H220 PolarHBondContact O-CD2 2.7Å
217	I	97.9	Very high	96.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-41.4	-179.4	-72.3	166.6	0	0	0	111.9	P184 I188 I210 N213 F214 K219 H220	P184-I217 HydrophobicContact CB-CG1 3.87Å; P184-I217 WeakPolarHBondContact O-CG1 3.43Å; I188-I217 HydrophobicContact CD1-CG2 3.57Å; I188-I217 HydrophobicContact CG1-CG2 4.08Å; I210-I217 HydrophobicContact CB-CD1 3.98Å; I210-I217 HydrophobicContact CG1-CD1 3.96Å; I210-I217 HydrophobicContact CG2-CD1 4.04Å; N213-I217 HydrophobicContact CB-CD1 4.13Å; N213-I217 HydrophobicContact CB-CG1 4.47Å; N213-I217 WeakPolarHBondContact O-CG1 3.5Å; N213-I217 PolarHBondContact O-N 2.85Å; F214-I217 PolarHBondContact O-N 3.42Å; F214-I217 VanDerWaalsContact O-N 3.16Å; I217-K219 PolarHBondContact O-N 2.87Å; I217-H220 PolarHBondContact O-N 2.94Å
218	V	97.5	Very high	96.1	Very high	17 Å²	17	50.7 Å²	50.7	10%	0.103	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-2.3	179.4	-61.6	0	0	0	0	113.8	F214 G215 E216 F223 A251 R254	F214-V218 HydrophobicContact CD1-CG1 3.94Å; F214-V218 HydrophobicContact CD2-CG1 4.1Å; F214-V218 HydrophobicContact CE1-CG1 3.54Å; F214-V218 HydrophobicContact CE2-CG1 3.7Å; F214-V218 HydrophobicContact CG-CG1 4.23Å; F214-V218 HydrophobicContact CZ-CG1 3.41Å; F214-V218 VanDerWaalsContact CZ-CG1 3.41Å; F214-V218 WeakPolarHBondContact O-CG1 3.42Å; F214-V218 WeakPolarHBondContact O-CG2 3.44Å; F214-V218 PolarHBondContact O-N 2.74Å; G215-V218 WeakPolarHBondContact O-CG2 3.34Å; E216-V218 VanDerWaalsContact C-N 3.29Å; E216-V218 PolarHBondContact O-N 3.19Å; V218-F223 HydrophobicContact CB-CD1 4.37Å; V218-F223 HydrophobicContact CB-CE1 4.45Å; V218-F223 HydrophobicContact CG1-CD2 4.1Å; V218-F223 HydrophobicContact CG1-CE1 4.38Å; V218-F223 HydrophobicContact CG1-CE2 3.96Å; V218-F223 HydrophobicContact CG1-CG 4.38Å; V218-F223 HydrophobicContact CG1-CZ 4.12Å; V218-A251 HydrophobicContact CB-CB 3.91Å; V218-A251 HydrophobicContact CG1-CB 3.56Å; V218-A251 HydrophobicContact CG2-CB 4.45Å; V218-R254 WeakPolarHBondContact O-CD 3.39Å; V218-R254 PolarHBondContact O-NH1 3.26Å
219	K	97.2	Very high	96.1	Very high	116 Å²	116	51 Å²	51	50%	0.504	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-19.2	173.1	-55.7	177.7	-171	167.1	0	112.8	G215 E216 I217 R254	G215-K219 WeakPolarHBondContact O-CE 3.3Å; E216-K219 VanDerWaalsContact O-CB 3.29Å; E216-K219 WeakPolarHBondContact O-CB 3.34Å; E216-K219 PolarHBondContact O-N 3.33Å; E216-K219 IonicContact OE1-NZ 3.73Å; E216-K219 PolarHBondContact OE1-NZ 3.42Å; E216-K219 IonicContact OE2-NZ 2.96Å; E216-K219 PolarHBondContact OE2-NZ 2.98Å; I217-K219 PolarHBondContact O-N 2.87Å; K219-R254 VanDerWaalsContact C-NH1 3.35Å; K219-R254 PolarHBondContact O-NH1 3.08Å; K219-R254 PolarHBondContact O-NH2 3.35Å
220	H	97.3	Very high	96.1	Very high	59 Å²	59	51.9 Å²	51.9	27%	0.273	27%	0.274	S	S	.	.	S	Bend	trans	-88.9	169	-177.9	-66.7	-77.5	0	0	0	112.7	S185 E216 I217 R254	S185-H220 WeakPolarHBondContact CB-ND1 3.44Å; E216-H220 PolarHBondContact O-CD2 2.7Å; I217-H220 PolarHBondContact O-N 2.94Å; H220-R254 PolarHBondContact O-NH1 3.23Å
221	D	95	Very high	96.1	Very high	113 Å²	113	51.9 Å²	51.9	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-82.7	-27.3	-173	-72.7	-21	0	0	0	112.4	F223 L224 G225	D221-F223 PolarHBondContact O-N 3.45Å; D221-L224 CarbonylContact O-C 3.51Å; D221-L224 WeakPolarHBondContact O-CA 3.34Å; D221-L224 VanDerWaalsContact O-CB 3.31Å; D221-L224 WeakPolarHBondContact O-CB 3.32Å; D221-L224 PolarHBondContact O-N 2.91Å; D221-G225 PolarHBondContact O-N 3.48Å
222	E	95.4	Very high	96.3	Very high	91 Å²	91	51.8 Å²	51.8	43%	0.425	27%	0.273	S	S	.	.	H	α-helix	trans	-57.8	-35.8	175.6	-76	69.4	-164.5	0	0	111	S185 G225	S185-E222 WeakPolarHBondContact O-CG 3.16Å; S185-E222 VanDerWaalsContact O-OE2 3.05Å; E222-G225 PolarHBondContact O-N 3.15Å
223	F	98.1	Very high	96.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-40.3	170.9	175.4	-99.2	0	0	0	112.2	I188 V218 D221 G225 L226 L231 L234 A251 W255	I188-F223 HydrophobicContact CD1-CB 4.06Å; I188-F223 HydrophobicContact CD1-CD2 4.39Å; V218-F223 HydrophobicContact CB-CD1 4.37Å; V218-F223 HydrophobicContact CB-CE1 4.45Å; V218-F223 HydrophobicContact CG1-CD2 4.1Å; V218-F223 HydrophobicContact CG1-CE1 4.38Å; V218-F223 HydrophobicContact CG1-CE2 3.96Å; V218-F223 HydrophobicContact CG1-CG 4.38Å; V218-F223 HydrophobicContact CG1-CZ 4.12Å; D221-F223 PolarHBondContact O-N 3.45Å; F223-G225 PolarHBondContact O-N 2.93Å; F223-L226 HydrophobicContact CD2-CD1 3.72Å; F223-L226 HydrophobicContact CE2-CD1 4.02Å; F223-L226 WeakPolarHBondContact O-CB 3.49Å; F223-L226 VanDerWaalsContact O-CG 3.31Å; F223-L226 WeakPolarHBondContact O-CG 3.28Å; F223-L226 PolarHBondContact O-N 3.42Å; F223-L231 HydrophobicContact CE2-CD1 3.81Å; F223-L231 HydrophobicContact CZ-CD1 3.66Å; F223-L234 HydrophobicContact CD2-CD2 4.12Å; F223-L234 HydrophobicContact CE2-CD2 3.99Å; F223-A251 HydrophobicContact CE1-CB 4.08Å; F223-A251 WeakPolarHBondContact CE1-O 3.43Å; F223-A251 HydrophobicContact CZ-CB 3.75Å; F223-W255 HydrophobicContact CE1-CB 3.86Å; F223-W255 HydrophobicContact CZ-CB 4.26Å; F223-W255 VanDerWaalsContact O-CD1 3.31Å
224	L	97.2	Very high	96.7	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-24.5	177.1	-58	-179.6	0	0	0	112.3	D221 L226 R254 H258 R263	D221-L224 CarbonylContact O-C 3.51Å; D221-L224 WeakPolarHBondContact O-CA 3.34Å; D221-L224 VanDerWaalsContact O-CB 3.31Å; D221-L224 WeakPolarHBondContact O-CB 3.32Å; D221-L224 PolarHBondContact O-N 2.91Å; L224-L226 VanDerWaalsContact C-N 3.32Å; L224-R254 HydrophobicContact CD2-CG 4Å; L224-H258 HydrophobicContact CB-CB 4.46Å; L224-H258 HydrophobicContact CD1-CB 4.38Å; L224-H258 HydrophobicContact CD2-CB 4.11Å; L224-R263 VanDerWaalsContact O-CZ 3.27Å; L224-R263 PolarHBondContact O-NH1 3.01Å; L224-R263 PolarHBondContact O-NH2 3.23Å
225	G	96	Very high	96.8	Very high	51 Å²	51	49.8 Å²	49.8	53%	0.526	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16	175.1	0	0	0	0	0	115.1	D221 E222 F223	D221-G225 PolarHBondContact O-N 3.48Å; E222-G225 PolarHBondContact O-N 3.15Å; F223-G225 PolarHBondContact O-N 2.93Å
226	L	97.4	Very high	96.9	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.047	28%	0.284	C	S	.	.			trans	-56.5	138.7	-177.2	-68.3	178.7	0	0	0	113.1	I188 F223 L224 Q230 L234 W255 R263	I188-L226 HydrophobicContact CD1-CD1 4.29Å; I188-L226 HydrophobicContact CD1-CD2 4.46Å; I188-L226 HydrophobicContact CD1-CG 4.5Å; I188-L226 HydrophobicContact CG2-CD2 3.53Å; F223-L226 HydrophobicContact CD2-CD1 3.72Å; F223-L226 HydrophobicContact CE2-CD1 4.02Å; F223-L226 WeakPolarHBondContact O-CB 3.49Å; F223-L226 VanDerWaalsContact O-CG 3.31Å; F223-L226 WeakPolarHBondContact O-CG 3.28Å; F223-L226 PolarHBondContact O-N 3.42Å; L224-L226 VanDerWaalsContact C-N 3.32Å; L226-Q230 HydrophobicContact CB-CB 4.33Å; L226-Q230 HydrophobicContact CD2-CB 3.91Å; L226-L234 HydrophobicContact CD1-CD2 3.86Å; L226-W255 VanDerWaalsContact O-CZ2 3.28Å; L226-W255 WeakPolarHBondContact O-CZ2 3.38Å; L226-W255 PolarHBondContact O-NE1 3.35Å; L226-R263 PolarHBondContact O-NH2 3.21Å
227	H	95.6	Very high	96.8	Very high	125 Å²	125	52.7 Å²	52.7	58%	0.579	27%	0.274	S	S	*	.			trans	-72.7	156.4	167	-64.7	-63.8	0	0	0	111.4	N229 Q230 L231	H227-N229 VanDerWaalsContact C-N 3.31Å; H227-N229 PolarHBondContact O-N 3.33Å; H227-Q230 HydrophobicContact CB-CG 4.38Å; H227-Q230 PolarHBondContact CD2-OE1 3.49Å; H227-Q230 WeakPolarHBondContact O-CB 3.39Å; H227-Q230 PolarHBondContact O-N 3.37Å; H227-L231 PolarHBondContact O-N 2.96Å
228	P	96.9	Very high	96.6	Very high	48 Å²	48	55.7 Å²	55.7	31%	0.312	29%	0.29	S	S	.	.	H	α-helix	trans	-48.9	-47.1	-178.6	-29.3	33.8	0	0	0	114.3	Q230 L231 L232 W255 T266	P228-Q230 VanDerWaalsContact C-N 3.34Å; P228-Q230 PolarHBondContact O-N 3Å; P228-L231 PolarHBondContact O-N 2.98Å; P228-L232 VanDerWaalsContact O-CG 3.3Å; P228-L232 WeakPolarHBondContact O-CG 3.42Å; P228-L232 PolarHBondContact O-N 2.91Å; P228-W255 HydrophobicContact CB-CH2 4.28Å; P228-W255 HydrophobicContact CG-CH2 4.02Å; P228-W255 HydrophobicContact CG-CZ2 4.39Å; P228-T266 HydrophobicContact CB-CG2 4.01Å
229	N	96.3	Very high	96.4	Very high	123 Å²	123	58.2 Å²	58.2	66%	0.658	30%	0.301	S	S	*	.	H	α-helix	trans	-65.9	-35.4	-180	-68.4	-16.2	0	0	0	112.7	H227 T233	H227-N229 VanDerWaalsContact C-N 3.31Å; H227-N229 PolarHBondContact O-N 3.33Å; N229-T233 WeakPolarHBondContact O-CB 3.33Å; N229-T233 PolarHBondContact O-N 3.31Å; N229-T233 PolarHBondContact O-OG1 2.98Å
230	Q	96.6	Very high	96.2	Very high	58 Å²	58	52.7 Å²	52.7	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-43.5	177.1	-65.3	171	-45	0	0	110.6	E192 L226 H227 P228 L232 T233 L234	E192-Q230 PolarHBondContact OE1-NE2 3.18Å; L226-Q230 HydrophobicContact CB-CB 4.33Å; L226-Q230 HydrophobicContact CD2-CB 3.91Å; H227-Q230 HydrophobicContact CB-CG 4.38Å; H227-Q230 PolarHBondContact CD2-OE1 3.49Å; H227-Q230 WeakPolarHBondContact O-CB 3.39Å; H227-Q230 PolarHBondContact O-N 3.37Å; P228-Q230 VanDerWaalsContact C-N 3.34Å; P228-Q230 PolarHBondContact O-N 3Å; Q230-L232 PolarHBondContact O-N 3.01Å; Q230-T233 PolarHBondContact O-N 3.26Å; Q230-L234 WeakPolarHBondContact O-CB 3.49Å; Q230-L234 PolarHBondContact O-N 2.69Å
231	L	97.9	Very high	95.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-50.8	174	177.4	74.8	0	0	0	111	F223 H227 P228 T233 L234 I235 W255	F223-L231 HydrophobicContact CE2-CD1 3.81Å; F223-L231 HydrophobicContact CZ-CD1 3.66Å; H227-L231 PolarHBondContact O-N 2.96Å; P228-L231 PolarHBondContact O-N 2.98Å; L231-T233 VanDerWaalsContact C-N 3.31Å; L231-T233 PolarHBondContact O-N 3.4Å; L231-L234 WeakPolarHBondContact O-CB 3.31Å; L231-L234 PolarHBondContact O-N 3.44Å; L231-L234 VanDerWaalsContact O-N 3.15Å; L231-I235 HydrophobicContact CD1-CG2 4Å; L231-I235 HydrophobicContact CG-CG2 4.39Å; L231-I235 WeakPolarHBondContact O-CG1 3.31Å; L231-I235 PolarHBondContact O-N 3.39Å; L231-W255 HydrophobicContact CD1-CG 4.28Å; L231-W255 HydrophobicContact CD2-CD2 3.59Å; L231-W255 HydrophobicContact CD2-CE3 3.43Å; L231-W255 VanDerWaalsContact CD2-CE3 3.43Å; L231-W255 HydrophobicContact CD2-CG 4.1Å; L231-W255 HydrophobicContact CD2-CH2 4.18Å; L231-W255 HydrophobicContact CD2-CZ2 4.31Å; L231-W255 HydrophobicContact CD2-CZ3 3.74Å; L231-W255 HydrophobicContact CG-CD2 4.5Å
232	L	98.1	Very high	95.7	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-42	-179.3	-69.6	171.7	0	0	0	111.6	P228 Q230 L234 I235 K236 E269 A270 A273	P228-L232 VanDerWaalsContact O-CG 3.3Å; P228-L232 WeakPolarHBondContact O-CG 3.42Å; P228-L232 PolarHBondContact O-N 2.91Å; Q230-L232 PolarHBondContact O-N 3.01Å; L232-L234 VanDerWaalsContact C-N 3.31Å; L232-L234 PolarHBondContact O-N 3.23Å; L232-I235 HydrophobicContact CD2-CD1 4.38Å; L232-K236 WeakPolarHBondContact O-CB 3.26Å; L232-K236 WeakPolarHBondContact O-CD 3.43Å; L232-K236 WeakPolarHBondContact O-CG 3.33Å; L232-K236 PolarHBondContact O-N 3.01Å; L232-E269 HydrophobicContact CD1-CG 3.97Å; L232-E269 WeakPolarHBondContact CD1-OE1 3.45Å; L232-E269 HydrophobicContact CD2-CG 4Å; L232-A270 HydrophobicContact CD2-CB 4.2Å; L232-A273 HydrophobicContact CD2-CB 4.32Å
233	T	96.9	Very high	95.4	Very high	94 Å²	94	47 Å²	47	58%	0.577	24%	0.244	S	C	*	.	H	α-helix	trans	-60.8	-43.3	175.7	-58.8	0	0	0	0	110.9	N229 Q230 L231 R237	N229-T233 WeakPolarHBondContact O-CB 3.33Å; N229-T233 PolarHBondContact O-N 3.31Å; N229-T233 PolarHBondContact O-OG1 2.98Å; Q230-T233 PolarHBondContact O-N 3.26Å; L231-T233 VanDerWaalsContact C-N 3.31Å; L231-T233 PolarHBondContact O-N 3.4Å; T233-R237 WeakPolarHBondContact O-CG 3.49Å
234	L	97.4	Very high	95.1	Very high	14 Å²	14	48.4 Å²	48.4	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-52.5	179.7	178	60.9	0	0	0	112.5	I210 F214 F223 L226 Q230 L231 L232 K236 R237 L240	I210-L234 HydrophobicContact CG2-CD1 3.58Å; F214-L234 HydrophobicContact CD2-CD1 4.39Å; F214-L234 HydrophobicContact CD2-CD2 4.46Å; F214-L234 HydrophobicContact CD2-CG 4.43Å; F214-L234 HydrophobicContact CE2-CD1 4.43Å; F214-L234 HydrophobicContact CE2-CD2 3.95Å; F214-L234 HydrophobicContact CE2-CG 3.99Å; F223-L234 HydrophobicContact CD2-CD2 4.12Å; F223-L234 HydrophobicContact CE2-CD2 3.99Å; L226-L234 HydrophobicContact CD1-CD2 3.86Å; Q230-L234 WeakPolarHBondContact O-CB 3.49Å; Q230-L234 PolarHBondContact O-N 2.69Å; L231-L234 WeakPolarHBondContact O-CB 3.31Å; L231-L234 PolarHBondContact O-N 3.44Å; L231-L234 VanDerWaalsContact O-N 3.15Å; L232-L234 VanDerWaalsContact C-N 3.31Å; L232-L234 PolarHBondContact O-N 3.23Å; L234-K236 VanDerWaalsContact C-N 3.3Å; L234-K236 PolarHBondContact O-N 3.29Å; L234-R237 WeakPolarHBondContact O-CB 3.43Å; L234-R237 WeakPolarHBondContact O-CG 3.36Å; L234-R237 PolarHBondContact O-N 2.83Å; L234-L240 HydrophobicContact CD1-CD2 4.01Å; L234-L240 WeakPolarHBondContact O-CD1 3.25Å
235	I	97.2	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72.2	-22.3	-173.2	68.2	-179.7	0	0	0	113.6	L231 L232 R237 V248 V252 A270 A273 V274 R322	L231-I235 HydrophobicContact CD1-CG2 4Å; L231-I235 HydrophobicContact CG-CG2 4.39Å; L231-I235 WeakPolarHBondContact O-CG1 3.31Å; L231-I235 PolarHBondContact O-N 3.39Å; L232-I235 HydrophobicContact CD2-CD1 4.38Å; I235-R237 VanDerWaalsContact C-N 3.25Å; I235-R237 PolarHBondContact O-N 3.23Å; I235-V248 HydrophobicContact CB-CG1 3.82Å; I235-V248 HydrophobicContact CG2-CG1 3.84Å; I235-V252 HydrophobicContact CD1-CG2 3.75Å; I235-V252 HydrophobicContact CG2-CG2 4.24Å; I235-A270 HydrophobicContact CD1-CB 4.21Å; I235-A273 HydrophobicContact CD1-CB 3.88Å; I235-A273 HydrophobicContact CG1-CB 3.98Å; I235-V274 HydrophobicContact CD1-CG2 4.33Å; I235-R322 PolarHBondContact O-NH1 2.83Å; I235-R322 PolarHBondContact O-NH2 2.84Å
236	K	96.5	Very high	95	Very high	111 Å²	111	46.8 Å²	46.8	48%	0.483	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.9	175	-76.9	175.7	-178.6	176.2	0	113	L232 L234 D238 A273	L232-K236 WeakPolarHBondContact O-CB 3.26Å; L232-K236 WeakPolarHBondContact O-CD 3.43Å; L232-K236 WeakPolarHBondContact O-CG 3.33Å; L232-K236 PolarHBondContact O-N 3.01Å; L234-K236 VanDerWaalsContact C-N 3.3Å; L234-K236 PolarHBondContact O-N 3.29Å; K236-D238 PolarHBondContact O-N 2.93Å; K236-A273 HydrophobicContact CD-CB 4.44Å; K236-A273 HydrophobicContact CG-CB 3.74Å
237	R	95.2	Very high	94.9	Very high	60 Å²	60	49 Å²	49	23%	0.226	24%	0.243	C	C	.	.			trans	-63.5	130	-173.3	-62.6	-179.4	57.9	60.4	14.8	112.9	Q207 D211 T233 L234 I235 E239 L240 R322	Q207-R237 VanDerWaalsContact CD-NE 3.27Å; D211-R237 IonicContact OD1-CZ 2.69Å; D211-R237 IonicContact OD1-NE 3.9Å; D211-R237 PolarHBondContact OD1-NE 3.32Å; D211-R237 IonicContact OD1-NH2 2.83Å; D211-R237 IonicContact OD2-CZ 2.88Å; D211-R237 IonicContact OD2-NE 3.75Å; D211-R237 PolarHBondContact OD2-NE 2.81Å; D211-R237 IonicContact OD2-NH2 3.29Å; D211-R237 PolarHBondContact OD2-NH2 3.5Å; T233-R237 WeakPolarHBondContact O-CG 3.49Å; L234-R237 WeakPolarHBondContact O-CB 3.43Å; L234-R237 WeakPolarHBondContact O-CG 3.36Å; L234-R237 PolarHBondContact O-N 2.83Å; I235-R237 VanDerWaalsContact C-N 3.25Å; I235-R237 PolarHBondContact O-N 3.23Å; R237-E239 IonicContact CZ-OE2 3.74Å; R237-E239 VanDerWaalsContact CZ-OE2 3.29Å; R237-E239 IonicContact NE-OE2 2.82Å; R237-E239 IonicContact NH1-OE2 2.63Å; R237-E239 IonicContact NH2-OE2 3.3Å; R237-E239 PolarHBondContact NH2-OE2 3.38Å; R237-E239 PolarHBondContact O-N 3.01Å; R237-L240 HydrophobicContact CB-CD2 4.27Å; R237-L240 HydrophobicContact CB-CG 4.12Å; R237-R322 PolarHBondContact O-NH1 3.47Å
238	D	92.7	Very high	95.1	Very high	64 Å²	64	43.1 Å²	43.1	34%	0.342	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24.9	176.8	-76.6	47.3	0	0	0	112.1	K236 L240 R275 T323 A324	K236-D238 PolarHBondContact O-N 2.93Å; D238-L240 VanDerWaalsContact C-N 3.31Å; D238-L240 PolarHBondContact O-N 3.1Å; D238-R275 IonicContact OD1-CZ 3.84Å; D238-R275 IonicContact OD1-NH2 2.92Å; D238-R275 PolarHBondContact OD1-NH2 2.84Å; D238-R275 IonicContact OD2-CZ 3.29Å; D238-R275 IonicContact OD2-NH1 3.49Å; D238-R275 IonicContact OD2-NH2 3.01Å; D238-R275 PolarHBondContact OD2-NH2 3.46Å; D238-T323 PolarHBondContact O-N 2.76Å; D238-T323 PolarHBondContact O-OG1 2.91Å; D238-A324 PolarHBondContact O-N 3.13Å
239	E	92.7	Very high	95.1	Very high	69 Å²	69	40.9 Å²	40.9	32%	0.322	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.5	-175	-57.2	76.9	-157.2	0	0	114.4	D211 R237 N241 A324	D211-E239 HydrophobicContact CB-CB 4.1Å; R237-E239 IonicContact CZ-OE2 3.74Å; R237-E239 VanDerWaalsContact CZ-OE2 3.29Å; R237-E239 IonicContact NE-OE2 2.82Å; R237-E239 IonicContact NH1-OE2 2.63Å; R237-E239 IonicContact NH2-OE2 3.3Å; R237-E239 PolarHBondContact NH2-OE2 3.38Å; R237-E239 PolarHBondContact O-N 3.01Å; E239-N241 PolarHBondContact O-N 3.02Å; E239-N241 VanDerWaalsContact O-N 3.13Å; E239-A324 CarbonylContact O-C 3.53Å; E239-A324 VanDerWaalsContact O-CA 3.25Å; E239-A324 WeakPolarHBondContact O-CA 3.47Å
240	L	94.2	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.			trans	-59.4	119.9	179.2	-63.4	-170.2	0	0	0	111.5	F214 L234 R237 D238 V242 V248	F214-L240 HydrophobicContact CB-CD2 4.32Å; F214-L240 HydrophobicContact CD1-CD1 4.48Å; F214-L240 HydrophobicContact CD2-CD1 3.87Å; F214-L240 HydrophobicContact CD2-CD2 3.76Å; F214-L240 HydrophobicContact CD2-CG 4.38Å; F214-L240 HydrophobicContact CE1-CD1 4.39Å; F214-L240 HydrophobicContact CE2-CD1 3.78Å; F214-L240 HydrophobicContact CE2-CD2 4.37Å; F214-L240 HydrophobicContact CG-CD1 4.22Å; F214-L240 HydrophobicContact CG-CD2 4.17Å; F214-L240 HydrophobicContact CZ-CD1 4.04Å; L234-L240 HydrophobicContact CD1-CD2 4.01Å; L234-L240 WeakPolarHBondContact O-CD1 3.25Å; R237-L240 HydrophobicContact CB-CD2 4.27Å; R237-L240 HydrophobicContact CB-CG 4.12Å; D238-L240 VanDerWaalsContact C-N 3.31Å; D238-L240 PolarHBondContact O-N 3.1Å; L240-V242 VanDerWaalsContact C-N 3.34Å; L240-V242 PolarHBondContact O-N 2.97Å; L240-V242 VanDerWaalsContact O-N 3.07Å; L240-V248 HydrophobicContact CD1-CG2 4.38Å
241	N	90.2	Very high	95.2	Very high	36 Å²	36	36.1 Å²	36.1	19%	0.193	18%	0.178	C	C	.	.			trans	-86.3	69.8	-177.6	-176.3	28.6	0	0	0	112.2	D211 Q212 E239 A324 R401 R612	D211-N241 VanDerWaalsContact O-CB 3.26Å; D211-N241 WeakPolarHBondContact O-CB 3.4Å; D211-N241 PolarHBondContact O-N 3.44Å; Q212-N241 PolarHBondContact O-ND2 2.98Å; E239-N241 PolarHBondContact O-N 3.02Å; E239-N241 VanDerWaalsContact O-N 3.13Å; N241-A324 HydrophobicContact CB-CB 4.15Å; N241-R401 PolarHBondContact OD1-NH2 3Å; N241-R612 PolarHBondContact OD1-NH1 3.02Å
242	V	91.7	Very high	95.3	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	18%	0.178	C	C	.	.			trans	-99.6	151.5	173.9	-66.3	0	0	0	0	111.2	F214 L240 E247 V248 R612	F214-V242 HydrophobicContact CD1-CG1 3.47Å; F214-V242 VanDerWaalsContact CD1-CG1 3.47Å; F214-V242 HydrophobicContact CE1-CG1 4.05Å; F214-V242 HydrophobicContact CG-CG1 4.36Å; L240-V242 VanDerWaalsContact C-N 3.34Å; L240-V242 PolarHBondContact O-N 2.97Å; L240-V242 VanDerWaalsContact O-N 3.07Å; V242-E247 HydrophobicContact CB-CB 4.18Å; V242-E247 HydrophobicContact CG1-CB 3.95Å; V242-V248 HydrophobicContact CG1-CG2 3.88Å; V242-V248 HydrophobicContact CG2-CG2 4.09Å; V242-R612 VanDerWaalsContact O-CZ 3.29Å; V242-R612 PolarHBondContact O-NH1 3.18Å; V242-R612 PolarHBondContact O-NH2 2.84Å
243	R	88.1	Confident	95.2	Very high	104 Å²	104	36.6 Å²	36.6	39%	0.392	18%	0.181	S	C	.	.	S	Bend	trans	-77.5	-37.4	171.3	-74.1	-172.4	172.9	-158	-7.3	111.1	E247 R373 D399	R243-E247 WeakPolarHBondContact CA-OE1 3.47Å; R243-E247 WeakPolarHBondContact CB-OE1 3.49Å; R243-E247 PolarHBondContact N-OE1 2.92Å; R243-R373 HydrophobicContact CB-CB 4.16Å; R243-D399 IonicContact NH2-OD2 2.7Å; R243-D399 PolarHBondContact NH2-OD2 3.48Å
244	T	92.2	Very high	95.2	Very high	29 Å²	29	36.1 Å²	36.1	18%	0.178	17%	0.168	C	C	.	.	S	Bend	trans	-136.5	154.7	176.3	66	0	0	0	0	111	A246 E247 R373 D425	T244-A246 PolarHBondContact O-N 2.91Å; T244-A246 WeakPolarHBondContact OG1-CB 3.45Å; T244-E247 PolarHBondContact N-OE1 2.89Å; T244-E247 WeakPolarHBondContact O-CB 3.17Å; T244-E247 PolarHBondContact O-N 3.01Å; T244-R373 HydrophobicContact CG2-CG 3.68Å; T244-D425 WeakPolarHBondContact CG2-OD2 3.37Å
245	E	95.3	Very high	95.2	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-18.5	172.8	-167.8	64.5	-168.4	0	0	112.2	E247 V248 Y249 V274 R275 T278 L279 R322	E245-E247 PolarHBondContact O-N 3.14Å; E245-V248 PolarHBondContact O-N 2.97Å; E245-V248 VanDerWaalsContact O-N 3.08Å; E245-Y249 PolarHBondContact O-N 3.01Å; E245-V274 HydrophobicContact CG-CG1 3.78Å; E245-V274 WeakPolarHBondContact OE1-CG1 3.35Å; E245-R275 HydrophobicContact CG-CB 4.02Å; E245-R275 PolarHBondContact OE1-N 2.81Å; E245-T278 WeakPolarHBondContact CB-OG1 3.15Å; E245-L279 HydrophobicContact CB-CD2 3.83Å; E245-L279 HydrophobicContact CB-CG 4.35Å; E245-L279 HydrophobicContact CG-CD2 4.31Å; E245-L279 HydrophobicContact CG-CG 4.48Å; E245-R322 IonicContact OE1-CZ 3.64Å; E245-R322 IonicContact OE1-NE 2.76Å; E245-R322 IonicContact OE1-NH2 3.71Å; E245-R322 PolarHBondContact OE1-NH2 3.38Å; E245-R322 IonicContact OE2-CZ 3.36Å; E245-R322 IonicContact OE2-NE 3.29Å; E245-R322 PolarHBondContact OE2-NE 2.93Å; E245-R322 IonicContact OE2-NH2 2.69Å; E245-R322 PolarHBondContact OE2-NH2 3.07Å
246	A	96	Very high	95.2	Very high	14 Å²	14	35.4 Å²	35.4	12%	0.116	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-29.6	175.5	0	0	0	0	0	111.8	T244 Y249 N250 L279 F283	T244-A246 PolarHBondContact O-N 2.91Å; T244-A246 WeakPolarHBondContact OG1-CB 3.45Å; A246-Y249 PolarHBondContact O-N 3.11Å; A246-N250 VanDerWaalsContact O-CB 3.24Å; A246-N250 WeakPolarHBondContact O-CB 3.27Å; A246-N250 PolarHBondContact O-N 2.78Å; A246-N250 PolarHBondContact O-ND2 3.04Å; A246-N250 VanDerWaalsContact O-ND2 3.1Å; A246-L279 HydrophobicContact CB-CD2 3.97Å; A246-L279 VanDerWaalsContact N-CD2 3.32Å; A246-F283 HydrophobicContact CB-CD2 4.26Å; A246-F283 HydrophobicContact CB-CE1 4.38Å; A246-F283 HydrophobicContact CB-CE2 3.74Å; A246-F283 HydrophobicContact CB-CZ 3.81Å
247	E	96.3	Very high	95.1	Very high	56 Å²	56	32.8 Å²	32.8	26%	0.262	16%	0.156	S	C	.	.	H	α-helix	trans	-62.5	-44.5	173.6	-67.7	177.4	-115.9	0	0	111.9	V242 R243 T244 E245 N250 A251	V242-E247 HydrophobicContact CB-CB 4.18Å; V242-E247 HydrophobicContact CG1-CB 3.95Å; R243-E247 WeakPolarHBondContact CA-OE1 3.47Å; R243-E247 WeakPolarHBondContact CB-OE1 3.49Å; R243-E247 PolarHBondContact N-OE1 2.92Å; T244-E247 PolarHBondContact N-OE1 2.89Å; T244-E247 WeakPolarHBondContact O-CB 3.17Å; T244-E247 PolarHBondContact O-N 3.01Å; E245-E247 PolarHBondContact O-N 3.14Å; E247-N250 PolarHBondContact O-N 3.17Å; E247-A251 WeakPolarHBondContact O-CB 3.25Å; E247-A251 PolarHBondContact O-N 2.98Å
248	V	98	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.1	-43.5	178.2	-171.7	0	0	0	0	110.6	F214 I235 L240 V242 E245 N250 A251 V252 V274	F214-V248 HydrophobicContact CE1-CB 4.39Å; F214-V248 HydrophobicContact CE1-CG2 3.89Å; F214-V248 HydrophobicContact CZ-CG1 4.37Å; F214-V248 HydrophobicContact CZ-CG2 4.4Å; I235-V248 HydrophobicContact CB-CG1 3.82Å; I235-V248 HydrophobicContact CG2-CG1 3.84Å; L240-V248 HydrophobicContact CD1-CG2 4.38Å; V242-V248 HydrophobicContact CG1-CG2 3.88Å; V242-V248 HydrophobicContact CG2-CG2 4.09Å; E245-V248 PolarHBondContact O-N 2.97Å; E245-V248 VanDerWaalsContact O-N 3.08Å; V248-N250 PolarHBondContact O-N 3.35Å; V248-A251 WeakPolarHBondContact O-CB 3.32Å; V248-A251 PolarHBondContact O-N 3.26Å; V248-V252 WeakPolarHBondContact O-CG2 3.28Å; V248-V252 PolarHBondContact O-N 3.48Å; V248-V274 HydrophobicContact CG1-CG2 4.15Å
249	Y	98.1	Very high	95.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-55.6	-51	174	-179.9	-83.2	0	0	0	111.1	E245 A246 A251 V252 I253 L271 L279 F283 Q287 L304	E245-Y249 PolarHBondContact O-N 3.01Å; A246-Y249 PolarHBondContact O-N 3.11Å; Y249-A251 VanDerWaalsContact C-N 3.29Å; Y249-A251 PolarHBondContact O-N 3.19Å; Y249-V252 WeakPolarHBondContact O-CB 3.36Å; Y249-V252 PolarHBondContact O-N 3.13Å; Y249-V252 VanDerWaalsContact O-N 3.16Å; Y249-I253 HydrophobicContact CD1-CG1 3.91Å; Y249-I253 HydrophobicContact CE1-CD1 4.05Å; Y249-I253 HydrophobicContact CE1-CG1 3.44Å; Y249-I253 VanDerWaalsContact CE1-CG1 3.44Å; Y249-I253 WeakPolarHBondContact O-CG1 3.39Å; Y249-I253 PolarHBondContact O-N 3.48Å; Y249-L271 HydrophobicContact CD2-CD2 3.65Å; Y249-L271 HydrophobicContact CE2-CD2 3.41Å; Y249-L271 VanDerWaalsContact CE2-CD2 3.41Å; Y249-L279 HydrophobicContact CD2-CD1 4.18Å; Y249-F283 AromaticContact CD1-CE1 3.73Å; Y249-F283 HydrophobicContact CD1-CE1 3.73Å; Y249-F283 AromaticContact CD1-CZ 3.66Å; Y249-F283 HydrophobicContact CD1-CZ 3.66Å; Y249-F283 HydrophobicContact CD2-CE1 4.46Å; Y249-F283 HydrophobicContact CE1-CE1 4.09Å; Y249-F283 HydrophobicContact CE1-CZ 4.15Å; Y249-F283 AromaticContact CG-CE1 3.95Å; Y249-F283 HydrophobicContact CG-CE1 3.95Å; Y249-F283 HydrophobicContact CG-CZ 4.22Å; Y249-Q287 HydrophobicContact CD1-CG 4.48Å; Y249-Q287 HydrophobicContact CE1-CB 4.36Å; Y249-Q287 HydrophobicContact CE1-CG 3.6Å; Y249-Q287 WeakPolarHBondContact OH-CB 3.27Å; Y249-L304 HydrophobicContact CE2-CD1 4.16Å; Y249-L304 HydrophobicContact CE2-CD2 4.49Å
250	N	97.5	Very high	95.3	Very high	78 Å²	78	38 Å²	38	42%	0.417	18%	0.178	S	C	.	.	H	α-helix	trans	-63.6	-35.7	-179.8	-72.1	-26.3	0	0	0	111.9	A246 E247 V248 I253 R254	A246-N250 VanDerWaalsContact O-CB 3.24Å; A246-N250 WeakPolarHBondContact O-CB 3.27Å; A246-N250 PolarHBondContact O-N 2.78Å; A246-N250 PolarHBondContact O-ND2 3.04Å; A246-N250 VanDerWaalsContact O-ND2 3.1Å; E247-N250 PolarHBondContact O-N 3.17Å; V248-N250 PolarHBondContact O-N 3.35Å; N250-I253 PolarHBondContact O-N 3.37Å; N250-R254 WeakPolarHBondContact O-CB 3.43Å; N250-R254 PolarHBondContact O-N 3.36Å
251	A	98.2	Very high	95.2	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-44.9	173.5	0	0	0	0	0	111.9	F214 V218 F223 E247 V248 Y249 R254 W255	F214-A251 HydrophobicContact CE1-CB 4.27Å; F214-A251 HydrophobicContact CZ-CB 4.06Å; V218-A251 HydrophobicContact CB-CB 3.91Å; V218-A251 HydrophobicContact CG1-CB 3.56Å; V218-A251 HydrophobicContact CG2-CB 4.45Å; F223-A251 HydrophobicContact CE1-CB 4.08Å; F223-A251 WeakPolarHBondContact CE1-O 3.43Å; F223-A251 HydrophobicContact CZ-CB 3.75Å; E247-A251 WeakPolarHBondContact O-CB 3.25Å; E247-A251 PolarHBondContact O-N 2.98Å; V248-A251 WeakPolarHBondContact O-CB 3.32Å; V248-A251 PolarHBondContact O-N 3.26Å; Y249-A251 VanDerWaalsContact C-N 3.29Å; Y249-A251 PolarHBondContact O-N 3.19Å; A251-R254 PolarHBondContact O-N 2.82Å; A251-W255 WeakPolarHBondContact O-CB 3.43Å; A251-W255 PolarHBondContact O-N 3.35Å
252	V	98.1	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-47.1	174.6	170.6	0	0	0	0	110.9	I235 V248 Y249 R254 W255 V256 L267 A270 V274	I235-V252 HydrophobicContact CD1-CG2 3.75Å; I235-V252 HydrophobicContact CG2-CG2 4.24Å; V248-V252 WeakPolarHBondContact O-CG2 3.28Å; V248-V252 PolarHBondContact O-N 3.48Å; Y249-V252 WeakPolarHBondContact O-CB 3.36Å; Y249-V252 PolarHBondContact O-N 3.13Å; Y249-V252 VanDerWaalsContact O-N 3.16Å; V252-R254 VanDerWaalsContact C-N 3.33Å; V252-R254 PolarHBondContact O-N 2.89Å; V252-W255 PolarHBondContact O-N 2.82Å; V252-V256 HydrophobicContact CG1-CG2 4.44Å; V252-V256 WeakPolarHBondContact O-CG2 3.38Å; V252-V256 PolarHBondContact O-N 3.13Å; V252-L267 HydrophobicContact CG1-CD1 4.24Å; V252-A270 HydrophobicContact CG1-CB 3.63Å; V252-A270 HydrophobicContact CG2-CB 4.38Å; V252-V274 HydrophobicContact CG2-CG2 3.92Å
253	I	97	Very high	95.5	Very high	17 Å²	17	48.4 Å²	48.4	9%	0.087	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-41.6	178.3	-63.4	-60.1	0	0	0	111.2	Y249 N250 N257 L267 L293	Y249-I253 HydrophobicContact CD1-CG1 3.91Å; Y249-I253 HydrophobicContact CE1-CD1 4.05Å; Y249-I253 HydrophobicContact CE1-CG1 3.44Å; Y249-I253 VanDerWaalsContact CE1-CG1 3.44Å; Y249-I253 WeakPolarHBondContact O-CG1 3.39Å; Y249-I253 PolarHBondContact O-N 3.48Å; N250-I253 PolarHBondContact O-N 3.37Å; I253-N257 VanDerWaalsContact CG2-ND2 3.34Å; I253-N257 WeakPolarHBondContact CG2-ND2 3.3Å; I253-N257 VanDerWaalsContact O-CB 3.26Å; I253-N257 WeakPolarHBondContact O-CB 3.44Å; I253-N257 VanDerWaalsContact O-CG 3.32Å; I253-N257 PolarHBondContact O-N 2.89Å; I253-N257 PolarHBondContact O-ND2 3.14Å; I253-L267 HydrophobicContact CD1-CD1 4.19Å; I253-L293 HydrophobicContact CD1-CD2 3.89Å
254	R	96.9	Very high	95.7	Very high	83 Å²	83	45.1 Å²	45.1	31%	0.313	23%	0.229	S	C	.	.	H	α-helix	trans	-60.5	-47.3	174.9	-169.9	-168.8	177.8	-126.5	-2	111	V218 K219 H220 L224 N250 A251 V252 N257 H258	V218-R254 WeakPolarHBondContact O-CD 3.39Å; V218-R254 PolarHBondContact O-NH1 3.26Å; K219-R254 VanDerWaalsContact C-NH1 3.35Å; K219-R254 PolarHBondContact O-NH1 3.08Å; K219-R254 PolarHBondContact O-NH2 3.35Å; H220-R254 PolarHBondContact O-NH1 3.23Å; L224-R254 HydrophobicContact CD2-CG 4Å; N250-R254 WeakPolarHBondContact O-CB 3.43Å; N250-R254 PolarHBondContact O-N 3.36Å; A251-R254 PolarHBondContact O-N 2.82Å; V252-R254 VanDerWaalsContact C-N 3.33Å; V252-R254 PolarHBondContact O-N 2.89Å; R254-N257 PolarHBondContact O-N 3.39Å; R254-H258 PolarHBondContact O-N 2.92Å; R254-H258 VanDerWaalsContact O-N 3.11Å
255	W	98	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-43.7	-179.1	-179.5	93.6	0	0	0	112.8	F223 L226 P228 L231 A251 V252 H258 R263 T266	F223-W255 HydrophobicContact CE1-CB 3.86Å; F223-W255 HydrophobicContact CZ-CB 4.26Å; F223-W255 VanDerWaalsContact O-CD1 3.31Å; L226-W255 VanDerWaalsContact O-CZ2 3.28Å; L226-W255 WeakPolarHBondContact O-CZ2 3.38Å; L226-W255 PolarHBondContact O-NE1 3.35Å; P228-W255 HydrophobicContact CB-CH2 4.28Å; P228-W255 HydrophobicContact CG-CH2 4.02Å; P228-W255 HydrophobicContact CG-CZ2 4.39Å; L231-W255 HydrophobicContact CD1-CG 4.28Å; L231-W255 HydrophobicContact CD2-CD2 3.59Å; L231-W255 HydrophobicContact CD2-CE3 3.43Å; L231-W255 VanDerWaalsContact CD2-CE3 3.43Å; L231-W255 HydrophobicContact CD2-CG 4.1Å; L231-W255 HydrophobicContact CD2-CH2 4.18Å; L231-W255 HydrophobicContact CD2-CZ2 4.31Å; L231-W255 HydrophobicContact CD2-CZ3 3.74Å; L231-W255 HydrophobicContact CG-CD2 4.5Å; A251-W255 WeakPolarHBondContact O-CB 3.43Å; A251-W255 PolarHBondContact O-N 3.35Å; V252-W255 PolarHBondContact O-N 2.82Å; W255-H258 PolarHBondContact O-N 2.85Å; W255-R263 HydrophobicContact CE3-CB 4.18Å; W255-R263 HydrophobicContact CE3-CG 4.18Å; W255-R263 HydrophobicContact CH2-CB 3.96Å; W255-R263 HydrophobicContact CH2-CG 3.49Å; W255-R263 VanDerWaalsContact CH2-CG 3.49Å; W255-R263 HydrophobicContact CZ2-CG 4.01Å; W255-R263 VanDerWaalsContact CZ2-NE 3.31Å; W255-R263 HydrophobicContact CZ3-CB 3.58Å; W255-R263 HydrophobicContact CZ3-CG 3.59Å; W255-R263 VanDerWaalsContact O-CD 3.3Å; W255-R263 WeakPolarHBondContact O-CD 3.2Å; W255-R263 PolarHBondContact O-NH1 3.32Å; W255-T266 HydrophobicContact CH2-CG2 4.46Å; W255-T266 HydrophobicContact CZ3-CG2 4.36Å
256	V	96.7	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-40.6	176.5	179.1	0	0	0	0	110.7	V252 H258 N259 R260 R263 L267 L293	V252-V256 HydrophobicContact CG1-CG2 4.44Å; V252-V256 WeakPolarHBondContact O-CG2 3.38Å; V252-V256 PolarHBondContact O-N 3.13Å; V256-H258 VanDerWaalsContact C-N 3.25Å; V256-H258 PolarHBondContact O-N 2.92Å; V256-N259 CarbonylContact O-C 3.57Å; V256-N259 VanDerWaalsContact O-C 3.24Å; V256-N259 PolarHBondContact O-N 2.72Å; V256-R260 WeakPolarHBondContact O-CA 3.44Å; V256-R260 PolarHBondContact O-N 3.49Å; V256-R260 VanDerWaalsContact O-N 3.09Å; V256-R263 HydrophobicContact CB-CB 4.44Å; V256-R263 HydrophobicContact CG1-CB 4.11Å; V256-R263 HydrophobicContact CG2-CB 4.42Å; V256-L267 HydrophobicContact CG2-CD1 4.17Å; V256-L293 HydrophobicContact CB-CD2 3.86Å; V256-L293 HydrophobicContact CG1-CD1 3.71Å; V256-L293 HydrophobicContact CG1-CD2 3.64Å; V256-L293 HydrophobicContact CG1-CG 4.31Å
257	N	95.3	Very high	95.7	Very high	56 Å²	56	47.4 Å²	47.4	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-30.5	178.6	-84.8	-46.5	0	0	0	113.7	I253 R254 N259 R260	I253-N257 VanDerWaalsContact CG2-ND2 3.34Å; I253-N257 WeakPolarHBondContact CG2-ND2 3.3Å; I253-N257 VanDerWaalsContact O-CB 3.26Å; I253-N257 WeakPolarHBondContact O-CB 3.44Å; I253-N257 VanDerWaalsContact O-CG 3.32Å; I253-N257 PolarHBondContact O-N 2.89Å; I253-N257 PolarHBondContact O-ND2 3.14Å; R254-N257 PolarHBondContact O-N 3.39Å; N257-N259 VanDerWaalsContact C-N 3.28Å; N257-N259 PolarHBondContact O-N 3.46Å; N257-R260 PolarHBondContact OD1-NE 2.81Å; N257-R260 PolarHBondContact OD1-NH2 2.88Å
258	H	96	Very high	95.7	Very high	119 Å²	119	47.6 Å²	47.6	55%	0.551	25%	0.249	S	C	*	.	H	α-helix	trans	-63.1	-32.4	177.6	-177.2	76.5	0	0	0	113	L224 R254 W255 V256	L224-H258 HydrophobicContact CB-CB 4.46Å; L224-H258 HydrophobicContact CD1-CB 4.38Å; L224-H258 HydrophobicContact CD2-CB 4.11Å; R254-H258 PolarHBondContact O-N 2.92Å; R254-H258 VanDerWaalsContact O-N 3.11Å; W255-H258 PolarHBondContact O-N 2.85Å; V256-H258 VanDerWaalsContact C-N 3.25Å; V256-H258 PolarHBondContact O-N 2.92Å
259	N	95.2	Very high	95.6	Very high	69 Å²	69	52.5 Å²	52.5	37%	0.369	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	72.1	175.6	-171.6	-22.5	0	0	0	111.1	V256 N257 N261 S262 R263	V256-N259 CarbonylContact O-C 3.57Å; V256-N259 VanDerWaalsContact O-C 3.24Å; V256-N259 PolarHBondContact O-N 2.72Å; N257-N259 VanDerWaalsContact C-N 3.28Å; N257-N259 PolarHBondContact O-N 3.46Å; N259-N261 VanDerWaalsContact C-N 3.31Å; N259-N261 PolarHBondContact O-N 2.7Å; N259-S262 PolarHBondContact ND2-OG 2.8Å; N259-S262 VanDerWaalsContact ND2-OG 3.13Å; N259-S262 PolarHBondContact O-N 2.88Å; N259-S262 PolarHBondContact O-OG 3.07Å; N259-S262 PolarHBondContact OD1-N 2.72Å; N259-S262 PolarHBondContact OD1-OG 3.21Å; N259-R263 HydrophobicContact CB-CG 4.34Å; N259-R263 WeakPolarHBondContact O-CB 3.14Å; N259-R263 VanDerWaalsContact O-CG 3.28Å; N259-R263 WeakPolarHBondContact O-CG 3.49Å; N259-R263 PolarHBondContact O-N 3.29Å; N259-R263 VanDerWaalsContact O-N 3.09Å
260	R	93.5	Very high	95.6	Very high	114 Å²	114	52.4 Å²	52.4	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-54.7	-45.1	-174.6	-64.3	-177.3	177.8	-175.7	-1.5	112.6	V256 N257 S262 R263 S264	V256-R260 WeakPolarHBondContact O-CA 3.44Å; V256-R260 PolarHBondContact O-N 3.49Å; V256-R260 VanDerWaalsContact O-N 3.09Å; N257-R260 PolarHBondContact OD1-NE 2.81Å; N257-R260 PolarHBondContact OD1-NH2 2.88Å; R260-S262 VanDerWaalsContact C-N 3.32Å; R260-S262 PolarHBondContact O-N 2.93Å; R260-R263 PolarHBondContact O-N 3.07Å; R260-S264 VanDerWaalsContact O-CB 3.32Å; R260-S264 WeakPolarHBondContact O-CB 3.48Å; R260-S264 PolarHBondContact O-N 3.16Å; R260-S264 PolarHBondContact O-OG 2.87Å
261	N	92.1	Very high	95.6	Very high	166 Å²	166	48.7 Å²	48.7	89%	0.888	25%	0.252	S	S	*	.	H	α-helix	trans	-58.6	-41.5	-173.4	-64.9	-17	0	0	0	112.9	N259	N259-N261 VanDerWaalsContact C-N 3.31Å; N259-N261 PolarHBondContact O-N 2.7Å
262	S	93.1	Very high	95.5	Very high	68 Å²	68	51.9 Å²	51.9	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-91.3	-20.8	-179.7	62.7	0	0	0	0	113.9	N259 R260	N259-S262 PolarHBondContact ND2-OG 2.8Å; N259-S262 VanDerWaalsContact ND2-OG 3.13Å; N259-S262 PolarHBondContact O-N 2.88Å; N259-S262 PolarHBondContact O-OG 3.07Å; N259-S262 PolarHBondContact OD1-N 2.72Å; N259-S262 PolarHBondContact OD1-OG 3.21Å; R260-S262 VanDerWaalsContact C-N 3.32Å; R260-S262 PolarHBondContact O-N 2.93Å
263	R	94.8	Very high	95.4	Very high	25 Å²	25	52.6 Å²	52.6	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-107.1	-15.6	-169.1	-62.8	176.7	172.9	179.1	-4.3	114.6	L224 L226 W255 V256 N259 R260 S265 T266	L224-R263 VanDerWaalsContact O-CZ 3.27Å; L224-R263 PolarHBondContact O-NH1 3.01Å; L224-R263 PolarHBondContact O-NH2 3.23Å; L226-R263 PolarHBondContact O-NH2 3.21Å; W255-R263 HydrophobicContact CE3-CB 4.18Å; W255-R263 HydrophobicContact CE3-CG 4.18Å; W255-R263 HydrophobicContact CH2-CB 3.96Å; W255-R263 HydrophobicContact CH2-CG 3.49Å; W255-R263 VanDerWaalsContact CH2-CG 3.49Å; W255-R263 HydrophobicContact CZ2-CG 4.01Å; W255-R263 VanDerWaalsContact CZ2-NE 3.31Å; W255-R263 HydrophobicContact CZ3-CB 3.58Å; W255-R263 HydrophobicContact CZ3-CG 3.59Å; W255-R263 VanDerWaalsContact O-CD 3.3Å; W255-R263 WeakPolarHBondContact O-CD 3.2Å; W255-R263 PolarHBondContact O-NH1 3.32Å; V256-R263 HydrophobicContact CB-CB 4.44Å; V256-R263 HydrophobicContact CG1-CB 4.11Å; V256-R263 HydrophobicContact CG2-CB 4.42Å; N259-R263 HydrophobicContact CB-CG 4.34Å; N259-R263 WeakPolarHBondContact O-CB 3.14Å; N259-R263 VanDerWaalsContact O-CG 3.28Å; N259-R263 WeakPolarHBondContact O-CG 3.49Å; N259-R263 PolarHBondContact O-N 3.29Å; N259-R263 VanDerWaalsContact O-N 3.09Å; R260-R263 PolarHBondContact O-N 3.07Å; R263-S265 PolarHBondContact O-N 2.9Å; R263-T266 WeakPolarHBondContact O-CB 3.4Å; R263-T266 PolarHBondContact O-N 2.94Å
264	S	92.1	Very high	95.4	Very high	35 Å²	35	52.1 Å²	52.1	25%	0.245	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-56.9	-35	-179.3	-79.1	0	0	0	0	113.3	R260 T266 L267	R260-S264 VanDerWaalsContact O-CB 3.32Å; R260-S264 WeakPolarHBondContact O-CB 3.48Å; R260-S264 PolarHBondContact O-N 3.16Å; R260-S264 PolarHBondContact O-OG 2.87Å; S264-T266 PolarHBondContact O-N 2.62Å; S264-L267 WeakPolarHBondContact O-CB 3.45Å; S264-L267 PolarHBondContact O-N 3.41Å
265	S	91.4	Very high	95.4	Very high	92 Å²	92	49.9 Å²	49.9	64%	0.643	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64.5	-27.6	176.4	54.6	0	0	0	0	113.2	R263	R263-S265 PolarHBondContact O-N 2.9Å
266	T	94.9	Very high	95.3	Very high	12 Å²	12	50 Å²	50	7%	0.074	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-80.9	-14.4	179.1	-46.7	0	0	0	0	112.6	P228 W255 R263 S264 L268 E269 A270	P228-T266 HydrophobicContact CB-CG2 4.01Å; W255-T266 HydrophobicContact CH2-CG2 4.46Å; W255-T266 HydrophobicContact CZ3-CG2 4.36Å; R263-T266 WeakPolarHBondContact O-CB 3.4Å; R263-T266 PolarHBondContact O-N 2.94Å; S264-T266 PolarHBondContact O-N 2.62Å; T266-L268 PolarHBondContact O-N 3.03Å; T266-E269 PolarHBondContact O-N 2.76Å; T266-A270 WeakPolarHBondContact O-CB 3.42Å; T266-A270 PolarHBondContact O-N 2.78Å
267	L	95.9	Very high	95.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-43.8	-171	179.6	61.4	0	0	0	113.3	V252 I253 V256 S264 A270 L271 L293 L294 F297 A300	V252-L267 HydrophobicContact CG1-CD1 4.24Å; I253-L267 HydrophobicContact CD1-CD1 4.19Å; V256-L267 HydrophobicContact CG2-CD1 4.17Å; S264-L267 WeakPolarHBondContact O-CB 3.45Å; S264-L267 PolarHBondContact O-N 3.41Å; L267-A270 PolarHBondContact O-N 2.87Å; L267-L271 HydrophobicContact CD1-CD1 4.01Å; L267-L271 HydrophobicContact CD1-CD2 4.46Å; L267-L271 HydrophobicContact CD1-CG 3.94Å; L267-L271 HydrophobicContact CG-CD1 4.08Å; L267-L271 HydrophobicContact CG-CG 4.37Å; L267-L271 WeakPolarHBondContact O-CB 3.33Å; L267-L271 VanDerWaalsContact O-CG 3.3Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.03Å; L267-L293 HydrophobicContact CD1-CD2 3.93Å; L267-L293 HydrophobicContact CD2-CD1 4.34Å; L267-L293 HydrophobicContact CD2-CD2 3.61Å; L267-L293 HydrophobicContact CD2-CG 3.6Å; L267-L293 HydrophobicContact CG-CD2 4.4Å; L267-L294 HydrophobicContact CD2-CD2 4.26Å; L267-F297 HydrophobicContact CB-CD1 4.09Å; L267-F297 HydrophobicContact CB-CE1 4.16Å; L267-F297 HydrophobicContact CD2-CB 4.45Å; L267-F297 HydrophobicContact CD2-CD1 3.97Å; L267-F297 HydrophobicContact CG-CD1 4.35Å; L267-A300 HydrophobicContact CD2-CB 3.91Å; L267-A300 HydrophobicContact CG-CB 3.98Å
268	L	96.8	Very high	95.2	Very high	60 Å²	60	53.2 Å²	53.2	31%	0.314	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-43.9	179.9	174.6	62.2	0	0	0	111.4	T266 L271 S272 F297 P299 H303	T266-L268 PolarHBondContact O-N 3.03Å; L268-L271 PolarHBondContact O-N 2.9Å; L268-S272 WeakPolarHBondContact O-CB 3.46Å; L268-S272 PolarHBondContact O-N 2.71Å; L268-S272 PolarHBondContact O-OG 2.73Å; L268-F297 HydrophobicContact CB-CE1 3.89Å; L268-F297 HydrophobicContact CB-CZ 4.49Å; L268-P299 HydrophobicContact CD2-CB 3.98Å; L268-H303 HydrophobicContact CD1-CB 3.67Å
269	E	97.3	Very high	95.2	Very high	103 Å²	103	47.8 Å²	47.8	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-42.8	178.3	-172	179.8	-173.4	0	0	111.1	L232 T266 S272 A273	L232-E269 HydrophobicContact CD1-CG 3.97Å; L232-E269 WeakPolarHBondContact CD1-OE1 3.45Å; L232-E269 HydrophobicContact CD2-CG 4Å; T266-E269 PolarHBondContact O-N 2.76Å; E269-S272 WeakPolarHBondContact O-CB 3.46Å; E269-S272 PolarHBondContact O-N 2.99Å; E269-A273 PolarHBondContact O-N 3.15Å; E269-A273 VanDerWaalsContact O-N 3.1Å
270	A	97.6	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-44.9	176.4	0	0	0	0	0	111.9	L232 I235 V252 T266 L267 S272 A273 V274	L232-A270 HydrophobicContact CD2-CB 4.2Å; I235-A270 HydrophobicContact CD1-CB 4.21Å; V252-A270 HydrophobicContact CG1-CB 3.63Å; V252-A270 HydrophobicContact CG2-CB 4.38Å; T266-A270 WeakPolarHBondContact O-CB 3.42Å; T266-A270 PolarHBondContact O-N 2.78Å; L267-A270 PolarHBondContact O-N 2.87Å; A270-S272 VanDerWaalsContact C-N 3.28Å; A270-S272 PolarHBondContact O-N 3.41Å; A270-A273 WeakPolarHBondContact O-CB 3.4Å; A270-A273 PolarHBondContact O-N 2.85Å; A270-A273 VanDerWaalsContact O-N 3.08Å; A270-V274 WeakPolarHBondContact O-CG2 3.48Å; A270-V274 PolarHBondContact O-N 3.04Å
271	L	97.2	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-30.4	176.3	-69.9	-179.4	0	0	0	113.1	Y249 L267 L268 A273 V274 C276 L294 A300 L304	Y249-L271 HydrophobicContact CD2-CD2 3.65Å; Y249-L271 HydrophobicContact CE2-CD2 3.41Å; Y249-L271 VanDerWaalsContact CE2-CD2 3.41Å; L267-L271 HydrophobicContact CD1-CD1 4.01Å; L267-L271 HydrophobicContact CD1-CD2 4.46Å; L267-L271 HydrophobicContact CD1-CG 3.94Å; L267-L271 HydrophobicContact CG-CD1 4.08Å; L267-L271 HydrophobicContact CG-CG 4.37Å; L267-L271 WeakPolarHBondContact O-CB 3.33Å; L267-L271 VanDerWaalsContact O-CG 3.3Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.03Å; L268-L271 PolarHBondContact O-N 2.9Å; L271-A273 PolarHBondContact O-N 2.91Å; L271-V274 PolarHBondContact O-N 3.05Å; L271-V274 VanDerWaalsContact O-O 3.06Å; L271-C276 PolarHBondContact O-SG 3.45Å; L271-C276 VanDerWaalsContact O-SG 3.33Å; L271-L294 HydrophobicContact CD1-CD2 4.19Å; L271-A300 HydrophobicContact CD1-CB 3.84Å; L271-L304 HydrophobicContact CD1-CD1 4.09Å; L271-L304 HydrophobicContact CD1-CG 4.25Å
272	S	95.9	Very high	95.6	Very high	71 Å²	71	37.3 Å²	37.3	50%	0.497	22%	0.217	S	C	.	.	H	α-helix	trans	-70.5	-23.8	173.3	-57	0	0	0	0	112.4	L268 E269 A270	L268-S272 WeakPolarHBondContact O-CB 3.46Å; L268-S272 PolarHBondContact O-N 2.71Å; L268-S272 PolarHBondContact O-OG 2.73Å; E269-S272 WeakPolarHBondContact O-CB 3.46Å; E269-S272 PolarHBondContact O-N 2.99Å; A270-S272 VanDerWaalsContact C-N 3.28Å; A270-S272 PolarHBondContact O-N 3.41Å
273	A	96.5	Very high	95.8	Very high	15 Å²	15	36.1 Å²	36.1	12%	0.124	20%	0.203	C	C	.	.	H	α-helix	trans	-86.2	-24.5	173.4	0	0	0	0	0	113.2	L232 I235 K236 E269 A270 L271	L232-A273 HydrophobicContact CD2-CB 4.32Å; I235-A273 HydrophobicContact CD1-CB 3.88Å; I235-A273 HydrophobicContact CG1-CB 3.98Å; K236-A273 HydrophobicContact CD-CB 4.44Å; K236-A273 HydrophobicContact CG-CB 3.74Å; E269-A273 PolarHBondContact O-N 3.15Å; E269-A273 VanDerWaalsContact O-N 3.1Å; A270-A273 WeakPolarHBondContact O-CB 3.4Å; A270-A273 PolarHBondContact O-N 2.85Å; A270-A273 VanDerWaalsContact O-N 3.08Å; L271-A273 PolarHBondContact O-N 2.91Å
274	V	97.1	Very high	96	Very high	6 Å²	6	35 Å²	35	4%	0.036	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	138.5	167.6	177.1	0	0	0	0	108.7	I235 E245 V248 V252 A270 L271 C276	I235-V274 HydrophobicContact CD1-CG2 4.33Å; E245-V274 HydrophobicContact CG-CG1 3.78Å; E245-V274 WeakPolarHBondContact OE1-CG1 3.35Å; V248-V274 HydrophobicContact CG1-CG2 4.15Å; V252-V274 HydrophobicContact CG2-CG2 3.92Å; A270-V274 WeakPolarHBondContact O-CG2 3.48Å; A270-V274 PolarHBondContact O-N 3.04Å; L271-V274 PolarHBondContact O-N 3.05Å; L271-V274 VanDerWaalsContact O-O 3.06Å; V274-C276 PolarHBondContact O-N 3.09Å
275	R	95.9	Very high	96.2	Very high	36 Å²	36	39 Å²	39	14%	0.136	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	57	-178.2	-62.4	155.7	-175	-127.1	5.2	110.9	D238 E245 Y277 T278 N320 K321	D238-R275 IonicContact OD1-CZ 3.84Å; D238-R275 IonicContact OD1-NH2 2.92Å; D238-R275 PolarHBondContact OD1-NH2 2.84Å; D238-R275 IonicContact OD2-CZ 3.29Å; D238-R275 IonicContact OD2-NH1 3.49Å; D238-R275 IonicContact OD2-NH2 3.01Å; D238-R275 PolarHBondContact OD2-NH2 3.46Å; E245-R275 HydrophobicContact CG-CB 4.02Å; E245-R275 PolarHBondContact OE1-N 2.81Å; R275-Y277 PolarHBondContact O-N 2.83Å; R275-T278 HydrophobicContact CB-CG2 4.26Å; R275-T278 PolarHBondContact O-N 2.63Å; R275-T278 PolarHBondContact O-OG1 3.1Å; R275-N320 WeakPolarHBondContact CD-O 3.43Å; R275-N320 PolarHBondContact NH1-O 2.81Å; R275-K321 PolarHBondContact NH1-O 2.83Å
276	C	96.7	Very high	96.5	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.02	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-55.9	-25.5	-168.5	-68.7	0	0	0	0	114.4	L271 V274 T278 L279 L304 I307	L271-C276 PolarHBondContact O-SG 3.45Å; L271-C276 VanDerWaalsContact O-SG 3.33Å; V274-C276 PolarHBondContact O-N 3.09Å; C276-T278 PolarHBondContact O-N 2.75Å; C276-L279 HydrophobicContact CB-CD1 4.23Å; C276-L279 WeakPolarHBondContact O-CB 3.38Å; C276-L279 PolarHBondContact O-N 2.65Å; C276-L279 VanDerWaalsContact O-N 3.09Å; C276-L304 HydrophobicContact CB-CD2 4.34Å; C276-I307 HydrophobicContact CB-CD1 3.59Å
277	Y	96	Very high	96.5	Very high	75 Å²	75	37 Å²	37	29%	0.294	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-66.1	-13.5	173.2	-75.7	-72	0	0	0	114.8	R275 I307 D310 L311 I317	R275-Y277 PolarHBondContact O-N 2.83Å; Y277-I307 HydrophobicContact CD1-CB 4.5Å; Y277-I307 HydrophobicContact CD1-CG2 3.71Å; Y277-I307 HydrophobicContact CE1-CB 4.1Å; Y277-I307 HydrophobicContact CE1-CG1 3.97Å; Y277-I307 HydrophobicContact CE1-CG2 3.8Å; Y277-I307 HydrophobicContact CE2-CD1 4.33Å; Y277-I307 HydrophobicContact CE2-CG1 3.98Å; Y277-I307 HydrophobicContact CG-CG2 4.19Å; Y277-D310 HydrophobicContact CE1-CB 4.03Å; Y277-D310 PolarHBondContact OH-OD2 2.88Å; Y277-L311 HydrophobicContact CD1-CD2 4.14Å; Y277-L311 HydrophobicContact CD1-CG 4.31Å; Y277-I317 HydrophobicContact CD1-CD1 3.44Å; Y277-I317 VanDerWaalsContact CD1-CD1 3.44Å; Y277-I317 HydrophobicContact CD1-CG1 4.42Å; Y277-I317 HydrophobicContact CD1-CG2 3.97Å; Y277-I317 HydrophobicContact CD2-CG2 4.13Å; Y277-I317 HydrophobicContact CE1-CD1 3.23Å; Y277-I317 HydrophobicContact CE1-CG1 4.19Å; Y277-I317 HydrophobicContact CE1-CG2 4.19Å; Y277-I317 HydrophobicContact CE2-CG2 4.32Å; Y277-I317 HydrophobicContact CG-CD1 4.46Å; Y277-I317 HydrophobicContact CG-CG2 3.94Å
278	T	94.4	Very high	96.6	Very high	49 Å²	49	38 Å²	38	30%	0.301	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-88.8	-4.9	171.5	66.1	0	0	0	0	113	E245 R275 C276 I319	E245-T278 WeakPolarHBondContact CB-OG1 3.15Å; R275-T278 HydrophobicContact CB-CG2 4.26Å; R275-T278 PolarHBondContact O-N 2.63Å; R275-T278 PolarHBondContact O-OG1 3.1Å; C276-T278 PolarHBondContact O-N 2.75Å; T278-I319 HydrophobicContact CG2-CG2 3.36Å
279	L	95.9	Very high	96.5	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.225	C	C	.	.	S	Bend	trans	-82.1	140.5	-179.8	-64.1	168.8	0	0	0	110.4	E245 A246 Y249 C276 F283 I284	E245-L279 HydrophobicContact CB-CD2 3.83Å; E245-L279 HydrophobicContact CB-CG 4.35Å; E245-L279 HydrophobicContact CG-CD2 4.31Å; E245-L279 HydrophobicContact CG-CG 4.48Å; A246-L279 HydrophobicContact CB-CD2 3.97Å; A246-L279 VanDerWaalsContact N-CD2 3.32Å; Y249-L279 HydrophobicContact CD2-CD1 4.18Å; C276-L279 HydrophobicContact CB-CD1 4.23Å; C276-L279 WeakPolarHBondContact O-CB 3.38Å; C276-L279 PolarHBondContact O-N 2.65Å; C276-L279 VanDerWaalsContact O-N 3.09Å; L279-F283 HydrophobicContact CB-CD1 4.23Å; L279-F283 HydrophobicContact CD1-CD1 4.02Å; L279-F283 HydrophobicContact CD1-CE1 3.99Å; L279-F283 HydrophobicContact CD2-CD1 4.02Å; L279-F283 HydrophobicContact CD2-CE1 4.07Å; L279-F283 HydrophobicContact CG-CD1 4.33Å; L279-I284 HydrophobicContact CB-CD1 4.08Å; L279-I284 HydrophobicContact CB-CG1 3.88Å; L279-I284 HydrophobicContact CD1-CG1 4.33Å
280	P	95.9	Very high	96.4	Very high	20 Å²	20	44.3 Å²	44.3	13%	0.13	23%	0.234	C	C	.	.			trans	-54.2	138.1	170.1	-30	38	0	0	0	112.4	T282 F283 I284 D424	P280-T282 PolarHBondContact O-N 2.92Å; P280-F283 HydrophobicContact CB-CB 4.24Å; P280-F283 WeakPolarHBondContact O-CB 3.4Å; P280-F283 PolarHBondContact O-N 3.1Å; P280-I284 PolarHBondContact O-N 3.32Å; P280-I284 VanDerWaalsContact O-N 3.16Å; P280-D424 HydrophobicContact CB-CB 3.99Å; P280-D424 HydrophobicContact CG-CB 4.22Å
281	P	97.1	Very high	96.1	Very high	4 Å²	4	45 Å²	45	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-54	-37.9	174.9	-32.1	39.7	0	0	0	113.7	F283 I284 Q285 L308 L311 I312 D424	P281-F283 VanDerWaalsContact C-N 3.31Å; P281-F283 PolarHBondContact O-N 2.59Å; P281-I284 PolarHBondContact O-N 3.42Å; P281-Q285 VanDerWaalsContact O-CB 3.29Å; P281-Q285 WeakPolarHBondContact O-CB 3.43Å; P281-Q285 PolarHBondContact O-N 2.85Å; P281-L308 HydrophobicContact CB-CD1 3.65Å; P281-L311 HydrophobicContact CG-CB 4.06Å; P281-L311 HydrophobicContact CG-CD1 4.3Å; P281-I312 HydrophobicContact CB-CG1 4.41Å; P281-D424 WeakPolarHBondContact CD-OD2 3.49Å
282	T	95.8	Very high	95.8	Very high	105 Å²	105	48.6 Å²	48.6	64%	0.644	26%	0.264	S	S	*	.	H	α-helix	trans	-60.3	-39.4	176.3	52.5	0	0	0	0	112.1	P280 G286	P280-T282 PolarHBondContact O-N 2.92Å; T282-G286 PolarHBondContact O-N 2.66Å
283	F	96.9	Very high	95.6	Very high	44 Å²	44	45.6 Å²	45.6	19%	0.193	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-52.8	174.3	179.2	-89.8	0	0	0	110.4	A246 Y249 L279 P280 P281 Q285 G286 Q287	A246-F283 HydrophobicContact CB-CD2 4.26Å; A246-F283 HydrophobicContact CB-CE1 4.38Å; A246-F283 HydrophobicContact CB-CE2 3.74Å; A246-F283 HydrophobicContact CB-CZ 3.81Å; Y249-F283 AromaticContact CD1-CE1 3.73Å; Y249-F283 HydrophobicContact CD1-CE1 3.73Å; Y249-F283 AromaticContact CD1-CZ 3.66Å; Y249-F283 HydrophobicContact CD1-CZ 3.66Å; Y249-F283 HydrophobicContact CD2-CE1 4.46Å; Y249-F283 HydrophobicContact CE1-CE1 4.09Å; Y249-F283 HydrophobicContact CE1-CZ 4.15Å; Y249-F283 AromaticContact CG-CE1 3.95Å; Y249-F283 HydrophobicContact CG-CE1 3.95Å; Y249-F283 HydrophobicContact CG-CZ 4.22Å; L279-F283 HydrophobicContact CB-CD1 4.23Å; L279-F283 HydrophobicContact CD1-CD1 4.02Å; L279-F283 HydrophobicContact CD1-CE1 3.99Å; L279-F283 HydrophobicContact CD2-CD1 4.02Å; L279-F283 HydrophobicContact CD2-CE1 4.07Å; L279-F283 HydrophobicContact CG-CD1 4.33Å; P280-F283 HydrophobicContact CB-CB 4.24Å; P280-F283 WeakPolarHBondContact O-CB 3.4Å; P280-F283 PolarHBondContact O-N 3.1Å; P281-F283 VanDerWaalsContact C-N 3.31Å; P281-F283 PolarHBondContact O-N 2.59Å; F283-Q285 VanDerWaalsContact C-N 3.34Å; F283-Q285 PolarHBondContact O-N 3.3Å; F283-G286 PolarHBondContact O-N 3.04Å; F283-G286 VanDerWaalsContact O-N 3.15Å; F283-Q287 HydrophobicContact CD1-CG 4.03Å; F283-Q287 HydrophobicContact CE1-CG 3.64Å; F283-Q287 HydrophobicContact CZ-CG 3.94Å; F283-Q287 WeakPolarHBondContact O-CG 3.47Å; F283-Q287 PolarHBondContact O-N 3.3Å
284	I	97.9	Very high	95.3	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-46.3	-178.7	-59.8	175.9	0	0	0	110.7	L279 P280 P281 G286 Q287 I288 L304 I307 L308 L311	L279-I284 HydrophobicContact CB-CD1 4.08Å; L279-I284 HydrophobicContact CB-CG1 3.88Å; L279-I284 HydrophobicContact CD1-CG1 4.33Å; P280-I284 PolarHBondContact O-N 3.32Å; P280-I284 VanDerWaalsContact O-N 3.16Å; P281-I284 PolarHBondContact O-N 3.42Å; I284-G286 VanDerWaalsContact C-N 3.33Å; I284-G286 PolarHBondContact O-N 2.68Å; I284-Q287 WeakPolarHBondContact O-CB 3.49Å; I284-Q287 PolarHBondContact O-N 3.29Å; I284-Q287 VanDerWaalsContact O-N 3.13Å; I284-I288 HydrophobicContact CG2-CD1 3.86Å; I284-I288 HydrophobicContact CG2-CG1 4.36Å; I284-I288 WeakPolarHBondContact O-CG1 3.45Å; I284-I288 PolarHBondContact O-N 3.47Å; I284-L304 HydrophobicContact CG2-CB 4.09Å; I284-I307 HydrophobicContact CD1-CG2 3.79Å; I284-L308 HydrophobicContact CB-CD1 4.45Å; I284-L308 HydrophobicContact CG2-CB 4.06Å; I284-L311 HydrophobicContact CD1-CD1 3.73Å
285	Q	97.2	Very high	94.9	Very high	117 Å²	117	48.1 Å²	48.1	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-43.7	177.2	-172.1	-177.7	15.9	0	0	111.6	P281 F283 Q287 I288 K289 L308	P281-Q285 VanDerWaalsContact O-CB 3.29Å; P281-Q285 WeakPolarHBondContact O-CB 3.43Å; P281-Q285 PolarHBondContact O-N 2.85Å; F283-Q285 VanDerWaalsContact C-N 3.34Å; F283-Q285 PolarHBondContact O-N 3.3Å; Q285-Q287 VanDerWaalsContact C-N 3.32Å; Q285-Q287 PolarHBondContact O-N 3.35Å; Q285-I288 PolarHBondContact O-N 3.08Å; Q285-K289 WeakPolarHBondContact O-CB 3.33Å; Q285-K289 PolarHBondContact O-N 3.1Å; Q285-L308 HydrophobicContact CB-CD2 4.11Å; Q285-L308 HydrophobicContact CG-CD2 4.47Å
286	G	96.9	Very high	94.4	Very high	23 Å²	23	49.8 Å²	49.8	24%	0.237	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-42.6	173.9	0	0	0	0	0	112.4	T282 F283 I284 K289 N290	T282-G286 PolarHBondContact O-N 2.66Å; F283-G286 PolarHBondContact O-N 3.04Å; F283-G286 VanDerWaalsContact O-N 3.15Å; I284-G286 VanDerWaalsContact C-N 3.33Å; I284-G286 PolarHBondContact O-N 2.68Å; G286-K289 PolarHBondContact O-N 2.78Å; G286-N290 VanDerWaalsContact O-CB 3.29Å; G286-N290 WeakPolarHBondContact O-CB 3.29Å; G286-N290 PolarHBondContact O-N 3.26Å; G286-N290 PolarHBondContact O-ND2 2.96Å
287	Q	96.6	Very high	94.1	Very high	40 Å²	40	51.9 Å²	51.9	19%	0.187	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-47.9	176.6	-63.5	-53.7	-41.6	0	0	112.2	Y249 F283 I284 Q285 K289 N290 C291 L294	Y249-Q287 HydrophobicContact CD1-CG 4.48Å; Y249-Q287 HydrophobicContact CE1-CB 4.36Å; Y249-Q287 HydrophobicContact CE1-CG 3.6Å; Y249-Q287 WeakPolarHBondContact OH-CB 3.27Å; F283-Q287 HydrophobicContact CD1-CG 4.03Å; F283-Q287 HydrophobicContact CE1-CG 3.64Å; F283-Q287 HydrophobicContact CZ-CG 3.94Å; F283-Q287 WeakPolarHBondContact O-CG 3.47Å; F283-Q287 PolarHBondContact O-N 3.3Å; I284-Q287 WeakPolarHBondContact O-CB 3.49Å; I284-Q287 PolarHBondContact O-N 3.29Å; I284-Q287 VanDerWaalsContact O-N 3.13Å; Q285-Q287 VanDerWaalsContact C-N 3.32Å; Q285-Q287 PolarHBondContact O-N 3.35Å; Q287-K289 PolarHBondContact O-N 2.98Å; Q287-N290 PolarHBondContact O-N 3.21Å; Q287-C291 WeakPolarHBondContact O-CB 3.32Å; Q287-C291 PolarHBondContact O-N 3.4Å; Q287-L294 HydrophobicContact CB-CD1 4.21Å
288	I	96.5	Very high	93.9	Very high	20 Å²	20	52.8 Å²	52.8	10%	0.103	31%	0.314	C	S	.	.	H	α-helix	trans	-57.4	-37.6	178.2	-70	172	0	0	0	111.3	I284 Q285 K301 L304 Q305 L308	I284-I288 HydrophobicContact CG2-CD1 3.86Å; I284-I288 HydrophobicContact CG2-CG1 4.36Å; I284-I288 WeakPolarHBondContact O-CG1 3.45Å; I284-I288 PolarHBondContact O-N 3.47Å; Q285-I288 PolarHBondContact O-N 3.08Å; I288-K301 HydrophobicContact CG2-CG 4.25Å; I288-L304 HydrophobicContact CD1-CB 3.98Å; I288-L304 HydrophobicContact CG1-CB 4.04Å; I288-Q305 HydrophobicContact CD1-CB 4.34Å; I288-L308 HydrophobicContact CD1-CD2 4.1Å
289	K	95.3	Very high	94	Very high	172 Å²	172	53.5 Å²	53.5	75%	0.748	32%	0.32	S	S	*	.	H	α-helix	trans	-77.7	-44.2	-179	-171.8	-178.7	176.4	-180	0	113	Q285 G286 Q287	Q285-K289 WeakPolarHBondContact O-CB 3.33Å; Q285-K289 PolarHBondContact O-N 3.1Å; G286-K289 PolarHBondContact O-N 2.78Å; Q287-K289 PolarHBondContact O-N 2.98Å
290	N	94.8	Very high	94	Very high	124 Å²	124	53.3 Å²	53.3	66%	0.663	32%	0.319	S	S	*	.	H	α-helix	trans	-107.8	-15.3	-164.3	-58.1	-33.9	0	0	0	114.1	G286 Q287 S292	G286-N290 VanDerWaalsContact O-CB 3.29Å; G286-N290 WeakPolarHBondContact O-CB 3.29Å; G286-N290 PolarHBondContact O-N 3.26Å; G286-N290 PolarHBondContact O-ND2 2.96Å; Q287-N290 PolarHBondContact O-N 3.21Å; N290-S292 PolarHBondContact O-N 3.44Å
291	C	92.7	Very high	94	Very high	16 Å²	16	56.4 Å²	56.4	11%	0.108	33%	0.33	C	S	.	.			trans	-82.1	107.7	-176.8	-169.8	0	0	0	0	111.7	Q287 L293 L294 A295	Q287-C291 WeakPolarHBondContact O-CB 3.32Å; Q287-C291 PolarHBondContact O-N 3.4Å; C291-L293 PolarHBondContact O-N 2.9Å; C291-L293 VanDerWaalsContact O-N 3.15Å; C291-L294 HydrophobicContact CB-CB 4.27Å; C291-L294 HydrophobicContact CB-CD1 3.95Å; C291-L294 HydrophobicContact CB-CG 4.03Å; C291-L294 PolarHBondContact O-N 3.39Å; C291-L294 VanDerWaalsContact O-N 3.07Å; C291-A295 PolarHBondContact O-N 3.31Å
292	S	90.3	Very high	94	Very high	74 Å²	74	59 Å²	59	52%	0.517	35%	0.348	S	S	.	.	H	α-helix	trans	-55.6	-30.9	177	56.3	0	0	0	0	114	N290 A295 G296	N290-S292 PolarHBondContact O-N 3.44Å; S292-A295 PolarHBondContact O-N 3.24Å; S292-G296 PolarHBondContact O-N 2.93Å
293	L	90.4	Very high	94.1	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-41.5	177.4	-177.2	67.4	0	0	0	112	I253 V256 L267 C291 A295 G296 F297	I253-L293 HydrophobicContact CD1-CD2 3.89Å; V256-L293 HydrophobicContact CB-CD2 3.86Å; V256-L293 HydrophobicContact CG1-CD1 3.71Å; V256-L293 HydrophobicContact CG1-CD2 3.64Å; V256-L293 HydrophobicContact CG1-CG 4.31Å; L267-L293 HydrophobicContact CD1-CD2 3.93Å; L267-L293 HydrophobicContact CD2-CD1 4.34Å; L267-L293 HydrophobicContact CD2-CD2 3.61Å; L267-L293 HydrophobicContact CD2-CG 3.6Å; L267-L293 HydrophobicContact CG-CD2 4.4Å; C291-L293 PolarHBondContact O-N 2.9Å; C291-L293 VanDerWaalsContact O-N 3.15Å; L293-A295 VanDerWaalsContact C-N 3.35Å; L293-G296 PolarHBondContact O-N 3.25Å; L293-F297 PolarHBondContact O-N 3.09Å
294	L	91.4	Very high	94.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-71	-31.4	177	-66.4	177.9	0	0	0	112.1	L267 L271 Q287 C291 G296 F297 A300 K301 L304	L267-L294 HydrophobicContact CD2-CD2 4.26Å; L271-L294 HydrophobicContact CD1-CD2 4.19Å; Q287-L294 HydrophobicContact CB-CD1 4.21Å; C291-L294 HydrophobicContact CB-CB 4.27Å; C291-L294 HydrophobicContact CB-CD1 3.95Å; C291-L294 HydrophobicContact CB-CG 4.03Å; C291-L294 PolarHBondContact O-N 3.39Å; C291-L294 VanDerWaalsContact O-N 3.07Å; L294-G296 PolarHBondContact O-N 2.91Å; L294-F297 PolarHBondContact O-N 3.21Å; L294-A300 HydrophobicContact CD2-CB 3.8Å; L294-K301 HydrophobicContact CB-CB 4.45Å; L294-L304 HydrophobicContact CD1-CD1 3.54Å; L294-L304 HydrophobicContact CD2-CD1 3.95Å; L294-L304 HydrophobicContact CG-CD1 4.42Å
295	A	88	Confident	94.1	Very high	74 Å²	74	57.5 Å²	57.5	61%	0.612	33%	0.334	S	S	*	.	H	α-helix	trans	-61.3	-35.2	175.7	0	0	0	0	0	112.2	C291 S292 L293	C291-A295 PolarHBondContact O-N 3.31Å; S292-A295 PolarHBondContact O-N 3.24Å; L293-A295 VanDerWaalsContact C-N 3.35Å
296	G	86	Confident	94.1	Very high	70 Å²	70	56.6 Å²	56.6	72%	0.722	33%	0.334	S	S	*	.	H	α-helix	trans	-87.3	-10.3	178.3	0	0	0	0	0	115.4	S292 L293 L294	S292-G296 PolarHBondContact O-N 2.93Å; L293-G296 PolarHBondContact O-N 3.25Å; L294-G296 PolarHBondContact O-N 2.91Å
297	F	90.8	Very high	94.2	Very high	48 Å²	48	55.7 Å²	55.7	21%	0.211	32%	0.323	C	S	.	.			trans	-131.4	85	-174.9	-166.2	-117.1	0	0	0	112	L267 L268 L293 L294 P299 A300 K301	L267-F297 HydrophobicContact CB-CD1 4.09Å; L267-F297 HydrophobicContact CB-CE1 4.16Å; L267-F297 HydrophobicContact CD2-CB 4.45Å; L267-F297 HydrophobicContact CD2-CD1 3.97Å; L267-F297 HydrophobicContact CG-CD1 4.35Å; L268-F297 HydrophobicContact CB-CE1 3.89Å; L268-F297 HydrophobicContact CB-CZ 4.49Å; L293-F297 PolarHBondContact O-N 3.09Å; L294-F297 PolarHBondContact O-N 3.21Å; F297-P299 VanDerWaalsContact C-CD 3.46Å; F297-P299 HydrophobicContact CE1-CB 4.31Å; F297-P299 HydrophobicContact CE2-CG 4.35Å; F297-P299 HydrophobicContact CZ-CB 4.36Å; F297-P299 HydrophobicContact CZ-CG 4.25Å; F297-A300 HydrophobicContact CD1-CB 3.48Å; F297-A300 VanDerWaalsContact CD1-CB 3.48Å; F297-A300 HydrophobicContact CE1-CB 4Å; F297-A300 PolarHBondContact O-N 3.39Å; F297-K301 PolarHBondContact O-N 2.94Å
298	T	92	Very high	94.2	Very high	94 Å²	94	54.2 Å²	54.2	58%	0.577	32%	0.316	S	S	*	.	H	α-helix	trans	-52.7	-43	-174.7	-46.8	0	0	0	0	114.6	A300 K301 S302	T298-A300 PolarHBondContact O-N 3.29Å; T298-K301 WeakPolarHBondContact O-CB 3.49Å; T298-K301 PolarHBondContact O-N 3.28Å; T298-K301 VanDerWaalsContact O-N 3.13Å; T298-S302 PolarHBondContact O-N 3.19Å; T298-S302 PolarHBondContact O-OG 3Å
299	P	95.1	Very high	94.3	Very high	64 Å²	64	55.8 Å²	55.8	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-58.8	-42.6	-178.6	-26.2	36.2	0	0	0	113.6	L268 F297 S302 H303	L268-P299 HydrophobicContact CD2-CB 3.98Å; F297-P299 VanDerWaalsContact C-CD 3.46Å; F297-P299 HydrophobicContact CE1-CB 4.31Å; F297-P299 HydrophobicContact CE2-CG 4.35Å; F297-P299 HydrophobicContact CZ-CB 4.36Å; F297-P299 HydrophobicContact CZ-CG 4.25Å; P299-S302 PolarHBondContact O-N 2.85Å; P299-H303 WeakPolarHBondContact O-CB 3.14Å; P299-H303 PolarHBondContact O-N 3.33Å
300	A	95.9	Very high	94.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-40.3	175.7	0	0	0	0	0	112.2	L267 L271 L294 F297 T298 H303 L304	L267-A300 HydrophobicContact CD2-CB 3.91Å; L267-A300 HydrophobicContact CG-CB 3.98Å; L271-A300 HydrophobicContact CD1-CB 3.84Å; L294-A300 HydrophobicContact CD2-CB 3.8Å; F297-A300 HydrophobicContact CD1-CB 3.48Å; F297-A300 VanDerWaalsContact CD1-CB 3.48Å; F297-A300 HydrophobicContact CE1-CB 4Å; F297-A300 PolarHBondContact O-N 3.39Å; T298-A300 PolarHBondContact O-N 3.29Å; A300-H303 PolarHBondContact O-N 3.23Å; A300-L304 PolarHBondContact O-N 3.42Å; A300-L304 VanDerWaalsContact O-N 3.07Å
301	K	96.3	Very high	94.5	Very high	84 Å²	84	43.2 Å²	43.2	37%	0.365	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-45.8	176.6	-173	179.7	-179.7	179.2	0	111.6	I288 L294 F297 T298 H303 L304 Q305	I288-K301 HydrophobicContact CG2-CG 4.25Å; L294-K301 HydrophobicContact CB-CB 4.45Å; F297-K301 PolarHBondContact O-N 2.94Å; T298-K301 WeakPolarHBondContact O-CB 3.49Å; T298-K301 PolarHBondContact O-N 3.28Å; T298-K301 VanDerWaalsContact O-N 3.13Å; K301-H303 VanDerWaalsContact C-N 3.35Å; K301-L304 PolarHBondContact O-N 2.94Å; K301-Q305 WeakPolarHBondContact O-CB 3.46Å; K301-Q305 PolarHBondContact O-N 2.99Å
302	S	96.9	Very high	94.7	Very high	58 Å²	58	45.5 Å²	45.5	41%	0.406	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-39.4	176.6	-66.2	0	0	0	0	112.2	T298 P299 Q305 N306	T298-S302 PolarHBondContact O-N 3.19Å; T298-S302 PolarHBondContact O-OG 3Å; P299-S302 PolarHBondContact O-N 2.85Å; S302-Q305 PolarHBondContact O-N 2.8Å; S302-N306 VanDerWaalsContact O-CG 3.28Å; S302-N306 PolarHBondContact O-N 3.35Å; S302-N306 PolarHBondContact O-ND2 3.11Å
303	H	97.4	Very high	95.1	Very high	48 Å²	48	47.3 Å²	47.3	22%	0.222	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-50.4	174.3	175.2	72.7	0	0	0	111.8	L268 P299 A300 K301 Q305 N306 I307	L268-H303 HydrophobicContact CD1-CB 3.67Å; P299-H303 WeakPolarHBondContact O-CB 3.14Å; P299-H303 PolarHBondContact O-N 3.33Å; A300-H303 PolarHBondContact O-N 3.23Å; K301-H303 VanDerWaalsContact C-N 3.35Å; H303-Q305 VanDerWaalsContact C-N 3.33Å; H303-Q305 PolarHBondContact O-N 3.09Å; H303-N306 PolarHBondContact O-N 3.3Å; H303-I307 WeakPolarHBondContact NE2-CD1 3.38Å; H303-I307 WeakPolarHBondContact O-CG1 3.43Å; H303-I307 PolarHBondContact O-N 2.82Å
304	L	97.8	Very high	95.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-34.7	176.8	-69	177.9	0	0	0	112.9	Y249 L271 C276 I284 I288 L294 A300 K301 I307 L308	Y249-L304 HydrophobicContact CE2-CD1 4.16Å; Y249-L304 HydrophobicContact CE2-CD2 4.49Å; L271-L304 HydrophobicContact CD1-CD1 4.09Å; L271-L304 HydrophobicContact CD1-CG 4.25Å; C276-L304 HydrophobicContact CB-CD2 4.34Å; I284-L304 HydrophobicContact CG2-CB 4.09Å; I288-L304 HydrophobicContact CD1-CB 3.98Å; I288-L304 HydrophobicContact CG1-CB 4.04Å; L294-L304 HydrophobicContact CD1-CD1 3.54Å; L294-L304 HydrophobicContact CD2-CD1 3.95Å; L294-L304 HydrophobicContact CG-CD1 4.42Å; A300-L304 PolarHBondContact O-N 3.42Å; A300-L304 VanDerWaalsContact O-N 3.07Å; K301-L304 PolarHBondContact O-N 2.94Å; L304-I307 PolarHBondContact O-N 2.88Å; L304-L308 WeakPolarHBondContact O-CB 3.38Å; L304-L308 PolarHBondContact O-N 3.33Å
305	Q	98	Very high	95.6	Very high	71 Å²	71	54.7 Å²	54.7	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-41.7	175.6	-174	63	58.3	0	0	111.7	I288 K301 S302 H303 I307 L308 D309	I288-Q305 HydrophobicContact CD1-CB 4.34Å; K301-Q305 WeakPolarHBondContact O-CB 3.46Å; K301-Q305 PolarHBondContact O-N 2.99Å; S302-Q305 PolarHBondContact O-N 2.8Å; H303-Q305 VanDerWaalsContact C-N 3.33Å; H303-Q305 PolarHBondContact O-N 3.09Å; Q305-I307 VanDerWaalsContact C-N 3.33Å; Q305-I307 PolarHBondContact O-N 2.98Å; Q305-L308 PolarHBondContact O-N 3.22Å; Q305-D309 PolarHBondContact NE2-OD1 3.08Å; Q305-D309 WeakPolarHBondContact O-CB 3.28Å; Q305-D309 PolarHBondContact O-N 3.01Å
306	N	98	Very high	95.8	Very high	99 Å²	99	54.9 Å²	54.9	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-41.6	176.6	-69.3	-18.7	0	0	0	111.6	S302 H303 D309 D310	S302-N306 VanDerWaalsContact O-CG 3.28Å; S302-N306 PolarHBondContact O-N 3.35Å; S302-N306 PolarHBondContact O-ND2 3.11Å; H303-N306 PolarHBondContact O-N 3.3Å; N306-D309 WeakPolarHBondContact O-CB 3.38Å; N306-D309 PolarHBondContact O-N 3.42Å; N306-D310 PolarHBondContact O-N 3.39Å
307	I	97.5	Very high	96	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-48.6	175.3	-67.8	174.6	0	0	0	110.5	C276 Y277 I284 H303 L304 Q305 D309 D310 L311	C276-I307 HydrophobicContact CB-CD1 3.59Å; Y277-I307 HydrophobicContact CD1-CB 4.5Å; Y277-I307 HydrophobicContact CD1-CG2 3.71Å; Y277-I307 HydrophobicContact CE1-CB 4.1Å; Y277-I307 HydrophobicContact CE1-CG1 3.97Å; Y277-I307 HydrophobicContact CE1-CG2 3.8Å; Y277-I307 HydrophobicContact CE2-CD1 4.33Å; Y277-I307 HydrophobicContact CE2-CG1 3.98Å; Y277-I307 HydrophobicContact CG-CG2 4.19Å; I284-I307 HydrophobicContact CD1-CG2 3.79Å; H303-I307 WeakPolarHBondContact NE2-CD1 3.38Å; H303-I307 WeakPolarHBondContact O-CG1 3.43Å; H303-I307 PolarHBondContact O-N 2.82Å; L304-I307 PolarHBondContact O-N 2.88Å; Q305-I307 VanDerWaalsContact C-N 3.33Å; Q305-I307 PolarHBondContact O-N 2.98Å; I307-D309 VanDerWaalsContact C-N 3.29Å; I307-D309 PolarHBondContact O-N 3.24Å; I307-D310 PolarHBondContact O-N 3.36Å; I307-L311 HydrophobicContact CG2-CD1 3.93Å; I307-L311 HydrophobicContact CG2-CG 4.4Å; I307-L311 VanDerWaalsContact O-CG 3.31Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 3.5Å
308	L	97.9	Very high	95.7	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-56.7	-46.1	177.4	179.7	60.4	0	0	0	111.3	P281 I284 Q285 I288 L304 Q305 D310 L311 I312	P281-L308 HydrophobicContact CB-CD1 3.65Å; I284-L308 HydrophobicContact CB-CD1 4.45Å; I284-L308 HydrophobicContact CG2-CB 4.06Å; Q285-L308 HydrophobicContact CB-CD2 4.11Å; Q285-L308 HydrophobicContact CG-CD2 4.47Å; I288-L308 HydrophobicContact CD1-CD2 4.1Å; L304-L308 WeakPolarHBondContact O-CB 3.38Å; L304-L308 PolarHBondContact O-N 3.33Å; Q305-L308 PolarHBondContact O-N 3.22Å; L308-D310 VanDerWaalsContact C-N 3.35Å; L308-D310 PolarHBondContact O-N 2.99Å; L308-L311 PolarHBondContact O-N 3.16Å; L308-I312 HydrophobicContact CD1-CD1 3.68Å; L308-I312 HydrophobicContact CD1-CG1 4.11Å; L308-I312 HydrophobicContact CG-CD1 3.82Å; L308-I312 WeakPolarHBondContact O-CB 3.45Å; L308-I312 WeakPolarHBondContact O-CG1 3.22Å; L308-I312 PolarHBondContact O-N 3.31Å
309	D	98.1	Very high	95.3	Very high	54 Å²	54	55.2 Å²	55.2	29%	0.289	28%	0.282	S	S	.	.	H	α-helix	trans	-58.7	-44.4	176.8	-93.1	41.5	0	0	0	112.3	Q305 N306 I307 K313	Q305-D309 PolarHBondContact NE2-OD1 3.08Å; Q305-D309 WeakPolarHBondContact O-CB 3.28Å; Q305-D309 PolarHBondContact O-N 3.01Å; N306-D309 WeakPolarHBondContact O-CB 3.38Å; N306-D309 PolarHBondContact O-N 3.42Å; I307-D309 VanDerWaalsContact C-N 3.29Å; I307-D309 PolarHBondContact O-N 3.24Å; D309-K313 VanDerWaalsContact O-CB 3.22Å; D309-K313 WeakPolarHBondContact O-CB 3.44Å; D309-K313 WeakPolarHBondContact O-CD 3.4Å; D309-K313 WeakPolarHBondContact O-CG 3.34Å; D309-K313 PolarHBondContact O-N 3.46Å; D309-K313 IonicContact OD2-NZ 2.85Å; D309-K313 PolarHBondContact OD2-NZ 3.24Å
310	D	97.9	Very high	94.7	Very high	22 Å²	22	58.1 Å²	58.1	12%	0.118	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-41.8	178.5	-66.2	-23.9	0	0	0	111.9	Y277 N306 I307 L308 K313 H314 R315 I317	Y277-D310 HydrophobicContact CE1-CB 4.03Å; Y277-D310 PolarHBondContact OH-OD2 2.88Å; N306-D310 PolarHBondContact O-N 3.39Å; I307-D310 PolarHBondContact O-N 3.36Å; L308-D310 VanDerWaalsContact C-N 3.35Å; L308-D310 PolarHBondContact O-N 2.99Å; D310-K313 PolarHBondContact O-N 3.37Å; D310-H314 PolarHBondContact O-N 2.86Å; D310-R315 HydrophobicContact CB-CB 4.32Å; D310-R315 PolarHBondContact O-N 2.89Å; D310-R315 WeakPolarHBondContact OD1-CD 3.37Å; D310-R315 IonicContact OD1-CZ 3.42Å; D310-R315 VanDerWaalsContact OD1-CZ 3.3Å; D310-R315 IonicContact OD1-NE 2.8Å; D310-R315 IonicContact OD1-NH1 2.68Å; D310-R315 PolarHBondContact OD1-NH1 3.21Å; D310-I317 HydrophobicContact CB-CD1 3.64Å
311	L	97.1	Very high	94.1	Very high	10 Å²	10	65.5 Å²	65.5	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-66.8	-45.6	179.9	-68.3	171.8	0	0	0	112.1	Y277 P281 I284 I307 L308 K313 H314 R472	Y277-L311 HydrophobicContact CD1-CD2 4.14Å; Y277-L311 HydrophobicContact CD1-CG 4.31Å; P281-L311 HydrophobicContact CG-CB 4.06Å; P281-L311 HydrophobicContact CG-CD1 4.3Å; I284-L311 HydrophobicContact CD1-CD1 3.73Å; I307-L311 HydrophobicContact CG2-CD1 3.93Å; I307-L311 HydrophobicContact CG2-CG 4.4Å; I307-L311 VanDerWaalsContact O-CG 3.31Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 3.5Å; L308-L311 PolarHBondContact O-N 3.16Å; L311-K313 VanDerWaalsContact C-N 3.3Å; L311-K313 PolarHBondContact O-N 2.95Å; L311-H314 PolarHBondContact O-N 2.85Å; L311-H314 VanDerWaalsContact O-N 3.17Å; L311-R472 PolarHBondContact O-NH1 2.92Å
312	I	97.1	Very high	93.7	Very high	64 Å²	64	62.8 Å²	62.8	33%	0.328	31%	0.314	S	S	.	.	H	α-helix	trans	-66.7	-34.4	178.1	-70.4	174.2	0	0	0	110.9	P281 L308 H314 E495	P281-I312 HydrophobicContact CB-CG1 4.41Å; L308-I312 HydrophobicContact CD1-CD1 3.68Å; L308-I312 HydrophobicContact CD1-CG1 4.11Å; L308-I312 HydrophobicContact CG-CD1 3.82Å; L308-I312 WeakPolarHBondContact O-CB 3.45Å; L308-I312 WeakPolarHBondContact O-CG1 3.22Å; L308-I312 PolarHBondContact O-N 3.31Å; I312-H314 PolarHBondContact O-N 3.46Å; I312-E495 HydrophobicContact CG2-CG 4.23Å
313	K	97.3	Very high	92.9	Very high	112 Å²	112	63.3 Å²	63.3	49%	0.487	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	7.7	176.7	-67.3	167.2	-173.3	155.3	0	112.8	D309 D310 L311 R315	D309-K313 VanDerWaalsContact O-CB 3.22Å; D309-K313 WeakPolarHBondContact O-CB 3.44Å; D309-K313 WeakPolarHBondContact O-CD 3.4Å; D309-K313 WeakPolarHBondContact O-CG 3.34Å; D309-K313 PolarHBondContact O-N 3.46Å; D309-K313 IonicContact OD2-NZ 2.85Å; D309-K313 PolarHBondContact OD2-NZ 3.24Å; D310-K313 PolarHBondContact O-N 3.37Å; L311-K313 VanDerWaalsContact C-N 3.3Å; L311-K313 PolarHBondContact O-N 2.95Å; K313-R315 HydrophobicContact CB-CG 4.25Å; K313-R315 PolarHBondContact O-N 3.21Å; K313-R315 VanDerWaalsContact O-N 3.16Å
314	H	96.3	Very high	91.8	Very high	29 Å²	29	61.4 Å²	61.4	13%	0.134	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	37.4	178.1	-54.5	-57.7	0	0	0	113	D310 L311 I312 N471 R472 L473 D493	D310-H314 PolarHBondContact O-N 2.86Å; L311-H314 PolarHBondContact O-N 2.85Å; L311-H314 VanDerWaalsContact O-N 3.17Å; I312-H314 PolarHBondContact O-N 3.46Å; H314-N471 HydrophobicContact CB-CB 4.45Å; H314-N471 WeakPolarHBondContact CB-O 3.5Å; H314-N471 PolarHBondContact ND1-O 2.67Å; H314-R472 PolarHBondContact CE1-NH1 2.79Å; H314-L473 HydrophobicContact CB-CD1 4.05Å; H314-L473 HydrophobicContact CB-CG 4.3Å; H314-D493 IonicContact CD2-OD2 3.29Å; H314-D493 IonicContact CE1-OD1 3.05Å; H314-D493 PolarHBondContact CE1-OD1 2.95Å; H314-D493 VanDerWaalsContact NE2-CG 3.27Å; H314-D493 IonicContact NE2-OD1 2.73Å; H314-D493 PolarHBondContact NE2-OD1 3.46Å; H314-D493 IonicContact NE2-OD2 2.94Å; H314-D493 PolarHBondContact NE2-OD2 3.19Å
315	R	95.5	Very high	90.4	Very high	134 Å²	134	64.1 Å²	64.1	51%	0.506	34%	0.335	S	S	.	.			trans	-68	141	179.3	-69.2	-171.1	-179.5	167.1	5.3	110.1	D310 K313 I317	D310-R315 HydrophobicContact CB-CB 4.32Å; D310-R315 PolarHBondContact O-N 2.89Å; D310-R315 WeakPolarHBondContact OD1-CD 3.37Å; D310-R315 IonicContact OD1-CZ 3.42Å; D310-R315 VanDerWaalsContact OD1-CZ 3.3Å; D310-R315 IonicContact OD1-NE 2.8Å; D310-R315 IonicContact OD1-NH1 2.68Å; D310-R315 PolarHBondContact OD1-NH1 3.21Å; K313-R315 HydrophobicContact CB-CG 4.25Å; K313-R315 PolarHBondContact O-N 3.21Å; K313-R315 VanDerWaalsContact O-N 3.16Å; R315-I317 HydrophobicContact CB-CD1 4.41Å; R315-I317 HydrophobicContact CB-CG1 4.41Å; R315-I317 PolarHBondContact O-N 3.06Å
316	H	92.3	Very high	89	Confident	79 Å²	79	62.4 Å²	62.4	37%	0.366	33%	0.331	S	S	.	.			trans	-68	118.6	171.8	176.1	-100	0	0	0	109.9	E519	H316-E519 IonicContact CE1-OE1 3.49Å; H316-E519 IonicContact ND1-OE1 3.94Å; H316-E519 WeakPolarHBondContact NE2-CG 3.22Å
317	I	90.8	Very high	87.9	Confident	38 Å²	38	62.6 Å²	62.6	20%	0.195	33%	0.33	C	S	.	.			trans	-134.2	129.2	-178.4	-61.9	157.3	0	0	0	107.6	Y277 D310 R315 I319	Y277-I317 HydrophobicContact CD1-CD1 3.44Å; Y277-I317 VanDerWaalsContact CD1-CD1 3.44Å; Y277-I317 HydrophobicContact CD1-CG1 4.42Å; Y277-I317 HydrophobicContact CD1-CG2 3.97Å; Y277-I317 HydrophobicContact CD2-CG2 4.13Å; Y277-I317 HydrophobicContact CE1-CD1 3.23Å; Y277-I317 HydrophobicContact CE1-CG1 4.19Å; Y277-I317 HydrophobicContact CE1-CG2 4.19Å; Y277-I317 HydrophobicContact CE2-CG2 4.32Å; Y277-I317 HydrophobicContact CG-CD1 4.46Å; Y277-I317 HydrophobicContact CG-CG2 3.94Å; D310-I317 HydrophobicContact CB-CD1 3.64Å; R315-I317 HydrophobicContact CB-CD1 4.41Å; R315-I317 HydrophobicContact CB-CG1 4.41Å; R315-I317 PolarHBondContact O-N 3.06Å; I317-I319 HydrophobicContact CG2-CG1 4.46Å; I317-I319 PolarHBondContact O-N 3.22Å
318	S	85.8	Confident	87.4	Confident	101 Å²	101	67.3 Å²	67.3	71%	0.706	35%	0.352	S	S	*	.			trans	-70.8	111.4	171.9	-58.3	0	0	0	0	109.5
319	I	83.5	Confident	87.2	Confident	80 Å²	80	67.3 Å²	67.3	41%	0.41	35%	0.352	S	S	.	.			trans	-99.2	121	-178.4	-64.2	173.6	0	0	0	109.6	T278 I317 K321	T278-I319 HydrophobicContact CG2-CG2 3.36Å; I317-I319 HydrophobicContact CG2-CG1 4.46Å; I317-I319 PolarHBondContact O-N 3.22Å; I319-K321 HydrophobicContact CG2-CG 4.18Å
320	N	82.2	Confident	87.1	Confident	124 Å²	124	64.8 Å²	64.8	66%	0.663	34%	0.338	S	S	*	.			trans	-92.7	109.1	171.1	-67.1	-24.7	0	0	0	109.9	R275	R275-N320 WeakPolarHBondContact CD-O 3.43Å; R275-N320 PolarHBondContact NH1-O 2.81Å
321	K	82.3	Confident	87.1	Confident	155 Å²	155	63.8 Å²	63.8	67%	0.674	33%	0.333	S	S	*	.			trans	-86.3	148.6	177.9	-64.1	-177.9	-177.3	176.8	0	111.8	R275 I319	R275-K321 PolarHBondContact NH1-O 2.83Å; I319-K321 HydrophobicContact CG2-CG 4.18Å
322	R	88.6	Confident	87.2	Confident	27 Å²	27	63.4 Å²	63.4	10%	0.102	33%	0.331	C	S	.	.			trans	-69.9	133.5	177.1	-68.7	-174.3	-171.9	-82.2	-4.1	109.2	I235 R237 E245 A324	I235-R322 PolarHBondContact O-NH1 2.83Å; I235-R322 PolarHBondContact O-NH2 2.84Å; R237-R322 PolarHBondContact O-NH1 3.47Å; E245-R322 IonicContact OE1-CZ 3.64Å; E245-R322 IonicContact OE1-NE 2.76Å; E245-R322 IonicContact OE1-NH2 3.71Å; E245-R322 PolarHBondContact OE1-NH2 3.38Å; E245-R322 IonicContact OE2-CZ 3.36Å; E245-R322 IonicContact OE2-NE 3.29Å; E245-R322 PolarHBondContact OE2-NE 2.93Å; E245-R322 IonicContact OE2-NH2 2.69Å; E245-R322 PolarHBondContact OE2-NH2 3.07Å; R322-A324 VanDerWaalsContact C-N 3.32Å
323	T	80.1	Confident	87.2	Confident	69 Å²	69	60.4 Å²	60.4	42%	0.423	32%	0.316	S	S	.	.			trans	-82	-17.7	177	62.4	0	0	0	0	111.4	D238 G325 S326	D238-T323 PolarHBondContact O-N 2.76Å; D238-T323 PolarHBondContact O-OG1 2.91Å; T323-G325 PolarHBondContact O-N 2.66Å; T323-G325 VanDerWaalsContact O-N 3.1Å; T323-G325 PolarHBondContact OG1-N 2.85Å; T323-S326 PolarHBondContact O-N 3.26Å; T323-S326 VanDerWaalsContact O-O 3.14Å; T323-S326 PolarHBondContact O-OG 2.72Å
324	A	73.6	Confident	87.3	Confident	9 Å²	9	55 Å²	55	7%	0.074	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	20.1	-175.5	0	0	0	0	0	113.4	D238 E239 N241 R322 S326	D238-A324 PolarHBondContact O-N 3.13Å; E239-A324 CarbonylContact O-C 3.53Å; E239-A324 VanDerWaalsContact O-CA 3.25Å; E239-A324 WeakPolarHBondContact O-CA 3.47Å; N241-A324 HydrophobicContact CB-CB 4.15Å; R322-A324 VanDerWaalsContact C-N 3.32Å; A324-S326 PolarHBondContact O-N 3.07Å
325	G	68.1	Low	87.3	Confident	57 Å²	57	53.7 Å²	53.7	59%	0.588	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	3.9	-168.7	0	0	0	0	0	113.3	T323	T323-G325 PolarHBondContact O-N 2.66Å; T323-G325 VanDerWaalsContact O-N 3.1Å; T323-G325 PolarHBondContact OG1-N 2.85Å
326	S	68.4	Low	87.4	Confident	36 Å²	36	50.9 Å²	50.9	25%	0.252	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-88.8	137.4	-178.3	65.5	0	0	0	0	109.3	T323 A324 E328	T323-S326 PolarHBondContact O-N 3.26Å; T323-S326 VanDerWaalsContact O-O 3.14Å; T323-S326 PolarHBondContact O-OG 2.72Å; A324-S326 PolarHBondContact O-N 3.07Å; S326-E328 PolarHBondContact O-N 2.89Å
327	M	75	Confident	87.5	Confident	102 Å²	102	49.4 Å²	49.4	50%	0.502	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-70.3	129.7	168.2	-69	-177	-78.9	0	0	108.4	I329 L350 G613	M327-I329 HydrophobicContact CB-CG1 4.45Å; M327-L350 HydrophobicContact CG-CD1 4.27Å; M327-L350 HydrophobicContact SD-CD1 3.71Å; M327-G613 PolarHBondContact O-N 3.15Å
328	E	88.3	Confident	87.5	Confident	103 Å²	103	56.3 Å²	56.3	48%	0.481	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	132	164.3	-74.4	-173.4	145.6	0	0	109.1	S326 W564 V610 S611	S326-E328 PolarHBondContact O-N 2.89Å; E328-W564 PolarHBondContact O-NE1 3.32Å; E328-V610 HydrophobicContact CB-CG1 3.7Å; E328-V610 HydrophobicContact CG-CG1 4.12Å; E328-S611 WeakPolarHBondContact CA-O 3.45Å
329	I	93.5	Very high	87.9	Confident	8 Å²	8	57.9 Å²	57.9	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.7	-176.1	-61.6	-171.4	0	0	0	108.3	M327 Y331 C346 Y347 N348 V610 S611	M327-I329 HydrophobicContact CB-CG1 4.45Å; I329-Y331 HydrophobicContact CB-CE2 4.4Å; I329-C346 HydrophobicContact CG2-CB 3.65Å; I329-Y347 WeakPolarHBondContact CG2-O 3.39Å; I329-N348 HydrophobicContact CD1-CB 4.46Å; I329-V610 WeakPolarHBondContact O-CA 3.29Å; I329-S611 PolarHBondContact N-O 3Å; I329-S611 PolarHBondContact O-N 3.45Å
330	L	96.7	Very high	88.5	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.6	174.7	-72.3	146.3	0	0	0	109.6	C346 Y347 P349 W564 W569 F571 V608 V610	L330-C346 CarbonylContact O-C 3.56Å; L330-C346 WeakPolarHBondContact O-CA 3.3Å; L330-C346 WeakPolarHBondContact O-CB 3.35Å; L330-Y347 HydrophobicContact CD1-CD1 3.86Å; L330-Y347 HydrophobicContact CD1-CE1 4.47Å; L330-Y347 PolarHBondContact N-O 3.1Å; L330-Y347 VanDerWaalsContact N-O 3.11Å; L330-Y347 PolarHBondContact O-N 2.78Å; L330-P349 HydrophobicContact CD1-CG 3.74Å; L330-W564 HydrophobicContact CD1-CB 4.33Å; L330-W564 HydrophobicContact CD1-CG 4.49Å; L330-W569 HydrophobicContact CD1-CD2 4.16Å; L330-W569 HydrophobicContact CD1-CE3 4.16Å; L330-W569 HydrophobicContact CD1-CG 4.49Å; L330-F571 HydrophobicContact CD1-CZ 3.87Å; L330-F571 HydrophobicContact CD2-CE2 4.2Å; L330-F571 HydrophobicContact CD2-CZ 4.02Å; L330-F571 HydrophobicContact CG-CZ 4.4Å; L330-V608 HydrophobicContact CB-CG1 4.37Å; L330-V608 HydrophobicContact CD2-CG1 3.71Å; L330-V610 HydrophobicContact CD2-CG2 3.44Å; L330-V610 VanDerWaalsContact CD2-CG2 3.44Å; L330-V610 HydrophobicContact CG-CG2 3.94Å
331	Y	97.8	Very high	89.2	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.7	174.2	-71	-93.9	0	0	0	109.5	I329 F344 E345 C346 L357 V376 Y398 V608 V609 R612 P614	I329-Y331 HydrophobicContact CB-CE2 4.4Å; Y331-F344 HydrophobicContact CD1-CE1 4.11Å; Y331-F344 AromaticContact CD1-CE2 3.88Å; Y331-F344 HydrophobicContact CD1-CE2 3.88Å; Y331-F344 AromaticContact CD1-CZ 3.38Å; Y331-F344 HydrophobicContact CD1-CZ 3.38Å; Y331-F344 HydrophobicContact CE1-CE1 4.43Å; Y331-F344 HydrophobicContact CE1-CZ 4.04Å; Y331-F344 HydrophobicContact CG-CE2 4.4Å; Y331-F344 HydrophobicContact CG-CZ 4.21Å; Y331-E345 CarbonylContact C-O 3.59Å; Y331-E345 WeakPolarHBondContact CA-O 3.44Å; Y331-C346 HydrophobicContact CD1-CB 3.88Å; Y331-C346 HydrophobicContact CE1-CB 3.97Å; Y331-C346 HydrophobicContact CG-CB 4.37Å; Y331-L357 HydrophobicContact CD1-CD1 3.66Å; Y331-L357 HydrophobicContact CE1-CD1 3.44Å; Y331-L357 VanDerWaalsContact CE1-CD1 3.44Å; Y331-V376 HydrophobicContact CD1-CG2 4.44Å; Y331-V376 HydrophobicContact CD2-CG2 3.9Å; Y331-V376 HydrophobicContact CE2-CG2 4.23Å; Y331-V376 HydrophobicContact CG-CG2 4.01Å; Y331-Y398 HydrophobicContact CE1-CD1 4.3Å; Y331-Y398 AromaticContact CE1-CE1 3.75Å; Y331-Y398 HydrophobicContact CE1-CE1 3.75Å; Y331-V608 CarbonylContact O-C 3.6Å; Y331-V608 WeakPolarHBondContact O-CA 3.4Å; Y331-V609 PolarHBondContact N-O 3.23Å; Y331-V609 PolarHBondContact O-N 2.78Å; Y331-R612 WeakPolarHBondContact CE2-O 3.32Å; Y331-R612 PolarHBondContact OH-O 2.8Å; Y331-P614 VanDerWaalsContact OH-CD 3.27Å; Y331-P614 WeakPolarHBondContact OH-CD 3.41Å
332	S	97.9	Very high	89.9	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.9	172.7	158.6	0	0	0	0	109.7	F344 E345 K603 A607	S332-F344 WeakPolarHBondContact O-CA 3.21Å; S332-F344 WeakPolarHBondContact O-CD2 3.33Å; S332-E345 PolarHBondContact N-O 2.95Å; S332-E345 PolarHBondContact O-N 3.1Å; S332-K603 PolarHBondContact OG-NZ 2.95Å; S332-A607 CarbonylContact C-O 3.52Å; S332-A607 WeakPolarHBondContact CA-O 3.39Å
333	A	98	Very high	90.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.7	-176.7	0	0	0	0	0	112.8	A343 F344 I360 L367 L378 H606 A607	A333-A343 CarbonylContact C-O 3.51Å; A333-A343 WeakPolarHBondContact CA-O 3.2Å; A333-F344 HydrophobicContact CB-CD2 3.79Å; A333-F344 HydrophobicContact CB-CE2 4.13Å; A333-I360 HydrophobicContact CB-CG2 4.21Å; A333-L367 HydrophobicContact CB-CD1 4.27Å; A333-L378 HydrophobicContact CB-CD1 3.8Å; A333-L378 HydrophobicContact CB-CD2 3.49Å; A333-L378 VanDerWaalsContact CB-CD2 3.49Å; A333-L378 HydrophobicContact CB-CG 4.31Å; A333-H606 WeakPolarHBondContact O-CA 3.46Å; A333-H606 WeakPolarHBondContact O-CB 3.42Å; A333-A607 PolarHBondContact N-O 2.93Å; A333-A607 PolarHBondContact O-N 2.76Å
334	G	97.7	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.			trans	62.8	-143.7	174.7	0	0	0	0	0	113.2	L341 A343 R364 H606	G334-L341 WeakPolarHBondContact CA-O 3.41Å; G334-A343 PolarHBondContact N-O 3.06Å; G334-R364 WeakPolarHBondContact CA-O 3.42Å; G334-H606 WeakPolarHBondContact O-CB 3.27Å
335	G	97.7	Very high	92.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.			trans	116.1	175.8	-179	0	0	0	0	0	113	S340 L341 R364 S604	G335-S340 CarbonylContact O-C 3.53Å; G335-S340 WeakPolarHBondContact O-CA 3.28Å; G335-L341 PolarHBondContact O-N 3.42Å; G335-R364 PolarHBondContact N-O 2.88Å; G335-S604 CarbonylContact C-O 3.55Å; G335-S604 WeakPolarHBondContact CA-O 3.43Å
336	Y	96.6	Very high	93.6	Very high	75 Å²	75	36.9 Å²	36.9	29%	0.294	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-123.7	126.8	-179.1	-175.3	-100.3	0	0	0	110.1	R338 Y339 N384 F579 K603 S604	Y336-R338 VanDerWaalsContact CE2-C 3.45Å; Y336-R338 VanDerWaalsContact CZ-C 3.41Å; Y336-R338 VanDerWaalsContact CZ-CA 3.47Å; Y336-R338 WeakPolarHBondContact OH-CA 3.19Å; Y336-R338 PolarHBondContact OH-O 3.05Å; Y336-Y339 WeakPolarHBondContact CA-O 3.49Å; Y336-Y339 WeakPolarHBondContact CD2-O 3.44Å; Y336-N384 HydrophobicContact CD2-CB 4.36Å; Y336-N384 HydrophobicContact CE2-CB 3.95Å; Y336-F579 AromaticContact CD1-CE1 3.86Å; Y336-F579 HydrophobicContact CD1-CE1 3.86Å; Y336-F579 AromaticContact CD1-CZ 3.66Å; Y336-F579 HydrophobicContact CD1-CZ 3.66Å; Y336-F579 HydrophobicContact CE1-CE1 4.38Å; Y336-F579 AromaticContact CE1-CZ 3.75Å; Y336-F579 HydrophobicContact CE1-CZ 3.75Å; Y336-K603 WeakPolarHBondContact O-CA 3.15Å; Y336-S604 PolarHBondContact N-O 2.91Å; Y336-S604 PolarHBondContact O-N 2.59Å; Y336-S604 VanDerWaalsContact O-N 3.1Å
337	L	94.7	Very high	94.9	Very high	48 Å²	48	35.2 Å²	35.2	25%	0.251	16%	0.159	S	C	.	.	S	Bend	trans	-139.1	76.3	169.7	176.9	56.5	0	0	0	107	Y339 L341 F579 C601 G602	L337-Y339 PolarHBondContact N-O 2.85Å; L337-Y339 WeakPolarHBondContact O-CD1 3.49Å; L337-Y339 PolarHBondContact O-N 2.86Å; L337-L341 HydrophobicContact CB-CD1 4.21Å; L337-L341 HydrophobicContact CB-CD2 4.42Å; L337-F579 HydrophobicContact CD1-CB 4.2Å; L337-F579 HydrophobicContact CD1-CD2 3.61Å; L337-F579 HydrophobicContact CD1-CE2 4.34Å; L337-F579 HydrophobicContact CD1-CG 4.13Å; L337-C601 HydrophobicContact CD2-CB 4.12Å; L337-G602 WeakPolarHBondContact CD1-O 3.46Å; L337-G602 WeakPolarHBondContact CD2-O 3.36Å
338	R	90.3	Very high	95.8	Very high	184 Å²	184	31.3 Å²	31.3	69%	0.694	14%	0.14	S	C	*	.	S	Bend	trans	65.8	-19	-172.6	-51.5	179.9	-178.1	-167.5	-0.6	115.2	Y336 F579	Y336-R338 VanDerWaalsContact CE2-C 3.45Å; Y336-R338 VanDerWaalsContact CZ-C 3.41Å; Y336-R338 VanDerWaalsContact CZ-CA 3.47Å; Y336-R338 WeakPolarHBondContact OH-CA 3.19Å; Y336-R338 PolarHBondContact OH-O 3.05Å; R338-F579 HydrophobicContact CG-CE2 4.3Å
339	Y	94.5	Very high	95.9	Very high	133 Å²	133	27.4 Å²	27.4	52%	0.522	12%	0.124	S	C	.	.	S	Bend	trans	-142	163.4	165.1	54.2	-85.6	0	0	0	109.7	Y336 L337 L341	Y336-Y339 WeakPolarHBondContact CA-O 3.49Å; Y336-Y339 WeakPolarHBondContact CD2-O 3.44Å; L337-Y339 PolarHBondContact N-O 2.85Å; L337-Y339 WeakPolarHBondContact O-CD1 3.49Å; L337-Y339 PolarHBondContact O-N 2.86Å; Y339-L341 HydrophobicContact CD2-CD2 4.02Å; Y339-L341 HydrophobicContact CE2-CD2 3.52Å
340	S	96.8	Very high	95.7	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.042	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-72.4	133.9	175.7	-78	0	0	0	0	111.1	G335 P363 S365 R382 N384	G335-S340 CarbonylContact O-C 3.53Å; G335-S340 WeakPolarHBondContact O-CA 3.28Å; S340-P363 VanDerWaalsContact O-CB 3.31Å; S340-P363 WeakPolarHBondContact O-CB 3.33Å; S340-S365 PolarHBondContact OG-N 2.81Å; S340-S365 PolarHBondContact OG-OG 3.1Å; S340-S365 VanDerWaalsContact OG-OG 3.05Å; S340-R382 PolarHBondContact OG-O 3.04Å; S340-N384 PolarHBondContact N-O 3.16Å; S340-N384 PolarHBondContact OG-N 3.09Å; S340-N384 PolarHBondContact OG-ND2 3.1Å
341	L	96.8	Very high	95.5	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.089	17%	0.173	C	C	.	.			trans	-94.9	148.5	-175.2	-57.2	175.3	0	0	0	111.7	G334 G335 L337 Y339 A343 P363 R364 K603	G334-L341 WeakPolarHBondContact CA-O 3.41Å; G335-L341 PolarHBondContact O-N 3.42Å; L337-L341 HydrophobicContact CB-CD1 4.21Å; L337-L341 HydrophobicContact CB-CD2 4.42Å; Y339-L341 HydrophobicContact CD2-CD2 4.02Å; Y339-L341 HydrophobicContact CE2-CD2 3.52Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A343 HydrophobicContact CB-CB 4.26Å; L341-P363 WeakPolarHBondContact O-CA 3.18Å; L341-R364 PolarHBondContact O-N 2.99Å; L341-R364 VanDerWaalsContact O-N 3.09Å; L341-K603 HydrophobicContact CD1-CB 4.17Å; L341-K603 HydrophobicContact CD1-CD 4.08Å
342	S	96.6	Very high	95.2	Very high	33 Å²	33	39.4 Å²	39.4	23%	0.231	19%	0.19	C	C	.	.			trans	-91.1	3.1	167	58	0	0	0	0	113.2	F344 D359 I360	S342-F344 PolarHBondContact O-N 2.88Å; S342-D359 WeakPolarHBondContact CB-OD2 3.41Å; S342-D359 WeakPolarHBondContact O-CA 3.33Å; S342-D359 PolarHBondContact OG-OD2 3.09Å; S342-I360 PolarHBondContact O-N 3.26Å
343	A	97.2	Very high	95	Very high	10 Å²	10	46.3 Å²	46.3	8%	0.083	22%	0.22	C	C	.	.			trans	-58.3	125.9	-170.4	0	0	0	0	0	113.1	A333 G334 L341 R356	A333-A343 CarbonylContact C-O 3.51Å; A333-A343 WeakPolarHBondContact CA-O 3.2Å; G334-A343 PolarHBondContact N-O 3.06Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A343 HydrophobicContact CB-CB 4.26Å; A343-R356 VanDerWaalsContact CA-NH1 3.3Å
344	F	97.8	Very high	94.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.1	169.4	-169.7	-130.6	0	0	0	110.1	Y331 S332 A333 S342 R356 L357 P358 I360 V376 Y398 W405	Y331-F344 HydrophobicContact CD1-CE1 4.11Å; Y331-F344 AromaticContact CD1-CE2 3.88Å; Y331-F344 HydrophobicContact CD1-CE2 3.88Å; Y331-F344 AromaticContact CD1-CZ 3.38Å; Y331-F344 HydrophobicContact CD1-CZ 3.38Å; Y331-F344 HydrophobicContact CE1-CE1 4.43Å; Y331-F344 HydrophobicContact CE1-CZ 4.04Å; Y331-F344 HydrophobicContact CG-CE2 4.4Å; Y331-F344 HydrophobicContact CG-CZ 4.21Å; S332-F344 WeakPolarHBondContact O-CA 3.21Å; S332-F344 WeakPolarHBondContact O-CD2 3.33Å; A333-F344 HydrophobicContact CB-CD2 3.79Å; A333-F344 HydrophobicContact CB-CE2 4.13Å; S342-F344 PolarHBondContact O-N 2.88Å; F344-R356 WeakPolarHBondContact O-CD 3.24Å; F344-L357 HydrophobicContact CD1-CB 3.44Å; F344-L357 VanDerWaalsContact CD1-CB 3.44Å; F344-L357 HydrophobicContact CD1-CD1 3.82Å; F344-L357 HydrophobicContact CD1-CG 4.3Å; F344-L357 HydrophobicContact CE1-CB 3.97Å; F344-L357 HydrophobicContact CE1-CD1 3.54Å; F344-L357 HydrophobicContact CE1-CG 4.44Å; F344-L357 HydrophobicContact CG-CB 4.21Å; F344-L357 HydrophobicContact CZ-CD1 4.12Å; F344-L357 PolarHBondContact O-N 3.44Å; F344-P358 WeakPolarHBondContact CB-O 3.3Å; F344-P358 WeakPolarHBondContact CD1-O 3.42Å; F344-I360 HydrophobicContact CB-CG2 3.91Å; F344-I360 HydrophobicContact CD2-CG2 4.28Å; F344-I360 HydrophobicContact CG-CG2 4.24Å; F344-V376 HydrophobicContact CZ-CG1 4.49Å; F344-Y398 AromaticContact CE1-CD1 3.72Å; F344-Y398 HydrophobicContact CE1-CD1 3.72Å; F344-Y398 AromaticContact CE1-CD2 3.75Å; F344-Y398 HydrophobicContact CE1-CD2 3.75Å; F344-Y398 AromaticContact CE1-CE1 3.83Å; F344-Y398 HydrophobicContact CE1-CE1 3.83Å; F344-Y398 AromaticContact CE1-CE2 3.87Å; F344-Y398 HydrophobicContact CE1-CE2 3.87Å; F344-Y398 AromaticContact CE1-CG 3.68Å; F344-Y398 HydrophobicContact CE1-CG 3.68Å; F344-Y398 AromaticContact CE1-CZ 3.9Å; F344-Y398 AromaticContact CZ-CD1 3.83Å; F344-Y398 HydrophobicContact CZ-CD1 3.83Å; F344-Y398 HydrophobicContact CZ-CE1 4.2Å; F344-Y398 HydrophobicContact CZ-CG 4Å; F344-W405 AromaticContact CD1-CZ2 3.53Å; F344-W405 HydrophobicContact CD1-CZ2 3.53Å; F344-W405 HydrophobicContact CD2-CH2 4.46Å; F344-W405 AromaticContact CD2-CZ2 3.92Å; F344-W405 HydrophobicContact CD2-CZ2 3.92Å; F344-W405 HydrophobicContact CE1-CH2 4.25Å; F344-W405 AromaticContact CE1-CZ2 3.5Å; F344-W405 HydrophobicContact CE1-CZ2 3.5Å; F344-W405 VanDerWaalsContact CE1-CZ2 3.5Å; F344-W405 HydrophobicContact CE2-CH2 4.12Å; F344-W405 AromaticContact CE2-CZ2 3.9Å; F344-W405 HydrophobicContact CE2-CZ2 3.9Å; F344-W405 AromaticContact CG-CZ2 3.75Å; F344-W405 HydrophobicContact CG-CZ2 3.75Å; F344-W405 HydrophobicContact CZ-CH2 4Å; F344-W405 AromaticContact CZ-CZ2 3.68Å; F344-W405 HydrophobicContact CZ-CZ2 3.68Å
345	E	96.8	Very high	94.7	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	159.6	-172.2	61	-166.1	136.2	0	0	109.8	Y331 S332 W354 R355 K603	Y331-E345 CarbonylContact C-O 3.59Å; Y331-E345 WeakPolarHBondContact CA-O 3.44Å; S332-E345 PolarHBondContact N-O 2.95Å; S332-E345 PolarHBondContact O-N 3.1Å; E345-W354 HydrophobicContact CB-CE3 4.28Å; E345-W354 HydrophobicContact CG-CE3 3.73Å; E345-W354 HydrophobicContact CG-CZ3 3.74Å; E345-R355 CarbonylContact C-O 3.55Å; E345-R355 VanDerWaalsContact CA-O 3.25Å; E345-R355 WeakPolarHBondContact CA-O 3.37Å; E345-R355 WeakPolarHBondContact CB-O 3.31Å; E345-K603 IonicContact OE1-NZ 2.65Å; E345-K603 PolarHBondContact OE1-NZ 2.96Å
346	C	96.1	Very high	94.7	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.9	174.1	69.7	0	0	0	0	111.6	I329 L330 Y331 W354 R355 L357	I329-C346 HydrophobicContact CG2-CB 3.65Å; L330-C346 CarbonylContact O-C 3.56Å; L330-C346 WeakPolarHBondContact O-CA 3.3Å; L330-C346 WeakPolarHBondContact O-CB 3.35Å; Y331-C346 HydrophobicContact CD1-CB 3.88Å; Y331-C346 HydrophobicContact CE1-CB 3.97Å; Y331-C346 HydrophobicContact CG-CB 4.37Å; C346-W354 CarbonylContact O-C 3.58Å; C346-W354 WeakPolarHBondContact O-CA 3.5Å; C346-R355 PolarHBondContact N-O 3.04Å; C346-R355 PolarHBondContact O-N 2.81Å; C346-L357 HydrophobicContact CB-CD1 3.85Å
347	Y	95.7	Very high	94.6	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.2	178.2	174.9	-102.9	0	0	0	109.7	I329 L330 P349 D352 K353 W354 W569	I329-Y347 WeakPolarHBondContact CG2-O 3.39Å; L330-Y347 HydrophobicContact CD1-CD1 3.86Å; L330-Y347 HydrophobicContact CD1-CE1 4.47Å; L330-Y347 PolarHBondContact N-O 3.1Å; L330-Y347 VanDerWaalsContact N-O 3.11Å; L330-Y347 PolarHBondContact O-N 2.78Å; Y347-P349 HydrophobicContact CD1-CG 3.93Å; Y347-P349 HydrophobicContact CE1-CB 4.02Å; Y347-P349 HydrophobicContact CE1-CG 3.8Å; Y347-P349 WeakPolarHBondContact O-CD 3.4Å; Y347-D352 WeakPolarHBondContact CE2-OD1 3.34Å; Y347-D352 VanDerWaalsContact CZ-OD1 3.3Å; Y347-D352 PolarHBondContact OH-OD1 3.02Å; Y347-K353 WeakPolarHBondContact CA-O 3.5Å; Y347-W354 AromaticContact CD2-CD1 3.68Å; Y347-W354 AromaticContact CD2-CD2 3.86Å; Y347-W354 HydrophobicContact CD2-CD2 3.86Å; Y347-W354 AromaticContact CD2-CE2 3.53Å; Y347-W354 AromaticContact CD2-CG 3.92Å; Y347-W354 HydrophobicContact CD2-CG 3.92Å; Y347-W354 HydrophobicContact CD2-CZ2 4.07Å; Y347-W354 AromaticContact CD2-NE1 3.43Å; Y347-W354 AromaticContact CE2-NE1 3.94Å; Y347-W354 HydrophobicContact CG-CD2 4.17Å; Y347-W354 AromaticContact CG-CE2 3.86Å; Y347-W354 HydrophobicContact CG-CH2 4.37Å; Y347-W354 AromaticContact CG-CZ2 3.97Å; Y347-W354 HydrophobicContact CG-CZ2 3.97Å; Y347-W569 HydrophobicContact CD1-CZ3 4.3Å; Y347-W569 HydrophobicContact CE1-CE3 4.34Å; Y347-W569 AromaticContact CE1-CH2 3.77Å; Y347-W569 HydrophobicContact CE1-CH2 3.77Å; Y347-W569 AromaticContact CE1-CZ3 3.44Å; Y347-W569 HydrophobicContact CE1-CZ3 3.44Å; Y347-W569 VanDerWaalsContact CE1-CZ3 3.44Å
348	N	93.3	Very high	94.7	Very high	21 Å²	21	57.8 Å²	57.8	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109	174.8	-179.7	-15.6	0	0	0	109.6	I329 L350 T351 D352 K353	I329-N348 HydrophobicContact CD1-CB 4.46Å; N348-L350 PolarHBondContact O-N 2.77Å; N348-L350 WeakPolarHBondContact OD1-CB 3.4Å; N348-L350 PolarHBondContact OD1-N 3.16Å; N348-T351 WeakPolarHBondContact CB-OG1 3.46Å; N348-T351 PolarHBondContact O-N 2.79Å; N348-T351 PolarHBondContact OD1-N 2.86Å; N348-D352 WeakPolarHBondContact O-CA 3.42Å; N348-D352 PolarHBondContact O-N 3.04Å; N348-K353 PolarHBondContact N-O 2.62Å; N348-K353 PolarHBondContact O-N 3.34Å
349	P	91.8	Very high	95.1	Very high	21 Å²	21	52.4 Å²	52.4	14%	0.136	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.3	-178.8	-25.7	38	0	0	0	114.8	L330 Y347 W564 W569	L330-P349 HydrophobicContact CD1-CG 3.74Å; Y347-P349 HydrophobicContact CD1-CG 3.93Å; Y347-P349 HydrophobicContact CE1-CB 4.02Å; Y347-P349 HydrophobicContact CE1-CG 3.8Å; Y347-P349 WeakPolarHBondContact O-CD 3.4Å; P349-W564 HydrophobicContact CB-CD2 4.06Å; P349-W564 HydrophobicContact CB-CE3 3.94Å; P349-W564 HydrophobicContact CB-CH2 3.74Å; P349-W564 HydrophobicContact CB-CZ2 3.84Å; P349-W564 HydrophobicContact CB-CZ3 3.79Å; P349-W564 HydrophobicContact CG-CD2 3.69Å; P349-W564 HydrophobicContact CG-CE3 4.06Å; P349-W564 HydrophobicContact CG-CG 4.1Å; P349-W564 HydrophobicContact CG-CH2 4.32Å; P349-W564 HydrophobicContact CG-CZ2 3.96Å; P349-W564 HydrophobicContact CG-CZ3 4.35Å; P349-W569 HydrophobicContact CB-CH2 3.93Å; P349-W569 HydrophobicContact CB-CZ2 3.99Å; P349-W569 HydrophobicContact CG-CH2 4.29Å; P349-W569 HydrophobicContact CG-CZ2 4.3Å
350	L	89.6	Confident	95.2	Very high	118 Å²	118	46.3 Å²	46.3	62%	0.618	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-33.8	179.7	-63.5	174.4	0	0	0	112.2	M327 N348 W564	M327-L350 HydrophobicContact CG-CD1 4.27Å; M327-L350 HydrophobicContact SD-CD1 3.71Å; N348-L350 PolarHBondContact O-N 2.77Å; N348-L350 WeakPolarHBondContact OD1-CB 3.4Å; N348-L350 PolarHBondContact OD1-N 3.16Å; L350-W564 HydrophobicContact CD2-CH2 3.93Å; L350-W564 HydrophobicContact CD2-CZ2 4.38Å; L350-W564 HydrophobicContact CG-CH2 4.21Å; L350-W564 HydrophobicContact CG-CZ2 4.2Å
351	T	91.5	Very high	95.2	Very high	76 Å²	76	49.3 Å²	49.3	47%	0.466	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-6.7	178	62.2	0	0	0	0	113.1	N348 K353	N348-T351 WeakPolarHBondContact CB-OG1 3.46Å; N348-T351 PolarHBondContact O-N 2.79Å; N348-T351 PolarHBondContact OD1-N 2.86Å; T351-K353 VanDerWaalsContact C-N 3.34Å; T351-K353 WeakPolarHBondContact O-CG 3.26Å; T351-K353 PolarHBondContact O-N 3.28Å
352	D	91.9	Very high	95.1	Very high	68 Å²	68	49.6 Å²	49.6	36%	0.364	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	48.1	-175.7	-166.1	24	0	0	0	112.9	Y347 N348 T597	Y347-D352 WeakPolarHBondContact CE2-OD1 3.34Å; Y347-D352 VanDerWaalsContact CZ-OD1 3.3Å; Y347-D352 PolarHBondContact OH-OD1 3.02Å; N348-D352 WeakPolarHBondContact O-CA 3.42Å; N348-D352 PolarHBondContact O-N 3.04Å; D352-T597 WeakPolarHBondContact OD1-CB 3.28Å; D352-T597 PolarHBondContact OD1-OG1 3.45Å; D352-T597 PolarHBondContact OD2-OG1 2.94Å
353	K	93.8	Very high	95	Very high	146 Å²	146	50.3 Å²	50.3	64%	0.635	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.4	-173.9	-76.7	176.6	-175.4	-174.8	0	112.1	Y347 N348 T351	Y347-K353 WeakPolarHBondContact CA-O 3.5Å; N348-K353 PolarHBondContact N-O 2.62Å; N348-K353 PolarHBondContact O-N 3.34Å; T351-K353 VanDerWaalsContact C-N 3.34Å; T351-K353 WeakPolarHBondContact O-CG 3.26Å; T351-K353 PolarHBondContact O-N 3.28Å
354	W	95.6	Very high	95	Very high	42 Å²	42	49.9 Å²	49.9	16%	0.159	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	149.5	166	-68.9	94.8	0	0	0	111	E345 C346 Y347 F571 V583 T597 F598 M599	E345-W354 HydrophobicContact CB-CE3 4.28Å; E345-W354 HydrophobicContact CG-CE3 3.73Å; E345-W354 HydrophobicContact CG-CZ3 3.74Å; C346-W354 CarbonylContact O-C 3.58Å; C346-W354 WeakPolarHBondContact O-CA 3.5Å; Y347-W354 AromaticContact CD2-CD1 3.68Å; Y347-W354 AromaticContact CD2-CD2 3.86Å; Y347-W354 HydrophobicContact CD2-CD2 3.86Å; Y347-W354 AromaticContact CD2-CE2 3.53Å; Y347-W354 AromaticContact CD2-CG 3.92Å; Y347-W354 HydrophobicContact CD2-CG 3.92Å; Y347-W354 HydrophobicContact CD2-CZ2 4.07Å; Y347-W354 AromaticContact CD2-NE1 3.43Å; Y347-W354 AromaticContact CE2-NE1 3.94Å; Y347-W354 HydrophobicContact CG-CD2 4.17Å; Y347-W354 AromaticContact CG-CE2 3.86Å; Y347-W354 HydrophobicContact CG-CH2 4.37Å; Y347-W354 AromaticContact CG-CZ2 3.97Å; Y347-W354 HydrophobicContact CG-CZ2 3.97Å; W354-F571 AromaticContact CH2-CD1 4Å; W354-F571 HydrophobicContact CH2-CD1 4Å; W354-F571 HydrophobicContact CH2-CE1 4.02Å; W354-F571 HydrophobicContact CZ2-CD1 4.14Å; W354-F571 HydrophobicContact CZ2-CE1 4.1Å; W354-V583 HydrophobicContact CZ2-CG2 4.28Å; W354-T597 PolarHBondContact NE1-O 2.78Å; W354-F598 PolarHBondContact NE1-O 2.78Å; W354-M599 HydrophobicContact CH2-CG 3.84Å; W354-M599 HydrophobicContact CH2-SD 4.43Å; W354-M599 HydrophobicContact CZ2-CG 3.58Å
355	R	94.4	Very high	95	Very high	134 Å²	134	50.3 Å²	50.3	51%	0.506	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.5	172.4	178.3	179.7	-75.6	-155.1	-4.8	109.7	E345 C346 F616	E345-R355 CarbonylContact C-O 3.55Å; E345-R355 VanDerWaalsContact CA-O 3.25Å; E345-R355 WeakPolarHBondContact CA-O 3.37Å; E345-R355 WeakPolarHBondContact CB-O 3.31Å; C346-R355 PolarHBondContact N-O 3.04Å; C346-R355 PolarHBondContact O-N 2.81Å; R355-F616 VanDerWaalsContact CD-CZ 3.48Å
356	R	95.8	Very high	95	Very high	127 Å²	127	50.3 Å²	50.3	48%	0.479	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	140	172.6	-170.8	64.7	179.6	-151.3	-11.6	111.4	A343 F344 D359	A343-R356 VanDerWaalsContact CA-NH1 3.3Å; F344-R356 WeakPolarHBondContact O-CD 3.24Å; R356-D359 IonicContact CZ-OD1 3.49Å; R356-D359 IonicContact NE-OD1 2.72Å; R356-D359 PolarHBondContact NE-OD1 2.69Å; R356-D359 IonicContact NH2-OD1 3.46Å; R356-D359 PolarHBondContact NH2-OD1 2.73Å; R356-D359 IonicContact NH2-OD2 3.54Å; R356-D359 PolarHBondContact NH2-OD2 3.32Å
357	L	96.3	Very high	95.1	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	26%	0.257	C	S	.	.			trans	-120.1	172.2	175.2	-64.6	177.7	0	0	0	109.7	Y331 F344 C346 D359 Y398	Y331-L357 HydrophobicContact CD1-CD1 3.66Å; Y331-L357 HydrophobicContact CE1-CD1 3.44Å; Y331-L357 VanDerWaalsContact CE1-CD1 3.44Å; F344-L357 HydrophobicContact CD1-CB 3.44Å; F344-L357 VanDerWaalsContact CD1-CB 3.44Å; F344-L357 HydrophobicContact CD1-CD1 3.82Å; F344-L357 HydrophobicContact CD1-CG 4.3Å; F344-L357 HydrophobicContact CE1-CB 3.97Å; F344-L357 HydrophobicContact CE1-CD1 3.54Å; F344-L357 HydrophobicContact CE1-CG 4.44Å; F344-L357 HydrophobicContact CG-CB 4.21Å; F344-L357 HydrophobicContact CZ-CD1 4.12Å; F344-L357 PolarHBondContact O-N 3.44Å; C346-L357 HydrophobicContact CB-CD1 3.85Å; L357-D359 PolarHBondContact O-N 3.25Å; L357-Y398 HydrophobicContact CD1-CE1 4.48Å
358	P	96.1	Very high	95.2	Very high	50 Å²	50	51.3 Å²	51.3	33%	0.325	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-56.1	129.3	174.2	-25.2	35.5	0	0	0	111.2	F344 N403 W405	F344-P358 WeakPolarHBondContact CB-O 3.3Å; F344-P358 WeakPolarHBondContact CD1-O 3.42Å; P358-N403 WeakPolarHBondContact CD-OD1 3.43Å; P358-W405 PolarHBondContact O-NE1 2.96Å
359	D	98.1	Very high	95.4	Very high	72 Å²	72	51.1 Å²	51.1	39%	0.385	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-49.5	147.9	-179.9	-80.3	23.9	0	0	0	112.6	S342 R356 L357 W405	S342-D359 WeakPolarHBondContact CB-OD2 3.41Å; S342-D359 WeakPolarHBondContact O-CA 3.33Å; S342-D359 PolarHBondContact OG-OD2 3.09Å; R356-D359 IonicContact CZ-OD1 3.49Å; R356-D359 IonicContact NE-OD1 2.72Å; R356-D359 PolarHBondContact NE-OD1 2.69Å; R356-D359 IonicContact NH2-OD1 3.46Å; R356-D359 PolarHBondContact NH2-OD1 2.73Å; R356-D359 IonicContact NH2-OD2 3.54Å; R356-D359 PolarHBondContact NH2-OD2 3.32Å; L357-D359 PolarHBondContact O-N 3.25Å; D359-W405 VanDerWaalsContact O-CD1 3.3Å; D359-W405 PolarHBondContact O-NE1 3.49Å; D359-W405 VanDerWaalsContact O-NE1 3.16Å
360	I	97.6	Very high	95.7	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-63.5	146.9	172.9	67.8	179	0	0	0	109.4	A333 S342 F344 S362 R364 L378 W405	A333-I360 HydrophobicContact CB-CG2 4.21Å; S342-I360 PolarHBondContact O-N 3.26Å; F344-I360 HydrophobicContact CB-CG2 3.91Å; F344-I360 HydrophobicContact CD2-CG2 4.28Å; F344-I360 HydrophobicContact CG-CG2 4.24Å; I360-S362 VanDerWaalsContact CD1-O 3.32Å; I360-S362 WeakPolarHBondContact CD1-O 3.38Å; I360-S362 WeakPolarHBondContact CG1-O 3.38Å; I360-S362 PolarHBondContact O-N 2.78Å; I360-R364 HydrophobicContact CD1-CG 3.6Å; I360-L378 HydrophobicContact CB-CD1 4.03Å; I360-L378 HydrophobicContact CG2-CD1 3.42Å; I360-L378 VanDerWaalsContact CG2-CD1 3.42Å; I360-W405 HydrophobicContact CB-CZ2 4.45Å; I360-W405 HydrophobicContact CG2-CH2 4.22Å; I360-W405 HydrophobicContact CG2-CZ2 3.74Å
361	P	96.6	Very high	96	Very high	69 Å²	69	46.7 Å²	46.7	45%	0.448	24%	0.244	S	C	.	.	S	Bend	trans	-57	-29.3	-171.1	-30.8	37.7	0	0	0	115.6	D396 W405	P361-D396 HydrophobicContact CG-CB 4.22Å; P361-W405 HydrophobicContact CG-CB 3.83Å; P361-W405 HydrophobicContact CG-CD2 4.32Å; P361-W405 HydrophobicContact CG-CG 3.97Å
362	S	93.6	Very high	96.2	Very high	24 Å²	24	43.2 Å²	43.2	17%	0.168	22%	0.222	C	C	.	.	S	Bend	trans	-139.4	133.7	175.4	63.5	0	0	0	0	110.4	I360 R364 H394	I360-S362 VanDerWaalsContact CD1-O 3.32Å; I360-S362 WeakPolarHBondContact CD1-O 3.38Å; I360-S362 WeakPolarHBondContact CG1-O 3.38Å; I360-S362 PolarHBondContact O-N 2.78Å; S362-R364 WeakPolarHBondContact O-CG 3.39Å; S362-R364 PolarHBondContact O-N 2.98Å; S362-H394 PolarHBondContact OG-ND1 2.85Å
363	P	96.1	Very high	96.2	Very high	47 Å²	47	43.1 Å²	43.1	31%	0.305	22%	0.217	S	C	.	.			trans	-56.4	130.7	174.8	-19.2	27.8	0	0	0	111.8	S340 L341 N383	S340-P363 VanDerWaalsContact O-CB 3.31Å; S340-P363 WeakPolarHBondContact O-CB 3.33Å; L341-P363 WeakPolarHBondContact O-CA 3.18Å; P363-N383 VanDerWaalsContact O-CB 3.28Å; P363-N383 WeakPolarHBondContact O-CB 3.27Å; P363-N383 PolarHBondContact O-OD1 3.43Å
364	R	96.8	Very high	96	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.008	19%	0.193	C	C	.	.			trans	-158.5	153.5	-179.3	53.8	175.9	172.4	-145.1	-13.5	113.7	G334 G335 L341 I360 S362 L367 L378 G380 R382 D396	G334-R364 WeakPolarHBondContact CA-O 3.42Å; G335-R364 PolarHBondContact N-O 2.88Å; L341-R364 PolarHBondContact O-N 2.99Å; L341-R364 VanDerWaalsContact O-N 3.09Å; I360-R364 HydrophobicContact CD1-CG 3.6Å; S362-R364 WeakPolarHBondContact O-CG 3.39Å; S362-R364 PolarHBondContact O-N 2.98Å; R364-L367 HydrophobicContact CG-CB 4.4Å; R364-L367 HydrophobicContact CG-CD1 3.97Å; R364-L378 VanDerWaalsContact NH2-CD1 3.33Å; R364-G380 WeakPolarHBondContact CD-O 3.44Å; R364-R382 CarbonylContact C-O 3.43Å; R364-R382 VanDerWaalsContact CA-O 3.27Å; R364-R382 WeakPolarHBondContact CA-O 3.44Å; R364-D396 IonicContact CZ-OD2 2.91Å; R364-D396 IonicContact NH1-OD2 3.19Å; R364-D396 PolarHBondContact NH1-OD2 2.99Å; R364-D396 IonicContact NH2-OD2 2.75Å; R364-D396 PolarHBondContact NH2-OD2 2.87Å
365	S	97	Very high	96	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.063	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-132	165.7	172.4	58.7	0	0	0	0	110.3	S340 L367 G381 R382 N384 G605	S340-S365 PolarHBondContact OG-N 2.81Å; S340-S365 PolarHBondContact OG-OG 3.1Å; S340-S365 VanDerWaalsContact OG-OG 3.05Å; S365-L367 PolarHBondContact O-N 3.06Å; S365-G381 CarbonylContact O-C 3.59Å; S365-G381 WeakPolarHBondContact O-CA 3.48Å; S365-R382 PolarHBondContact N-O 3.12Å; S365-R382 PolarHBondContact O-N 3.09Å; S365-N384 PolarHBondContact OG-ND2 3.02Å; S365-N384 VanDerWaalsContact OG-ND2 3.11Å; S365-G605 CarbonylContact C-O 3.53Å; S365-G605 WeakPolarHBondContact CA-O 3.47Å
366	G	97.1	Very high	96.1	Very high	8 Å²	8	28.8 Å²	28.8	8%	0.082	16%	0.164	C	C	.	.	S	Bend	trans	62.8	18.3	-172.3	0	0	0	0	0	113.2	R417 G605	G366-R417 WeakPolarHBondContact O-CA 3.31Å; G366-R417 PolarHBondContact O-N 2.83Å; G366-G605 PolarHBondContact N-O 3.17Å
367	L	97.9	Very high	96.3	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.042	15%	0.146	C	C	.	.			trans	-77.4	164.3	169.9	75.9	170.8	0	0	0	110.3	A333 R364 S365 L378 V379 G605 A607	A333-L367 HydrophobicContact CB-CD1 4.27Å; R364-L367 HydrophobicContact CG-CB 4.4Å; R364-L367 HydrophobicContact CG-CD1 3.97Å; S365-L367 PolarHBondContact O-N 3.06Å; L367-L378 HydrophobicContact CD1-CB 4.28Å; L367-L378 HydrophobicContact CD1-CD1 4.08Å; L367-L378 HydrophobicContact CD1-CD2 4.07Å; L367-L378 HydrophobicContact CD1-CG 4.38Å; L367-V379 WeakPolarHBondContact CA-O 3.04Å; L367-G605 WeakPolarHBondContact CD2-O 3.49Å; L367-A607 HydrophobicContact CD2-CB 4.33Å; L367-A607 HydrophobicContact CG-CB 3.99Å
368	S	98.1	Very high	96.4	Very high	19 Å²	19	23.3 Å²	23.3	13%	0.133	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	157.4	169.4	-98.2	0	0	0	0	110.7	L378 V379 V418 V420	S368-L378 CarbonylContact O-C 3.14Å; S368-L378 WeakPolarHBondContact O-CA 3.46Å; S368-V379 PolarHBondContact N-O 2.97Å; S368-V379 PolarHBondContact O-N 2.97Å; S368-V418 PolarHBondContact OG-O 3.4Å; S368-V420 VanDerWaalsContact CB-CG1 3.46Å
369	A	98.1	Very high	96.5	Very high	17 Å²	17	20.9 Å²	20.9	14%	0.14	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.7	174.5	0	0	0	0	0	111.2	Y377 L378 A607 V609	A369-Y377 CarbonylContact C-O 3.59Å; A369-Y377 WeakPolarHBondContact CA-O 3.3Å; A369-L378 HydrophobicContact CB-CD2 3.67Å; A369-A607 HydrophobicContact CB-CB 3.5Å; A369-A607 VanDerWaalsContact CB-CB 3.5Å; A369-V609 HydrophobicContact CB-CB 3.95Å; A369-V609 HydrophobicContact CB-CG1 3.79Å
370	C	98.2	Very high	96.5	Very high	9 Å²	9	17.5 Å²	17.5	6%	0.061	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.1	173.2	63	0	0	0	0	111.3	Y377 V420 V422 I427	C370-Y377 PolarHBondContact N-O 3.25Å; C370-Y377 PolarHBondContact O-N 2.68Å; C370-V420 HydrophobicContact CB-CG2 3.91Å; C370-V422 HydrophobicContact CB-CG2 3.58Å; C370-I427 VanDerWaalsContact SG-CG2 3.54Å
371	S	96.1	Very high	96.5	Very high	38 Å²	38	17.3 Å²	17.3	27%	0.266	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127	177.3	-179.5	0	0	0	0	109.7	C375 V610 S611	S371-C375 VanDerWaalsContact CA-O 3.27Å; S371-C375 WeakPolarHBondContact CA-O 3.41Å; S371-C375 PolarHBondContact OG-O 2.83Å; S371-V610 VanDerWaalsContact CB-O 3.3Å; S371-V610 WeakPolarHBondContact CB-O 3.47Å; S371-S611 PolarHBondContact OG-OG 2.86Å
372	V	95.6	Very high	96.5	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.018	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	126.3	174.5	179.3	0	0	0	0	107.8	G374 C375 Y377 V422 D425 I427 P447	V372-G374 PolarHBondContact O-N 2.85Å; V372-C375 PolarHBondContact N-O 2.75Å; V372-C375 VanDerWaalsContact N-O 3.1Å; V372-C375 PolarHBondContact O-N 2.76Å; V372-Y377 HydrophobicContact CB-CD2 4.11Å; V372-Y377 HydrophobicContact CB-CE2 3.84Å; V372-Y377 HydrophobicContact CG2-CD2 4.43Å; V372-V422 HydrophobicContact CG2-CG1 3.82Å; V372-V422 HydrophobicContact CG2-CG2 3.82Å; V372-D425 HydrophobicContact CG1-CB 4.19Å; V372-D425 WeakPolarHBondContact CG1-O 3.5Å; V372-I427 HydrophobicContact CG2-CD1 3.86Å; V372-I427 HydrophobicContact CG2-CG1 3.58Å; V372-P447 HydrophobicContact CG1-CG 4.2Å
373	R	91.5	Very high	96.6	Very high	65 Å²	65	17 Å²	17	25%	0.245	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	30.5	175.8	-62.8	175.9	-175.8	174.3	2.1	114.3	R243 T244 C375 D425 D448	R243-R373 HydrophobicContact CB-CB 4.16Å; T244-R373 HydrophobicContact CG2-CG 3.68Å; R373-C375 VanDerWaalsContact C-N 3.32Å; R373-D425 IonicContact CZ-OD2 3.98Å; R373-D425 IonicContact NE-OD2 2.65Å; R373-D425 PolarHBondContact NE-OD2 3.4Å; R373-D425 IonicContact NH2-OD2 3.63Å; R373-D425 PolarHBondContact NH2-OD2 3.4Å; R373-D448 IonicContact CZ-OD1 3.15Å; R373-D448 IonicContact CZ-OD2 3.55Å; R373-D448 VanDerWaalsContact NH1-CG 3.3Å; R373-D448 IonicContact NH1-OD1 3.81Å; R373-D448 PolarHBondContact NH1-OD1 3.17Å; R373-D448 IonicContact NH1-OD2 3.6Å; R373-D448 PolarHBondContact NH1-OD2 2.99Å; R373-D448 IonicContact NH2-OD1 3.36Å; R373-D448 IonicContact NH2-OD2 3.33Å; R373-D448 PolarHBondContact NH2-OD2 3.04Å
374	G	90.1	Very high	96.5	Very high	13 Å²	13	15.9 Å²	15.9	13%	0.134	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-0.9	-179.4	0	0	0	0	0	115.2	V372 P400 S611	V372-G374 PolarHBondContact O-N 2.85Å; G374-P400 VanDerWaalsContact O-CD 3.31Å; G374-P400 WeakPolarHBondContact O-CD 3.36Å; G374-P400 WeakPolarHBondContact O-CG 3.33Å; G374-S611 PolarHBondContact O-OG 2.8Å
375	C	94.7	Very high	96.1	Very high	8 Å²	8	18.4 Å²	18.4	5%	0.054	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	155.6	173	-63.4	0	0	0	0	111.1	S371 V372 R373 Y377 C397 Y398	S371-C375 VanDerWaalsContact CA-O 3.27Å; S371-C375 WeakPolarHBondContact CA-O 3.41Å; S371-C375 PolarHBondContact OG-O 2.83Å; V372-C375 PolarHBondContact N-O 2.75Å; V372-C375 VanDerWaalsContact N-O 3.1Å; V372-C375 PolarHBondContact O-N 2.76Å; R373-C375 VanDerWaalsContact C-N 3.32Å; C375-Y377 HydrophobicContact CB-CD2 4.42Å; C375-Y377 HydrophobicContact CB-CE2 3.85Å; C375-C397 VanDerWaalsContact CB-SG 3.59Å; C375-Y398 WeakPolarHBondContact CA-O 3.4Å; C375-Y398 WeakPolarHBondContact CB-O 3.38Å
376	V	97.4	Very high	95.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.5	175.1	171.8	0	0	0	0	109	Y331 F344 L378 C397 Y398 V609	Y331-V376 HydrophobicContact CD1-CG2 4.44Å; Y331-V376 HydrophobicContact CD2-CG2 3.9Å; Y331-V376 HydrophobicContact CE2-CG2 4.23Å; Y331-V376 HydrophobicContact CG-CG2 4.01Å; F344-V376 HydrophobicContact CZ-CG1 4.49Å; V376-L378 HydrophobicContact CG1-CD2 4.32Å; V376-C397 CarbonylContact O-C 3.45Å; V376-C397 WeakPolarHBondContact O-CA 3.46Å; V376-Y398 HydrophobicContact CB-CD1 4.43Å; V376-Y398 PolarHBondContact N-O 3.25Å; V376-Y398 PolarHBondContact O-N 3.37Å; V376-V609 HydrophobicContact CG1-CG1 3.76Å; V376-V609 HydrophobicContact CG2-CG1 4.12Å
377	Y	98.5	Very high	94.8	Very high	23 Å²	23	33.8 Å²	33.8	9%	0.09	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.5	176.6	-71.9	-97.9	0	0	0	110.3	A369 C370 V372 C375 M395 D396 C397 I427 Y445	A369-Y377 CarbonylContact C-O 3.59Å; A369-Y377 WeakPolarHBondContact CA-O 3.3Å; C370-Y377 PolarHBondContact N-O 3.25Å; C370-Y377 PolarHBondContact O-N 2.68Å; V372-Y377 HydrophobicContact CB-CD2 4.11Å; V372-Y377 HydrophobicContact CB-CE2 3.84Å; V372-Y377 HydrophobicContact CG2-CD2 4.43Å; C375-Y377 HydrophobicContact CB-CD2 4.42Å; C375-Y377 HydrophobicContact CB-CE2 3.85Å; Y377-M395 HydrophobicContact CD1-CE 4.23Å; Y377-M395 HydrophobicContact CD1-CG 4.39Å; Y377-M395 HydrophobicContact CD1-SD 3.78Å; Y377-M395 HydrophobicContact CG-SD 4.38Å; Y377-D396 CarbonylContact C-O 3.48Å; Y377-D396 WeakPolarHBondContact CA-O 3.45Å; Y377-C397 HydrophobicContact CD1-CB 3.83Å; Y377-C397 HydrophobicContact CE1-CB 3.6Å; Y377-C397 HydrophobicContact CG-CB 4.48Å; Y377-I427 HydrophobicContact CD1-CD1 3.74Å; Y377-I427 HydrophobicContact CD2-CD1 3.82Å; Y377-I427 HydrophobicContact CE1-CD1 4.26Å; Y377-I427 HydrophobicContact CE2-CD1 4.35Å; Y377-I427 HydrophobicContact CG-CD1 3.49Å; Y377-I427 VanDerWaalsContact CG-CD1 3.49Å; Y377-Y445 HydrophobicContact CE1-CE1 4.09Å
378	L	98.5	Very high	94.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.2	174	-61.1	-174.4	0	0	0	110	A333 I360 R364 L367 S368 A369 V376 M395 D396 W405	A333-L378 HydrophobicContact CB-CD1 3.8Å; A333-L378 HydrophobicContact CB-CD2 3.49Å; A333-L378 VanDerWaalsContact CB-CD2 3.49Å; A333-L378 HydrophobicContact CB-CG 4.31Å; I360-L378 HydrophobicContact CB-CD1 4.03Å; I360-L378 HydrophobicContact CG2-CD1 3.42Å; I360-L378 VanDerWaalsContact CG2-CD1 3.42Å; R364-L378 VanDerWaalsContact NH2-CD1 3.33Å; L367-L378 HydrophobicContact CD1-CB 4.28Å; L367-L378 HydrophobicContact CD1-CD1 4.08Å; L367-L378 HydrophobicContact CD1-CD2 4.07Å; L367-L378 HydrophobicContact CD1-CG 4.38Å; S368-L378 CarbonylContact O-C 3.14Å; S368-L378 WeakPolarHBondContact O-CA 3.46Å; A369-L378 HydrophobicContact CB-CD2 3.67Å; V376-L378 HydrophobicContact CG1-CD2 4.32Å; L378-M395 WeakPolarHBondContact O-CA 3.38Å; L378-M395 VanDerWaalsContact O-SD 3.4Å; L378-D396 PolarHBondContact N-O 3.03Å; L378-D396 PolarHBondContact O-N 3.34Å; L378-W405 HydrophobicContact CD1-CH2 3.27Å; L378-W405 HydrophobicContact CD1-CZ2 4.04Å; L378-W405 HydrophobicContact CD1-CZ3 3.7Å; L378-W405 HydrophobicContact CD2-CH2 4.47Å; L378-W405 HydrophobicContact CG-CH2 3.62Å; L378-W405 HydrophobicContact CG-CZ3 3.8Å
379	V	98.4	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.4	-170.3	-168.2	0	0	0	0	110.9	L367 S368 M395 M411 V418 V420 I427 A429 W452	L367-V379 WeakPolarHBondContact CA-O 3.04Å; S368-V379 PolarHBondContact N-O 2.97Å; S368-V379 PolarHBondContact O-N 2.97Å; V379-M395 HydrophobicContact CG2-CE 3.61Å; V379-M395 HydrophobicContact CG2-SD 3.69Å; V379-M411 HydrophobicContact CG1-CE 3.94Å; V379-M411 HydrophobicContact CG1-SD 3.52Å; V379-M411 VanDerWaalsContact CG1-SD 3.52Å; V379-V418 HydrophobicContact CG1-CG1 4.48Å; V379-V418 WeakPolarHBondContact O-CG1 3.14Å; V379-V420 HydrophobicContact CB-CG1 3.76Å; V379-V420 HydrophobicContact CG1-CG1 4.03Å; V379-V420 HydrophobicContact CG2-CG1 3.73Å; V379-I427 HydrophobicContact CG2-CG2 4.27Å; V379-A429 HydrophobicContact CG1-CB 4.32Å; V379-W452 HydrophobicContact CG1-CH2 3.89Å; V379-W452 HydrophobicContact CG1-CZ2 4.21Å
380	G	98.1	Very high	93.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.			trans	65.5	-143.9	171.3	0	0	0	0	0	114.1	R364 H394 M411	R364-G380 WeakPolarHBondContact CD-O 3.44Å; G380-H394 PolarHBondContact N-O 2.83Å; G380-M411 VanDerWaalsContact CA-CE 3.48Å
381	G	97.6	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.			trans	98	-176	-177.2	0	0	0	0	0	114.1	S365 A392 R415	S365-G381 CarbonylContact O-C 3.59Å; S365-G381 WeakPolarHBondContact O-CA 3.48Å; G381-A392 PolarHBondContact O-N 2.86Å; G381-R415 PolarHBondContact N-O 2.81Å
382	R	96.8	Very high	93.3	Very high	49 Å²	49	41.5 Å²	41.5	19%	0.185	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.8	-178.4	177.4	179.2	-70.3	174.4	0.1	110.7	S340 R364 S365 N384 I390 D391 N416	S340-R382 PolarHBondContact OG-O 3.04Å; R364-R382 CarbonylContact C-O 3.43Å; R364-R382 VanDerWaalsContact CA-O 3.27Å; R364-R382 WeakPolarHBondContact CA-O 3.44Å; S365-R382 PolarHBondContact N-O 3.12Å; S365-R382 PolarHBondContact O-N 3.09Å; R382-N384 WeakPolarHBondContact CD-OD1 3.35Å; R382-I390 CarbonylContact C-O 3.51Å; R382-I390 WeakPolarHBondContact CA-O 3.38Å; R382-D391 WeakPolarHBondContact CB-OD1 3.43Å; R382-D391 IonicContact CZ-OD1 2.69Å; R382-D391 VanDerWaalsContact CZ-OD1 3.23Å; R382-D391 IonicContact CZ-OD2 3.13Å; R382-D391 IonicContact NE-OD1 3.4Å; R382-D391 PolarHBondContact NE-OD1 2.98Å; R382-D391 IonicContact NE-OD2 2.97Å; R382-D391 IonicContact NH2-OD1 3.61Å; R382-D391 PolarHBondContact NH2-OD1 2.85Å; R382-D391 IonicContact NH2-OD2 2.73Å; R382-D391 PolarHBondContact NH2-OD2 2.82Å; R382-N416 HydrophobicContact CB-CB 4.08Å; R382-N416 PolarHBondContact NE-ND2 2.93Å; R382-N416 PolarHBondContact NH2-ND2 2.92Å
383	N	96.1	Very high	93.3	Very high	38 Å²	38	43 Å²	43	20%	0.203	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.8	164.7	-167.3	-2.8	0	0	0	108.8	P363 N389 I390	P363-N383 VanDerWaalsContact O-CB 3.28Å; P363-N383 WeakPolarHBondContact O-CB 3.27Å; P363-N383 PolarHBondContact O-OD1 3.43Å; N383-N389 WeakPolarHBondContact O-CA 3.46Å; N383-I390 PolarHBondContact N-O 3.44Å; N383-I390 PolarHBondContact O-N 3.46Å
384	N	93.2	Very high	93.4	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.123	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.1	173.5	-50.7	-93.2	0	0	0	107	Y336 S340 S365 R382 N389	Y336-N384 HydrophobicContact CD2-CB 4.36Å; Y336-N384 HydrophobicContact CE2-CB 3.95Å; S340-N384 PolarHBondContact N-O 3.16Å; S340-N384 PolarHBondContact OG-N 3.09Å; S340-N384 PolarHBondContact OG-ND2 3.1Å; S365-N384 PolarHBondContact OG-ND2 3.02Å; S365-N384 VanDerWaalsContact OG-ND2 3.11Å; R382-N384 WeakPolarHBondContact CD-OD1 3.35Å; N384-N389 WeakPolarHBondContact CA-OD1 3.4Å; N384-N389 WeakPolarHBondContact CB-OD1 3.47Å; N384-N389 PolarHBondContact OD1-OD1 2.76Å
385	N	88.4	Confident	93.7	Very high	55 Å²	55	42.9 Å²	42.9	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	177	174.9	65.1	27.8	0	0	0	109.7	Q387 G388	N385-Q387 PolarHBondContact O-N 2.77Å; N385-Q387 VanDerWaalsContact O-N 3.1Å; N385-Q387 WeakPolarHBondContact OD1-CA 3.35Å; N385-Q387 WeakPolarHBondContact OD1-CB 3.33Å; N385-Q387 PolarHBondContact OD1-N 2.96Å; N385-G388 PolarHBondContact N-O 2.7Å; N385-G388 VanDerWaalsContact N-O 3.12Å; N385-G388 PolarHBondContact O-N 2.9Å; N385-G388 PolarHBondContact OD1-N 3.42Å; N385-G388 PolarHBondContact OD1-O 2.81Å
386	E	84.2	Confident	93.9	Very high	157 Å²	157	42.6 Å²	42.6	73%	0.734	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23	-179.8	-58.5	-177.7	155.5	0	0	113.9	M12	M12-E386 WeakPolarHBondContact CE-OE1 3.29Å
387	Q	82.9	Confident	93.9	Very high	183 Å²	183	43.2 Å²	43.2	86%	0.855	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-14	-179.3	-59.9	161	13.3	0	0	111.9	N385	N385-Q387 PolarHBondContact O-N 2.77Å; N385-Q387 VanDerWaalsContact O-N 3.1Å; N385-Q387 WeakPolarHBondContact OD1-CA 3.35Å; N385-Q387 WeakPolarHBondContact OD1-CB 3.33Å; N385-Q387 PolarHBondContact OD1-N 2.96Å
388	G	87.2	Confident	93.9	Very high	28 Å²	28	42.1 Å²	42.1	29%	0.289	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	139.6	-170	174.5	0	0	0	0	0	114.3	N385	N385-G388 PolarHBondContact N-O 2.7Å; N385-G388 VanDerWaalsContact N-O 3.12Å; N385-G388 PolarHBondContact O-N 2.9Å; N385-G388 PolarHBondContact OD1-N 3.42Å; N385-G388 PolarHBondContact OD1-O 2.81Å
389	N	90.9	Very high	93.7	Very high	95 Å²	95	43 Å²	43	51%	0.508	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113	-174.9	-68	-22.8	0	0	0	109.8	N383 N384	N383-N389 WeakPolarHBondContact O-CA 3.46Å; N384-N389 WeakPolarHBondContact CA-OD1 3.4Å; N384-N389 WeakPolarHBondContact CB-OD1 3.47Å; N384-N389 PolarHBondContact OD1-OD1 2.76Å
390	I	94	Very high	93.3	Very high	108 Å²	108	43.1 Å²	43.1	55%	0.554	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114	112.2	-176.9	-58.8	171.7	0	0	0	109.4	R382 N383	R382-I390 CarbonylContact C-O 3.51Å; R382-I390 WeakPolarHBondContact CA-O 3.38Å; N383-I390 PolarHBondContact N-O 3.44Å; N383-I390 PolarHBondContact O-N 3.46Å
391	D	95.9	Very high	92.8	Very high	14 Å²	14	47.8 Å²	47.8	8%	0.075	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.9	169.4	-70.2	-30.3	0	0	0	110	R382 P414 N416 T434 N435	R382-D391 WeakPolarHBondContact CB-OD1 3.43Å; R382-D391 IonicContact CZ-OD1 2.69Å; R382-D391 VanDerWaalsContact CZ-OD1 3.23Å; R382-D391 IonicContact CZ-OD2 3.13Å; R382-D391 IonicContact NE-OD1 3.4Å; R382-D391 PolarHBondContact NE-OD1 2.98Å; R382-D391 IonicContact NE-OD2 2.97Å; R382-D391 IonicContact NH2-OD1 3.61Å; R382-D391 PolarHBondContact NH2-OD1 2.85Å; R382-D391 IonicContact NH2-OD2 2.73Å; R382-D391 PolarHBondContact NH2-OD2 2.82Å; D391-P414 HydrophobicContact CB-CB 3.85Å; D391-P414 WeakPolarHBondContact O-CB 3.24Å; D391-N416 VanDerWaalsContact OD1-CB 3.22Å; D391-N416 WeakPolarHBondContact OD1-CB 3.21Å; D391-T434 HydrophobicContact CB-CG2 4.39Å; D391-T434 WeakPolarHBondContact OD2-CA 3.25Å; D391-N435 PolarHBondContact OD2-N 2.89Å
392	A	89	Confident	92.4	Very high	8 Å²	8	54.9 Å²	54.9	7%	0.066	27%	0.271	C	S	.	.			trans	-113.9	140.1	-174.7	0	0	0	0	0	111.9	G381 H394 R415	G381-A392 PolarHBondContact O-N 2.86Å; A392-H394 HydrophobicContact CB-CB 4.25Å; A392-H394 PolarHBondContact O-N 2.83Å; A392-R415 PolarHBondContact O-N 2.97Å
393	P	95.6	Very high	92.2	Very high	34 Å²	34	56.2 Å²	56.2	22%	0.221	28%	0.282	C	S	.	.			trans	-86.7	12.9	168.4	36.9	-34.3	0	0	0	112.2	P410 M411 P414	P393-P410 HydrophobicContact CB-CB 3.99Å; P393-P410 HydrophobicContact CG-CB 3.98Å; P393-P410 CarbonylContact O-C 3.59Å; P393-P410 VanDerWaalsContact O-CA 3.27Å; P393-P410 WeakPolarHBondContact O-CA 3.46Å; P393-P410 WeakPolarHBondContact O-CB 3.24Å; P393-M411 HydrophobicContact CB-CB 4.29Å; P393-M411 WeakPolarHBondContact CB-O 3.05Å; P393-M411 PolarHBondContact O-N 3.13Å; P393-P414 HydrophobicContact CB-CB 4.46Å; P393-P414 HydrophobicContact CB-CG 4.37Å; P393-P414 HydrophobicContact CG-CG 4.39Å
394	H	93.6	Very high	92.2	Very high	76 Å²	76	56.5 Å²	56.5	35%	0.352	29%	0.287	S	S	.	.			trans	-61.9	142.1	-168.8	-62.9	175.7	0	0	0	112.3	S362 G380 A392	S362-H394 PolarHBondContact OG-ND1 2.85Å; G380-H394 PolarHBondContact N-O 2.83Å; A392-H394 HydrophobicContact CB-CB 4.25Å; A392-H394 PolarHBondContact O-N 2.83Å
395	M	97.4	Very high	92.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.1	167.7	175	64.3	104.3	0	0	107.3	Y377 L378 V379 C408 A409 I427 Y445 W452	Y377-M395 HydrophobicContact CD1-CE 4.23Å; Y377-M395 HydrophobicContact CD1-CG 4.39Å; Y377-M395 HydrophobicContact CD1-SD 3.78Å; Y377-M395 HydrophobicContact CG-SD 4.38Å; L378-M395 WeakPolarHBondContact O-CA 3.38Å; L378-M395 VanDerWaalsContact O-SD 3.4Å; V379-M395 HydrophobicContact CG2-CE 3.61Å; V379-M395 HydrophobicContact CG2-SD 3.69Å; M395-C408 HydrophobicContact CB-CB 4.06Å; M395-C408 HydrophobicContact CG-CB 3.57Å; M395-C408 PolarHBondContact O-N 2.82Å; M395-A409 WeakPolarHBondContact CB-O 3.27Å; M395-I427 HydrophobicContact CE-CB 4.44Å; M395-I427 HydrophobicContact CE-CD1 3.82Å; M395-I427 HydrophobicContact CE-CG2 4.15Å; M395-Y445 HydrophobicContact CE-CD1 4.09Å; M395-Y445 HydrophobicContact CE-CG 4.15Å; M395-W452 HydrophobicContact CB-CZ2 4.44Å; M395-W452 HydrophobicContact CE-CH2 3.66Å; M395-W452 HydrophobicContact CE-CZ2 3.31Å; M395-W452 HydrophobicContact CG-CZ2 4.49Å; M395-W452 HydrophobicContact SD-CZ2 4.46Å
396	D	98.2	Very high	92.9	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136	177.1	-57.2	-76	0	0	0	110.5	P361 R364 Y377 L378 W405 T407	P361-D396 HydrophobicContact CG-CB 4.22Å; R364-D396 IonicContact CZ-OD2 2.91Å; R364-D396 IonicContact NH1-OD2 3.19Å; R364-D396 PolarHBondContact NH1-OD2 2.99Å; R364-D396 IonicContact NH2-OD2 2.75Å; R364-D396 PolarHBondContact NH2-OD2 2.87Å; Y377-D396 CarbonylContact C-O 3.48Å; Y377-D396 WeakPolarHBondContact CA-O 3.45Å; L378-D396 PolarHBondContact N-O 3.03Å; L378-D396 PolarHBondContact O-N 3.34Å; D396-W405 HydrophobicContact CB-CE3 3.8Å; D396-W405 HydrophobicContact CB-CZ3 4.07Å; D396-T407 PolarHBondContact OD1-OG1 2.81Å
397	C	98.1	Very high	93.5	Very high	14 Å²	14	56 Å²	56	10%	0.095	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.6	-178.8	178.9	0	0	0	0	110.4	C375 V376 Y377 W405 T406	C375-C397 VanDerWaalsContact CB-SG 3.59Å; V376-C397 CarbonylContact O-C 3.45Å; V376-C397 WeakPolarHBondContact O-CA 3.46Å; Y377-C397 HydrophobicContact CD1-CB 3.83Å; Y377-C397 HydrophobicContact CE1-CB 3.6Å; Y377-C397 HydrophobicContact CG-CB 4.48Å; C397-W405 VanDerWaalsContact C-CE3 3.5Å; C397-W405 CarbonylContact O-C 3.58Å; C397-W405 WeakPolarHBondContact O-CA 3.33Å; C397-T406 PolarHBondContact N-O 3.09Å; C397-T406 PolarHBondContact O-N 2.86Å
398	Y	97.6	Very high	94.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.7	170.8	173.7	-101.6	0	0	0	109.7	Y331 F344 L357 C375 V376 P400 N403 C404 W405	Y331-Y398 HydrophobicContact CE1-CD1 4.3Å; Y331-Y398 AromaticContact CE1-CE1 3.75Å; Y331-Y398 HydrophobicContact CE1-CE1 3.75Å; F344-Y398 AromaticContact CE1-CD1 3.72Å; F344-Y398 HydrophobicContact CE1-CD1 3.72Å; F344-Y398 AromaticContact CE1-CD2 3.75Å; F344-Y398 HydrophobicContact CE1-CD2 3.75Å; F344-Y398 AromaticContact CE1-CE1 3.83Å; F344-Y398 HydrophobicContact CE1-CE1 3.83Å; F344-Y398 AromaticContact CE1-CE2 3.87Å; F344-Y398 HydrophobicContact CE1-CE2 3.87Å; F344-Y398 AromaticContact CE1-CG 3.68Å; F344-Y398 HydrophobicContact CE1-CG 3.68Å; F344-Y398 AromaticContact CE1-CZ 3.9Å; F344-Y398 AromaticContact CZ-CD1 3.83Å; F344-Y398 HydrophobicContact CZ-CD1 3.83Å; F344-Y398 HydrophobicContact CZ-CE1 4.2Å; F344-Y398 HydrophobicContact CZ-CG 4Å; L357-Y398 HydrophobicContact CD1-CE1 4.48Å; C375-Y398 WeakPolarHBondContact CA-O 3.4Å; C375-Y398 WeakPolarHBondContact CB-O 3.38Å; V376-Y398 HydrophobicContact CB-CD1 4.43Å; V376-Y398 PolarHBondContact N-O 3.25Å; V376-Y398 PolarHBondContact O-N 3.37Å; Y398-P400 HydrophobicContact CD1-CG 3.98Å; Y398-P400 HydrophobicContact CE1-CB 4Å; Y398-P400 HydrophobicContact CE1-CG 3.83Å; Y398-P400 WeakPolarHBondContact O-CD 3.43Å; Y398-N403 WeakPolarHBondContact CE2-OD1 3.34Å; Y398-N403 PolarHBondContact OH-OD1 3.37Å; Y398-C404 WeakPolarHBondContact CA-O 3.44Å; Y398-W405 VanDerWaalsContact CB-CH2 3.5Å; Y398-W405 VanDerWaalsContact CB-CZ3 3.44Å; Y398-W405 HydrophobicContact CD2-CD2 4.25Å; Y398-W405 AromaticContact CD2-CE2 3.96Å; Y398-W405 HydrophobicContact CD2-CG 4.49Å; Y398-W405 HydrophobicContact CD2-CZ2 4.29Å; Y398-W405 HydrophobicContact CG-CH2 4.39Å; Y398-W405 HydrophobicContact CG-CZ2 4.23Å
399	D	94.3	Very high	94.8	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	107.6	173	-173.1	-24.6	0	0	0	109.3	R243 R401 K402 N403 C404	R243-D399 IonicContact NH2-OD2 2.7Å; R243-D399 PolarHBondContact NH2-OD2 3.48Å; D399-R401 PolarHBondContact O-N 2.97Å; D399-R401 VanDerWaalsContact O-N 3.1Å; D399-R401 VanDerWaalsContact OD1-CB 3.28Å; D399-R401 WeakPolarHBondContact OD1-CB 3.42Å; D399-R401 PolarHBondContact OD1-N 3.3Å; D399-K402 HydrophobicContact CB-CB 4.3Å; D399-K402 HydrophobicContact CB-CG 4.49Å; D399-K402 PolarHBondContact O-N 3.36Å; D399-K402 VanDerWaalsContact O-N 3.1Å; D399-N403 PolarHBondContact O-N 3.47Å; D399-C404 PolarHBondContact N-O 3.4Å; D399-C404 VanDerWaalsContact N-O 3.1Å
400	P	91.3	Very high	95.1	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.026	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.4	-179.6	-23.3	33.8	0	0	0	114.4	G374 Y398 P614 S615	G374-P400 VanDerWaalsContact O-CD 3.31Å; G374-P400 WeakPolarHBondContact O-CD 3.36Å; G374-P400 WeakPolarHBondContact O-CG 3.33Å; Y398-P400 HydrophobicContact CD1-CG 3.98Å; Y398-P400 HydrophobicContact CE1-CB 4Å; Y398-P400 HydrophobicContact CE1-CG 3.83Å; Y398-P400 WeakPolarHBondContact O-CD 3.43Å; P400-P614 HydrophobicContact CB-CB 4.16Å; P400-P614 VanDerWaalsContact O-CA 3.27Å; P400-P614 WeakPolarHBondContact O-CA 3.09Å; P400-P614 WeakPolarHBondContact O-CB 3.08Å; P400-S615 PolarHBondContact O-N 3.36Å
401	R	86.2	Confident	95.4	Very high	97 Å²	97	42.3 Å²	42.3	37%	0.366	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-31.8	177.9	-58.9	177.2	177.3	166.6	-3.1	112.2	N241 D399 R612 S615	N241-R401 PolarHBondContact OD1-NH2 3Å; D399-R401 PolarHBondContact O-N 2.97Å; D399-R401 VanDerWaalsContact O-N 3.1Å; D399-R401 VanDerWaalsContact OD1-CB 3.28Å; D399-R401 WeakPolarHBondContact OD1-CB 3.42Å; D399-R401 PolarHBondContact OD1-N 3.3Å; R401-R612 VanDerWaalsContact NH2-NH1 3.17Å; R401-S615 PolarHBondContact O-OG 3.19Å
402	K	90.5	Very high	95.4	Very high	149 Å²	149	45.7 Å²	45.7	65%	0.648	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-12.3	-179.8	-61.1	179.7	-176.7	177.3	0	112.6	D399 C404	D399-K402 HydrophobicContact CB-CB 4.3Å; D399-K402 HydrophobicContact CB-CG 4.49Å; D399-K402 PolarHBondContact O-N 3.36Å; D399-K402 VanDerWaalsContact O-N 3.1Å; K402-C404 HydrophobicContact CB-CB 4.49Å; K402-C404 WeakPolarHBondContact CB-SG 3.4Å; K402-C404 PolarHBondContact O-N 3.28Å
403	N	92.6	Very high	95.9	Very high	77 Å²	77	47.3 Å²	47.3	41%	0.412	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	44.2	-173.8	-169.6	34.6	0	0	0	112.3	P358 Y398 D399	P358-N403 WeakPolarHBondContact CD-OD1 3.43Å; Y398-N403 WeakPolarHBondContact CE2-OD1 3.34Å; Y398-N403 PolarHBondContact OH-OD1 3.37Å; D399-N403 PolarHBondContact O-N 3.47Å
404	C	95.5	Very high	96	Very high	45 Å²	45	47.5 Å²	47.5	30%	0.304	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.4	-176.6	70.4	0	0	0	0	112.2	Y398 D399 K402	Y398-C404 WeakPolarHBondContact CA-O 3.44Å; D399-C404 PolarHBondContact N-O 3.4Å; D399-C404 VanDerWaalsContact N-O 3.1Å; K402-C404 HydrophobicContact CB-CB 4.49Å; K402-C404 WeakPolarHBondContact CB-SG 3.4Å; K402-C404 PolarHBondContact O-N 3.28Å
405	W	98	Very high	96.2	Very high	41 Å²	41	44 Å²	44	16%	0.155	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	151.1	171.9	-70.7	102.2	0	0	0	111.6	F344 P358 D359 I360 P361 L378 D396 C397 Y398	F344-W405 AromaticContact CD1-CZ2 3.53Å; F344-W405 HydrophobicContact CD1-CZ2 3.53Å; F344-W405 HydrophobicContact CD2-CH2 4.46Å; F344-W405 AromaticContact CD2-CZ2 3.92Å; F344-W405 HydrophobicContact CD2-CZ2 3.92Å; F344-W405 HydrophobicContact CE1-CH2 4.25Å; F344-W405 AromaticContact CE1-CZ2 3.5Å; F344-W405 HydrophobicContact CE1-CZ2 3.5Å; F344-W405 VanDerWaalsContact CE1-CZ2 3.5Å; F344-W405 HydrophobicContact CE2-CH2 4.12Å; F344-W405 AromaticContact CE2-CZ2 3.9Å; F344-W405 HydrophobicContact CE2-CZ2 3.9Å; F344-W405 AromaticContact CG-CZ2 3.75Å; F344-W405 HydrophobicContact CG-CZ2 3.75Å; F344-W405 HydrophobicContact CZ-CH2 4Å; F344-W405 AromaticContact CZ-CZ2 3.68Å; F344-W405 HydrophobicContact CZ-CZ2 3.68Å; P358-W405 PolarHBondContact O-NE1 2.96Å; D359-W405 VanDerWaalsContact O-CD1 3.3Å; D359-W405 PolarHBondContact O-NE1 3.49Å; D359-W405 VanDerWaalsContact O-NE1 3.16Å; I360-W405 HydrophobicContact CB-CZ2 4.45Å; I360-W405 HydrophobicContact CG2-CH2 4.22Å; I360-W405 HydrophobicContact CG2-CZ2 3.74Å; P361-W405 HydrophobicContact CG-CB 3.83Å; P361-W405 HydrophobicContact CG-CD2 4.32Å; P361-W405 HydrophobicContact CG-CG 3.97Å; L378-W405 HydrophobicContact CD1-CH2 3.27Å; L378-W405 HydrophobicContact CD1-CZ2 4.04Å; L378-W405 HydrophobicContact CD1-CZ3 3.7Å; L378-W405 HydrophobicContact CD2-CH2 4.47Å; L378-W405 HydrophobicContact CG-CH2 3.62Å; L378-W405 HydrophobicContact CG-CZ3 3.8Å; D396-W405 HydrophobicContact CB-CE3 3.8Å; D396-W405 HydrophobicContact CB-CZ3 4.07Å; C397-W405 VanDerWaalsContact C-CE3 3.5Å; C397-W405 CarbonylContact O-C 3.58Å; C397-W405 WeakPolarHBondContact O-CA 3.33Å; Y398-W405 VanDerWaalsContact CB-CH2 3.5Å; Y398-W405 VanDerWaalsContact CB-CZ3 3.44Å; Y398-W405 HydrophobicContact CD2-CD2 4.25Å; Y398-W405 AromaticContact CD2-CE2 3.96Å; Y398-W405 HydrophobicContact CD2-CG 4.49Å; Y398-W405 HydrophobicContact CD2-CZ2 4.29Å; Y398-W405 HydrophobicContact CG-CH2 4.39Å; Y398-W405 HydrophobicContact CG-CZ2 4.23Å
406	T	97.7	Very high	96.2	Very high	87 Å²	87	44.3 Å²	44.3	53%	0.534	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	128.4	168.4	-59.8	0	0	0	0	107.9	C397	C397-T406 PolarHBondContact N-O 3.09Å; C397-T406 PolarHBondContact O-N 2.86Å
407	T	98	Very high	96.2	Very high	97 Å²	97	50.1 Å²	50.1	60%	0.595	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.1	174.7	-60.3	0	0	0	0	109.6	D396	D396-T407 PolarHBondContact OD1-OG1 2.81Å
408	C	98.2	Very high	96.2	Very high	17 Å²	17	49.8 Å²	49.8	12%	0.115	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	177.2	178.3	-51.1	0	0	0	0	110.8	M395 Y445	M395-C408 HydrophobicContact CB-CB 4.06Å; M395-C408 HydrophobicContact CG-CB 3.57Å; M395-C408 PolarHBondContact O-N 2.82Å; C408-Y445 HydrophobicContact CB-CE2 4.42Å
409	A	98.2	Very high	96.2	Very high	23 Å²	23	50 Å²	50	19%	0.19	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-55.9	134.6	175.3	0	0	0	0	0	111.8	M395 Y445 D450 W452	M395-A409 WeakPolarHBondContact CB-O 3.27Å; A409-Y445 HydrophobicContact CB-CE2 4.42Å; A409-D450 WeakPolarHBondContact CB-O 3.31Å; A409-D450 VanDerWaalsContact CB-OD1 3.29Å; A409-D450 WeakPolarHBondContact CB-OD1 3.46Å; A409-D450 PolarHBondContact N-OD1 2.82Å; A409-W452 PolarHBondContact O-NE1 3.29Å
410	P	98.2	Very high	96.4	Very high	78 Å²	78	50.1 Å²	50.1	51%	0.506	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-74.4	153.5	-179.3	31.8	-35.6	0	0	0	111.4	P393	P393-P410 HydrophobicContact CB-CB 3.99Å; P393-P410 HydrophobicContact CG-CB 3.98Å; P393-P410 CarbonylContact O-C 3.59Å; P393-P410 VanDerWaalsContact O-CA 3.27Å; P393-P410 WeakPolarHBondContact O-CA 3.46Å; P393-P410 WeakPolarHBondContact O-CB 3.24Å
411	M	98.5	Very high	96.8	Very high	7 Å²	7	50.2 Å²	50.2	3%	0.034	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-58.4	155.7	169.2	-70.3	178.3	-63.2	0	0	111.4	V379 G380 P393 V413 R415 A429 W452	V379-M411 HydrophobicContact CG1-CE 3.94Å; V379-M411 HydrophobicContact CG1-SD 3.52Å; V379-M411 VanDerWaalsContact CG1-SD 3.52Å; G380-M411 VanDerWaalsContact CA-CE 3.48Å; P393-M411 HydrophobicContact CB-CB 4.29Å; P393-M411 WeakPolarHBondContact CB-O 3.05Å; P393-M411 PolarHBondContact O-N 3.13Å; M411-V413 WeakPolarHBondContact CB-O 3.49Å; M411-V413 PolarHBondContact O-N 3.33Å; M411-R415 HydrophobicContact CE-CB 3.95Å; M411-R415 HydrophobicContact CE-CG 4.08Å; M411-R415 HydrophobicContact SD-CB 4.46Å; M411-R415 HydrophobicContact SD-CG 4.18Å; M411-A429 HydrophobicContact SD-CB 3.73Å; M411-W452 HydrophobicContact CB-CD2 4.49Å; M411-W452 HydrophobicContact CG-CD2 3.82Å; M411-W452 HydrophobicContact CG-CE3 4.15Å; M411-W452 HydrophobicContact CG-CH2 3.69Å; M411-W452 HydrophobicContact CG-CZ2 3.3Å; M411-W452 HydrophobicContact CG-CZ3 4.1Å; M411-W452 HydrophobicContact SD-CH2 4.06Å; M411-W452 HydrophobicContact SD-CZ2 4.15Å
412	S	97.6	Very high	97.3	Very high	86 Å²	86	47.6 Å²	47.6	60%	0.601	27%	0.268	S	S	*	.	S	Bend	trans	-60.9	-25.6	178.4	58.8	0	0	0	0	113.7	E443	S412-E443 WeakPolarHBondContact CB-OE2 3.45Å; S412-E443 PolarHBondContact N-OE2 3.26Å; S412-E443 PolarHBondContact OG-OE1 3.16Å; S412-E443 PolarHBondContact OG-OE2 2.99Å
413	V	97.8	Very high	97.7	Very high	42 Å²	42	40.7 Å²	40.7	26%	0.255	24%	0.238	S	C	.	.	S	Bend	trans	-139	151.7	173.1	-64.8	0	0	0	0	110.6	M411 R415	M411-V413 WeakPolarHBondContact CB-O 3.49Å; M411-V413 PolarHBondContact O-N 3.33Å; V413-R415 HydrophobicContact CG2-CG 4.09Å
414	P	98	Very high	97.8	Very high	37 Å²	37	39 Å²	39	24%	0.24	23%	0.229	C	C	.	.			trans	-63.2	140.5	170.8	-19.2	31.1	0	0	0	111.7	D391 P393 T434	D391-P414 HydrophobicContact CB-CB 3.85Å; D391-P414 WeakPolarHBondContact O-CB 3.24Å; P393-P414 HydrophobicContact CB-CB 4.46Å; P393-P414 HydrophobicContact CB-CG 4.37Å; P393-P414 HydrophobicContact CG-CG 4.39Å; P414-T434 HydrophobicContact CB-CG2 3.98Å; P414-T434 HydrophobicContact CG-CG2 4.01Å; P414-T434 PolarHBondContact O-OG1 2.8Å
415	R	98.2	Very high	97.7	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.008	23%	0.225	C	C	.	.			trans	-137.5	105.9	-179.1	-54.9	177.8	-179.8	-98.8	0.9	111.5	G381 A392 M411 V413 V418 G431 S441 E443	G381-R415 PolarHBondContact N-O 2.81Å; A392-R415 PolarHBondContact O-N 2.97Å; M411-R415 HydrophobicContact CE-CB 3.95Å; M411-R415 HydrophobicContact CE-CG 4.08Å; M411-R415 HydrophobicContact SD-CB 4.46Å; M411-R415 HydrophobicContact SD-CG 4.18Å; V413-R415 HydrophobicContact CG2-CG 4.09Å; R415-V418 HydrophobicContact CB-CB 3.72Å; R415-V418 HydrophobicContact CB-CG1 4.32Å; R415-V418 HydrophobicContact CB-CG2 3.97Å; R415-G431 WeakPolarHBondContact CD-O 3.21Å; R415-G431 PolarHBondContact NH1-O 3.38Å; R415-S441 PolarHBondContact NH1-O 3.05Å; R415-S441 PolarHBondContact NH1-OG 3.38Å; R415-S441 PolarHBondContact NH2-OG 3.18Å; R415-E443 IonicContact CZ-OE1 3.61Å; R415-E443 VanDerWaalsContact CZ-OE1 3.29Å; R415-E443 IonicContact NE-OE1 2.9Å; R415-E443 PolarHBondContact NE-OE1 3.36Å; R415-E443 IonicContact NH2-OE1 3.28Å; R415-E443 PolarHBondContact NH2-OE1 3.48Å
416	N	97.9	Very high	97.8	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-87	143.4	166.8	177.6	35.9	0	0	0	111	R382 D391 V418 G432 S433	R382-N416 HydrophobicContact CB-CB 4.08Å; R382-N416 PolarHBondContact NE-ND2 2.93Å; R382-N416 PolarHBondContact NH2-ND2 2.92Å; D391-N416 VanDerWaalsContact OD1-CB 3.22Å; D391-N416 WeakPolarHBondContact OD1-CB 3.21Å; N416-V418 PolarHBondContact O-N 3.38Å; N416-G432 CarbonylContact O-C 3.56Å; N416-G432 WeakPolarHBondContact O-CA 3.38Å; N416-S433 PolarHBondContact N-O 3.3Å; N416-S433 PolarHBondContact O-N 3.43Å
417	R	97.7	Very high	97.8	Very high	126 Å²	126	34.6 Å²	34.6	48%	0.475	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.9	-175.4	-62.2	-179.6	178.6	-174.5	-0.9	111.7	G366 I463 G464	G366-R417 WeakPolarHBondContact O-CA 3.31Å; G366-R417 PolarHBondContact O-N 2.83Å; R417-I463 HydrophobicContact CB-CD1 4.14Å; R417-I463 HydrophobicContact CB-CG1 3.63Å; R417-I463 HydrophobicContact CG-CG1 4.47Å; R417-G464 PolarHBondContact O-N 2.82Å
418	V	98.2	Very high	97.8	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.036	17%	0.174	C	C	.	.			trans	-75.6	146.8	171.6	65	0	0	0	0	109.3	S368 V379 R415 N416 A429	S368-V418 PolarHBondContact OG-O 3.4Å; V379-V418 HydrophobicContact CG1-CG1 4.48Å; V379-V418 WeakPolarHBondContact O-CG1 3.14Å; R415-V418 HydrophobicContact CB-CB 3.72Å; R415-V418 HydrophobicContact CB-CG1 4.32Å; R415-V418 HydrophobicContact CB-CG2 3.97Å; N416-V418 PolarHBondContact O-N 3.38Å; V418-A429 HydrophobicContact CG2-CB 4.06Å
419	A	98.4	Very high	97.9	Very high	6 Å²	6	29.4 Å²	29.4	5%	0.05	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.3	169.9	0	0	0	0	0	110.2	V430 L465 V467	A419-V430 PolarHBondContact N-O 2.9Å; A419-V430 PolarHBondContact O-N 3Å; A419-L465 HydrophobicContact CB-CD1 4.39Å; A419-L465 HydrophobicContact CB-CD2 3.58Å; A419-L465 HydrophobicContact CB-CG 3.7Å; A419-V467 HydrophobicContact CB-CB 3.87Å; A419-V467 HydrophobicContact CB-CG2 3.44Å; A419-V467 VanDerWaalsContact CB-CG2 3.44Å
420	V	98.6	Very high	97.9	Very high	19 Å²	19	28.3 Å²	28.3	12%	0.115	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.2	179.1	-60.7	0	0	0	0	112.6	S368 C370 V379 I427 Y428	S368-V420 VanDerWaalsContact CB-CG1 3.46Å; C370-V420 HydrophobicContact CB-CG2 3.91Å; V379-V420 HydrophobicContact CB-CG1 3.76Å; V379-V420 HydrophobicContact CG1-CG1 4.03Å; V379-V420 HydrophobicContact CG2-CG1 3.73Å; V420-I427 HydrophobicContact CB-CG2 4.49Å; V420-Y428 WeakPolarHBondContact CA-O 3.36Å
421	G	98.3	Very high	97.9	Very high	5 Å²	5	24.6 Å²	24.6	5%	0.052	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152	168.8	0	0	0	0	0	110.5	Y428	G421-Y428 PolarHBondContact N-O 3.07Å; G421-Y428 VanDerWaalsContact N-O 3.08Å; G421-Y428 PolarHBondContact O-N 3.3Å
422	V	98.3	Very high	97.9	Very high	42 Å²	42	24.2 Å²	24.2	26%	0.255	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.6	176.2	177.8	0	0	0	0	109.5	C370 V372 M426 I427	C370-V422 HydrophobicContact CB-CG2 3.58Å; V372-V422 HydrophobicContact CG2-CG1 3.82Å; V372-V422 HydrophobicContact CG2-CG2 3.82Å; V422-M426 WeakPolarHBondContact CA-O 3.4Å; V422-I427 HydrophobicContact CG2-CG1 4.39Å
423	V	97.4	Very high	97.9	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.024	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.9	172.6	-179.7	0	0	0	0	108.1	D425 M426 Y428 V469 R472 L474 P494	V423-D425 VanDerWaalsContact C-N 3.33Å; V423-D425 PolarHBondContact O-N 3.37Å; V423-M426 PolarHBondContact N-O 3.3Å; V423-M426 VanDerWaalsContact N-O 3.1Å; V423-M426 WeakPolarHBondContact O-CA 3.48Å; V423-M426 WeakPolarHBondContact O-CB 3.5Å; V423-M426 PolarHBondContact O-N 3.34Å; V423-Y428 HydrophobicContact CB-CD2 4.4Å; V423-Y428 HydrophobicContact CB-CE2 3.82Å; V423-Y428 HydrophobicContact CG2-CE2 4.45Å; V423-V469 HydrophobicContact CG2-CG1 3.59Å; V423-V469 HydrophobicContact CG2-CG2 4.15Å; V423-R472 HydrophobicContact CG1-CB 4.03Å; V423-R472 HydrophobicContact CG1-CG 4.46Å; V423-L474 HydrophobicContact CB-CD1 4.47Å; V423-L474 HydrophobicContact CG2-CD1 3.57Å; V423-L474 HydrophobicContact CG2-CG 4.04Å; V423-P494 HydrophobicContact CG1-CG 4.13Å
424	D	95	Very high	97.9	Very high	43 Å²	43	19.3 Å²	19.3	23%	0.23	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	45.9	176.2	-53	-29.3	0	0	0	114.2	P280 P281 M426 R472	P280-D424 HydrophobicContact CB-CB 3.99Å; P280-D424 HydrophobicContact CG-CB 4.22Å; P281-D424 WeakPolarHBondContact CD-OD2 3.49Å; D424-M426 PolarHBondContact O-N 3.41Å; D424-M426 VanDerWaalsContact O-N 3.12Å; D424-R472 IonicContact OD1-CZ 3.83Å; D424-R472 IonicContact OD1-NE 3.89Å; D424-R472 PolarHBondContact OD1-NE 3.29Å; D424-R472 IonicContact OD1-NH2 3.79Å; D424-R472 IonicContact OD2-CZ 2.62Å; D424-R472 IonicContact OD2-NE 2.66Å; D424-R472 PolarHBondContact OD2-NE 2.99Å; D424-R472 IonicContact OD2-NH2 3.52Å; D424-R472 PolarHBondContact OD2-NH2 2.79Å
425	D	94.6	Very high	97.6	Very high	39 Å²	39	23.1 Å²	23.1	21%	0.209	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	4.2	-173.7	-66.7	-18.5	0	0	0	115.8	T244 V372 R373 V423 P447	T244-D425 WeakPolarHBondContact CG2-OD2 3.37Å; V372-D425 HydrophobicContact CG1-CB 4.19Å; V372-D425 WeakPolarHBondContact CG1-O 3.5Å; R373-D425 IonicContact CZ-OD2 3.98Å; R373-D425 IonicContact NE-OD2 2.65Å; R373-D425 PolarHBondContact NE-OD2 3.4Å; R373-D425 IonicContact NH2-OD2 3.63Å; R373-D425 PolarHBondContact NH2-OD2 3.4Å; V423-D425 VanDerWaalsContact C-N 3.33Å; V423-D425 PolarHBondContact O-N 3.37Å; D425-P447 WeakPolarHBondContact O-CD 3.49Å; D425-P447 WeakPolarHBondContact O-CG 3.26Å
426	M	98.1	Very high	97.4	Very high	40 Å²	40	29 Å²	29	20%	0.197	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.9	176.1	-58	-69.5	172.2	0	0	110.7	V422 V423 D424 Y428 Y445 D446	V422-M426 WeakPolarHBondContact CA-O 3.4Å; V423-M426 PolarHBondContact N-O 3.3Å; V423-M426 VanDerWaalsContact N-O 3.1Å; V423-M426 WeakPolarHBondContact O-CA 3.48Å; V423-M426 WeakPolarHBondContact O-CB 3.5Å; V423-M426 PolarHBondContact O-N 3.34Å; D424-M426 PolarHBondContact O-N 3.41Å; D424-M426 VanDerWaalsContact O-N 3.12Å; M426-Y428 HydrophobicContact CB-CD2 4.39Å; M426-Y428 HydrophobicContact CB-CE2 3.76Å; M426-Y445 WeakPolarHBondContact CA-O 3.18Å; M426-D446 HydrophobicContact CE-CB 4.11Å; M426-D446 WeakPolarHBondContact CE-OD2 3.46Å; M426-D446 VanDerWaalsContact SD-CA 3.5Å; M426-D446 HydrophobicContact SD-CB 3.71Å
427	I	98.8	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.5	179.3	-56.4	169.3	0	0	0	109.1	C370 V372 Y377 V379 M395 V420 V422 K444 Y445	C370-I427 VanDerWaalsContact SG-CG2 3.54Å; V372-I427 HydrophobicContact CG2-CD1 3.86Å; V372-I427 HydrophobicContact CG2-CG1 3.58Å; Y377-I427 HydrophobicContact CD1-CD1 3.74Å; Y377-I427 HydrophobicContact CD2-CD1 3.82Å; Y377-I427 HydrophobicContact CE1-CD1 4.26Å; Y377-I427 HydrophobicContact CE2-CD1 4.35Å; Y377-I427 HydrophobicContact CG-CD1 3.49Å; Y377-I427 VanDerWaalsContact CG-CD1 3.49Å; V379-I427 HydrophobicContact CG2-CG2 4.27Å; M395-I427 HydrophobicContact CE-CB 4.44Å; M395-I427 HydrophobicContact CE-CD1 3.82Å; M395-I427 HydrophobicContact CE-CG2 4.15Å; V420-I427 HydrophobicContact CB-CG2 4.49Å; V422-I427 HydrophobicContact CG2-CG1 4.39Å; I427-K444 CarbonylContact O-C 3.57Å; I427-K444 VanDerWaalsContact O-CA 3.23Å; I427-K444 WeakPolarHBondContact O-CA 3.4Å; I427-Y445 HydrophobicContact CD1-CD1 4.02Å; I427-Y445 PolarHBondContact N-O 3.21Å; I427-Y445 VanDerWaalsContact N-O 3.09Å; I427-Y445 PolarHBondContact O-N 2.94Å
428	Y	98.8	Very high	97.4	Very high	5 Å²	5	30 Å²	30	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.3	179.9	-69.7	-105.3	0	0	0	109.9	V420 G421 V423 M426 E443 K444 I455 L474 Y492	V420-Y428 WeakPolarHBondContact CA-O 3.36Å; G421-Y428 PolarHBondContact N-O 3.07Å; G421-Y428 VanDerWaalsContact N-O 3.08Å; G421-Y428 PolarHBondContact O-N 3.3Å; V423-Y428 HydrophobicContact CB-CD2 4.4Å; V423-Y428 HydrophobicContact CB-CE2 3.82Å; V423-Y428 HydrophobicContact CG2-CE2 4.45Å; M426-Y428 HydrophobicContact CB-CD2 4.39Å; M426-Y428 HydrophobicContact CB-CE2 3.76Å; Y428-E443 CarbonylContact C-O 3.51Å; Y428-K444 HydrophobicContact CD1-CB 3.8Å; Y428-K444 HydrophobicContact CD2-CB 4.35Å; Y428-K444 HydrophobicContact CE1-CB 3.79Å; Y428-K444 HydrophobicContact CE1-CD 3.96Å; Y428-K444 HydrophobicContact CE1-CG 4.47Å; Y428-K444 HydrophobicContact CE2-CB 4.32Å; Y428-K444 HydrophobicContact CG-CB 4.08Å; Y428-I455 HydrophobicContact CD1-CD1 3.75Å; Y428-I455 HydrophobicContact CE1-CD1 4.07Å; Y428-L474 VanDerWaalsContact CB-CD2 3.41Å; Y428-L474 HydrophobicContact CD1-CD1 4.15Å; Y428-L474 HydrophobicContact CD1-CD2 4.17Å; Y428-L474 HydrophobicContact CD2-CD1 4.28Å; Y428-L474 HydrophobicContact CD2-CD2 4.16Å; Y428-L474 HydrophobicContact CE1-CD1 4.3Å; Y428-L474 HydrophobicContact CE2-CD1 4.45Å; Y428-L474 HydrophobicContact CG-CD1 4.15Å; Y428-L474 HydrophobicContact CG-CD2 3.66Å; Y428-Y492 HydrophobicContact CD1-CE1 4.33Å; Y428-Y492 HydrophobicContact CE1-CD1 4.35Å; Y428-Y492 AromaticContact CE1-CE1 3.66Å; Y428-Y492 HydrophobicContact CE1-CE1 3.66Å
429	A	98.7	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.9	170.5	0	0	0	0	0	109.8	V379 M411 V418 S442 E443 W452	V379-A429 HydrophobicContact CG1-CB 4.32Å; M411-A429 HydrophobicContact SD-CB 3.73Å; V418-A429 HydrophobicContact CG2-CB 4.06Å; A429-S442 VanDerWaalsContact O-CA 3.25Å; A429-S442 WeakPolarHBondContact O-CA 3.4Å; A429-S442 WeakPolarHBondContact O-CB 3.3Å; A429-E443 HydrophobicContact CB-CG 4.24Å; A429-E443 PolarHBondContact N-O 2.79Å; A429-E443 PolarHBondContact O-N 2.98Å; A429-E443 VanDerWaalsContact O-N 3.08Å; A429-W452 HydrophobicContact CB-CH2 3.81Å; A429-W452 HydrophobicContact CB-CZ3 3.56Å
430	V	98.7	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.1	-171.2	-175.6	0	0	0	0	110	A419 M458 L465 V467 A476 W499	A419-V430 PolarHBondContact N-O 2.9Å; A419-V430 PolarHBondContact O-N 3Å; V430-M458 HydrophobicContact CG1-CE 3.62Å; V430-M458 HydrophobicContact CG1-CG 4.43Å; V430-M458 HydrophobicContact CG1-SD 3.41Å; V430-M458 WeakPolarHBondContact CG1-SD 3.44Å; V430-L465 HydrophobicContact CG1-CD1 3.81Å; V430-V467 HydrophobicContact CB-CG2 4.07Å; V430-V467 HydrophobicContact CG1-CG2 4.34Å; V430-V467 HydrophobicContact CG2-CG2 4.23Å; V430-A476 HydrophobicContact CG1-CB 4.42Å; V430-W499 HydrophobicContact CG1-CH2 3.94Å; V430-W499 HydrophobicContact CG1-CZ2 4.19Å; V430-W499 HydrophobicContact CG2-CH2 4.26Å; V430-W499 HydrophobicContact CG2-CZ2 4.41Å
431	G	98.6	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.			trans	66.1	-140.2	173.6	0	0	0	0	0	114.3	R415 S441 R462	R415-G431 WeakPolarHBondContact CD-O 3.21Å; R415-G431 PolarHBondContact NH1-O 3.38Å; G431-S441 PolarHBondContact N-O 3.25Å; G431-R462 CarbonylContact C-O 3.54Å; G431-R462 WeakPolarHBondContact CA-O 3.43Å
432	G	98.3	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.			trans	89.4	-164.7	-172.8	0	0	0	0	0	113.1	N416 H439 R462	N416-G432 CarbonylContact O-C 3.56Å; N416-G432 WeakPolarHBondContact O-CA 3.38Å; G432-H439 WeakPolarHBondContact O-CB 3.39Å; G432-H439 PolarHBondContact O-N 3.07Å; G432-R462 PolarHBondContact N-O 2.81Å
433	S	97.7	Very high	97.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.1	176.8	64.9	0	0	0	0	113.4	N416 M437 I463	N416-S433 PolarHBondContact N-O 3.3Å; N416-S433 PolarHBondContact O-N 3.43Å; S433-M437 CarbonylContact C-O 3.52Å; S433-M437 WeakPolarHBondContact CA-O 3.42Å; S433-M437 VanDerWaalsContact CB-O 3.25Å; S433-M437 WeakPolarHBondContact CB-O 3.26Å; S433-I463 WeakPolarHBondContact OG-CD1 3.03Å
434	T	97.2	Very high	97.5	Very high	22 Å²	22	36.1 Å²	36.1	14%	0.135	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.9	162.1	-42	0	0	0	0	108.8	D391 P414 T436 M437 H439	D391-T434 HydrophobicContact CB-CG2 4.39Å; D391-T434 WeakPolarHBondContact OD2-CA 3.25Å; P414-T434 HydrophobicContact CB-CG2 3.98Å; P414-T434 HydrophobicContact CG-CG2 4.01Å; P414-T434 PolarHBondContact O-OG1 2.8Å; T434-T436 PolarHBondContact O-N 3.3Å; T434-M437 PolarHBondContact N-O 3.15Å; T434-M437 WeakPolarHBondContact O-CB 3.43Å; T434-M437 PolarHBondContact O-N 2.73Å; T434-H439 PolarHBondContact OG1-NE2 3.33Å
435	N	93.2	Very high	97.6	Very high	116 Å²	116	34.3 Å²	34.3	62%	0.62	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	-111.1	-174.4	-59.2	-46.9	0	0	0	110.6	D391	D391-N435 PolarHBondContact OD2-N 2.89Å
436	T	92.9	Very high	97.8	Very high	127 Å²	127	33.7 Å²	33.7	78%	0.779	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-8.2	177.6	55	0	0	0	0	113.4	T434 H438	T434-T436 PolarHBondContact O-N 3.3Å; T436-H438 PolarHBondContact O-ND1 3.28Å
437	M	96.9	Very high	97.7	Very high	106 Å²	106	32.9 Å²	32.9	52%	0.522	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.5	-177.3	-169.1	173	80.8	0	0	110.8	S433 T434 H439	S433-M437 CarbonylContact C-O 3.52Å; S433-M437 WeakPolarHBondContact CA-O 3.42Å; S433-M437 VanDerWaalsContact CB-O 3.25Å; S433-M437 WeakPolarHBondContact CB-O 3.26Å; T434-M437 PolarHBondContact N-O 3.15Å; T434-M437 WeakPolarHBondContact O-CB 3.43Å; T434-M437 PolarHBondContact O-N 2.73Å; M437-H439 WeakPolarHBondContact CE-CE1 3.39Å
438	H	98	Very high	97.5	Very high	47 Å²	47	38.1 Å²	38.1	22%	0.218	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.2	176.8	-60.2	81.8	0	0	0	109.7	T436 R461 I463 F480	T436-H438 PolarHBondContact O-ND1 3.28Å; H438-R461 HydrophobicContact CB-CB 4.01Å; H438-R461 HydrophobicContact CB-CG 4.48Å; H438-R461 WeakPolarHBondContact O-CD 3.41Å; H438-R461 WeakPolarHBondContact O-CG 3.16Å; H438-I463 VanDerWaalsContact CD2-CG2 3.5Å; H438-I463 WeakPolarHBondContact CD2-CG2 3.31Å; H438-F480 AromaticContact NE2-CD1 3.71Å; H438-F480 AromaticContact NE2-CE1 3.69Å
439	H	98.2	Very high	97.4	Very high	11 Å²	11	43.3 Å²	43.3	5%	0.051	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-93.5	140.8	-174.5	-65.6	-68	0	0	0	112.1	G432 T434 M437 R461 R462	G432-H439 WeakPolarHBondContact O-CB 3.39Å; G432-H439 PolarHBondContact O-N 3.07Å; T434-H439 PolarHBondContact OG1-NE2 3.33Å; M437-H439 WeakPolarHBondContact CE-CE1 3.39Å; H439-R461 WeakPolarHBondContact O-CA 3.44Å; H439-R462 PolarHBondContact O-N 2.82Å
440	K	98.3	Very high	97.4	Very high	101 Å²	101	46.8 Å²	46.8	44%	0.439	25%	0.246	S	C	.	.			trans	-108.7	-9.2	158.8	67.2	179.8	-167.9	164.2	0	112.6	S457 M458 S460 R461	K440-S457 WeakPolarHBondContact O-CA 3.32Å; K440-S457 WeakPolarHBondContact O-CB 3.39Å; K440-M458 HydrophobicContact CB-CB 4.49Å; K440-M458 WeakPolarHBondContact CD-O 3.43Å; K440-M458 PolarHBondContact O-N 2.82Å; K440-S460 VanDerWaalsContact CB-O 3.29Å; K440-S460 WeakPolarHBondContact CB-O 3.46Å; K440-R461 HydrophobicContact CB-CG 4.06Å; K440-R461 HydrophobicContact CG-CG 4.48Å
441	S	98.5	Very high	97.4	Very high	36 Å²	36	51.9 Å²	51.9	25%	0.252	27%	0.27	S	S	.	.			trans	-70.8	152.1	179	61.1	0	0	0	0	110.6	R415 G431	R415-S441 PolarHBondContact NH1-O 3.05Å; R415-S441 PolarHBondContact NH1-OG 3.38Å; R415-S441 PolarHBondContact NH2-OG 3.18Å; G431-S441 PolarHBondContact N-O 3.25Å
442	S	98.6	Very high	97.4	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154	176.4	-59.4	0	0	0	0	109.1	A429 I455	A429-S442 VanDerWaalsContact O-CA 3.25Å; A429-S442 WeakPolarHBondContact O-CA 3.4Å; A429-S442 WeakPolarHBondContact O-CB 3.3Å; S442-I455 WeakPolarHBondContact O-CG1 3.26Å; S442-I455 PolarHBondContact O-N 3.02Å
443	E	98.8	Very high	97.4	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.5	179.3	54.1	-166.4	125.5	0	0	108.7	S412 R415 Y428 A429 W452 I453	S412-E443 WeakPolarHBondContact CB-OE2 3.45Å; S412-E443 PolarHBondContact N-OE2 3.26Å; S412-E443 PolarHBondContact OG-OE1 3.16Å; S412-E443 PolarHBondContact OG-OE2 2.99Å; R415-E443 IonicContact CZ-OE1 3.61Å; R415-E443 VanDerWaalsContact CZ-OE1 3.29Å; R415-E443 IonicContact NE-OE1 2.9Å; R415-E443 PolarHBondContact NE-OE1 3.36Å; R415-E443 IonicContact NH2-OE1 3.28Å; R415-E443 PolarHBondContact NH2-OE1 3.48Å; Y428-E443 CarbonylContact C-O 3.51Å; A429-E443 HydrophobicContact CB-CG 4.24Å; A429-E443 PolarHBondContact N-O 2.79Å; A429-E443 PolarHBondContact O-N 2.98Å; A429-E443 VanDerWaalsContact O-N 3.08Å; E443-W452 HydrophobicContact CB-CE3 4.13Å; E443-W452 HydrophobicContact CG-CD2 4.34Å; E443-W452 HydrophobicContact CG-CE3 3.55Å; E443-W452 HydrophobicContact CG-CZ3 4.01Å; E443-I453 CarbonylContact C-O 3.54Å; E443-I453 WeakPolarHBondContact CA-O 3.45Å
444	K	98.6	Very high	97.4	Very high	56 Å²	56	61.3 Å²	61.3	24%	0.243	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.6	175.2	70.6	-178.4	-178.4	-177.6	0	110.5	I427 Y428 W452 I453 I455	I427-K444 CarbonylContact O-C 3.57Å; I427-K444 VanDerWaalsContact O-CA 3.23Å; I427-K444 WeakPolarHBondContact O-CA 3.4Å; Y428-K444 HydrophobicContact CD1-CB 3.8Å; Y428-K444 HydrophobicContact CD2-CB 4.35Å; Y428-K444 HydrophobicContact CE1-CB 3.79Å; Y428-K444 HydrophobicContact CE1-CD 3.96Å; Y428-K444 HydrophobicContact CE1-CG 4.47Å; Y428-K444 HydrophobicContact CE2-CB 4.32Å; Y428-K444 HydrophobicContact CG-CB 4.08Å; K444-W452 CarbonylContact O-C 3.57Å; K444-W452 WeakPolarHBondContact O-CA 3.41Å; K444-I453 HydrophobicContact CG-CB 4.14Å; K444-I453 PolarHBondContact N-O 3.1Å; K444-I453 PolarHBondContact O-N 3.21Å; K444-I455 HydrophobicContact CB-CG2 4.33Å; K444-I455 HydrophobicContact CD-CG2 3.97Å; K444-I455 HydrophobicContact CG-CG2 3.96Å
445	Y	98.7	Very high	97.5	Very high	5 Å²	5	61 Å²	61	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.6	176.9	174.6	-99.7	0	0	0	109.8	Y377 M395 C408 A409 M426 I427 P447 D450 Q451 W452	Y377-Y445 HydrophobicContact CE1-CE1 4.09Å; M395-Y445 HydrophobicContact CE-CD1 4.09Å; M395-Y445 HydrophobicContact CE-CG 4.15Å; C408-Y445 HydrophobicContact CB-CE2 4.42Å; A409-Y445 HydrophobicContact CB-CE2 4.42Å; M426-Y445 WeakPolarHBondContact CA-O 3.18Å; I427-Y445 HydrophobicContact CD1-CD1 4.02Å; I427-Y445 PolarHBondContact N-O 3.21Å; I427-Y445 VanDerWaalsContact N-O 3.09Å; I427-Y445 PolarHBondContact O-N 2.94Å; Y445-P447 HydrophobicContact CD1-CG 4.02Å; Y445-P447 VanDerWaalsContact CE1-CA 3.5Å; Y445-P447 HydrophobicContact CE1-CB 3.98Å; Y445-P447 HydrophobicContact CE1-CG 3.92Å; Y445-P447 WeakPolarHBondContact O-CD 3.47Å; Y445-D450 WeakPolarHBondContact CE2-OD1 3.27Å; Y445-D450 PolarHBondContact OH-OD1 2.84Å; Y445-Q451 WeakPolarHBondContact CA-O 3.28Å; Y445-W452 AromaticContact CD2-CD1 3.8Å; Y445-W452 HydrophobicContact CD2-CD2 4.05Å; Y445-W452 AromaticContact CD2-CE2 3.75Å; Y445-W452 HydrophobicContact CD2-CG 4.13Å; Y445-W452 HydrophobicContact CD2-CZ2 4.32Å; Y445-W452 AromaticContact CD2-NE1 3.55Å; Y445-W452 HydrophobicContact CG-CD2 4.31Å; Y445-W452 HydrophobicContact CG-CZ2 4.26Å
446	D	97.6	Very high	97.7	Very high	25 Å²	25	56.8 Å²	56.8	13%	0.134	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.3	172.3	-175	-25.7	0	0	0	109.7	M426 D448 M449 D450 Q451	M426-D446 HydrophobicContact CE-CB 4.11Å; M426-D446 WeakPolarHBondContact CE-OD2 3.46Å; M426-D446 VanDerWaalsContact SD-CA 3.5Å; M426-D446 HydrophobicContact SD-CB 3.71Å; D446-D448 PolarHBondContact O-N 2.9Å; D446-D448 WeakPolarHBondContact OD1-CA 3.32Å; D446-D448 WeakPolarHBondContact OD1-CB 3.47Å; D446-D448 PolarHBondContact OD1-N 2.8Å; D446-M449 HydrophobicContact CB-CB 4.12Å; D446-M449 HydrophobicContact CB-CG 4.45Å; D446-M449 PolarHBondContact O-N 3.04Å; D446-M449 PolarHBondContact OD1-N 3.39Å; D446-M449 WeakPolarHBondContact OD2-CG 3.5Å; D446-D450 WeakPolarHBondContact O-CA 3.43Å; D446-D450 PolarHBondContact O-N 3.15Å; D446-Q451 PolarHBondContact N-O 2.89Å; D446-Q451 PolarHBondContact O-N 3.4Å
447	P	96.3	Very high	98	Very high	23 Å²	23	53.4 Å²	53.4	15%	0.149	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.4	179.5	-21.5	33.4	0	0	0	115	V372 D425 Y445	V372-P447 HydrophobicContact CG1-CG 4.2Å; D425-P447 WeakPolarHBondContact O-CD 3.49Å; D425-P447 WeakPolarHBondContact O-CG 3.26Å; Y445-P447 HydrophobicContact CD1-CG 4.02Å; Y445-P447 VanDerWaalsContact CE1-CA 3.5Å; Y445-P447 HydrophobicContact CE1-CB 3.98Å; Y445-P447 HydrophobicContact CE1-CG 3.92Å; Y445-P447 WeakPolarHBondContact O-CD 3.47Å
448	D	94.7	Very high	98.1	Very high	110 Å²	110	48.4 Å²	48.4	59%	0.588	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-34	178.9	-67.7	-46	0	0	0	111.2	R373 D446	R373-D448 IonicContact CZ-OD1 3.15Å; R373-D448 IonicContact CZ-OD2 3.55Å; R373-D448 VanDerWaalsContact NH1-CG 3.3Å; R373-D448 IonicContact NH1-OD1 3.81Å; R373-D448 PolarHBondContact NH1-OD1 3.17Å; R373-D448 IonicContact NH1-OD2 3.6Å; R373-D448 PolarHBondContact NH1-OD2 2.99Å; R373-D448 IonicContact NH2-OD1 3.36Å; R373-D448 IonicContact NH2-OD2 3.33Å; R373-D448 PolarHBondContact NH2-OD2 3.04Å; D446-D448 PolarHBondContact O-N 2.9Å; D446-D448 WeakPolarHBondContact OD1-CA 3.32Å; D446-D448 WeakPolarHBondContact OD1-CB 3.47Å; D446-D448 PolarHBondContact OD1-N 2.8Å
449	M	97.1	Very high	98.1	Very high	114 Å²	114	50.4 Å²	50.4	56%	0.562	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-13	178.2	-62.2	-61.6	-62.3	0	0	113.8	D446 Q451	D446-M449 HydrophobicContact CB-CB 4.12Å; D446-M449 HydrophobicContact CB-CG 4.45Å; D446-M449 PolarHBondContact O-N 3.04Å; D446-M449 PolarHBondContact OD1-N 3.39Å; D446-M449 WeakPolarHBondContact OD2-CG 3.5Å; M449-Q451 VanDerWaalsContact C-N 3.31Å; M449-Q451 HydrophobicContact CB-CB 4.24Å; M449-Q451 HydrophobicContact CB-CG 4.47Å; M449-Q451 WeakPolarHBondContact O-CG 3.36Å; M449-Q451 PolarHBondContact O-N 3.19Å
450	D	98	Very high	98	Very high	73 Å²	73	51.5 Å²	51.5	39%	0.39	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	50.2	-170.4	-171.6	24.5	0	0	0	111.5	A409 Y445 D446	A409-D450 WeakPolarHBondContact CB-O 3.31Å; A409-D450 VanDerWaalsContact CB-OD1 3.29Å; A409-D450 WeakPolarHBondContact CB-OD1 3.46Å; A409-D450 PolarHBondContact N-OD1 2.82Å; Y445-D450 WeakPolarHBondContact CE2-OD1 3.27Å; Y445-D450 PolarHBondContact OH-OD1 2.84Å; D446-D450 WeakPolarHBondContact O-CA 3.43Å; D446-D450 PolarHBondContact O-N 3.15Å
451	Q	98.3	Very high	98	Very high	107 Å²	107	51.9 Å²	51.9	50%	0.5	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.4	-173.5	-76.7	177.8	12.7	0	0	112.7	Y445 D446 M449	Y445-Q451 WeakPolarHBondContact CA-O 3.28Å; D446-Q451 PolarHBondContact N-O 2.89Å; D446-Q451 PolarHBondContact O-N 3.4Å; M449-Q451 VanDerWaalsContact C-N 3.31Å; M449-Q451 HydrophobicContact CB-CB 4.24Å; M449-Q451 HydrophobicContact CB-CG 4.47Å; M449-Q451 WeakPolarHBondContact O-CG 3.36Å; M449-Q451 PolarHBondContact O-N 3.19Å
452	W	98.7	Very high	98	Very high	33 Å²	33	50.2 Å²	50.2	13%	0.125	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.2	168.8	-68.2	90.4	0	0	0	111.1	V379 M395 A409 M411 A429 E443 K444 Y445	V379-W452 HydrophobicContact CG1-CH2 3.89Å; V379-W452 HydrophobicContact CG1-CZ2 4.21Å; M395-W452 HydrophobicContact CB-CZ2 4.44Å; M395-W452 HydrophobicContact CE-CH2 3.66Å; M395-W452 HydrophobicContact CE-CZ2 3.31Å; M395-W452 HydrophobicContact CG-CZ2 4.49Å; M395-W452 HydrophobicContact SD-CZ2 4.46Å; A409-W452 PolarHBondContact O-NE1 3.29Å; M411-W452 HydrophobicContact CB-CD2 4.49Å; M411-W452 HydrophobicContact CG-CD2 3.82Å; M411-W452 HydrophobicContact CG-CE3 4.15Å; M411-W452 HydrophobicContact CG-CH2 3.69Å; M411-W452 HydrophobicContact CG-CZ2 3.3Å; M411-W452 HydrophobicContact CG-CZ3 4.1Å; M411-W452 HydrophobicContact SD-CH2 4.06Å; M411-W452 HydrophobicContact SD-CZ2 4.15Å; A429-W452 HydrophobicContact CB-CH2 3.81Å; A429-W452 HydrophobicContact CB-CZ3 3.56Å; E443-W452 HydrophobicContact CB-CE3 4.13Å; E443-W452 HydrophobicContact CG-CD2 4.34Å; E443-W452 HydrophobicContact CG-CE3 3.55Å; E443-W452 HydrophobicContact CG-CZ3 4.01Å; K444-W452 CarbonylContact O-C 3.57Å; K444-W452 WeakPolarHBondContact O-CA 3.41Å; Y445-W452 AromaticContact CD2-CD1 3.8Å; Y445-W452 HydrophobicContact CD2-CD2 4.05Å; Y445-W452 AromaticContact CD2-CE2 3.75Å; Y445-W452 HydrophobicContact CD2-CG 4.13Å; Y445-W452 HydrophobicContact CD2-CZ2 4.32Å; Y445-W452 AromaticContact CD2-NE1 3.55Å; Y445-W452 HydrophobicContact CG-CD2 4.31Å; Y445-W452 HydrophobicContact CG-CZ2 4.26Å
453	I	98.4	Very high	98	Very high	67 Å²	67	50.8 Å²	50.8	34%	0.344	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.1	-176.9	-56.4	170.3	0	0	0	107.8	E443 K444	E443-I453 CarbonylContact C-O 3.54Å; E443-I453 WeakPolarHBondContact CA-O 3.45Å; K444-I453 HydrophobicContact CG-CB 4.14Å; K444-I453 PolarHBondContact N-O 3.1Å; K444-I453 PolarHBondContact O-N 3.21Å
454	P	98.5	Very high	98	Very high	102 Å²	102	51.1 Å²	51.1	66%	0.662	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	144	174.5	-23.6	34	0	0	0	112
455	I	98.6	Very high	98	Very high	16 Å²	16	49 Å²	49	8%	0.082	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	175.7	171.7	60.7	155.7	0	0	0	109.9	Y428 S442 K444 S457 Y492 D497	Y428-I455 HydrophobicContact CD1-CD1 3.75Å; Y428-I455 HydrophobicContact CE1-CD1 4.07Å; S442-I455 WeakPolarHBondContact O-CG1 3.26Å; S442-I455 PolarHBondContact O-N 3.02Å; K444-I455 HydrophobicContact CB-CG2 4.33Å; K444-I455 HydrophobicContact CD-CG2 3.97Å; K444-I455 HydrophobicContact CG-CG2 3.96Å; I455-S457 PolarHBondContact O-N 3.12Å; I455-Y492 HydrophobicContact CB-CE2 4.41Å; I455-Y492 HydrophobicContact CD1-CD2 4.32Å; I455-Y492 HydrophobicContact CD1-CE1 4.05Å; I455-Y492 HydrophobicContact CD1-CE2 3.83Å; I455-D497 WeakPolarHBondContact CB-OD1 3.5Å
456	A	98.6	Very high	97.9	Very high	26 Å²	26	49.1 Å²	49.1	22%	0.215	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-52.5	141.1	174.2	0	0	0	0	0	111.9	Y492 D497 W499	A456-Y492 HydrophobicContact CB-CE2 4.25Å; A456-D497 WeakPolarHBondContact CB-O 3.32Å; A456-D497 PolarHBondContact N-OD1 3.33Å; A456-W499 PolarHBondContact O-NE1 2.8Å
457	S	98.6	Very high	98	Very high	56 Å²	56	48.6 Å²	48.6	39%	0.392	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-84.1	150.3	177.3	-63.4	0	0	0	0	111.1	K440 I455 W499	K440-S457 WeakPolarHBondContact O-CA 3.32Å; K440-S457 WeakPolarHBondContact O-CB 3.39Å; I455-S457 PolarHBondContact O-N 3.12Å; S457-W499 VanDerWaalsContact C-CD1 3.41Å; S457-W499 VanDerWaalsContact O-CD1 3.23Å
458	M	98.6	Very high	98.1	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-63	161.1	169.1	-64.6	176.1	-64.2	0	0	111.1	V430 K440 R462 L465 A476 E490 W499	V430-M458 HydrophobicContact CG1-CE 3.62Å; V430-M458 HydrophobicContact CG1-CG 4.43Å; V430-M458 HydrophobicContact CG1-SD 3.41Å; V430-M458 WeakPolarHBondContact CG1-SD 3.44Å; K440-M458 HydrophobicContact CB-CB 4.49Å; K440-M458 WeakPolarHBondContact CD-O 3.43Å; K440-M458 PolarHBondContact O-N 2.82Å; M458-R462 HydrophobicContact CE-CB 4.02Å; M458-R462 HydrophobicContact CE-CG 4.12Å; M458-R462 VanDerWaalsContact SD-CD 3.59Å; M458-R462 HydrophobicContact SD-CG 4.26Å; M458-L465 HydrophobicContact CE-CD1 4.5Å; M458-L465 HydrophobicContact SD-CD1 4.24Å; M458-A476 HydrophobicContact SD-CB 3.74Å; M458-E490 WeakPolarHBondContact CA-OE2 3.18Å; M458-W499 HydrophobicContact CG-CD2 3.71Å; M458-W499 HydrophobicContact CG-CE3 3.97Å; M458-W499 HydrophobicContact CG-CG 4.28Å; M458-W499 HydrophobicContact CG-CH2 4.12Å; M458-W499 HydrophobicContact CG-CZ2 3.86Å; M458-W499 HydrophobicContact CG-CZ3 4.17Å; M458-W499 HydrophobicContact SD-CH2 4.36Å; M458-W499 HydrophobicContact SD-CZ3 4.49Å
459	N	97.9	Very high	98.3	Very high	88 Å²	88	44.6 Å²	44.6	47%	0.471	24%	0.244	S	C	.	.	S	Bend	trans	-67	-42.5	174.5	-67.1	-31.7	0	0	0	111.1	E490	N459-E490 WeakPolarHBondContact CB-OE2 3.39Å; N459-E490 PolarHBondContact N-OE2 2.88Å
460	S	96.9	Very high	98.3	Very high	35 Å²	35	39.9 Å²	39.9	25%	0.245	22%	0.221	C	C	.	.	S	Bend	trans	-110.2	151.7	-178.3	-64.2	0	0	0	0	112.6	K440	K440-S460 VanDerWaalsContact CB-O 3.29Å; K440-S460 WeakPolarHBondContact CB-O 3.46Å
461	R	98.5	Very high	98.2	Very high	109 Å²	109	38.6 Å²	38.6	41%	0.411	21%	0.214	S	C	.	.			trans	-70.7	141.5	168.2	-64.5	175.3	-63.7	-95.7	-0.1	109.1	H438 H439 K440 D481	H438-R461 HydrophobicContact CB-CB 4.01Å; H438-R461 HydrophobicContact CB-CG 4.48Å; H438-R461 WeakPolarHBondContact O-CD 3.41Å; H438-R461 WeakPolarHBondContact O-CG 3.16Å; H439-R461 WeakPolarHBondContact O-CA 3.44Å; K440-R461 HydrophobicContact CB-CG 4.06Å; K440-R461 HydrophobicContact CG-CG 4.48Å; R461-D481 HydrophobicContact CB-CB 4.47Å; R461-D481 PolarHBondContact NE-O 3.02Å; R461-D481 VanDerWaalsContact O-CA 3.27Å; R461-D481 WeakPolarHBondContact O-CA 3.49Å; R461-D481 WeakPolarHBondContact O-CB 3.44Å
462	R	98.6	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.			trans	-144.4	110.9	-177.2	-59.6	-174.8	-176	-97.1	-1.4	111.1	G431 G432 H439 M458 L465 G478 F480 L486 T488 E490	G431-R462 CarbonylContact C-O 3.54Å; G431-R462 WeakPolarHBondContact CA-O 3.43Å; G432-R462 PolarHBondContact N-O 2.81Å; H439-R462 PolarHBondContact O-N 2.82Å; M458-R462 HydrophobicContact CE-CB 4.02Å; M458-R462 HydrophobicContact CE-CG 4.12Å; M458-R462 VanDerWaalsContact SD-CD 3.59Å; M458-R462 HydrophobicContact SD-CG 4.26Å; R462-L465 HydrophobicContact CB-CB 4.09Å; R462-L465 HydrophobicContact CB-CD1 3.89Å; R462-L465 HydrophobicContact CB-CD2 4.33Å; R462-L465 HydrophobicContact CB-CG 4.32Å; R462-L465 HydrophobicContact CG-CD1 4.5Å; R462-G478 PolarHBondContact NH1-O 2.88Å; R462-F480 CarbonylContact C-O 3.6Å; R462-F480 WeakPolarHBondContact CA-O 3.49Å; R462-L486 HydrophobicContact CG-CD1 3.99Å; R462-T488 PolarHBondContact NH1-O 2.89Å; R462-T488 PolarHBondContact NH1-OG1 3.14Å; R462-T488 PolarHBondContact NH2-OG1 3.02Å; R462-E490 IonicContact CZ-OE1 2.7Å; R462-E490 IonicContact NE-OE1 3.33Å; R462-E490 PolarHBondContact NE-OE1 3.08Å; R462-E490 VanDerWaalsContact NE-OE1 3.14Å; R462-E490 IonicContact NH2-OE1 2.83Å; R462-E490 PolarHBondContact NH2-OE1 3.09Å
463	I	98.1	Very high	98.1	Very high	17 Å²	17	33.9 Å²	33.9	9%	0.087	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-105	140.7	163	-170.5	-172.7	0	0	0	110	R417 S433 H438 L465 G479 F480	R417-I463 HydrophobicContact CB-CD1 4.14Å; R417-I463 HydrophobicContact CB-CG1 3.63Å; R417-I463 HydrophobicContact CG-CG1 4.47Å; S433-I463 WeakPolarHBondContact OG-CD1 3.03Å; H438-I463 VanDerWaalsContact CD2-CG2 3.5Å; H438-I463 WeakPolarHBondContact CD2-CG2 3.31Å; I463-L465 PolarHBondContact O-N 2.87Å; I463-G479 CarbonylContact O-C 3.24Å; I463-G479 WeakPolarHBondContact O-CA 3.32Å; I463-F480 HydrophobicContact CG2-CB 3.72Å; I463-F480 HydrophobicContact CG2-CD1 3.71Å; I463-F480 HydrophobicContact CG2-CG 4.2Å; I463-F480 WeakPolarHBondContact CG2-O 3.46Å; I463-F480 PolarHBondContact N-O 2.84Å; I463-F480 PolarHBondContact O-N 2.8Å
464	G	97.8	Very high	98.1	Very high	9 Å²	9	30.7 Å²	30.7	9%	0.093	18%	0.176	C	C	.	.	S	Bend	trans	62.6	28.6	178.7	0	0	0	0	0	112.6	R417 G511	R417-G464 PolarHBondContact O-N 2.82Å; G464-G511 PolarHBondContact O-N 2.96Å
465	L	98.5	Very high	98.1	Very high	11 Å²	11	26.1 Å²	26.1	6%	0.058	15%	0.146	C	C	.	.			trans	-69.4	164.7	163.7	75.9	173.3	0	0	0	110.3	A419 V430 M458 R462 I463 V467 A476	A419-L465 HydrophobicContact CB-CD1 4.39Å; A419-L465 HydrophobicContact CB-CD2 3.58Å; A419-L465 HydrophobicContact CB-CG 3.7Å; V430-L465 HydrophobicContact CG1-CD1 3.81Å; M458-L465 HydrophobicContact CE-CD1 4.5Å; M458-L465 HydrophobicContact SD-CD1 4.24Å; R462-L465 HydrophobicContact CB-CB 4.09Å; R462-L465 HydrophobicContact CB-CD1 3.89Å; R462-L465 HydrophobicContact CB-CD2 4.33Å; R462-L465 HydrophobicContact CB-CG 4.32Å; R462-L465 HydrophobicContact CG-CD1 4.5Å; I463-L465 PolarHBondContact O-N 2.87Å; L465-V467 HydrophobicContact CD1-CG2 4.17Å; L465-V467 HydrophobicContact CG-CG2 4.48Å; L465-A476 HydrophobicContact CD1-CB 3.87Å
466	G	98.4	Very high	98.1	Very high	8 Å²	8	25.3 Å²	25.3	8%	0.082	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	154.2	160.2	0	0	0	0	0	111.3	V477	G466-V477 PolarHBondContact N-O 3.17Å; G466-V477 VanDerWaalsContact N-O 3.09Å; G466-V477 PolarHBondContact O-N 2.86Å
467	V	98.7	Very high	98.1	Very high	15 Å²	15	24.4 Å²	24.4	9%	0.091	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.1	173.7	167	0	0	0	0	109.3	A419 V430 L465 L474 Y475	A419-V467 HydrophobicContact CB-CB 3.87Å; A419-V467 HydrophobicContact CB-CG2 3.44Å; A419-V467 VanDerWaalsContact CB-CG2 3.44Å; V430-V467 HydrophobicContact CB-CG2 4.07Å; V430-V467 HydrophobicContact CG1-CG2 4.34Å; V430-V467 HydrophobicContact CG2-CG2 4.23Å; L465-V467 HydrophobicContact CD1-CG2 4.17Å; L465-V467 HydrophobicContact CG-CG2 4.48Å; V467-L474 HydrophobicContact CG1-CD2 4.16Å; V467-Y475 VanDerWaalsContact CA-O 3.29Å; V467-Y475 WeakPolarHBondContact CA-O 3.37Å
468	A	98.5	Very high	98.1	Very high	5 Å²	5	21.8 Å²	21.8	4%	0.041	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.1	166.9	0	0	0	0	0	110.3	Y475 V514 A516 I521	A468-Y475 PolarHBondContact N-O 2.79Å; A468-Y475 PolarHBondContact O-N 3.39Å; A468-V514 HydrophobicContact CB-CG1 3.83Å; A468-A516 HydrophobicContact CB-CB 4.23Å; A468-I521 HydrophobicContact CB-CB 4.49Å; A468-I521 HydrophobicContact CB-CD1 4.31Å; A468-I521 HydrophobicContact CB-CG1 4.12Å; A468-I521 HydrophobicContact CB-CG2 3.67Å
469	V	98	Very high	98.1	Very high	44 Å²	44	21.7 Å²	21.7	27%	0.267	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.3	174.2	179.8	0	0	0	0	109	V423 L473 L474 A516	V423-V469 HydrophobicContact CG2-CG1 3.59Å; V423-V469 HydrophobicContact CG2-CG2 4.15Å; V469-L473 WeakPolarHBondContact CA-O 3.49Å; V469-L474 HydrophobicContact CG2-CG 4.2Å; V469-A516 VanDerWaalsContact O-CB 3.24Å; V469-A516 WeakPolarHBondContact O-CB 3.29Å
470	L	97.3	Very high	98.2	Very high	14 Å²	14	19 Å²	19	7%	0.073	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	128.5	177	-178.1	64.3	0	0	0	109.5	R472 L473 Y475 A516 G518 E519 I521 P541	L470-R472 VanDerWaalsContact C-N 3.3Å; L470-R472 PolarHBondContact O-N 2.85Å; L470-L473 PolarHBondContact N-O 2.76Å; L470-L473 WeakPolarHBondContact O-CB 3.23Å; L470-L473 PolarHBondContact O-N 2.75Å; L470-Y475 HydrophobicContact CB-CD2 4.46Å; L470-Y475 HydrophobicContact CB-CE2 3.94Å; L470-A516 HydrophobicContact CB-CB 4.3Å; L470-G518 WeakPolarHBondContact CD1-O 3.38Å; L470-E519 WeakPolarHBondContact CD2-O 3.32Å; L470-I521 HydrophobicContact CB-CD1 4.24Å; L470-I521 HydrophobicContact CB-CG1 4.3Å; L470-I521 HydrophobicContact CD2-CD1 4.33Å; L470-I521 HydrophobicContact CD2-CG1 4.07Å; L470-P541 HydrophobicContact CD2-CG 3.57Å
471	N	96.2	Very high	98.2	Very high	46 Å²	46	18.3 Å²	18.3	25%	0.246	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	46.8	-177.1	-55.6	-31	0	0	0	112.9	H314 L473	H314-N471 HydrophobicContact CB-CB 4.45Å; H314-N471 WeakPolarHBondContact CB-O 3.5Å; H314-N471 PolarHBondContact ND1-O 2.67Å; N471-L473 PolarHBondContact O-N 2.8Å; N471-L473 VanDerWaalsContact O-N 3.11Å
472	R	96.8	Very high	98.1	Very high	29 Å²	29	14.6 Å²	14.6	11%	0.109	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	10	-177.4	-59	-179.7	56.2	-105.1	-9.6	116.2	L311 H314 V423 D424 L470 P494 E495	L311-R472 PolarHBondContact O-NH1 2.92Å; H314-R472 PolarHBondContact CE1-NH1 2.79Å; V423-R472 HydrophobicContact CG1-CB 4.03Å; V423-R472 HydrophobicContact CG1-CG 4.46Å; D424-R472 IonicContact OD1-CZ 3.83Å; D424-R472 IonicContact OD1-NE 3.89Å; D424-R472 PolarHBondContact OD1-NE 3.29Å; D424-R472 IonicContact OD1-NH2 3.79Å; D424-R472 IonicContact OD2-CZ 2.62Å; D424-R472 IonicContact OD2-NE 2.66Å; D424-R472 PolarHBondContact OD2-NE 2.99Å; D424-R472 IonicContact OD2-NH2 3.52Å; D424-R472 PolarHBondContact OD2-NH2 2.79Å; L470-R472 VanDerWaalsContact C-N 3.3Å; L470-R472 PolarHBondContact O-N 2.85Å; R472-P494 WeakPolarHBondContact O-CD 3.13Å; R472-P494 WeakPolarHBondContact O-CG 3.28Å; R472-E495 IonicContact CZ-OE1 3.36Å; R472-E495 VanDerWaalsContact CZ-OE1 3.23Å; R472-E495 IonicContact NH1-OE1 3.62Å; R472-E495 PolarHBondContact NH1-OE1 3.06Å; R472-E495 IonicContact NH2-OE1 2.73Å; R472-E495 PolarHBondContact NH2-OE1 3.39Å
473	L	98.5	Very high	98	Very high	13 Å²	13	22.3 Å²	22.3	7%	0.068	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.3	174.6	-62.7	166.7	0	0	0	109.8	H314 V469 L470 N471 Y475 Y492 D493	H314-L473 HydrophobicContact CB-CD1 4.05Å; H314-L473 HydrophobicContact CB-CG 4.3Å; V469-L473 WeakPolarHBondContact CA-O 3.49Å; L470-L473 PolarHBondContact N-O 2.76Å; L470-L473 WeakPolarHBondContact O-CB 3.23Å; L470-L473 PolarHBondContact O-N 2.75Å; N471-L473 PolarHBondContact O-N 2.8Å; N471-L473 VanDerWaalsContact O-N 3.11Å; L473-Y475 HydrophobicContact CB-CD2 4.43Å; L473-Y475 HydrophobicContact CB-CE2 3.7Å; L473-Y475 WeakPolarHBondContact O-CD2 3.24Å; L473-Y492 WeakPolarHBondContact CD2-O 3.38Å; L473-D493 HydrophobicContact CD2-CB 3.87Å
474	L	98.6	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.8	172.3	-64.5	93.2	0	0	0	109.7	V423 Y428 V467 V469 R491 Y492 P494	V423-L474 HydrophobicContact CB-CD1 4.47Å; V423-L474 HydrophobicContact CG2-CD1 3.57Å; V423-L474 HydrophobicContact CG2-CG 4.04Å; Y428-L474 VanDerWaalsContact CB-CD2 3.41Å; Y428-L474 HydrophobicContact CD1-CD1 4.15Å; Y428-L474 HydrophobicContact CD1-CD2 4.17Å; Y428-L474 HydrophobicContact CD2-CD1 4.28Å; Y428-L474 HydrophobicContact CD2-CD2 4.16Å; Y428-L474 HydrophobicContact CE1-CD1 4.3Å; Y428-L474 HydrophobicContact CE2-CD1 4.45Å; Y428-L474 HydrophobicContact CG-CD1 4.15Å; Y428-L474 HydrophobicContact CG-CD2 3.66Å; V467-L474 HydrophobicContact CG1-CD2 4.16Å; V469-L474 HydrophobicContact CG2-CG 4.2Å; L474-R491 CarbonylContact O-C 3.55Å; L474-R491 WeakPolarHBondContact O-CA 3.46Å; L474-R491 WeakPolarHBondContact O-CB 3.46Å; L474-Y492 HydrophobicContact CD1-CD1 3.73Å; L474-Y492 HydrophobicContact CD1-CE1 4.45Å; L474-Y492 PolarHBondContact N-O 3.11Å; L474-Y492 PolarHBondContact O-N 3.05Å; L474-P494 HydrophobicContact CD1-CG 4.25Å
475	Y	98.8	Very high	98	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.02	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.6	178.3	-66.7	-104.7	0	0	0	109.2	V467 A468 L470 L473 E490 R491 L502 I521 Y539	V467-Y475 VanDerWaalsContact CA-O 3.29Å; V467-Y475 WeakPolarHBondContact CA-O 3.37Å; A468-Y475 PolarHBondContact N-O 2.79Å; A468-Y475 PolarHBondContact O-N 3.39Å; L470-Y475 HydrophobicContact CB-CD2 4.46Å; L470-Y475 HydrophobicContact CB-CE2 3.94Å; L473-Y475 HydrophobicContact CB-CD2 4.43Å; L473-Y475 HydrophobicContact CB-CE2 3.7Å; L473-Y475 WeakPolarHBondContact O-CD2 3.24Å; Y475-E490 CarbonylContact C-O 3.49Å; Y475-E490 WeakPolarHBondContact CA-O 3.33Å; Y475-R491 HydrophobicContact CD1-CB 3.86Å; Y475-R491 HydrophobicContact CE1-CB 3.94Å; Y475-R491 HydrophobicContact CG-CB 4.26Å; Y475-L502 HydrophobicContact CD1-CD1 3.66Å; Y475-L502 HydrophobicContact CE1-CD1 3.56Å; Y475-I521 HydrophobicContact CD1-CD1 3.54Å; Y475-I521 HydrophobicContact CD2-CD1 3.31Å; Y475-I521 HydrophobicContact CE1-CD1 3.93Å; Y475-I521 HydrophobicContact CE2-CD1 3.73Å; Y475-I521 HydrophobicContact CG-CD1 3.21Å; Y475-Y539 HydrophobicContact CD1-CE1 4.34Å; Y475-Y539 HydrophobicContact CE1-CD1 4.39Å; Y475-Y539 AromaticContact CE1-CE1 3.82Å; Y475-Y539 HydrophobicContact CE1-CE1 3.82Å
476	A	98.8	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.4	175	0	0	0	0	0	109.6	V430 M458 L465 V489 E490 W499	V430-A476 HydrophobicContact CG1-CB 4.42Å; M458-A476 HydrophobicContact SD-CB 3.74Å; L465-A476 HydrophobicContact CD1-CB 3.87Å; A476-V489 WeakPolarHBondContact O-CA 3.48Å; A476-E490 PolarHBondContact N-O 2.79Å; A476-E490 PolarHBondContact O-N 3.1Å; A476-W499 HydrophobicContact CB-CE3 4.49Å; A476-W499 HydrophobicContact CB-CH2 4.06Å; A476-W499 HydrophobicContact CB-CZ3 3.6Å
477	V	98.8	Very high	98.1	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.036	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120	-167.7	177.4	0	0	0	0	110.5	G466 V489 L505 V514 A523 W546	G466-V477 PolarHBondContact N-O 3.17Å; G466-V477 VanDerWaalsContact N-O 3.09Å; G466-V477 PolarHBondContact O-N 2.86Å; V477-V489 HydrophobicContact CG1-CG2 4.25Å; V477-V489 HydrophobicContact CG2-CG1 3.94Å; V477-V489 HydrophobicContact CG2-CG2 4.4Å; V477-L505 HydrophobicContact CG1-CD1 3.71Å; V477-L505 HydrophobicContact CG1-CD2 3.93Å; V477-L505 HydrophobicContact CG1-CG 4.1Å; V477-V514 HydrophobicContact CB-CG1 4.15Å; V477-V514 HydrophobicContact CB-CG2 4.08Å; V477-V514 HydrophobicContact CG1-CG2 4.13Å; V477-V514 HydrophobicContact CG2-CG1 3.99Å; V477-A523 HydrophobicContact CG1-CB 4.17Å; V477-W546 HydrophobicContact CG1-CH2 4.01Å; V477-W546 HydrophobicContact CG1-CZ2 4.21Å; V477-W546 HydrophobicContact CG2-CH2 4.22Å; V477-W546 HydrophobicContact CG2-CZ2 4.28Å
478	G	98.7	Very high	98.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.171	C	C	.	.			trans	63.9	-143.4	175	0	0	0	0	0	114	R462 L486 T488	R462-G478 PolarHBondContact NH1-O 2.88Å; G478-L486 WeakPolarHBondContact CA-O 3.34Å; G478-T488 PolarHBondContact N-O 3.12Å
479	G	98.6	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.			trans	101.2	-157.8	-175.7	0	0	0	0	0	113.1	I463 R485 L486 R509	I463-G479 CarbonylContact O-C 3.24Å; I463-G479 WeakPolarHBondContact O-CA 3.32Å; G479-R485 WeakPolarHBondContact O-CA 3.19Å; G479-L486 PolarHBondContact O-N 2.84Å; G479-R509 PolarHBondContact N-O 2.86Å
480	F	98.5	Very high	98.1	Very high	33 Å²	33	31.3 Å²	31.3	15%	0.145	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-137.9	137.8	179.2	175.5	-114.8	0	0	0	110.8	H438 R462 I463 G482 E483 K484 R485	H438-F480 AromaticContact NE2-CD1 3.71Å; H438-F480 AromaticContact NE2-CE1 3.69Å; R462-F480 CarbonylContact C-O 3.6Å; R462-F480 WeakPolarHBondContact CA-O 3.49Å; I463-F480 HydrophobicContact CG2-CB 3.72Å; I463-F480 HydrophobicContact CG2-CD1 3.71Å; I463-F480 HydrophobicContact CG2-CG 4.2Å; I463-F480 WeakPolarHBondContact CG2-O 3.46Å; I463-F480 PolarHBondContact N-O 2.84Å; I463-F480 PolarHBondContact O-N 2.8Å; F480-G482 VanDerWaalsContact CZ-O 3.29Å; F480-G482 WeakPolarHBondContact CZ-O 3.33Å; F480-E483 VanDerWaalsContact CE2-C 3.4Å; F480-K484 WeakPolarHBondContact CD2-O 3.35Å; F480-R485 HydrophobicContact CD2-CG 4.48Å
481	D	98	Very high	98.2	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.102	16%	0.163	C	C	.	.			trans	-96.6	-2.8	-174.9	60	7.9	0	0	0	114.7	R461 E483 K484 L486	R461-D481 HydrophobicContact CB-CB 4.47Å; R461-D481 PolarHBondContact NE-O 3.02Å; R461-D481 VanDerWaalsContact O-CA 3.27Å; R461-D481 WeakPolarHBondContact O-CA 3.49Å; R461-D481 WeakPolarHBondContact O-CB 3.44Å; D481-E483 WeakPolarHBondContact OD1-CA 3.38Å; D481-E483 PolarHBondContact OD1-N 2.97Å; D481-K484 PolarHBondContact N-O 3.03Å; D481-K484 PolarHBondContact OD1-N 3.02Å; D481-L486 HydrophobicContact CB-CD1 4.25Å; D481-L486 HydrophobicContact CB-CD2 4.31Å
482	G	96.5	Very high	98.3	Very high	31 Å²	31	31.2 Å²	31.2	32%	0.32	15%	0.152	S	C	.	.	S	Bend	trans	108.8	-16.2	-171.3	0	0	0	0	0	113.4	F480	F480-G482 VanDerWaalsContact CZ-O 3.29Å; F480-G482 WeakPolarHBondContact CZ-O 3.33Å
483	E	96.7	Very high	98.4	Very high	162 Å²	162	30.1 Å²	30.1	76%	0.757	15%	0.148	S	C	*	.	S	Bend	trans	-124.9	-46.4	-176.6	-65.4	177.2	-169.2	0	0	112	F480 D481	F480-E483 VanDerWaalsContact CE2-C 3.4Å; D481-E483 WeakPolarHBondContact OD1-CA 3.38Å; D481-E483 PolarHBondContact OD1-N 2.97Å
484	K	97.7	Very high	98.3	Very high	130 Å²	130	30.7 Å²	30.7	57%	0.565	15%	0.152	S	C	*	.	S	Bend	trans	-139.6	153.9	-176.7	64.7	-179.6	178	-175.8	0	112.8	F480 D481 L486	F480-K484 WeakPolarHBondContact CD2-O 3.35Å; D481-K484 PolarHBondContact N-O 3.03Å; D481-K484 PolarHBondContact OD1-N 3.02Å; K484-L486 HydrophobicContact CG-CD2 4.29Å
485	R	98.4	Very high	98.2	Very high	62 Å²	62	34.6 Å²	34.6	23%	0.234	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-72.7	137.5	171	-53.7	-63.6	176.6	-149.4	-5.6	108.3	G479 F480 A508 S510 S529	G479-R485 WeakPolarHBondContact O-CA 3.19Å; F480-R485 HydrophobicContact CD2-CG 4.48Å; R485-A508 HydrophobicContact CB-CB 4.07Å; R485-A508 WeakPolarHBondContact O-CB 3.43Å; R485-S510 VanDerWaalsContact CD-OG 3.27Å; R485-S510 WeakPolarHBondContact CD-OG 3.4Å; R485-S529 WeakPolarHBondContact CG-OG 3.24Å
486	L	98.6	Very high	98.2	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	20%	0.199	C	C	.	.			trans	-98.8	141.2	-171.2	-60.3	175.7	0	0	0	110.9	R462 G478 G479 D481 K484 A508 R509	R462-L486 HydrophobicContact CG-CD1 3.99Å; G478-L486 WeakPolarHBondContact CA-O 3.34Å; G479-L486 PolarHBondContact O-N 2.84Å; D481-L486 HydrophobicContact CB-CD1 4.25Å; D481-L486 HydrophobicContact CB-CD2 4.31Å; K484-L486 HydrophobicContact CG-CD2 4.29Å; L486-A508 WeakPolarHBondContact O-CA 3.48Å; L486-R509 PolarHBondContact O-N 3.47Å
487	N	98.5	Very high	98.1	Very high	64 Å²	64	44.9 Å²	44.9	34%	0.342	22%	0.219	S	C	.	.			trans	-104.4	-4.2	161.6	68	-23.1	0	0	0	112.1	C504 L505 A508	N487-C504 HydrophobicContact CB-CB 4.48Å; N487-C504 CarbonylContact O-C 3.55Å; N487-C504 VanDerWaalsContact O-CA 3.26Å; N487-C504 WeakPolarHBondContact O-CA 3.29Å; N487-C504 WeakPolarHBondContact O-CB 3.22Å; N487-L505 HydrophobicContact CB-CB 4.07Å; N487-L505 PolarHBondContact ND2-O 3.25Å; N487-L505 PolarHBondContact O-N 3.17Å; N487-A508 HydrophobicContact CB-CB 4.21Å
488	T	98.7	Very high	98.1	Very high	35 Å²	35	49.8 Å²	49.8	22%	0.215	24%	0.241	C	C	.	.			trans	-71.3	150.7	-179	60.4	0	0	0	0	111.3	R462 G478	R462-T488 PolarHBondContact NH1-O 2.89Å; R462-T488 PolarHBondContact NH1-OG1 3.14Å; R462-T488 PolarHBondContact NH2-OG1 3.02Å; G478-T488 PolarHBondContact N-O 3.12Å
489	V	98.8	Very high	98.1	Very high	1 Å²	1	50 Å²	50	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.3	-179.4	-179.4	0	0	0	0	108.5	A476 V477 L502 L505 W546	A476-V489 WeakPolarHBondContact O-CA 3.48Å; V477-V489 HydrophobicContact CG1-CG2 4.25Å; V477-V489 HydrophobicContact CG2-CG1 3.94Å; V477-V489 HydrophobicContact CG2-CG2 4.4Å; V489-L502 HydrophobicContact CB-CB 4.41Å; V489-L502 HydrophobicContact CG1-CB 4.35Å; V489-L502 HydrophobicContact CG1-CD1 4.33Å; V489-L502 PolarHBondContact O-N 3.16Å; V489-L505 HydrophobicContact CG2-CG 4.18Å; V489-W546 HydrophobicContact CG1-CZ2 4.46Å; V489-W546 HydrophobicContact CG2-CZ2 3.82Å
490	E	98.7	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.6	174.7	-66.6	171.7	-111.2	0	0	109.1	M458 N459 R462 Y475 A476 W499 E500 E501	M458-E490 WeakPolarHBondContact CA-OE2 3.18Å; N459-E490 WeakPolarHBondContact CB-OE2 3.39Å; N459-E490 PolarHBondContact N-OE2 2.88Å; R462-E490 IonicContact CZ-OE1 2.7Å; R462-E490 IonicContact NE-OE1 3.33Å; R462-E490 PolarHBondContact NE-OE1 3.08Å; R462-E490 VanDerWaalsContact NE-OE1 3.14Å; R462-E490 IonicContact NH2-OE1 2.83Å; R462-E490 PolarHBondContact NH2-OE1 3.09Å; Y475-E490 CarbonylContact C-O 3.49Å; Y475-E490 WeakPolarHBondContact CA-O 3.33Å; A476-E490 PolarHBondContact N-O 2.79Å; A476-E490 PolarHBondContact O-N 3.1Å; E490-W499 HydrophobicContact CB-CE3 3.82Å; E490-W499 HydrophobicContact CB-CZ3 4.44Å; E490-E500 CarbonylContact C-O 3.58Å; E490-E500 VanDerWaalsContact CA-O 3.23Å; E490-E500 WeakPolarHBondContact CA-O 3.39Å; E490-E501 HydrophobicContact CG-CG 4.2Å
491	R	98.6	Very high	98.1	Very high	55 Å²	55	57.4 Å²	57.4	21%	0.208	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.2	167.7	73.4	172.7	174.5	-134.1	-15.4	112.1	L474 Y475 W499 E500 L502	L474-R491 CarbonylContact O-C 3.55Å; L474-R491 WeakPolarHBondContact O-CA 3.46Å; L474-R491 WeakPolarHBondContact O-CB 3.46Å; Y475-R491 HydrophobicContact CD1-CB 3.86Å; Y475-R491 HydrophobicContact CE1-CB 3.94Å; Y475-R491 HydrophobicContact CG-CB 4.26Å; R491-W499 CarbonylContact O-C 3.58Å; R491-W499 VanDerWaalsContact O-CA 3.24Å; R491-W499 WeakPolarHBondContact O-CA 3.39Å; R491-E500 HydrophobicContact CG-CG 3.47Å; R491-E500 VanDerWaalsContact CG-CG 3.47Å; R491-E500 IonicContact CZ-OE1 3.67Å; R491-E500 IonicContact CZ-OE2 3.49Å; R491-E500 PolarHBondContact N-O 3.31Å; R491-E500 IonicContact NE-OE1 2.78Å; R491-E500 PolarHBondContact NE-OE1 2.89Å; R491-E500 IonicContact NE-OE2 3.2Å; R491-E500 IonicContact NH2-OE1 2.68Å; R491-E500 PolarHBondContact NH2-OE1 3.06Å; R491-E500 IonicContact NH2-OE2 3.25Å; R491-E500 PolarHBondContact NH2-OE2 2.63Å; R491-E500 PolarHBondContact O-N 2.95Å; R491-L502 HydrophobicContact CB-CD1 3.78Å; R491-L502 HydrophobicContact CB-CG 4.47Å; R491-L502 HydrophobicContact CG-CD1 3.86Å; R491-L502 HydrophobicContact CG-CD2 4.25Å; R491-L502 HydrophobicContact CG-CG 4.18Å
492	Y	98.8	Very high	98.1	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.1	176	177.6	-99.7	0	0	0	111.2	Y428 I455 A456 L473 L474 P494 D497 H498 W499	Y428-Y492 HydrophobicContact CD1-CE1 4.33Å; Y428-Y492 HydrophobicContact CE1-CD1 4.35Å; Y428-Y492 AromaticContact CE1-CE1 3.66Å; Y428-Y492 HydrophobicContact CE1-CE1 3.66Å; I455-Y492 HydrophobicContact CB-CE2 4.41Å; I455-Y492 HydrophobicContact CD1-CD2 4.32Å; I455-Y492 HydrophobicContact CD1-CE1 4.05Å; I455-Y492 HydrophobicContact CD1-CE2 3.83Å; A456-Y492 HydrophobicContact CB-CE2 4.25Å; L473-Y492 WeakPolarHBondContact CD2-O 3.38Å; L474-Y492 HydrophobicContact CD1-CD1 3.73Å; L474-Y492 HydrophobicContact CD1-CE1 4.45Å; L474-Y492 PolarHBondContact N-O 3.11Å; L474-Y492 PolarHBondContact O-N 3.05Å; Y492-P494 HydrophobicContact CD1-CG 4.01Å; Y492-P494 HydrophobicContact CE1-CB 4.08Å; Y492-P494 HydrophobicContact CE1-CG 3.9Å; Y492-D497 WeakPolarHBondContact CE2-OD1 3.48Å; Y492-D497 VanDerWaalsContact CZ-OD1 3.29Å; Y492-D497 PolarHBondContact OH-OD1 3.44Å; Y492-H498 WeakPolarHBondContact CA-O 3.49Å; Y492-W499 AromaticContact CD2-CD1 3.76Å; Y492-W499 HydrophobicContact CD2-CD2 4.01Å; Y492-W499 AromaticContact CD2-CE2 3.61Å; Y492-W499 HydrophobicContact CD2-CG 4.09Å; Y492-W499 HydrophobicContact CD2-CZ2 4.11Å; Y492-W499 AromaticContact CD2-NE1 3.44Å; Y492-W499 HydrophobicContact CG-CD2 4.28Å; Y492-W499 AromaticContact CG-CE2 3.94Å; Y492-W499 HydrophobicContact CG-CH2 4.45Å; Y492-W499 HydrophobicContact CG-CZ2 4.04Å
493	D	98.4	Very high	98.2	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	109.3	172.7	-172	-17.1	0	0	0	110.7	H314 L473 E495 K496 D497 H498	H314-D493 IonicContact CD2-OD2 3.29Å; H314-D493 IonicContact CE1-OD1 3.05Å; H314-D493 PolarHBondContact CE1-OD1 2.95Å; H314-D493 VanDerWaalsContact NE2-CG 3.27Å; H314-D493 IonicContact NE2-OD1 2.73Å; H314-D493 PolarHBondContact NE2-OD1 3.46Å; H314-D493 IonicContact NE2-OD2 2.94Å; H314-D493 PolarHBondContact NE2-OD2 3.19Å; L473-D493 HydrophobicContact CD2-CB 3.87Å; D493-E495 PolarHBondContact O-N 2.82Å; D493-E495 WeakPolarHBondContact OD1-CB 3.46Å; D493-E495 PolarHBondContact OD1-N 3.05Å; D493-K496 HydrophobicContact CB-CB 4.22Å; D493-K496 HydrophobicContact CB-CG 4.44Å; D493-K496 PolarHBondContact O-N 2.89Å; D493-K496 VanDerWaalsContact O-N 3.15Å; D493-K496 WeakPolarHBondContact OD2-CD 3.19Å; D493-K496 WeakPolarHBondContact OD2-CE 3.49Å; D493-K496 IonicContact OD2-NZ 2.8Å; D493-K496 PolarHBondContact OD2-NZ 2.87Å; D493-D497 PolarHBondContact O-N 3.04Å; D493-H498 PolarHBondContact N-O 3.35Å
494	P	97.7	Very high	98.3	Very high	26 Å²	26	52.2 Å²	52.2	17%	0.169	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.8	177.8	-23.6	34.2	0	0	0	114.8	V423 R472 L474 Y492	V423-P494 HydrophobicContact CG1-CG 4.13Å; R472-P494 WeakPolarHBondContact O-CD 3.13Å; R472-P494 WeakPolarHBondContact O-CG 3.28Å; L474-P494 HydrophobicContact CD1-CG 4.25Å; Y492-P494 HydrophobicContact CD1-CG 4.01Å; Y492-P494 HydrophobicContact CE1-CB 4.08Å; Y492-P494 HydrophobicContact CE1-CG 3.9Å
495	E	96.4	Very high	98.4	Very high	81 Å²	81	46.2 Å²	46.2	38%	0.379	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-26	178.4	-56.6	-57.7	151.2	0	0	112.2	I312 R472 D493	I312-E495 HydrophobicContact CG2-CG 4.23Å; R472-E495 IonicContact CZ-OE1 3.36Å; R472-E495 VanDerWaalsContact CZ-OE1 3.23Å; R472-E495 IonicContact NH1-OE1 3.62Å; R472-E495 PolarHBondContact NH1-OE1 3.06Å; R472-E495 IonicContact NH2-OE1 2.73Å; R472-E495 PolarHBondContact NH2-OE1 3.39Å; D493-E495 PolarHBondContact O-N 2.82Å; D493-E495 WeakPolarHBondContact OD1-CB 3.46Å; D493-E495 PolarHBondContact OD1-N 3.05Å
496	K	97.6	Very high	98.4	Very high	144 Å²	144	47.5 Å²	47.5	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-10.1	-176.3	-59.6	-178.4	-169.8	118.8	0	113.4	D493 H498	D493-K496 HydrophobicContact CB-CB 4.22Å; D493-K496 HydrophobicContact CB-CG 4.44Å; D493-K496 PolarHBondContact O-N 2.89Å; D493-K496 VanDerWaalsContact O-N 3.15Å; D493-K496 WeakPolarHBondContact OD2-CD 3.19Å; D493-K496 WeakPolarHBondContact OD2-CE 3.49Å; D493-K496 IonicContact OD2-NZ 2.8Å; D493-K496 PolarHBondContact OD2-NZ 2.87Å; K496-H498 VanDerWaalsContact C-N 3.32Å; K496-H498 HydrophobicContact CB-CB 4.13Å; K496-H498 PolarHBondContact O-N 3.49Å
497	D	98.2	Very high	98.3	Very high	77 Å²	77	51.6 Å²	51.6	41%	0.412	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	55.1	-169.5	-170	33.5	0	0	0	111.7	I455 A456 Y492 D493	I455-D497 WeakPolarHBondContact CB-OD1 3.5Å; A456-D497 WeakPolarHBondContact CB-O 3.32Å; A456-D497 PolarHBondContact N-OD1 3.33Å; Y492-D497 WeakPolarHBondContact CE2-OD1 3.48Å; Y492-D497 VanDerWaalsContact CZ-OD1 3.29Å; Y492-D497 PolarHBondContact OH-OD1 3.44Å; D493-D497 PolarHBondContact O-N 3.04Å
498	H	98.5	Very high	98.3	Very high	109 Å²	109	49.6 Å²	49.6	51%	0.505	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140	-171.9	-176.3	65.9	0	0	0	112.3	Y492 D493 K496	Y492-H498 WeakPolarHBondContact CA-O 3.49Å; D493-H498 PolarHBondContact N-O 3.35Å; K496-H498 VanDerWaalsContact C-N 3.32Å; K496-H498 HydrophobicContact CB-CB 4.13Å; K496-H498 PolarHBondContact O-N 3.49Å
499	W	98.8	Very high	98.3	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.019	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134	171.3	-67.9	91.1	0	0	0	110.8	V430 A456 S457 M458 A476 E490 R491 Y492	V430-W499 HydrophobicContact CG1-CH2 3.94Å; V430-W499 HydrophobicContact CG1-CZ2 4.19Å; V430-W499 HydrophobicContact CG2-CH2 4.26Å; V430-W499 HydrophobicContact CG2-CZ2 4.41Å; A456-W499 PolarHBondContact O-NE1 2.8Å; S457-W499 VanDerWaalsContact C-CD1 3.41Å; S457-W499 VanDerWaalsContact O-CD1 3.23Å; M458-W499 HydrophobicContact CG-CD2 3.71Å; M458-W499 HydrophobicContact CG-CE3 3.97Å; M458-W499 HydrophobicContact CG-CG 4.28Å; M458-W499 HydrophobicContact CG-CH2 4.12Å; M458-W499 HydrophobicContact CG-CZ2 3.86Å; M458-W499 HydrophobicContact CG-CZ3 4.17Å; M458-W499 HydrophobicContact SD-CH2 4.36Å; M458-W499 HydrophobicContact SD-CZ3 4.49Å; A476-W499 HydrophobicContact CB-CE3 4.49Å; A476-W499 HydrophobicContact CB-CH2 4.06Å; A476-W499 HydrophobicContact CB-CZ3 3.6Å; E490-W499 HydrophobicContact CB-CE3 3.82Å; E490-W499 HydrophobicContact CB-CZ3 4.44Å; R491-W499 CarbonylContact O-C 3.58Å; R491-W499 VanDerWaalsContact O-CA 3.24Å; R491-W499 WeakPolarHBondContact O-CA 3.39Å; Y492-W499 AromaticContact CD2-CD1 3.76Å; Y492-W499 HydrophobicContact CD2-CD2 4.01Å; Y492-W499 AromaticContact CD2-CE2 3.61Å; Y492-W499 HydrophobicContact CD2-CG 4.09Å; Y492-W499 HydrophobicContact CD2-CZ2 4.11Å; Y492-W499 AromaticContact CD2-NE1 3.44Å; Y492-W499 HydrophobicContact CG-CD2 4.28Å; Y492-W499 AromaticContact CG-CE2 3.94Å; Y492-W499 HydrophobicContact CG-CH2 4.45Å; Y492-W499 HydrophobicContact CG-CZ2 4.04Å
500	E	98.2	Very high	98.3	Very high	65 Å²	65	48.5 Å²	48.5	30%	0.304	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.4	173.9	68.4	-176.2	128.1	0	0	111.8	E490 R491	E490-E500 CarbonylContact C-O 3.58Å; E490-E500 VanDerWaalsContact CA-O 3.23Å; E490-E500 WeakPolarHBondContact CA-O 3.39Å; R491-E500 HydrophobicContact CG-CG 3.47Å; R491-E500 VanDerWaalsContact CG-CG 3.47Å; R491-E500 IonicContact CZ-OE1 3.67Å; R491-E500 IonicContact CZ-OE2 3.49Å; R491-E500 PolarHBondContact N-O 3.31Å; R491-E500 IonicContact NE-OE1 2.78Å; R491-E500 PolarHBondContact NE-OE1 2.89Å; R491-E500 IonicContact NE-OE2 3.2Å; R491-E500 IonicContact NH2-OE1 2.68Å; R491-E500 PolarHBondContact NH2-OE1 3.06Å; R491-E500 IonicContact NH2-OE2 3.25Å; R491-E500 PolarHBondContact NH2-OE2 2.63Å; R491-E500 PolarHBondContact O-N 2.95Å
501	E	98.4	Very high	98.3	Very high	125 Å²	125	49.4 Å²	49.4	58%	0.584	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.6	179.2	-64.4	-172.8	156.7	0	0	112	E490	E490-E501 HydrophobicContact CG-CG 4.2Å
502	L	98.5	Very high	98.3	Very high	19 Å²	19	47.4 Å²	47.4	10%	0.099	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-177.7	-179.5	-61.1	179.7	0	0	0	111.6	Y475 V489 R491 C504 Y539	Y475-L502 HydrophobicContact CD1-CD1 3.66Å; Y475-L502 HydrophobicContact CE1-CD1 3.56Å; V489-L502 HydrophobicContact CB-CB 4.41Å; V489-L502 HydrophobicContact CG1-CB 4.35Å; V489-L502 HydrophobicContact CG1-CD1 4.33Å; V489-L502 PolarHBondContact O-N 3.16Å; R491-L502 HydrophobicContact CB-CD1 3.78Å; R491-L502 HydrophobicContact CB-CG 4.47Å; R491-L502 HydrophobicContact CG-CD1 3.86Å; R491-L502 HydrophobicContact CG-CD2 4.25Å; R491-L502 HydrophobicContact CG-CG 4.18Å; L502-C504 PolarHBondContact O-N 2.99Å; L502-Y539 HydrophobicContact CD1-CE1 4.35Å
503	A	98.5	Very high	98.2	Very high	26 Å²	26	47.5 Å²	47.5	22%	0.215	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-57.1	135.8	172.3	0	0	0	0	0	111.6	Y539 N544 W546	A503-Y539 HydrophobicContact CB-CE2 4.38Å; A503-N544 WeakPolarHBondContact CB-O 3.48Å; A503-N544 VanDerWaalsContact CB-OD1 3.26Å; A503-N544 WeakPolarHBondContact CB-OD1 3.49Å; A503-N544 PolarHBondContact N-OD1 3.26Å; A503-W546 PolarHBondContact O-NE1 2.89Å
504	C	98.7	Very high	98.3	Very high	58 Å²	58	48 Å²	48	39%	0.392	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-74.6	151.6	179.6	-64.1	0	0	0	0	111.5	N487 L502 W546	N487-C504 HydrophobicContact CB-CB 4.48Å; N487-C504 CarbonylContact O-C 3.55Å; N487-C504 VanDerWaalsContact O-CA 3.26Å; N487-C504 WeakPolarHBondContact O-CA 3.29Å; N487-C504 WeakPolarHBondContact O-CB 3.22Å; L502-C504 PolarHBondContact O-N 2.99Å; C504-W546 VanDerWaalsContact C-CD1 3.49Å
505	L	98.7	Very high	98.3	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-56.2	150	165.1	-64.7	162.5	0	0	0	110.5	V477 N487 V489 R507 R509 A523 E537 W546	V477-L505 HydrophobicContact CG1-CD1 3.71Å; V477-L505 HydrophobicContact CG1-CD2 3.93Å; V477-L505 HydrophobicContact CG1-CG 4.1Å; N487-L505 HydrophobicContact CB-CB 4.07Å; N487-L505 PolarHBondContact ND2-O 3.25Å; N487-L505 PolarHBondContact O-N 3.17Å; V489-L505 HydrophobicContact CG2-CG 4.18Å; L505-R507 VanDerWaalsContact C-N 3.25Å; L505-R507 WeakPolarHBondContact CB-O 3.33Å; L505-R507 PolarHBondContact O-N 3.49Å; L505-R509 HydrophobicContact CD1-CB 4.35Å; L505-R509 HydrophobicContact CD1-CG 4.3Å; L505-A523 HydrophobicContact CD2-CB 3.71Å; L505-E537 HydrophobicContact CD2-CG 3.88Å; L505-W546 HydrophobicContact CD2-CD2 3.67Å; L505-W546 HydrophobicContact CD2-CE3 3.64Å; L505-W546 HydrophobicContact CD2-CG 4.44Å; L505-W546 HydrophobicContact CD2-CH2 3.64Å; L505-W546 HydrophobicContact CD2-CZ2 3.67Å; L505-W546 HydrophobicContact CD2-CZ3 3.62Å; L505-W546 HydrophobicContact CG-CZ2 4.35Å
506	N	98.4	Very high	98.4	Very high	89 Å²	89	44.9 Å²	44.9	48%	0.476	24%	0.24	S	C	.	.	S	Bend	trans	-68.8	-26.9	175.7	-65.4	-77.9	0	0	0	112	E537 W546 Y548	N506-E537 VanDerWaalsContact CB-OE2 3.28Å; N506-E537 WeakPolarHBondContact CB-OE2 3.21Å; N506-E537 PolarHBondContact N-OE2 2.8Å; N506-E537 PolarHBondContact ND2-OE2 3.35Å; N506-W546 WeakPolarHBondContact ND2-CB 3.37Å; N506-W546 PolarHBondContact ND2-O 3.21Å; N506-W546 VanDerWaalsContact ND2-O 3.12Å; N506-Y548 HydrophobicContact CB-CE2 3.96Å; N506-Y548 VanDerWaalsContact CB-OH 3.24Å; N506-Y548 WeakPolarHBondContact CB-OH 2.99Å
507	R	97.3	Very high	98.3	Very high	91 Å²	91	39 Å²	39	34%	0.343	22%	0.215	S	C	.	.	S	Bend	trans	-130.9	147.1	170.3	-73.8	-175.7	79.6	170.7	7	111.1	L505 D528	L505-R507 VanDerWaalsContact C-N 3.25Å; L505-R507 WeakPolarHBondContact CB-O 3.33Å; L505-R507 PolarHBondContact O-N 3.49Å; R507-D528 IonicContact CZ-OD2 2.59Å; R507-D528 IonicContact NE-OD2 3.29Å; R507-D528 PolarHBondContact NE-OD2 2.92Å; R507-D528 IonicContact NH2-OD2 3.14Å; R507-D528 PolarHBondContact NH2-OD2 3.29Å
508	A	98.5	Very high	98.2	Very high	23 Å²	23	38 Å²	38	19%	0.19	22%	0.223	C	C	.	.			trans	-65.7	142.3	172	0	0	0	0	0	110.9	R485 L486 N487 D528	R485-A508 HydrophobicContact CB-CB 4.07Å; R485-A508 WeakPolarHBondContact O-CB 3.43Å; L486-A508 WeakPolarHBondContact O-CA 3.48Å; N487-A508 HydrophobicContact CB-CB 4.21Å; A508-D528 WeakPolarHBondContact O-CB 3.28Å
509	R	98.6	Very high	98	Very high	3 Å²	3	36 Å²	36	1%	0.011	21%	0.214	C	C	.	.			trans	-143.5	128.5	-176.9	-59.4	177.9	-174.9	-94.3	-0.4	110.7	G479 L486 L505 A512 G525 L533 T535 E537	G479-R509 PolarHBondContact N-O 2.86Å; L486-R509 PolarHBondContact O-N 3.47Å; L505-R509 HydrophobicContact CD1-CB 4.35Å; L505-R509 HydrophobicContact CD1-CG 4.3Å; R509-A512 HydrophobicContact CB-CB 4.03Å; R509-G525 WeakPolarHBondContact CD-O 3.39Å; R509-G525 PolarHBondContact NH1-O 3.11Å; R509-L533 HydrophobicContact CG-CD1 3.98Å; R509-T535 PolarHBondContact NH1-O 2.84Å; R509-T535 PolarHBondContact NH1-OG1 2.99Å; R509-T535 PolarHBondContact NH2-OG1 3.3Å; R509-E537 IonicContact CZ-OE1 2.93Å; R509-E537 VanDerWaalsContact CZ-OE1 3.28Å; R509-E537 IonicContact NE-OE1 3.7Å; R509-E537 PolarHBondContact NE-OE1 3.41Å; R509-E537 IonicContact NH2-OE1 2.64Å; R509-E537 PolarHBondContact NH2-OE1 3.45Å
510	S	98.4	Very high	98	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.07	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-122.2	150.3	158.9	76.9	0	0	0	0	111.4	R485 A512 G526 Y527	R485-S510 VanDerWaalsContact CD-OG 3.27Å; R485-S510 WeakPolarHBondContact CD-OG 3.4Å; S510-A512 PolarHBondContact O-N 2.9Å; S510-G526 CarbonylContact O-C 3.49Å; S510-G526 WeakPolarHBondContact O-CA 3.42Å; S510-Y527 PolarHBondContact N-O 3.48Å; S510-Y527 PolarHBondContact O-N 3.19Å
511	G	98.2	Very high	98	Very high	18 Å²	18	35.8 Å²	35.8	19%	0.186	21%	0.211	C	C	.	.	S	Bend	trans	63	30	-173.4	0	0	0	0	0	112.9	G464 S557 A558 L559	G464-G511 PolarHBondContact O-N 2.96Å; G511-S557 CarbonylContact O-C 3.58Å; G511-A558 WeakPolarHBondContact O-CA 3.33Å; G511-A558 PolarHBondContact O-N 3.31Å; G511-L559 WeakPolarHBondContact O-CD2 3.22Å
512	A	98.6	Very high	98	Very high	14 Å²	14	30.1 Å²	30.1	12%	0.116	18%	0.184	C	C	.	.			trans	-82.7	151	174.2	0	0	0	0	0	110.9	R509 S510 I524	R509-A512 HydrophobicContact CB-CB 4.03Å; S510-A512 PolarHBondContact O-N 2.9Å; A512-I524 WeakPolarHBondContact CA-O 3.38Å; A512-I524 WeakPolarHBondContact CB-O 3.49Å
513	G	98.5	Very high	98.1	Very high	5 Å²	5	29.2 Å²	29.2	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.3	163.7	0	0	0	0	0	109.4	I524	G513-I524 PolarHBondContact N-O 2.94Å; G513-I524 PolarHBondContact O-N 2.81Å
514	V	98.8	Very high	98.1	Very high	17 Å²	17	28 Å²	28	10%	0.103	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.4	178.1	-179.7	0	0	0	0	109.6	A468 V477 I521 Y522 A523	A468-V514 HydrophobicContact CB-CG1 3.83Å; V477-V514 HydrophobicContact CB-CG1 4.15Å; V477-V514 HydrophobicContact CB-CG2 4.08Å; V477-V514 HydrophobicContact CG1-CG2 4.13Å; V477-V514 HydrophobicContact CG2-CG1 3.99Å; V514-I521 HydrophobicContact CG1-CG2 3.81Å; V514-Y522 VanDerWaalsContact CA-O 3.24Å; V514-Y522 WeakPolarHBondContact CA-O 3.49Å; V514-A523 HydrophobicContact CG2-CB 4.35Å
515	V	98.7	Very high	98.1	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.085	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.9	-175.8	-63.4	0	0	0	0	111.4	I521 Y522 I524 A561 V563 I568	V515-I521 CarbonylContact O-C 3.52Å; V515-I521 WeakPolarHBondContact O-CA 3.45Å; V515-Y522 PolarHBondContact N-O 3.39Å; V515-Y522 VanDerWaalsContact N-O 3.12Å; V515-Y522 PolarHBondContact O-N 3.13Å; V515-I524 HydrophobicContact CG2-CD1 4.13Å; V515-A561 HydrophobicContact CG1-CB 3.85Å; V515-V563 HydrophobicContact CB-CG2 3.84Å; V515-V563 HydrophobicContact CG1-CG2 4.36Å; V515-V563 HydrophobicContact CG2-CG2 3.91Å; V515-I568 HydrophobicContact CG2-CD1 3.91Å; V515-I568 HydrophobicContact CG2-CG1 4.07Å; V515-I568 HydrophobicContact CG2-CG2 3.77Å
516	A	97.9	Very high	98.1	Very high	27 Å²	27	25 Å²	25	22%	0.223	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.7	169.8	0	0	0	0	0	110.2	A468 V469 L470 Y520 I521	A468-A516 HydrophobicContact CB-CB 4.23Å; V469-A516 VanDerWaalsContact O-CB 3.24Å; V469-A516 WeakPolarHBondContact O-CB 3.29Å; L470-A516 HydrophobicContact CB-CB 4.3Å; A516-Y520 WeakPolarHBondContact CA-O 3.43Å; A516-I521 HydrophobicContact CB-CG1 4.36Å
517	L	96.7	Very high	98.1	Very high	21 Å²	21	23.9 Å²	23.9	11%	0.11	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	122.4	175.1	174.6	58	0	0	0	109.7	E519 Y520 Y522 V563 I568 P588	L517-E519 PolarHBondContact O-N 3.43Å; L517-Y520 PolarHBondContact N-O 3.12Å; L517-Y520 PolarHBondContact O-N 3.03Å; L517-Y522 HydrophobicContact CB-CD2 4.33Å; L517-Y522 HydrophobicContact CB-CE2 3.98Å; L517-V563 HydrophobicContact CB-CG2 4.23Å; L517-V563 HydrophobicContact CD1-CG1 3.83Å; L517-I568 HydrophobicContact CB-CG1 4.5Å; L517-I568 HydrophobicContact CD2-CD1 4.16Å; L517-I568 HydrophobicContact CD2-CG1 3.62Å; L517-P588 HydrophobicContact CD2-CG 3.46Å; L517-P588 VanDerWaalsContact CD2-CG 3.46Å
518	G	94.4	Very high	98.1	Very high	56 Å²	56	20.7 Å²	20.7	58%	0.577	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	-127.9	-170	0	0	0	0	0	110.8	L470	L470-G518 WeakPolarHBondContact CD1-O 3.38Å
519	E	95.6	Very high	98	Very high	67 Å²	67	22.6 Å²	22.6	31%	0.313	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.4	180	-64.1	-171.6	-149.7	0	0	113.8	H316 L470 L517 P541 K542	H316-E519 IonicContact CE1-OE1 3.49Å; H316-E519 IonicContact ND1-OE1 3.94Å; H316-E519 WeakPolarHBondContact NE2-CG 3.22Å; L470-E519 WeakPolarHBondContact CD2-O 3.32Å; L517-E519 PolarHBondContact O-N 3.43Å; E519-P541 WeakPolarHBondContact O-CD 3.29Å; E519-K542 IonicContact OE1-NZ 2.59Å; E519-K542 VanDerWaalsContact OE2-CE 3.27Å; E519-K542 WeakPolarHBondContact OE2-CE 3.17Å; E519-K542 IonicContact OE2-NZ 3.87Å; E519-K542 PolarHBondContact OE2-NZ 3.45Å
520	Y	98.3	Very high	97.9	Very high	64 Å²	64	27.7 Å²	27.7	25%	0.251	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.3	-170.6	-59.1	-81.1	0	0	0	112.2	A516 L517 R538 Y539 D540	A516-Y520 WeakPolarHBondContact CA-O 3.43Å; L517-Y520 PolarHBondContact N-O 3.12Å; L517-Y520 PolarHBondContact O-N 3.03Å; Y520-R538 HydrophobicContact CD1-CG 4.34Å; Y520-Y539 WeakPolarHBondContact CA-O 3.35Å; Y520-Y539 WeakPolarHBondContact CD1-O 3.33Å; Y520-D540 HydrophobicContact CD1-CB 4.12Å; Y520-D540 HydrophobicContact CE1-CB 3.81Å
521	I	98.7	Very high	97.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.5	169.2	-63.4	168.4	0	0	0	108.2	A468 L470 Y475 V514 V515 A516 R538 Y539 W546	A468-I521 HydrophobicContact CB-CB 4.49Å; A468-I521 HydrophobicContact CB-CD1 4.31Å; A468-I521 HydrophobicContact CB-CG1 4.12Å; A468-I521 HydrophobicContact CB-CG2 3.67Å; L470-I521 HydrophobicContact CB-CD1 4.24Å; L470-I521 HydrophobicContact CB-CG1 4.3Å; L470-I521 HydrophobicContact CD2-CD1 4.33Å; L470-I521 HydrophobicContact CD2-CG1 4.07Å; Y475-I521 HydrophobicContact CD1-CD1 3.54Å; Y475-I521 HydrophobicContact CD2-CD1 3.31Å; Y475-I521 HydrophobicContact CE1-CD1 3.93Å; Y475-I521 HydrophobicContact CE2-CD1 3.73Å; Y475-I521 HydrophobicContact CG-CD1 3.21Å; V514-I521 HydrophobicContact CG1-CG2 3.81Å; V515-I521 CarbonylContact O-C 3.52Å; V515-I521 WeakPolarHBondContact O-CA 3.45Å; A516-I521 HydrophobicContact CB-CG1 4.36Å; I521-R538 CarbonylContact O-C 3.42Å; I521-R538 WeakPolarHBondContact O-CA 3.29Å; I521-Y539 HydrophobicContact CD1-CD1 4.29Å; I521-Y539 PolarHBondContact N-O 2.81Å; I521-Y539 PolarHBondContact O-N 2.78Å; I521-W546 HydrophobicContact CG2-CH2 4.28Å
522	Y	98.8	Very high	97.8	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.02	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.8	-178.2	-64.5	-100	0	0	0	109.8	V514 V515 L517 M536 E537 R538 I568 Y586	V514-Y522 VanDerWaalsContact CA-O 3.24Å; V514-Y522 WeakPolarHBondContact CA-O 3.49Å; V515-Y522 PolarHBondContact N-O 3.39Å; V515-Y522 VanDerWaalsContact N-O 3.12Å; V515-Y522 PolarHBondContact O-N 3.13Å; L517-Y522 HydrophobicContact CB-CD2 4.33Å; L517-Y522 HydrophobicContact CB-CE2 3.98Å; Y522-M536 HydrophobicContact CD1-CE 4.14Å; Y522-M536 HydrophobicContact CD1-CG 4.25Å; Y522-M536 HydrophobicContact CD1-SD 3.67Å; Y522-M536 HydrophobicContact CG-SD 4.32Å; Y522-E537 CarbonylContact C-O 3.44Å; Y522-E537 WeakPolarHBondContact CA-O 3.38Å; Y522-R538 HydrophobicContact CD1-CB 3.61Å; Y522-R538 HydrophobicContact CE1-CB 3.59Å; Y522-R538 HydrophobicContact CE1-CG 4.32Å; Y522-R538 HydrophobicContact CG-CB 4.15Å; Y522-I568 HydrophobicContact CD1-CD1 3.82Å; Y522-I568 HydrophobicContact CD2-CD1 3.58Å; Y522-I568 HydrophobicContact CE1-CD1 4.25Å; Y522-I568 HydrophobicContact CE2-CD1 4.05Å; Y522-I568 HydrophobicContact CG-CD1 3.46Å; Y522-I568 VanDerWaalsContact CG-CD1 3.46Å; Y522-Y586 HydrophobicContact CE1-CE1 4.05Å
523	A	98.8	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121	171.8	0	0	0	0	0	109.3	V477 L505 V514 M536 E537 W546	V477-A523 HydrophobicContact CG1-CB 4.17Å; L505-A523 HydrophobicContact CD2-CB 3.71Å; V514-A523 HydrophobicContact CG2-CB 4.35Å; A523-M536 WeakPolarHBondContact O-CA 3.29Å; A523-E537 HydrophobicContact CB-CG 4.27Å; A523-E537 PolarHBondContact N-O 2.89Å; A523-E537 PolarHBondContact O-N 2.93Å; A523-W546 HydrophobicContact CB-CH2 4.09Å; A523-W546 HydrophobicContact CB-CZ3 3.76Å
524	I	98.8	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.9	-160.7	-52.6	156.4	0	0	0	109.7	A512 G513 V515 M536 M552 L559 A561 I568 V570 W593	A512-I524 WeakPolarHBondContact CA-O 3.38Å; A512-I524 WeakPolarHBondContact CB-O 3.49Å; G513-I524 PolarHBondContact N-O 2.94Å; G513-I524 PolarHBondContact O-N 2.81Å; V515-I524 HydrophobicContact CG2-CD1 4.13Å; I524-M536 HydrophobicContact CD1-SD 4.26Å; I524-M536 HydrophobicContact CG1-CB 4.47Å; I524-M536 HydrophobicContact CG1-CG 3.81Å; I524-M536 HydrophobicContact CG1-SD 3.64Å; I524-M552 HydrophobicContact CG2-CE 3.7Å; I524-M552 HydrophobicContact CG2-CG 4.06Å; I524-M552 HydrophobicContact CG2-SD 3.37Å; I524-M552 WeakPolarHBondContact CG2-SD 3.44Å; I524-L559 HydrophobicContact CG2-CD1 4.28Å; I524-A561 HydrophobicContact CD1-CB 4.2Å; I524-I568 HydrophobicContact CD1-CG2 3.58Å; I524-V570 HydrophobicContact CD1-CG1 4.29Å; I524-V570 HydrophobicContact CG2-CG1 3.94Å; I524-W593 HydrophobicContact CG2-CH2 4.03Å; I524-W593 HydrophobicContact CG2-CZ2 4.17Å
525	G	98.7	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.197	C	C	.	.			trans	59.6	-139.9	179.2	0	0	0	0	0	113.2	R509 L533 T535	R509-G525 WeakPolarHBondContact CD-O 3.39Å; R509-G525 PolarHBondContact NH1-O 3.11Å; G525-L533 WeakPolarHBondContact CA-O 3.49Å; G525-T535 PolarHBondContact N-O 3.45Å
526	G	98.6	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.193	C	C	.	.			trans	95.5	-173.6	-175.4	0	0	0	0	0	113	S510 L533 R556	S510-G526 CarbonylContact O-C 3.49Å; S510-G526 WeakPolarHBondContact O-CA 3.42Å; G526-L533 PolarHBondContact O-N 2.67Å; G526-R556 PolarHBondContact N-O 2.95Å
527	Y	98.6	Very high	97.9	Very high	66 Å²	66	30.9 Å²	30.9	26%	0.259	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-122.9	134.3	-178.9	179.3	-116.8	0	0	0	110.5	S510 S529 S531 Q532	S510-Y527 PolarHBondContact N-O 3.48Å; S510-Y527 PolarHBondContact O-N 3.19Å; Y527-S529 VanDerWaalsContact CE1-CA 3.44Å; Y527-S529 VanDerWaalsContact CZ-C 3.44Å; Y527-S529 VanDerWaalsContact CZ-CA 3.43Å; Y527-S529 VanDerWaalsContact OH-C 3.23Å; Y527-S529 PolarHBondContact OH-O 3.01Å; Y527-S531 WeakPolarHBondContact CD2-O 3.41Å; Y527-Q532 VanDerWaalsContact CD2-NE2 3.35Å
528	D	97.7	Very high	98	Very high	23 Å²	23	32.7 Å²	32.7	12%	0.123	19%	0.188	C	C	.	.			trans	-110.2	12.4	-172.9	76.5	-26.3	0	0	0	114.4	R507 A508 C530 S531 L533	R507-D528 IonicContact CZ-OD2 2.59Å; R507-D528 IonicContact NE-OD2 3.29Å; R507-D528 PolarHBondContact NE-OD2 2.92Å; R507-D528 IonicContact NH2-OD2 3.14Å; R507-D528 PolarHBondContact NH2-OD2 3.29Å; A508-D528 WeakPolarHBondContact O-CB 3.28Å; D528-C530 WeakPolarHBondContact OD1-CA 3.48Å; D528-C530 WeakPolarHBondContact OD1-CB 3.39Å; D528-C530 PolarHBondContact OD1-N 3.49Å; D528-S531 PolarHBondContact OD1-N 2.65Å; D528-S531 VanDerWaalsContact OD1-O 3.11Å; D528-L533 HydrophobicContact CB-CD1 4.24Å; D528-L533 HydrophobicContact CB-CD2 4.43Å
529	S	96.3	Very high	98.2	Very high	64 Å²	64	30.1 Å²	30.1	45%	0.448	16%	0.161	S	C	.	.	S	Bend	trans	84.3	-10	-169	-48.8	0	0	0	0	115.9	R485 Y527	R485-S529 WeakPolarHBondContact CG-OG 3.24Å; Y527-S529 VanDerWaalsContact CE1-CA 3.44Å; Y527-S529 VanDerWaalsContact CZ-C 3.44Å; Y527-S529 VanDerWaalsContact CZ-CA 3.43Å; Y527-S529 VanDerWaalsContact OH-C 3.23Å; Y527-S529 PolarHBondContact OH-O 3.01Å
530	C	96.4	Very high	98.3	Very high	109 Å²	109	27.6 Å²	27.6	74%	0.736	15%	0.149	S	C	*	.	S	Bend	trans	-116.7	-42.7	178.3	-64.3	0	0	0	0	112.1	D528	D528-C530 WeakPolarHBondContact OD1-CA 3.48Å; D528-C530 WeakPolarHBondContact OD1-CB 3.39Å; D528-C530 PolarHBondContact OD1-N 3.49Å
531	S	97.1	Very high	98.2	Very high	47 Å²	47	26 Å²	26	33%	0.329	15%	0.147	S	C	.	.			trans	-155.2	156.3	-173.8	57.3	0	0	0	0	112.2	Y527 D528	Y527-S531 WeakPolarHBondContact CD2-O 3.41Å; D528-S531 PolarHBondContact OD1-N 2.65Å; D528-S531 VanDerWaalsContact OD1-O 3.11Å
532	Q	98.4	Very high	98.1	Very high	39 Å²	39	33.4 Å²	33.4	18%	0.182	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-68.1	131.4	165.1	-77.8	63.3	32.8	0	0	109.2	Y527 P555 Y574 D575 G576	Y527-Q532 VanDerWaalsContact CD2-NE2 3.35Å; Q532-P555 HydrophobicContact CB-CB 4.11Å; Q532-P555 VanDerWaalsContact O-CB 3.26Å; Q532-P555 WeakPolarHBondContact O-CB 3.18Å; Q532-Y574 VanDerWaalsContact CG-O 3.26Å; Q532-Y574 WeakPolarHBondContact CG-O 3.35Å; Q532-D575 WeakPolarHBondContact CB-O 3.43Å; Q532-G576 VanDerWaalsContact OE1-CA 3.28Å
533	L	98.6	Very high	98.1	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.207	C	C	.	.			trans	-93.1	141.5	-176.3	-56.5	177.8	0	0	0	110.2	R509 G525 G526 D528 R556	R509-L533 HydrophobicContact CG-CD1 3.98Å; G525-L533 WeakPolarHBondContact CA-O 3.49Å; G526-L533 PolarHBondContact O-N 2.67Å; D528-L533 HydrophobicContact CB-CD1 4.24Å; D528-L533 HydrophobicContact CB-CD2 4.43Å; L533-R556 PolarHBondContact O-N 3.41Å
534	N	98.5	Very high	98	Very high	58 Å²	58	44.4 Å²	44.4	31%	0.31	23%	0.227	S	C	.	.			trans	-100.3	-10.4	161.8	69.1	-23.5	0	0	0	112.6	S551 M552 P555	N534-S551 CarbonylContact O-C 3.4Å; N534-S551 WeakPolarHBondContact O-CA 3.37Å; N534-S551 WeakPolarHBondContact O-CB 3.37Å; N534-M552 HydrophobicContact CB-CB 4.3Å; N534-M552 WeakPolarHBondContact CB-O 3.47Å; N534-M552 PolarHBondContact ND2-O 2.88Å; N534-M552 PolarHBondContact O-N 3.42Å; N534-P555 HydrophobicContact CB-CB 4.16Å
535	T	98.7	Very high	98	Very high	24 Å²	24	46.1 Å²	46.1	15%	0.147	24%	0.238	C	C	.	.			trans	-68.8	148	-176.9	63.6	0	0	0	0	112	R509 G525	R509-T535 PolarHBondContact NH1-O 2.84Å; R509-T535 PolarHBondContact NH1-OG1 2.99Å; R509-T535 PolarHBondContact NH2-OG1 3.3Å; G525-T535 PolarHBondContact N-O 3.45Å
536	M	98.6	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.2	171	175.5	174.5	65.7	0	0	109.5	Y522 A523 I524 C549 Y586 W593	Y522-M536 HydrophobicContact CD1-CE 4.14Å; Y522-M536 HydrophobicContact CD1-CG 4.25Å; Y522-M536 HydrophobicContact CD1-SD 3.67Å; Y522-M536 HydrophobicContact CG-SD 4.32Å; A523-M536 WeakPolarHBondContact O-CA 3.29Å; I524-M536 HydrophobicContact CD1-SD 4.26Å; I524-M536 HydrophobicContact CG1-CB 4.47Å; I524-M536 HydrophobicContact CG1-CG 3.81Å; I524-M536 HydrophobicContact CG1-SD 3.64Å; M536-C549 HydrophobicContact CE-CB 3.51Å; M536-C549 PolarHBondContact O-N 3.25Å; M536-Y586 HydrophobicContact CE-CD1 3.71Å; M536-Y586 HydrophobicContact CE-CD2 3.64Å; M536-Y586 HydrophobicContact CE-CE1 3.53Å; M536-Y586 HydrophobicContact CE-CE2 3.48Å; M536-Y586 VanDerWaalsContact CE-CE2 3.48Å; M536-Y586 HydrophobicContact CE-CG 3.74Å; M536-Y586 VanDerWaalsContact CE-CZ 3.42Å; M536-Y586 HydrophobicContact SD-CD1 4.48Å; M536-W593 HydrophobicContact CE-CZ2 3.85Å; M536-W593 HydrophobicContact SD-CH2 4.46Å; M536-W593 HydrophobicContact SD-CZ2 3.73Å
537	E	98.7	Very high	98	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.6	171.4	58.6	-166.6	133.6	0	0	110.1	L505 N506 R509 Y522 A523 W546 E547 Y548	L505-E537 HydrophobicContact CD2-CG 3.88Å; N506-E537 VanDerWaalsContact CB-OE2 3.28Å; N506-E537 WeakPolarHBondContact CB-OE2 3.21Å; N506-E537 PolarHBondContact N-OE2 2.8Å; N506-E537 PolarHBondContact ND2-OE2 3.35Å; R509-E537 IonicContact CZ-OE1 2.93Å; R509-E537 VanDerWaalsContact CZ-OE1 3.28Å; R509-E537 IonicContact NE-OE1 3.7Å; R509-E537 PolarHBondContact NE-OE1 3.41Å; R509-E537 IonicContact NH2-OE1 2.64Å; R509-E537 PolarHBondContact NH2-OE1 3.45Å; Y522-E537 CarbonylContact C-O 3.44Å; Y522-E537 WeakPolarHBondContact CA-O 3.38Å; A523-E537 HydrophobicContact CB-CG 4.27Å; A523-E537 PolarHBondContact N-O 2.89Å; A523-E537 PolarHBondContact O-N 2.93Å; E537-W546 HydrophobicContact CB-CE3 4.27Å; E537-W546 HydrophobicContact CG-CE3 3.72Å; E537-W546 HydrophobicContact CG-CZ3 4.24Å; E537-E547 CarbonylContact C-O 3.55Å; E537-E547 VanDerWaalsContact CA-O 3.23Å; E537-E547 WeakPolarHBondContact CA-O 3.32Å; E537-E547 WeakPolarHBondContact CB-O 3.23Å; E537-Y548 HydrophobicContact CB-CD1 4.06Å; E537-Y548 HydrophobicContact CB-CE1 4.35Å
538	R	98.6	Very high	98	Very high	60 Å²	60	51.9 Å²	51.9	23%	0.226	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.9	177.5	75.9	178.3	-178.4	-167.9	-2.5	111.6	Y520 I521 Y522 W546 E547	Y520-R538 HydrophobicContact CD1-CG 4.34Å; I521-R538 CarbonylContact O-C 3.42Å; I521-R538 WeakPolarHBondContact O-CA 3.29Å; Y522-R538 HydrophobicContact CD1-CB 3.61Å; Y522-R538 HydrophobicContact CE1-CB 3.59Å; Y522-R538 HydrophobicContact CE1-CG 4.32Å; Y522-R538 HydrophobicContact CG-CB 4.15Å; R538-W546 VanDerWaalsContact C-CE3 3.43Å; R538-W546 CarbonylContact O-C 3.6Å; R538-W546 VanDerWaalsContact O-CA 3.28Å; R538-W546 WeakPolarHBondContact O-CA 3.2Å; R538-E547 HydrophobicContact CG-CG 3.74Å; R538-E547 IonicContact CZ-OE1 3.23Å; R538-E547 PolarHBondContact N-O 2.73Å; R538-E547 IonicContact NE-OE1 2.95Å; R538-E547 PolarHBondContact NE-OE1 2.92Å; R538-E547 IonicContact NH2-OE1 3.02Å; R538-E547 PolarHBondContact NH2-OE1 2.75Å; R538-E547 PolarHBondContact O-N 2.8Å
539	Y	98.8	Very high	98.1	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.3	176.3	178.7	-112.4	0	0	0	110.3	Y475 L502 A503 Y520 I521 P541 N544 C545 W546	Y475-Y539 HydrophobicContact CD1-CE1 4.34Å; Y475-Y539 HydrophobicContact CE1-CD1 4.39Å; Y475-Y539 AromaticContact CE1-CE1 3.82Å; Y475-Y539 HydrophobicContact CE1-CE1 3.82Å; L502-Y539 HydrophobicContact CD1-CE1 4.35Å; A503-Y539 HydrophobicContact CB-CE2 4.38Å; Y520-Y539 WeakPolarHBondContact CA-O 3.35Å; Y520-Y539 WeakPolarHBondContact CD1-O 3.33Å; I521-Y539 HydrophobicContact CD1-CD1 4.29Å; I521-Y539 PolarHBondContact N-O 2.81Å; I521-Y539 PolarHBondContact O-N 2.78Å; Y539-P541 HydrophobicContact CD1-CG 4Å; Y539-P541 HydrophobicContact CE1-CB 3.95Å; Y539-P541 HydrophobicContact CE1-CG 3.91Å; Y539-P541 WeakPolarHBondContact O-CD 3.48Å; Y539-N544 WeakPolarHBondContact CE2-OD1 3.47Å; Y539-N544 PolarHBondContact OH-OD1 3.25Å; Y539-C545 WeakPolarHBondContact CA-O 3.27Å; Y539-W546 AromaticContact CD2-CD1 3.82Å; Y539-W546 HydrophobicContact CD2-CD2 4.09Å; Y539-W546 AromaticContact CD2-CE2 3.69Å; Y539-W546 HydrophobicContact CD2-CG 4.19Å; Y539-W546 HydrophobicContact CD2-CZ2 4.19Å; Y539-W546 AromaticContact CD2-NE1 3.49Å; Y539-W546 HydrophobicContact CG-CD2 4.33Å; Y539-W546 AromaticContact CG-CE2 3.94Å; Y539-W546 HydrophobicContact CG-CH2 4.48Å; Y539-W546 HydrophobicContact CG-CZ2 4.03Å
540	D	98.2	Very high	98.2	Very high	14 Å²	14	49.7 Å²	49.7	8%	0.075	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109.6	169.4	-176	-32.9	0	0	0	109.4	Y520 K542 R543 N544 C545	Y520-D540 HydrophobicContact CD1-CB 4.12Å; Y520-D540 HydrophobicContact CE1-CB 3.81Å; D540-K542 VanDerWaalsContact C-N 3.26Å; D540-K542 PolarHBondContact O-N 3.05Å; D540-K542 WeakPolarHBondContact OD1-CA 3.1Å; D540-K542 VanDerWaalsContact OD1-CB 3.29Å; D540-K542 WeakPolarHBondContact OD1-CB 3.2Å; D540-K542 PolarHBondContact OD1-N 3.49Å; D540-R543 HydrophobicContact CB-CB 4.14Å; D540-R543 PolarHBondContact O-N 2.79Å; D540-R543 PolarHBondContact OD1-N 3.09Å; D540-R543 VanDerWaalsContact OD2-CD 3.26Å; D540-R543 WeakPolarHBondContact OD2-CD 3.36Å; D540-N544 WeakPolarHBondContact O-CA 3.43Å; D540-N544 PolarHBondContact O-N 2.92Å; D540-C545 PolarHBondContact N-O 2.59Å; D540-C545 PolarHBondContact O-N 2.96Å
541	P	97	Very high	98.3	Very high	32 Å²	32	46.8 Å²	46.8	21%	0.208	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.5	179.3	-20.1	31.6	0	0	0	114.5	L470 E519 Y539	L470-P541 HydrophobicContact CD2-CG 3.57Å; E519-P541 WeakPolarHBondContact O-CD 3.29Å; Y539-P541 HydrophobicContact CD1-CG 4Å; Y539-P541 HydrophobicContact CE1-CB 3.95Å; Y539-P541 HydrophobicContact CE1-CG 3.91Å; Y539-P541 WeakPolarHBondContact O-CD 3.48Å
542	K	96.3	Very high	98.3	Very high	156 Å²	156	44.7 Å²	44.7	68%	0.678	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-38.3	178.7	-66.4	171.7	172.1	163.5	0	111	E519 D540	E519-K542 IonicContact OE1-NZ 2.59Å; E519-K542 VanDerWaalsContact OE2-CE 3.27Å; E519-K542 WeakPolarHBondContact OE2-CE 3.17Å; E519-K542 IonicContact OE2-NZ 3.87Å; E519-K542 PolarHBondContact OE2-NZ 3.45Å; D540-K542 VanDerWaalsContact C-N 3.26Å; D540-K542 PolarHBondContact O-N 3.05Å; D540-K542 WeakPolarHBondContact OD1-CA 3.1Å; D540-K542 VanDerWaalsContact OD1-CB 3.29Å; D540-K542 WeakPolarHBondContact OD1-CB 3.2Å; D540-K542 PolarHBondContact OD1-N 3.49Å
543	R	97.9	Very high	98.3	Very high	160 Å²	160	47.1 Å²	47.1	60%	0.604	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-12	179.2	-64.5	172.9	64.4	-154.9	-2.6	113.4	D540 C545 E547	D540-R543 HydrophobicContact CB-CB 4.14Å; D540-R543 PolarHBondContact O-N 2.79Å; D540-R543 PolarHBondContact OD1-N 3.09Å; D540-R543 VanDerWaalsContact OD2-CD 3.26Å; D540-R543 WeakPolarHBondContact OD2-CD 3.36Å; R543-C545 VanDerWaalsContact C-N 3.33Å; R543-C545 VanDerWaalsContact CB-SG 3.53Å; R543-C545 PolarHBondContact O-N 2.89Å; R543-E547 IonicContact NH1-OE2 2.65Å; R543-E547 PolarHBondContact NH1-OE2 2.88Å
544	N	98.3	Very high	98.3	Very high	76 Å²	76	50.3 Å²	50.3	41%	0.406	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	54.5	-173.2	-173.7	25.8	0	0	0	111.3	A503 Y539 D540	A503-N544 WeakPolarHBondContact CB-O 3.48Å; A503-N544 VanDerWaalsContact CB-OD1 3.26Å; A503-N544 WeakPolarHBondContact CB-OD1 3.49Å; A503-N544 PolarHBondContact N-OD1 3.26Å; Y539-N544 WeakPolarHBondContact CE2-OD1 3.47Å; Y539-N544 PolarHBondContact OH-OD1 3.25Å; D540-N544 WeakPolarHBondContact O-CA 3.43Å; D540-N544 PolarHBondContact O-N 2.92Å
545	C	98.6	Very high	98.3	Very high	35 Å²	35	49.9 Å²	49.9	24%	0.236	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.1	180	66.9	0	0	0	0	112	Y539 D540 R543	Y539-C545 WeakPolarHBondContact CA-O 3.27Å; D540-C545 PolarHBondContact N-O 2.59Å; D540-C545 PolarHBondContact O-N 2.96Å; R543-C545 VanDerWaalsContact C-N 3.33Å; R543-C545 VanDerWaalsContact CB-SG 3.53Å; R543-C545 PolarHBondContact O-N 2.89Å
546	W	98.8	Very high	98.3	Very high	18 Å²	18	48.8 Å²	48.8	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135	174.7	-68.4	88.4	0	0	0	110.9	V477 V489 A503 C504 L505 N506 I521 A523 E537 R538 Y539	V477-W546 HydrophobicContact CG1-CH2 4.01Å; V477-W546 HydrophobicContact CG1-CZ2 4.21Å; V477-W546 HydrophobicContact CG2-CH2 4.22Å; V477-W546 HydrophobicContact CG2-CZ2 4.28Å; V489-W546 HydrophobicContact CG1-CZ2 4.46Å; V489-W546 HydrophobicContact CG2-CZ2 3.82Å; A503-W546 PolarHBondContact O-NE1 2.89Å; C504-W546 VanDerWaalsContact C-CD1 3.49Å; L505-W546 HydrophobicContact CD2-CD2 3.67Å; L505-W546 HydrophobicContact CD2-CE3 3.64Å; L505-W546 HydrophobicContact CD2-CG 4.44Å; L505-W546 HydrophobicContact CD2-CH2 3.64Å; L505-W546 HydrophobicContact CD2-CZ2 3.67Å; L505-W546 HydrophobicContact CD2-CZ3 3.62Å; L505-W546 HydrophobicContact CG-CZ2 4.35Å; N506-W546 WeakPolarHBondContact ND2-CB 3.37Å; N506-W546 PolarHBondContact ND2-O 3.21Å; N506-W546 VanDerWaalsContact ND2-O 3.12Å; I521-W546 HydrophobicContact CG2-CH2 4.28Å; A523-W546 HydrophobicContact CB-CH2 4.09Å; A523-W546 HydrophobicContact CB-CZ3 3.76Å; E537-W546 HydrophobicContact CB-CE3 4.27Å; E537-W546 HydrophobicContact CG-CE3 3.72Å; E537-W546 HydrophobicContact CG-CZ3 4.24Å; R538-W546 VanDerWaalsContact C-CE3 3.43Å; R538-W546 CarbonylContact O-C 3.6Å; R538-W546 VanDerWaalsContact O-CA 3.28Å; R538-W546 WeakPolarHBondContact O-CA 3.2Å; Y539-W546 AromaticContact CD2-CD1 3.82Å; Y539-W546 HydrophobicContact CD2-CD2 4.09Å; Y539-W546 AromaticContact CD2-CE2 3.69Å; Y539-W546 HydrophobicContact CD2-CG 4.19Å; Y539-W546 HydrophobicContact CD2-CZ2 4.19Å; Y539-W546 AromaticContact CD2-NE1 3.49Å; Y539-W546 HydrophobicContact CG-CD2 4.33Å; Y539-W546 AromaticContact CG-CE2 3.94Å; Y539-W546 HydrophobicContact CG-CH2 4.48Å; Y539-W546 HydrophobicContact CG-CZ2 4.03Å
547	E	98.4	Very high	98.3	Very high	51 Å²	51	49.4 Å²	49.4	24%	0.238	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.8	176.8	61.6	-171.6	-165.6	0	0	111.3	E537 R538 R543	E537-E547 CarbonylContact C-O 3.55Å; E537-E547 VanDerWaalsContact CA-O 3.23Å; E537-E547 WeakPolarHBondContact CA-O 3.32Å; E537-E547 WeakPolarHBondContact CB-O 3.23Å; R538-E547 HydrophobicContact CG-CG 3.74Å; R538-E547 IonicContact CZ-OE1 3.23Å; R538-E547 PolarHBondContact N-O 2.73Å; R538-E547 IonicContact NE-OE1 2.95Å; R538-E547 PolarHBondContact NE-OE1 2.92Å; R538-E547 IonicContact NH2-OE1 3.02Å; R538-E547 PolarHBondContact NH2-OE1 2.75Å; R538-E547 PolarHBondContact O-N 2.8Å; R543-E547 IonicContact NH1-OE2 2.65Å; R543-E547 PolarHBondContact NH1-OE2 2.88Å
548	Y	98.6	Very high	98.3	Very high	118 Å²	118	50.3 Å²	50.3	46%	0.463	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	145.4	179.5	-72.1	-68.4	0	0	0	111.9	N506 E537	N506-Y548 HydrophobicContact CB-CE2 3.96Å; N506-Y548 VanDerWaalsContact CB-OH 3.24Å; N506-Y548 WeakPolarHBondContact CB-OH 2.99Å; E537-Y548 HydrophobicContact CB-CD1 4.06Å; E537-Y548 HydrophobicContact CB-CE1 4.35Å
549	C	98.5	Very high	98.2	Very high	15 Å²	15	48.1 Å²	48.1	10%	0.101	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-178.7	167.9	-59.4	0	0	0	0	109.1	M536 S551	M536-C549 HydrophobicContact CE-CB 3.51Å; M536-C549 PolarHBondContact O-N 3.25Å; C549-S551 PolarHBondContact O-N 3.33Å
550	A	98.5	Very high	98.2	Very high	26 Å²	26	48.4 Å²	48.4	22%	0.215	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-54.2	138.4	172.9	0	0	0	0	0	111.8	Y586 D591 W593	A550-Y586 HydrophobicContact CB-CE2 4.31Å; A550-D591 WeakPolarHBondContact CB-O 3.25Å; A550-D591 WeakPolarHBondContact CB-OD1 3.33Å; A550-D591 PolarHBondContact N-OD1 3.39Å; A550-W593 PolarHBondContact O-NE1 3.28Å
551	S	98.7	Very high	98.2	Very high	49 Å²	49	48.7 Å²	48.7	34%	0.343	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-80.7	148.4	178.9	-60.9	0	0	0	0	110.9	N534 C549	N534-S551 CarbonylContact O-C 3.4Å; N534-S551 WeakPolarHBondContact O-CA 3.37Å; N534-S551 WeakPolarHBondContact O-CB 3.37Å; C549-S551 PolarHBondContact O-N 3.33Å
552	M	98.6	Very high	98.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-56	157.1	168.9	-66.7	-179.5	-64.3	0	0	110.7	I524 N534 H554 R556 V570 E584 W593	I524-M552 HydrophobicContact CG2-CE 3.7Å; I524-M552 HydrophobicContact CG2-CG 4.06Å; I524-M552 HydrophobicContact CG2-SD 3.37Å; I524-M552 WeakPolarHBondContact CG2-SD 3.44Å; N534-M552 HydrophobicContact CB-CB 4.3Å; N534-M552 WeakPolarHBondContact CB-O 3.47Å; N534-M552 PolarHBondContact ND2-O 2.88Å; N534-M552 PolarHBondContact O-N 3.42Å; M552-H554 VanDerWaalsContact C-N 3.32Å; M552-R556 HydrophobicContact CE-CG 3.52Å; M552-R556 HydrophobicContact SD-CG 3.96Å; M552-V570 HydrophobicContact SD-CB 4.36Å; M552-V570 HydrophobicContact SD-CG1 4.2Å; M552-V570 HydrophobicContact SD-CG2 3.83Å; M552-E584 WeakPolarHBondContact CB-OE2 3.49Å; M552-W593 HydrophobicContact CB-CD2 4.47Å; M552-W593 HydrophobicContact CG-CD2 3.92Å; M552-W593 HydrophobicContact CG-CE3 4.11Å; M552-W593 HydrophobicContact CG-CH2 3.74Å; M552-W593 HydrophobicContact CG-CZ2 3.5Å; M552-W593 VanDerWaalsContact CG-CZ2 3.5Å; M552-W593 HydrophobicContact CG-CZ3 4.05Å; M552-W593 HydrophobicContact SD-CH2 4.28Å; M552-W593 HydrophobicContact SD-CZ2 4.49Å
553	L	98.2	Very high	98.3	Very high	90 Å²	90	42.2 Å²	42.2	47%	0.471	22%	0.223	S	C	.	.	S	Bend	trans	-66.6	-37.5	176.4	-55.1	174	0	0	0	110.7	E584 W593 E595	L553-E584 WeakPolarHBondContact CB-OE2 3.12Å; L553-E584 WeakPolarHBondContact CG-OE2 3.08Å; L553-E584 PolarHBondContact N-OE2 2.98Å; L553-W593 HydrophobicContact CG-CB 4.21Å; L553-E595 HydrophobicContact CD1-CG 3.53Å
554	H	98	Very high	98.1	Very high	70 Å²	70	36.9 Å²	36.9	32%	0.324	20%	0.202	S	C	.	.	S	Bend	trans	-120.8	137.1	-179.6	-52.3	84	0	0	0	112.6	M552 L580 E584 E595	M552-H554 VanDerWaalsContact C-N 3.32Å; H554-L580 HydrophobicContact CB-CD1 4.22Å; H554-E584 IonicContact CG-OE1 2.7Å; H554-E584 PolarHBondContact N-OE1 3.02Å; H554-E584 IonicContact ND1-OE1 3.82Å; H554-E584 PolarHBondContact ND1-OE1 3.06Å; H554-E595 IonicContact CE1-OE1 3.95Å; H554-E595 PolarHBondContact CE1-OE1 3.28Å; H554-E595 IonicContact ND1-OE1 3.23Å
555	P	98.5	Very high	97.8	Very high	50 Å²	50	35.4 Å²	35.4	33%	0.325	21%	0.206	S	C	.	.			trans	-66.7	139.1	170.7	28.7	-32.9	0	0	0	110.7	Q532 N534 D575	Q532-P555 HydrophobicContact CB-CB 4.11Å; Q532-P555 VanDerWaalsContact O-CB 3.26Å; Q532-P555 WeakPolarHBondContact O-CB 3.18Å; N534-P555 HydrophobicContact CB-CB 4.16Å; P555-D575 WeakPolarHBondContact O-CA 3.4Å; P555-D575 WeakPolarHBondContact O-CB 3.42Å
556	R	98.6	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.			trans	-158.3	144.3	-178.1	53.6	-176.7	78.9	-149.5	9	112.7	G526 L533 M552 L559 G572 Y574 L580 S582 E584	G526-R556 PolarHBondContact N-O 2.95Å; L533-R556 PolarHBondContact O-N 3.41Å; M552-R556 HydrophobicContact CE-CG 3.52Å; M552-R556 HydrophobicContact SD-CG 3.96Å; R556-L559 HydrophobicContact CG-CB 4.27Å; R556-L559 HydrophobicContact CG-CD1 4.45Å; R556-L559 HydrophobicContact CG-CD2 4.18Å; R556-G572 WeakPolarHBondContact CD-O 3.26Å; R556-G572 PolarHBondContact NH1-O 3.46Å; R556-Y574 CarbonylContact C-O 3.49Å; R556-Y574 WeakPolarHBondContact CA-O 3.09Å; R556-L580 HydrophobicContact CB-CD1 3.89Å; R556-S582 PolarHBondContact NH1-O 3.33Å; R556-S582 PolarHBondContact NH2-OG 2.83Å; R556-E584 IonicContact CZ-OE1 3.4Å; R556-E584 IonicContact NE-OE1 2.67Å; R556-E584 IonicContact NH2-OE1 3.9Å; R556-E584 PolarHBondContact NH2-OE1 2.86Å
557	S	98.4	Very high	97.5	Very high	13 Å²	13	41.1 Å²	41.1	9%	0.091	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-127.3	161.6	169	66.3	0	0	0	0	110.5	G511 L559 G573 Y574	G511-S557 CarbonylContact O-C 3.58Å; S557-L559 PolarHBondContact O-N 3.35Å; S557-L559 VanDerWaalsContact O-N 3.17Å; S557-G573 CarbonylContact O-C 3.56Å; S557-G573 VanDerWaalsContact O-CA 3.25Å; S557-G573 WeakPolarHBondContact O-CA 3.23Å; S557-Y574 PolarHBondContact N-O 2.86Å; S557-Y574 PolarHBondContact O-N 3.42Å; S557-Y574 PolarHBondContact OG-O 3.02Å
558	A	98	Very high	97.5	Very high	19 Å²	19	38.7 Å²	38.7	16%	0.157	22%	0.222	C	C	.	.	S	Bend	trans	50.6	35.9	-172	0	0	0	0	0	112.6	G511 G605	G511-A558 WeakPolarHBondContact O-CA 3.33Å; G511-A558 PolarHBondContact O-N 3.31Å; A558-G605 PolarHBondContact O-N 3.46Å
559	L	98.5	Very high	97.5	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.073	20%	0.201	C	C	.	.			trans	-75.6	162.5	171.1	67	146.6	0	0	0	110.7	G511 I524 R556 S557 V570	G511-L559 WeakPolarHBondContact O-CD2 3.22Å; I524-L559 HydrophobicContact CG2-CD1 4.28Å; R556-L559 HydrophobicContact CG-CB 4.27Å; R556-L559 HydrophobicContact CG-CD1 4.45Å; R556-L559 HydrophobicContact CG-CD2 4.18Å; S557-L559 PolarHBondContact O-N 3.35Å; S557-L559 VanDerWaalsContact O-N 3.17Å; L559-V570 HydrophobicContact CD1-CB 3.76Å; L559-V570 HydrophobicContact CD1-CG1 3.62Å
560	S	98.4	Very high	97.5	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144	161	-53.3	0	0	0	0	109.9	V570 F571 H606 V608	S560-V570 CarbonylContact O-C 3.54Å; S560-V570 VanDerWaalsContact O-CA 3.31Å; S560-V570 WeakPolarHBondContact O-CA 3.44Å; S560-F571 PolarHBondContact N-O 2.95Å; S560-F571 VanDerWaalsContact N-O 3.07Å; S560-F571 PolarHBondContact O-N 3.02Å; S560-H606 VanDerWaalsContact OG-C 3.32Å; S560-H606 PolarHBondContact OG-CD2 2.73Å; S560-H606 PolarHBondContact OG-CE1 3.15Å; S560-H606 PolarHBondContact OG-NE2 3.42Å; S560-H606 PolarHBondContact OG-O 3.3Å; S560-V608 VanDerWaalsContact CB-CG2 3.44Å
561	A	98.4	Very high	97.5	Very high	20 Å²	20	31.3 Å²	31.3	17%	0.165	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.6	172.3	0	0	0	0	0	110.5	V515 I524 W569 V570	V515-A561 HydrophobicContact CG1-CB 3.85Å; I524-A561 HydrophobicContact CD1-CB 4.2Å; A561-W569 CarbonylContact C-O 3.56Å; A561-W569 VanDerWaalsContact CA-O 3.24Å; A561-W569 WeakPolarHBondContact CA-O 3.1Å; A561-V570 HydrophobicContact CB-CG1 4.17Å
562	S	97.8	Very high	97.5	Very high	14 Å²	14	29 Å²	29	10%	0.098	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	162.9	175.7	-146	0	0	0	0	110.8	W569	S562-W569 PolarHBondContact N-O 2.94Å; S562-W569 PolarHBondContact O-N 3.48Å
563	V	96.9	Very high	97.5	Very high	38 Å²	38	28.8 Å²	28.8	23%	0.23	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.2	177.1	172.5	0	0	0	0	108.2	V515 L517 E567 I568 V610	V515-V563 HydrophobicContact CB-CG2 3.84Å; V515-V563 HydrophobicContact CG1-CG2 4.36Å; V515-V563 HydrophobicContact CG2-CG2 3.91Å; L517-V563 HydrophobicContact CB-CG2 4.23Å; L517-V563 HydrophobicContact CD1-CG1 3.83Å; V563-E567 WeakPolarHBondContact CA-O 3.27Å; V563-I568 HydrophobicContact CG2-CG1 4.29Å; V563-V610 VanDerWaalsContact O-CG2 3.28Å; V563-V610 WeakPolarHBondContact O-CG2 3.46Å
564	W	94.6	Very high	97.5	Very high	48 Å²	48	28 Å²	28	18%	0.182	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.4	173.4	-177	91.4	0	0	0	108.6	E328 L330 P349 L350 N566 E567 W569 V610	E328-W564 PolarHBondContact O-NE1 3.32Å; L330-W564 HydrophobicContact CD1-CB 4.33Å; L330-W564 HydrophobicContact CD1-CG 4.49Å; P349-W564 HydrophobicContact CB-CD2 4.06Å; P349-W564 HydrophobicContact CB-CE3 3.94Å; P349-W564 HydrophobicContact CB-CH2 3.74Å; P349-W564 HydrophobicContact CB-CZ2 3.84Å; P349-W564 HydrophobicContact CB-CZ3 3.79Å; P349-W564 HydrophobicContact CG-CD2 3.69Å; P349-W564 HydrophobicContact CG-CE3 4.06Å; P349-W564 HydrophobicContact CG-CG 4.1Å; P349-W564 HydrophobicContact CG-CH2 4.32Å; P349-W564 HydrophobicContact CG-CZ2 3.96Å; P349-W564 HydrophobicContact CG-CZ3 4.35Å; L350-W564 HydrophobicContact CD2-CH2 3.93Å; L350-W564 HydrophobicContact CD2-CZ2 4.38Å; L350-W564 HydrophobicContact CG-CH2 4.21Å; L350-W564 HydrophobicContact CG-CZ2 4.2Å; W564-N566 PolarHBondContact O-N 2.89Å; W564-E567 PolarHBondContact N-O 3.4Å; W564-E567 PolarHBondContact O-N 2.97Å; W564-W569 HydrophobicContact CE3-CZ2 4.25Å; W564-V610 HydrophobicContact CB-CG2 4.02Å
565	G	91.2	Very high	97.5	Very high	46 Å²	46	27.1 Å²	27.1	47%	0.474	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-127.2	-167.4	0	0	0	0	0	111.4
566	N	93.8	Very high	97.4	Very high	130 Å²	130	26.2 Å²	26.2	70%	0.695	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	26.3	178.2	-68.6	-31.9	0	0	0	112.4	W564 P588	W564-N566 PolarHBondContact O-N 2.89Å; N566-P588 WeakPolarHBondContact O-CD 3.39Å
567	E	97.5	Very high	97.3	Very high	42 Å²	42	30.5 Å²	30.5	20%	0.196	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.8	-175.9	-62.1	-173.1	138.8	0	0	110.8	V563 W564 V585 Y586 N587	V563-E567 WeakPolarHBondContact CA-O 3.27Å; W564-E567 PolarHBondContact N-O 3.4Å; W564-E567 PolarHBondContact O-N 2.97Å; E567-V585 HydrophobicContact CB-CG1 3.71Å; E567-V585 HydrophobicContact CG-CG1 4.3Å; E567-V585 WeakPolarHBondContact OE2-CG1 3.49Å; E567-Y586 WeakPolarHBondContact CA-O 3.47Å; E567-Y586 WeakPolarHBondContact CB-O 3.13Å; E567-N587 PolarHBondContact OE1-ND2 2.95Å
568	I	98.6	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.7	176.3	-55.7	174.3	0	0	0	108.5	V515 L517 Y522 I524 V563 V585 Y586	V515-I568 HydrophobicContact CG2-CD1 3.91Å; V515-I568 HydrophobicContact CG2-CG1 4.07Å; V515-I568 HydrophobicContact CG2-CG2 3.77Å; L517-I568 HydrophobicContact CB-CG1 4.5Å; L517-I568 HydrophobicContact CD2-CD1 4.16Å; L517-I568 HydrophobicContact CD2-CG1 3.62Å; Y522-I568 HydrophobicContact CD1-CD1 3.82Å; Y522-I568 HydrophobicContact CD2-CD1 3.58Å; Y522-I568 HydrophobicContact CE1-CD1 4.25Å; Y522-I568 HydrophobicContact CE2-CD1 4.05Å; Y522-I568 HydrophobicContact CG-CD1 3.46Å; Y522-I568 VanDerWaalsContact CG-CD1 3.46Å; I524-I568 HydrophobicContact CD1-CG2 3.58Å; V563-I568 HydrophobicContact CG2-CG1 4.29Å; I568-V585 CarbonylContact O-C 3.49Å; I568-V585 WeakPolarHBondContact O-CA 3.49Å; I568-Y586 HydrophobicContact CB-CD1 4.4Å; I568-Y586 HydrophobicContact CD1-CD1 3.91Å; I568-Y586 HydrophobicContact CD1-CE1 4.45Å; I568-Y586 HydrophobicContact CG1-CD1 4.26Å; I568-Y586 PolarHBondContact N-O 2.57Å; I568-Y586 VanDerWaalsContact N-O 3.07Å; I568-Y586 PolarHBondContact O-N 2.9Å
569	W	98.4	Very high	97.2	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.5	-179.2	-67.2	65.3	0	0	0	109.8	L330 Y347 P349 A561 S562 W564 F571 V583 E584 V585 R596	L330-W569 HydrophobicContact CD1-CD2 4.16Å; L330-W569 HydrophobicContact CD1-CE3 4.16Å; L330-W569 HydrophobicContact CD1-CG 4.49Å; Y347-W569 HydrophobicContact CD1-CZ3 4.3Å; Y347-W569 HydrophobicContact CE1-CE3 4.34Å; Y347-W569 AromaticContact CE1-CH2 3.77Å; Y347-W569 HydrophobicContact CE1-CH2 3.77Å; Y347-W569 AromaticContact CE1-CZ3 3.44Å; Y347-W569 HydrophobicContact CE1-CZ3 3.44Å; Y347-W569 VanDerWaalsContact CE1-CZ3 3.44Å; P349-W569 HydrophobicContact CB-CH2 3.93Å; P349-W569 HydrophobicContact CB-CZ2 3.99Å; P349-W569 HydrophobicContact CG-CH2 4.29Å; P349-W569 HydrophobicContact CG-CZ2 4.3Å; A561-W569 CarbonylContact C-O 3.56Å; A561-W569 VanDerWaalsContact CA-O 3.24Å; A561-W569 WeakPolarHBondContact CA-O 3.1Å; S562-W569 PolarHBondContact N-O 2.94Å; S562-W569 PolarHBondContact O-N 3.48Å; W564-W569 HydrophobicContact CE3-CZ2 4.25Å; W569-F571 HydrophobicContact CB-CD2 4.46Å; W569-F571 HydrophobicContact CB-CE2 3.4Å; W569-F571 HydrophobicContact CB-CZ 3.64Å; W569-F571 HydrophobicContact CD2-CZ 4.36Å; W569-F571 HydrophobicContact CE3-CE1 4.37Å; W569-F571 AromaticContact CE3-CZ 3.86Å; W569-F571 HydrophobicContact CE3-CZ 3.86Å; W569-F571 HydrophobicContact CG-CE2 4.5Å; W569-F571 HydrophobicContact CG-CZ 4.33Å; W569-V583 HydrophobicContact CE3-CG1 3.83Å; W569-V583 HydrophobicContact CZ3-CG1 4.17Å; W569-E584 WeakPolarHBondContact CA-O 3.41Å; W569-V585 HydrophobicContact CD2-CB 4.41Å; W569-V585 HydrophobicContact CD2-CG1 4.21Å; W569-V585 HydrophobicContact CD2-CG2 3.4Å; W569-V585 HydrophobicContact CE3-CG2 3.34Å; W569-V585 HydrophobicContact CG-CG1 4.39Å; W569-V585 HydrophobicContact CG-CG2 4.06Å; W569-V585 HydrophobicContact CH2-CG2 3.74Å; W569-V585 HydrophobicContact CZ2-CG1 4.19Å; W569-V585 HydrophobicContact CZ2-CG2 3.79Å; W569-V585 HydrophobicContact CZ3-CG2 3.51Å; W569-R596 HydrophobicContact CH2-CG 3.81Å; W569-R596 HydrophobicContact CZ3-CB 4.02Å; W569-R596 HydrophobicContact CZ3-CG 3.69Å
570	V	98.6	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.2	175	-61.3	0	0	0	0	110.9	I524 M552 L559 S560 A561 V583 E584 W593	I524-V570 HydrophobicContact CD1-CG1 4.29Å; I524-V570 HydrophobicContact CG2-CG1 3.94Å; M552-V570 HydrophobicContact SD-CB 4.36Å; M552-V570 HydrophobicContact SD-CG1 4.2Å; M552-V570 HydrophobicContact SD-CG2 3.83Å; L559-V570 HydrophobicContact CD1-CB 3.76Å; L559-V570 HydrophobicContact CD1-CG1 3.62Å; S560-V570 CarbonylContact O-C 3.54Å; S560-V570 VanDerWaalsContact O-CA 3.31Å; S560-V570 WeakPolarHBondContact O-CA 3.44Å; A561-V570 HydrophobicContact CB-CG1 4.17Å; V570-V583 VanDerWaalsContact O-CA 3.32Å; V570-V583 WeakPolarHBondContact O-CA 3.47Å; V570-E584 HydrophobicContact CG2-CB 3.65Å; V570-E584 HydrophobicContact CG2-CG 4.41Å; V570-E584 WeakPolarHBondContact CG2-O 3.38Å; V570-E584 PolarHBondContact N-O 3.02Å; V570-E584 PolarHBondContact O-N 3.17Å; V570-W593 HydrophobicContact CB-CZ3 4.4Å; V570-W593 HydrophobicContact CG1-CH2 3.79Å; V570-W593 HydrophobicContact CG1-CZ3 3.92Å; V570-W593 HydrophobicContact CG2-CE3 4.4Å; V570-W593 HydrophobicContact CG2-CH2 4.23Å; V570-W593 HydrophobicContact CG2-CZ3 3.64Å
571	F	98.5	Very high	97.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.8	-171.7	-56.3	-100.3	0	0	0	109.9	L330 W354 S560 W569 V583 M599 H606 V608	L330-F571 HydrophobicContact CD1-CZ 3.87Å; L330-F571 HydrophobicContact CD2-CE2 4.2Å; L330-F571 HydrophobicContact CD2-CZ 4.02Å; L330-F571 HydrophobicContact CG-CZ 4.4Å; W354-F571 AromaticContact CH2-CD1 4Å; W354-F571 HydrophobicContact CH2-CD1 4Å; W354-F571 HydrophobicContact CH2-CE1 4.02Å; W354-F571 HydrophobicContact CZ2-CD1 4.14Å; W354-F571 HydrophobicContact CZ2-CE1 4.1Å; S560-F571 PolarHBondContact N-O 2.95Å; S560-F571 VanDerWaalsContact N-O 3.07Å; S560-F571 PolarHBondContact O-N 3.02Å; W569-F571 HydrophobicContact CB-CD2 4.46Å; W569-F571 HydrophobicContact CB-CE2 3.4Å; W569-F571 HydrophobicContact CB-CZ 3.64Å; W569-F571 HydrophobicContact CD2-CZ 4.36Å; W569-F571 HydrophobicContact CE3-CE1 4.37Å; W569-F571 AromaticContact CE3-CZ 3.86Å; W569-F571 HydrophobicContact CE3-CZ 3.86Å; W569-F571 HydrophobicContact CG-CE2 4.5Å; W569-F571 HydrophobicContact CG-CZ 4.33Å; F571-V583 HydrophobicContact CD1-CB 4.28Å; F571-V583 HydrophobicContact CD1-CG1 3.75Å; F571-V583 HydrophobicContact CD1-CG2 3.57Å; F571-V583 HydrophobicContact CE1-CB 4.42Å; F571-V583 HydrophobicContact CE1-CG1 3.51Å; F571-V583 HydrophobicContact CE1-CG2 4Å; F571-V583 HydrophobicContact CG-CG1 4.47Å; F571-V583 HydrophobicContact CG-CG2 4.45Å; F571-V583 HydrophobicContact CZ-CG1 4.06Å; F571-M599 HydrophobicContact CB-CE 4.41Å; F571-M599 HydrophobicContact CB-SD 4.19Å; F571-H606 WeakPolarHBondContact CB-NE2 3.26Å; F571-H606 PolarHBondContact O-CE1 2.65Å; F571-V608 HydrophobicContact CB-CG2 4.08Å; F571-V608 HydrophobicContact CD1-CG2 4.5Å; F571-V608 HydrophobicContact CD2-CB 4.09Å; F571-V608 HydrophobicContact CD2-CG1 3.92Å; F571-V608 HydrophobicContact CD2-CG2 3.85Å; F571-V608 HydrophobicContact CE2-CB 4.39Å; F571-V608 HydrophobicContact CE2-CG1 3.72Å; F571-V608 HydrophobicContact CE2-CG2 4.46Å; F571-V608 HydrophobicContact CG-CG2 3.9Å; F571-V608 HydrophobicContact CZ-CG1 4.22Å
572	G	98.3	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.			trans	48	-139.3	173.8	0	0	0	0	0	114.3	R556 L580 S582	R556-G572 WeakPolarHBondContact CD-O 3.26Å; R556-G572 PolarHBondContact NH1-O 3.46Å; G572-L580 WeakPolarHBondContact CA-O 3.34Å; G572-S582 PolarHBondContact N-O 2.85Å; G572-S582 VanDerWaalsContact N-O 3.09Å
573	G	98.4	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.209	C	C	.	.			trans	105	-169.3	-171.1	0	0	0	0	0	111.8	S557 F579 L580 K603	S557-G573 CarbonylContact O-C 3.56Å; S557-G573 VanDerWaalsContact O-CA 3.25Å; S557-G573 WeakPolarHBondContact O-CA 3.23Å; G573-F579 WeakPolarHBondContact O-CA 3.41Å; G573-L580 PolarHBondContact O-N 2.94Å; G573-K603 PolarHBondContact N-O 2.82Å
574	Y	98.4	Very high	97.2	Very high	74 Å²	74	34.6 Å²	34.6	29%	0.29	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-126	130.3	179.1	-178.1	-112.5	0	0	0	109.2	Q532 R556 S557 G576 S577 E578 F579	Q532-Y574 VanDerWaalsContact CG-O 3.26Å; Q532-Y574 WeakPolarHBondContact CG-O 3.35Å; R556-Y574 CarbonylContact C-O 3.49Å; R556-Y574 WeakPolarHBondContact CA-O 3.09Å; S557-Y574 PolarHBondContact N-O 2.86Å; S557-Y574 PolarHBondContact O-N 3.42Å; S557-Y574 PolarHBondContact OG-O 3.02Å; Y574-G576 VanDerWaalsContact OH-C 3.22Å; Y574-G576 PolarHBondContact OH-O 2.96Å; Y574-G576 VanDerWaalsContact OH-O 3.09Å; Y574-S577 VanDerWaalsContact CE2-C 3.44Å; Y574-S577 WeakPolarHBondContact CE2-O 3.38Å; Y574-S577 PolarHBondContact OH-N 2.64Å; Y574-S577 PolarHBondContact OH-O 2.84Å; Y574-E578 WeakPolarHBondContact CD2-O 3.39Å; Y574-F579 AromaticContact CD2-CD1 3.96Å; Y574-F579 HydrophobicContact CD2-CD1 3.96Å; Y574-F579 AromaticContact CD2-CE1 3.99Å; Y574-F579 HydrophobicContact CD2-CE1 3.99Å; Y574-F579 HydrophobicContact CD2-CG 4.42Å; Y574-F579 HydrophobicContact CD2-CZ 4.48Å
575	D	97.9	Very high	97.4	Very high	50 Å²	50	32.3 Å²	32.3	27%	0.267	19%	0.189	S	C	.	.			trans	-94	-2.3	-175.3	69.6	0.5	0	0	0	114.2	Q532 P555 S577 E578 L580	Q532-D575 WeakPolarHBondContact CB-O 3.43Å; P555-D575 WeakPolarHBondContact O-CA 3.4Å; P555-D575 WeakPolarHBondContact O-CB 3.42Å; D575-S577 WeakPolarHBondContact OD1-CA 3.43Å; D575-S577 PolarHBondContact OD1-N 2.93Å; D575-E578 PolarHBondContact N-O 2.8Å; D575-E578 PolarHBondContact OD1-N 3.41Å; D575-L580 HydrophobicContact CB-CD1 4.24Å; D575-L580 HydrophobicContact CB-CD2 4.23Å; D575-L580 HydrophobicContact CB-CG 4.31Å
576	G	95.8	Very high	97.8	Very high	31 Å²	31	30.2 Å²	30.2	32%	0.32	17%	0.167	S	C	.	.	S	Bend	trans	105.7	-11	-173.7	0	0	0	0	0	113.5	Q532 Y574	Q532-G576 VanDerWaalsContact OE1-CA 3.28Å; Y574-G576 VanDerWaalsContact OH-C 3.22Å; Y574-G576 PolarHBondContact OH-O 2.96Å; Y574-G576 VanDerWaalsContact OH-O 3.09Å
577	S	96.4	Very high	98	Very high	91 Å²	91	25.5 Å²	25.5	64%	0.636	14%	0.142	S	C	*	.	S	Bend	trans	-129.2	-51.7	175.8	-63.1	0	0	0	0	111.5	Y574 D575	Y574-S577 VanDerWaalsContact CE2-C 3.44Å; Y574-S577 WeakPolarHBondContact CE2-O 3.38Å; Y574-S577 PolarHBondContact OH-N 2.64Å; Y574-S577 PolarHBondContact OH-O 2.84Å; D575-S577 WeakPolarHBondContact OD1-CA 3.43Å; D575-S577 PolarHBondContact OD1-N 2.93Å
578	E	97.1	Very high	98	Very high	116 Å²	116	25.1 Å²	25.1	54%	0.542	14%	0.143	S	C	.	.	S	Bend	trans	-127.8	158.5	-171.7	-70.2	-64.8	159.4	0	0	113.1	Y574 D575	Y574-E578 WeakPolarHBondContact CD2-O 3.39Å; D575-E578 PolarHBondContact N-O 2.8Å; D575-E578 PolarHBondContact OD1-N 3.41Å
579	F	97.9	Very high	97.9	Very high	44 Å²	44	32.7 Å²	32.7	19%	0.193	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-82	124.3	169.5	-61.7	-73.8	0	0	0	109.8	Y336 L337 R338 G573 Y574 G602 S604	Y336-F579 AromaticContact CD1-CE1 3.86Å; Y336-F579 HydrophobicContact CD1-CE1 3.86Å; Y336-F579 AromaticContact CD1-CZ 3.66Å; Y336-F579 HydrophobicContact CD1-CZ 3.66Å; Y336-F579 HydrophobicContact CE1-CE1 4.38Å; Y336-F579 AromaticContact CE1-CZ 3.75Å; Y336-F579 HydrophobicContact CE1-CZ 3.75Å; L337-F579 HydrophobicContact CD1-CB 4.2Å; L337-F579 HydrophobicContact CD1-CD2 3.61Å; L337-F579 HydrophobicContact CD1-CE2 4.34Å; L337-F579 HydrophobicContact CD1-CG 4.13Å; R338-F579 HydrophobicContact CG-CE2 4.3Å; G573-F579 WeakPolarHBondContact O-CA 3.41Å; Y574-F579 AromaticContact CD2-CD1 3.96Å; Y574-F579 HydrophobicContact CD2-CD1 3.96Å; Y574-F579 AromaticContact CD2-CE1 3.99Å; Y574-F579 HydrophobicContact CD2-CE1 3.99Å; Y574-F579 HydrophobicContact CD2-CG 4.42Å; Y574-F579 HydrophobicContact CD2-CZ 4.48Å; F579-G602 WeakPolarHBondContact O-CA 3.24Å; F579-S604 VanDerWaalsContact CE1-OG 3.3Å; F579-S604 WeakPolarHBondContact CE1-OG 3.47Å
580	L	98.2	Very high	97.9	Very high	20 Å²	20	39.1 Å²	39.1	11%	0.105	21%	0.21	C	C	.	.			trans	-83.6	137.5	-176.5	-59	-179.3	0	0	0	111.4	H554 R556 G572 G573 D575 G602 K603	H554-L580 HydrophobicContact CB-CD1 4.22Å; R556-L580 HydrophobicContact CB-CD1 3.89Å; G572-L580 WeakPolarHBondContact CA-O 3.34Å; G573-L580 PolarHBondContact O-N 2.94Å; D575-L580 HydrophobicContact CB-CD1 4.24Å; D575-L580 HydrophobicContact CB-CD2 4.23Å; D575-L580 HydrophobicContact CB-CG 4.31Å; L580-G602 VanDerWaalsContact C-CA 3.43Å; L580-G602 VanDerWaalsContact O-CA 3.3Å; L580-G602 WeakPolarHBondContact O-CA 3.21Å; L580-K603 PolarHBondContact O-N 3.22Å; L580-K603 VanDerWaalsContact O-N 3.16Å
581	A	97.6	Very high	97.9	Very high	23 Å²	23	42.7 Å²	42.7	19%	0.19	23%	0.229	C	C	.	.			trans	-95.6	-12.5	166.8	0	0	0	0	0	112.3	F598 M599	A581-F598 HydrophobicContact CB-CB 4.34Å; A581-M599 PolarHBondContact O-N 2.9Å
582	S	98.1	Very high	97.9	Very high	7 Å²	7	48.1 Å²	48.1	5%	0.049	25%	0.254	C	S	.	.			trans	-67.5	143.4	-171.3	58.6	0	0	0	0	112.8	R556 G572	R556-S582 PolarHBondContact NH1-O 3.33Å; R556-S582 PolarHBondContact NH2-OG 2.83Å; G572-S582 PolarHBondContact N-O 2.85Å; G572-S582 VanDerWaalsContact N-O 3.09Å
583	V	98.4	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.3	176	-178.7	0	0	0	0	107.9	W354 W569 V570 F571 E595 R596 M599	W354-V583 HydrophobicContact CZ2-CG2 4.28Å; W569-V583 HydrophobicContact CE3-CG1 3.83Å; W569-V583 HydrophobicContact CZ3-CG1 4.17Å; V570-V583 VanDerWaalsContact O-CA 3.32Å; V570-V583 WeakPolarHBondContact O-CA 3.47Å; F571-V583 HydrophobicContact CD1-CB 4.28Å; F571-V583 HydrophobicContact CD1-CG1 3.75Å; F571-V583 HydrophobicContact CD1-CG2 3.57Å; F571-V583 HydrophobicContact CE1-CB 4.42Å; F571-V583 HydrophobicContact CE1-CG1 3.51Å; F571-V583 HydrophobicContact CE1-CG2 4Å; F571-V583 HydrophobicContact CG-CG1 4.47Å; F571-V583 HydrophobicContact CG-CG2 4.45Å; F571-V583 HydrophobicContact CZ-CG1 4.06Å; V583-E595 WeakPolarHBondContact O-CA 3.25Å; V583-R596 HydrophobicContact CB-CB 4.43Å; V583-R596 HydrophobicContact CG1-CB 4.25Å; V583-R596 PolarHBondContact O-N 2.86Å; V583-M599 HydrophobicContact CG2-CG 4.2Å
584	E	98.4	Very high	97.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.2	177.2	-54.2	-178.9	-147.8	0	0	110.6	M552 L553 H554 R556 W569 V570 W593 T594 E595	M552-E584 WeakPolarHBondContact CB-OE2 3.49Å; L553-E584 WeakPolarHBondContact CB-OE2 3.12Å; L553-E584 WeakPolarHBondContact CG-OE2 3.08Å; L553-E584 PolarHBondContact N-OE2 2.98Å; H554-E584 IonicContact CG-OE1 2.7Å; H554-E584 PolarHBondContact N-OE1 3.02Å; H554-E584 IonicContact ND1-OE1 3.82Å; H554-E584 PolarHBondContact ND1-OE1 3.06Å; R556-E584 IonicContact CZ-OE1 3.4Å; R556-E584 IonicContact NE-OE1 2.67Å; R556-E584 IonicContact NH2-OE1 3.9Å; R556-E584 PolarHBondContact NH2-OE1 2.86Å; W569-E584 WeakPolarHBondContact CA-O 3.41Å; V570-E584 HydrophobicContact CG2-CB 3.65Å; V570-E584 HydrophobicContact CG2-CG 4.41Å; V570-E584 WeakPolarHBondContact CG2-O 3.38Å; V570-E584 PolarHBondContact N-O 3.02Å; V570-E584 PolarHBondContact O-N 3.17Å; E584-W593 HydrophobicContact CB-CE3 3.72Å; E584-W593 HydrophobicContact CB-CZ3 4.19Å; E584-T594 CarbonylContact C-O 3.57Å; E584-T594 WeakPolarHBondContact CA-O 3.35Å; E584-E595 HydrophobicContact CG-CG 4.43Å
585	V	98.4	Very high	97.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.4	-176.9	-174.1	0	0	0	0	109.7	E567 I568 W569 W593 T594 R596	E567-V585 HydrophobicContact CB-CG1 3.71Å; E567-V585 HydrophobicContact CG-CG1 4.3Å; E567-V585 WeakPolarHBondContact OE2-CG1 3.49Å; I568-V585 CarbonylContact O-C 3.49Å; I568-V585 WeakPolarHBondContact O-CA 3.49Å; W569-V585 HydrophobicContact CD2-CB 4.41Å; W569-V585 HydrophobicContact CD2-CG1 4.21Å; W569-V585 HydrophobicContact CD2-CG2 3.4Å; W569-V585 HydrophobicContact CE3-CG2 3.34Å; W569-V585 HydrophobicContact CG-CG1 4.39Å; W569-V585 HydrophobicContact CG-CG2 4.06Å; W569-V585 HydrophobicContact CH2-CG2 3.74Å; W569-V585 HydrophobicContact CZ2-CG1 4.19Å; W569-V585 HydrophobicContact CZ2-CG2 3.79Å; W569-V585 HydrophobicContact CZ3-CG2 3.51Å; V585-W593 CarbonylContact O-C 3.59Å; V585-W593 WeakPolarHBondContact O-CA 3.44Å; V585-T594 PolarHBondContact N-O 3.08Å; V585-T594 PolarHBondContact O-N 2.81Å; V585-T594 PolarHBondContact O-OG1 2.84Å; V585-R596 HydrophobicContact CB-CG 4.5Å; V585-R596 HydrophobicContact CG2-CB 4.45Å; V585-R596 HydrophobicContact CG2-CG 3.47Å; V585-R596 VanDerWaalsContact CG2-CG 3.47Å
586	Y	98.8	Very high	97.7	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.2	175.1	175.9	-109.9	0	0	0	111.1	Y522 M536 A550 E567 I568 P588 D591 Q592 W593	Y522-Y586 HydrophobicContact CE1-CE1 4.05Å; M536-Y586 HydrophobicContact CE-CD1 3.71Å; M536-Y586 HydrophobicContact CE-CD2 3.64Å; M536-Y586 HydrophobicContact CE-CE1 3.53Å; M536-Y586 HydrophobicContact CE-CE2 3.48Å; M536-Y586 VanDerWaalsContact CE-CE2 3.48Å; M536-Y586 HydrophobicContact CE-CG 3.74Å; M536-Y586 VanDerWaalsContact CE-CZ 3.42Å; M536-Y586 HydrophobicContact SD-CD1 4.48Å; A550-Y586 HydrophobicContact CB-CE2 4.31Å; E567-Y586 WeakPolarHBondContact CA-O 3.47Å; E567-Y586 WeakPolarHBondContact CB-O 3.13Å; I568-Y586 HydrophobicContact CB-CD1 4.4Å; I568-Y586 HydrophobicContact CD1-CD1 3.91Å; I568-Y586 HydrophobicContact CD1-CE1 4.45Å; I568-Y586 HydrophobicContact CG1-CD1 4.26Å; I568-Y586 PolarHBondContact N-O 2.57Å; I568-Y586 VanDerWaalsContact N-O 3.07Å; I568-Y586 PolarHBondContact O-N 2.9Å; Y586-P588 HydrophobicContact CD1-CB 4.48Å; Y586-P588 HydrophobicContact CD1-CG 4Å; Y586-P588 HydrophobicContact CE1-CB 3.83Å; Y586-P588 HydrophobicContact CE1-CG 3.82Å; Y586-P588 WeakPolarHBondContact O-CD 3.42Å; Y586-D591 VanDerWaalsContact CE2-OD1 3.28Å; Y586-D591 WeakPolarHBondContact CE2-OD1 3.29Å; Y586-D591 PolarHBondContact OH-OD1 2.89Å; Y586-Q592 WeakPolarHBondContact CA-O 3.5Å; Y586-W593 AromaticContact CD2-CD1 3.89Å; Y586-W593 HydrophobicContact CD2-CD2 4.18Å; Y586-W593 AromaticContact CD2-CE2 3.78Å; Y586-W593 HydrophobicContact CD2-CG 4.28Å; Y586-W593 HydrophobicContact CD2-CZ2 4.27Å; Y586-W593 AromaticContact CD2-NE1 3.56Å; Y586-W593 HydrophobicContact CG-CD2 4.38Å; Y586-W593 AromaticContact CG-CE2 4Å; Y586-W593 HydrophobicContact CG-CH2 4.49Å; Y586-W593 HydrophobicContact CG-CZ2 4.09Å
587	N	98.1	Very high	97.7	Very high	31 Å²	31	54.9 Å²	54.9	17%	0.166	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.4	172.2	-172	-62.3	0	0	0	109.9	E567 I589 K590 D591 Q592	E567-N587 PolarHBondContact OE1-ND2 2.95Å; N587-I589 VanDerWaalsContact C-N 3.25Å; N587-I589 PolarHBondContact O-N 3.39Å; N587-I589 WeakPolarHBondContact OD1-CB 3.44Å; N587-I589 PolarHBondContact OD1-N 2.85Å; N587-I589 VanDerWaalsContact OD1-N 3.08Å; N587-K590 HydrophobicContact CB-CB 4.36Å; N587-K590 PolarHBondContact O-N 2.8Å; N587-K590 PolarHBondContact OD1-N 2.73Å; N587-K590 VanDerWaalsContact OD1-N 3.14Å; N587-D591 WeakPolarHBondContact O-CA 3.49Å; N587-D591 PolarHBondContact O-N 3.14Å; N587-Q592 PolarHBondContact N-O 2.94Å; N587-Q592 PolarHBondContact O-N 2.83Å
588	P	97.4	Very high	97.7	Very high	34 Å²	34	55 Å²	55	22%	0.221	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.8	-176	-17.7	28.3	0	0	0	115	L517 N566 Y586	L517-P588 HydrophobicContact CD2-CG 3.46Å; L517-P588 VanDerWaalsContact CD2-CG 3.46Å; N566-P588 WeakPolarHBondContact O-CD 3.39Å; Y586-P588 HydrophobicContact CD1-CB 4.48Å; Y586-P588 HydrophobicContact CD1-CG 4Å; Y586-P588 HydrophobicContact CE1-CB 3.83Å; Y586-P588 HydrophobicContact CE1-CG 3.82Å; Y586-P588 WeakPolarHBondContact O-CD 3.42Å
589	I	97.4	Very high	97.7	Very high	158 Å²	158	49.9 Å²	49.9	81%	0.81	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-38.9	178.8	-60.7	174	0	0	0	109.9	N587	N587-I589 VanDerWaalsContact C-N 3.25Å; N587-I589 PolarHBondContact O-N 3.39Å; N587-I589 WeakPolarHBondContact OD1-CB 3.44Å; N587-I589 PolarHBondContact OD1-N 2.85Å; N587-I589 VanDerWaalsContact OD1-N 3.08Å
590	K	97.9	Very high	97.5	Very high	140 Å²	140	54.6 Å²	54.6	61%	0.609	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-14.3	-179.6	-63.4	179.7	-178.8	175.7	0	113.5	N587 Q592	N587-K590 HydrophobicContact CB-CB 4.36Å; N587-K590 PolarHBondContact O-N 2.8Å; N587-K590 PolarHBondContact OD1-N 2.73Å; N587-K590 VanDerWaalsContact OD1-N 3.14Å; K590-Q592 VanDerWaalsContact C-N 3.35Å; K590-Q592 HydrophobicContact CB-CB 4.23Å; K590-Q592 HydrophobicContact CB-CG 4.37Å; K590-Q592 WeakPolarHBondContact O-CG 3.46Å
591	D	98.2	Very high	97.3	Very high	74 Å²	74	55.9 Å²	55.9	40%	0.396	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	53	-170.3	-169.4	27.5	0	0	0	111.5	A550 Y586 N587	A550-D591 WeakPolarHBondContact CB-O 3.25Å; A550-D591 WeakPolarHBondContact CB-OD1 3.33Å; A550-D591 PolarHBondContact N-OD1 3.39Å; Y586-D591 VanDerWaalsContact CE2-OD1 3.28Å; Y586-D591 WeakPolarHBondContact CE2-OD1 3.29Å; Y586-D591 PolarHBondContact OH-OD1 2.89Å; N587-D591 WeakPolarHBondContact O-CA 3.49Å; N587-D591 PolarHBondContact O-N 3.14Å
592	Q	98.5	Very high	97.3	Very high	114 Å²	114	55.5 Å²	55.5	53%	0.533	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145.3	-173.7	-76	173.8	7.6	0	0	111.8	Y586 N587 K590	Y586-Q592 WeakPolarHBondContact CA-O 3.5Å; N587-Q592 PolarHBondContact N-O 2.94Å; N587-Q592 PolarHBondContact O-N 2.83Å; K590-Q592 VanDerWaalsContact C-N 3.35Å; K590-Q592 HydrophobicContact CB-CB 4.23Å; K590-Q592 HydrophobicContact CB-CG 4.37Å; K590-Q592 WeakPolarHBondContact O-CG 3.46Å
593	W	98.7	Very high	97.3	Very high	20 Å²	20	55.2 Å²	55.2	8%	0.076	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.5	171.9	-68.7	88.1	0	0	0	111.1	I524 M536 A550 M552 L553 V570 E584 V585 Y586	I524-W593 HydrophobicContact CG2-CH2 4.03Å; I524-W593 HydrophobicContact CG2-CZ2 4.17Å; M536-W593 HydrophobicContact CE-CZ2 3.85Å; M536-W593 HydrophobicContact SD-CH2 4.46Å; M536-W593 HydrophobicContact SD-CZ2 3.73Å; A550-W593 PolarHBondContact O-NE1 3.28Å; M552-W593 HydrophobicContact CB-CD2 4.47Å; M552-W593 HydrophobicContact CG-CD2 3.92Å; M552-W593 HydrophobicContact CG-CE3 4.11Å; M552-W593 HydrophobicContact CG-CH2 3.74Å; M552-W593 HydrophobicContact CG-CZ2 3.5Å; M552-W593 VanDerWaalsContact CG-CZ2 3.5Å; M552-W593 HydrophobicContact CG-CZ3 4.05Å; M552-W593 HydrophobicContact SD-CH2 4.28Å; M552-W593 HydrophobicContact SD-CZ2 4.49Å; L553-W593 HydrophobicContact CG-CB 4.21Å; V570-W593 HydrophobicContact CB-CZ3 4.4Å; V570-W593 HydrophobicContact CG1-CH2 3.79Å; V570-W593 HydrophobicContact CG1-CZ3 3.92Å; V570-W593 HydrophobicContact CG2-CE3 4.4Å; V570-W593 HydrophobicContact CG2-CH2 4.23Å; V570-W593 HydrophobicContact CG2-CZ3 3.64Å; E584-W593 HydrophobicContact CB-CE3 3.72Å; E584-W593 HydrophobicContact CB-CZ3 4.19Å; V585-W593 CarbonylContact O-C 3.59Å; V585-W593 WeakPolarHBondContact O-CA 3.44Å; Y586-W593 AromaticContact CD2-CD1 3.89Å; Y586-W593 HydrophobicContact CD2-CD2 4.18Å; Y586-W593 AromaticContact CD2-CE2 3.78Å; Y586-W593 HydrophobicContact CD2-CG 4.28Å; Y586-W593 HydrophobicContact CD2-CZ2 4.27Å; Y586-W593 AromaticContact CD2-NE1 3.56Å; Y586-W593 HydrophobicContact CG-CD2 4.38Å; Y586-W593 AromaticContact CG-CE2 4Å; Y586-W593 HydrophobicContact CG-CH2 4.49Å; Y586-W593 HydrophobicContact CG-CZ2 4.09Å
594	T	98	Very high	97.3	Very high	58 Å²	58	55.8 Å²	55.8	36%	0.356	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.5	175.8	52.5	0	0	0	0	110.1	E584 V585 R596	E584-T594 CarbonylContact C-O 3.57Å; E584-T594 WeakPolarHBondContact CA-O 3.35Å; V585-T594 PolarHBondContact N-O 3.08Å; V585-T594 PolarHBondContact O-N 2.81Å; V585-T594 PolarHBondContact O-OG1 2.84Å; T594-R596 PolarHBondContact OG1-NH1 3.18Å; T594-R596 PolarHBondContact OG1-NH2 3.18Å
595	E	97.2	Very high	97.2	Very high	85 Å²	85	56.6 Å²	56.6	40%	0.397	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	156.4	175.5	-61.7	-167.7	124	0	0	112.2	L553 H554 V583 E584 F598	L553-E595 HydrophobicContact CD1-CG 3.53Å; H554-E595 IonicContact CE1-OE1 3.95Å; H554-E595 PolarHBondContact CE1-OE1 3.28Å; H554-E595 IonicContact ND1-OE1 3.23Å; V583-E595 WeakPolarHBondContact O-CA 3.25Å; E584-E595 HydrophobicContact CG-CG 4.43Å; E595-F598 HydrophobicContact CB-CE1 4.41Å
596	R	95.3	Very high	97.2	Very high	79 Å²	79	56.9 Å²	56.9	30%	0.298	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	-179.3	172.5	-68.3	-66	-175.5	-72.6	-10.7	110	W569 V583 V585 T594 F598	W569-R596 HydrophobicContact CH2-CG 3.81Å; W569-R596 HydrophobicContact CZ3-CB 4.02Å; W569-R596 HydrophobicContact CZ3-CG 3.69Å; V583-R596 HydrophobicContact CB-CB 4.43Å; V583-R596 HydrophobicContact CG1-CB 4.25Å; V583-R596 PolarHBondContact O-N 2.86Å; V585-R596 HydrophobicContact CB-CG 4.5Å; V585-R596 HydrophobicContact CG2-CB 4.45Å; V585-R596 HydrophobicContact CG2-CG 3.47Å; V585-R596 VanDerWaalsContact CG2-CG 3.47Å; T594-R596 PolarHBondContact OG1-NH1 3.18Å; T594-R596 PolarHBondContact OG1-NH2 3.18Å; R596-F598 WeakPolarHBondContact O-CD1 3.4Å; R596-F598 PolarHBondContact O-N 2.84Å
597	T	96.1	Very high	97.1	Very high	56 Å²	56	57 Å²	57	34%	0.344	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-54.7	125	177	-67	0	0	0	0	111.6	D352 W354	D352-T597 WeakPolarHBondContact OD1-CB 3.28Å; D352-T597 PolarHBondContact OD1-OG1 3.45Å; D352-T597 PolarHBondContact OD2-OG1 2.94Å; W354-T597 PolarHBondContact NE1-O 2.78Å
598	F	97	Very high	97.1	Very high	94 Å²	94	56.1 Å²	56.1	41%	0.412	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-69	158.7	-177.2	-68.7	6.4	0	0	0	111	W354 A581 E595 R596	W354-F598 PolarHBondContact NE1-O 2.78Å; A581-F598 HydrophobicContact CB-CB 4.34Å; E595-F598 HydrophobicContact CB-CE1 4.41Å; R596-F598 WeakPolarHBondContact O-CD1 3.4Å; R596-F598 PolarHBondContact O-N 2.84Å
599	M	96.8	Very high	97.2	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.039	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.1	159.7	167.1	-61.7	178.9	-63.2	0	0	110.1	W354 F571 A581 V583 C601 K603	W354-M599 HydrophobicContact CH2-CG 3.84Å; W354-M599 HydrophobicContact CH2-SD 4.43Å; W354-M599 HydrophobicContact CZ2-CG 3.58Å; F571-M599 HydrophobicContact CB-CE 4.41Å; F571-M599 HydrophobicContact CB-SD 4.19Å; A581-M599 PolarHBondContact O-N 2.9Å; V583-M599 HydrophobicContact CG2-CG 4.2Å; M599-C601 PolarHBondContact O-N 3.01Å; M599-C601 VanDerWaalsContact O-N 3.13Å; M599-K603 HydrophobicContact CE-CG 4.07Å; M599-K603 WeakPolarHBondContact SD-CE 3.15Å
600	D	93.1	Very high	97.1	Very high	142 Å²	142	48.6 Å²	48.6	76%	0.759	25%	0.253	S	S	*	.	S	Bend	trans	-60.1	-25.8	179.8	-69.8	-14.4	0	0	0	113.4
601	C	95	Very high	96.9	Very high	48 Å²	48	42.1 Å²	42.1	32%	0.324	23%	0.225	S	C	.	.	S	Bend	trans	-148.5	160.7	176.5	68.5	0	0	0	0	112.5	L337 M599	L337-C601 HydrophobicContact CD2-CB 4.12Å; M599-C601 PolarHBondContact O-N 3.01Å; M599-C601 VanDerWaalsContact O-N 3.13Å
602	G	96.6	Very high	96.4	Very high	14 Å²	14	40.5 Å²	40.5	14%	0.144	21%	0.213	C	C	.	.			trans	-72.1	136	171.9	0	0	0	0	0	111.7	L337 F579 L580	L337-G602 WeakPolarHBondContact CD1-O 3.46Å; L337-G602 WeakPolarHBondContact CD2-O 3.36Å; F579-G602 WeakPolarHBondContact O-CA 3.24Å; L580-G602 VanDerWaalsContact C-CA 3.43Å; L580-G602 VanDerWaalsContact O-CA 3.3Å; L580-G602 WeakPolarHBondContact O-CA 3.21Å
603	K	97.9	Very high	95.8	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	20%	0.196	C	C	.	.			trans	-159.1	152.4	177.6	58.4	-174.6	176.5	-172.5	0	112.7	S332 Y336 L341 E345 G573 L580 M599 H606	S332-K603 PolarHBondContact OG-NZ 2.95Å; Y336-K603 WeakPolarHBondContact O-CA 3.15Å; L341-K603 HydrophobicContact CD1-CB 4.17Å; L341-K603 HydrophobicContact CD1-CD 4.08Å; E345-K603 IonicContact OE1-NZ 2.65Å; E345-K603 PolarHBondContact OE1-NZ 2.96Å; G573-K603 PolarHBondContact N-O 2.82Å; L580-K603 PolarHBondContact O-N 3.22Å; L580-K603 VanDerWaalsContact O-N 3.16Å; M599-K603 HydrophobicContact CE-CG 4.07Å; M599-K603 WeakPolarHBondContact SD-CE 3.15Å; K603-H606 HydrophobicContact CD-CB 4.21Å
604	S	97.8	Very high	94.7	Very high	13 Å²	13	35.5 Å²	35.5	9%	0.091	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-123.3	160.1	174.1	69	0	0	0	0	111.8	G335 Y336 F579 H606	G335-S604 CarbonylContact C-O 3.55Å; G335-S604 WeakPolarHBondContact CA-O 3.43Å; Y336-S604 PolarHBondContact N-O 2.91Å; Y336-S604 PolarHBondContact O-N 2.59Å; Y336-S604 VanDerWaalsContact O-N 3.1Å; F579-S604 VanDerWaalsContact CE1-OG 3.3Å; F579-S604 WeakPolarHBondContact CE1-OG 3.47Å; S604-H606 PolarHBondContact O-N 2.7Å; S604-H606 VanDerWaalsContact O-N 3.09Å
605	G	97.3	Very high	93.2	Very high	16 Å²	16	36.6 Å²	36.6	17%	0.165	21%	0.206	C	C	.	.	S	Bend	trans	60.2	23.2	177.6	0	0	0	0	0	114.1	S365 G366 L367 A558	S365-G605 CarbonylContact C-O 3.53Å; S365-G605 WeakPolarHBondContact CA-O 3.47Å; G366-G605 PolarHBondContact N-O 3.17Å; L367-G605 WeakPolarHBondContact CD2-O 3.49Å; A558-G605 PolarHBondContact O-N 3.46Å
606	H	98	Very high	91.4	Very high	7 Å²	7	41.3 Å²	41.3	3%	0.032	23%	0.226	C	C	.	.			trans	-77.2	171.7	162.9	62.1	-70.2	0	0	0	108.2	A333 G334 S560 F571 K603 S604	A333-H606 WeakPolarHBondContact O-CA 3.46Å; A333-H606 WeakPolarHBondContact O-CB 3.42Å; G334-H606 WeakPolarHBondContact O-CB 3.27Å; S560-H606 VanDerWaalsContact OG-C 3.32Å; S560-H606 PolarHBondContact OG-CD2 2.73Å; S560-H606 PolarHBondContact OG-CE1 3.15Å; S560-H606 PolarHBondContact OG-NE2 3.42Å; S560-H606 PolarHBondContact OG-O 3.3Å; F571-H606 WeakPolarHBondContact CB-NE2 3.26Å; F571-H606 PolarHBondContact O-CE1 2.65Å; K603-H606 HydrophobicContact CD-CB 4.21Å; S604-H606 PolarHBondContact O-N 2.7Å; S604-H606 VanDerWaalsContact O-N 3.09Å
607	A	97.9	Very high	91.2	Very high	6 Å²	6	39.5 Å²	39.5	5%	0.05	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.9	172.1	0	0	0	0	0	110.1	S332 A333 L367 A369	S332-A607 CarbonylContact C-O 3.52Å; S332-A607 WeakPolarHBondContact CA-O 3.39Å; A333-A607 PolarHBondContact N-O 2.93Å; A333-A607 PolarHBondContact O-N 2.76Å; L367-A607 HydrophobicContact CD2-CB 4.33Å; L367-A607 HydrophobicContact CG-CB 3.99Å; A369-A607 HydrophobicContact CB-CB 3.5Å; A369-A607 VanDerWaalsContact CB-CB 3.5Å
608	V	98.1	Very high	90.9	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.073	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.8	172.8	177.8	0	0	0	0	110.6	L330 Y331 S560 F571	L330-V608 HydrophobicContact CB-CG1 4.37Å; L330-V608 HydrophobicContact CD2-CG1 3.71Å; Y331-V608 CarbonylContact O-C 3.6Å; Y331-V608 WeakPolarHBondContact O-CA 3.4Å; S560-V608 VanDerWaalsContact CB-CG2 3.44Å; F571-V608 HydrophobicContact CB-CG2 4.08Å; F571-V608 HydrophobicContact CD1-CG2 4.5Å; F571-V608 HydrophobicContact CD2-CB 4.09Å; F571-V608 HydrophobicContact CD2-CG1 3.92Å; F571-V608 HydrophobicContact CD2-CG2 3.85Å; F571-V608 HydrophobicContact CE2-CB 4.39Å; F571-V608 HydrophobicContact CE2-CG1 3.72Å; F571-V608 HydrophobicContact CE2-CG2 4.46Å; F571-V608 HydrophobicContact CG-CG2 3.9Å; F571-V608 HydrophobicContact CZ-CG1 4.22Å
609	V	97.9	Very high	90.6	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143.7	177.7	65.7	0	0	0	0	111.5	Y331 A369 V376	Y331-V609 PolarHBondContact N-O 3.23Å; Y331-V609 PolarHBondContact O-N 2.78Å; A369-V609 HydrophobicContact CB-CB 3.95Å; A369-V609 HydrophobicContact CB-CG1 3.79Å; V376-V609 HydrophobicContact CG1-CG1 3.76Å; V376-V609 HydrophobicContact CG2-CG1 4.12Å
610	V	95.6	Very high	90.2	Very high	21 Å²	21	37.1 Å²	37.1	13%	0.127	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.4	168.2	177.4	0	0	0	0	110.1	E328 I329 L330 S371 V563 W564	E328-V610 HydrophobicContact CB-CG1 3.7Å; E328-V610 HydrophobicContact CG-CG1 4.12Å; I329-V610 WeakPolarHBondContact O-CA 3.29Å; L330-V610 HydrophobicContact CD2-CG2 3.44Å; L330-V610 VanDerWaalsContact CD2-CG2 3.44Å; L330-V610 HydrophobicContact CG-CG2 3.94Å; S371-V610 VanDerWaalsContact CB-O 3.3Å; S371-V610 WeakPolarHBondContact CB-O 3.47Å; V563-V610 VanDerWaalsContact O-CG2 3.28Å; V563-V610 WeakPolarHBondContact O-CG2 3.46Å; W564-V610 HydrophobicContact CB-CG2 4.02Å
611	S	94	Very high	90	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	179.4	172.5	-161.9	0	0	0	0	110.4	E328 I329 S371 G374 G613	E328-S611 WeakPolarHBondContact CA-O 3.45Å; I329-S611 PolarHBondContact N-O 3Å; I329-S611 PolarHBondContact O-N 3.45Å; S371-S611 PolarHBondContact OG-OG 2.86Å; G374-S611 PolarHBondContact O-OG 2.8Å; S611-G613 PolarHBondContact O-N 2.9Å
612	R	88.4	Confident	89.7	Confident	41 Å²	41	29.4 Å²	29.4	16%	0.155	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	135.9	172.1	-67.6	-172.8	171.6	156.1	0.4	110.1	N241 V242 Y331 R401	N241-R612 PolarHBondContact OD1-NH1 3.02Å; V242-R612 VanDerWaalsContact O-CZ 3.29Å; V242-R612 PolarHBondContact O-NH1 3.18Å; V242-R612 PolarHBondContact O-NH2 2.84Å; Y331-R612 WeakPolarHBondContact CE2-O 3.32Å; Y331-R612 PolarHBondContact OH-O 2.8Å; R401-R612 VanDerWaalsContact NH2-NH1 3.17Å
613	G	84.7	Confident	89.2	Confident	16 Å²	16	30.5 Å²	30.5	17%	0.165	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-59.8	152.2	169.2	0	0	0	0	0	112.1	M327 S611	M327-G613 PolarHBondContact O-N 3.15Å; S611-G613 PolarHBondContact O-N 2.9Å
614	P	75.7	Confident	88.5	Confident	12 Å²	12	32.8 Å²	32.8	8%	0.078	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-68.1	147.9	176.8	33.8	-35.1	0	0	0	110	Y331 P400 F616	Y331-P614 VanDerWaalsContact OH-CD 3.27Å; Y331-P614 WeakPolarHBondContact OH-CD 3.41Å; P400-P614 HydrophobicContact CB-CB 4.16Å; P400-P614 VanDerWaalsContact O-CA 3.27Å; P400-P614 WeakPolarHBondContact O-CA 3.09Å; P400-P614 WeakPolarHBondContact O-CB 3.08Å; P614-F616 HydrophobicContact CB-CE1 4.17Å; P614-F616 HydrophobicContact CB-CZ 4.3Å; P614-F616 HydrophobicContact CG-CD1 4.11Å; P614-F616 HydrophobicContact CG-CD2 4.24Å; P614-F616 HydrophobicContact CG-CE1 3.38Å; P614-F616 HydrophobicContact CG-CE2 3.57Å; P614-F616 HydrophobicContact CG-CZ 3.1Å; P614-F616 PolarHBondContact O-N 3.05Å; P614-F616 VanDerWaalsContact O-N 3.17Å
615	S	66.5	Low	87.8	Confident	82 Å²	82	34.4 Å²	34.4	57%	0.573	19%	0.194	S	C	*	.			trans	-72.6	106.5	168	48.8	0	0	0	0	107.8	P400 R401	P400-S615 PolarHBondContact O-N 3.36Å; R401-S615 PolarHBondContact O-OG 3.19Å
616	F	59.3	Low	86.9	Confident	184 Å²	184	36.1 Å²	36.1	81%	0.807	20%	0.196	S	C	*	.			trans	-87.2	0	171.9	-61.7	-59.2	0	0	0	111.3	R355 P614	R355-F616 VanDerWaalsContact CD-CZ 3.48Å; P614-F616 HydrophobicContact CB-CE1 4.17Å; P614-F616 HydrophobicContact CB-CZ 4.3Å; P614-F616 HydrophobicContact CG-CD1 4.11Å; P614-F616 HydrophobicContact CG-CD2 4.24Å; P614-F616 HydrophobicContact CG-CE1 3.38Å; P614-F616 HydrophobicContact CG-CE2 3.57Å; P614-F616 HydrophobicContact CG-CZ 3.1Å; P614-F616 PolarHBondContact O-N 3.05Å; P614-F616 VanDerWaalsContact O-N 3.17Å

Retrieved 616 of 616 residues in 160.5 ms (Link to these results)

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