A0A060VD92_HUMAN Loading...

ABO glycosyltransferase

AlphaFold DB , UniProt , Accession A0A060VD92, Species HUMAN (Homo sapiens, Human), Gene ABO, Length 365 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	K	50	Low	55.2	Low	245 Å²	245	147.7 Å²	147.7	100%	1.065	76%	0.759	S	S	*	*				0	122.6	0	-74	177.6	178.7	172.9	0	105.9
2	P	45.1	Very low	56.6	Low	135 Å²	135	144.8 Å²	144.8	88%	0.877	75%	0.745	S	S	*	*				-120.6	167.8	63.2	28.9	-13.3	0	0	0	114.5
3	K	45.2	Very low	58	Low	179 Å²	179	144.9 Å²	144.9	78%	0.778	74%	0.737	S	S	*	*			trans	-91.3	132.5	-173.6	-66.2	168.7	169.3	177.1	0	109
4	C	40.4	Very low	59.1	Low	129 Å²	129	142.1 Å²	142.1	87%	0.872	72%	0.724	S	S	*	*			trans	-114	75	167.6	-153.2	0	0	0	0	108.7
5	H	55.5	Low	60.1	Low	183 Å²	183	138.7 Å²	138.7	85%	0.847	71%	0.707	S	S	*	*			trans	-114.6	89	171.4	-76.5	-64	0	0	0	108.3
6	A	55.4	Low	61	Low	74 Å²	74	137.3 Å²	137.3	61%	0.612	70%	0.698	S	S	*	*	S	Bend	trans	-159.4	-10.8	167.9	0	0	0	0	0	114.7
7	L	55.8	Low	61.7	Low	138 Å²	138	134.6 Å²	134.6	72%	0.723	69%	0.686	S	S	*	*	H	α-helix	trans	-86.1	-26.5	-171.5	-137.5	78.9	0	0	0	114.7	I11	L7-I11 WeakPolarHBondContact O-CG1 3.32Å
8	R	55.9	Low	62.4	Low	218 Å²	218	131.2 Å²	131.2	82%	0.823	67%	0.672	S	S	*	*	H	α-helix	trans	-72.6	-39.5	-175.3	-117	179	-179.1	-178	-0.1	115.2
9	P	63.4	Low	62.9	Low	90 Å²	90	130.2 Å²	130.2	58%	0.584	67%	0.668	S	S	*	*	H	α-helix	trans	-70.2	-33.9	-179.6	-17.8	30.8	0	0	0	113.2	L12 F13	P9-L12 PolarHBondContact O-N 3.43Å; P9-F13 PolarHBondContact O-N 3.06Å
10	M	67.8	Low	63.3	Low	137 Å²	137	127.6 Å²	127.6	68%	0.675	66%	0.658	S	S	*	*	H	α-helix	trans	-68.5	-37.7	-178.3	-110	-121.1	165.4	0	0	112.7	F13 L14	M10-F13 PolarHBondContact O-N 3.49Å; M10-L14 PolarHBondContact O-N 3.45Å
11	I	72.3	Confident	63.3	Low	97 Å²	97	127 Å²	127	50%	0.497	66%	0.656	S	S	.	*	H	α-helix	trans	-66.7	-42	177.1	-62.9	171.6	0	0	0	110.5	L7 F13 L14 I15	L7-I11 WeakPolarHBondContact O-CG1 3.32Å; I11-F13 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 3.29Å; I11-L14 PolarHBondContact O-N 3.35Å; I11-I15 HydrophobicContact CG2-CD1 3.92Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.07Å; I11-I15 VanDerWaalsContact O-N 3.08Å
12	L	71.9	Confident	63.5	Low	113 Å²	113	122.7 Å²	122.7	59%	0.592	64%	0.637	S	S	*	*	H	α-helix	trans	-63.2	-38.2	176	-82.3	158.4	0	0	0	112.1	P9 I15 M16	P9-L12 PolarHBondContact O-N 3.43Å; L12-I15 PolarHBondContact O-N 3.08Å; L12-M16 WeakPolarHBondContact O-CG 3.37Å; L12-M16 PolarHBondContact O-N 3.35Å; L12-M16 VanDerWaalsContact O-N 3.14Å
13	F	75.4	Confident	63.8	Low	146 Å²	146	118.1 Å²	118.1	64%	0.64	61%	0.614	S	S	*	*	H	α-helix	trans	-66.5	-41.4	176.5	-168.2	-98.3	0	0	0	112.4	P9 M10 I11 M16 L17	P9-F13 PolarHBondContact O-N 3.06Å; M10-F13 PolarHBondContact O-N 3.49Å; I11-F13 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 3.29Å; F13-M16 PolarHBondContact O-N 3.06Å; F13-L17 PolarHBondContact O-N 3.39Å
14	L	73.1	Confident	63.9	Low	106 Å²	106	118.5 Å²	118.5	56%	0.555	61%	0.612	S	S	*	*	H	α-helix	trans	-64	-41.2	176.2	-112.5	97.1	0	0	0	112.4	M10 I11 M16 L17 V18	M10-L14 PolarHBondContact O-N 3.45Å; I11-L14 PolarHBondContact O-N 3.35Å; L14-M16 VanDerWaalsContact C-N 3.34Å; L14-M16 PolarHBondContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 3.49Å; L14-V18 WeakPolarHBondContact O-CG2 3.4Å; L14-V18 PolarHBondContact O-N 3.05Å
15	I	74.3	Confident	64.1	Low	91 Å²	91	115.5 Å²	115.5	47%	0.467	60%	0.604	S	S	.	*	H	α-helix	trans	-63.5	-42.2	178.6	-67.8	166.6	0	0	0	110.6	I11 L12 V18 L19	I11-I15 HydrophobicContact CG2-CD1 3.92Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 3.07Å; I11-I15 VanDerWaalsContact O-N 3.08Å; L12-I15 PolarHBondContact O-N 3.08Å; I15-V18 PolarHBondContact O-N 3.01Å; I15-L19 HydrophobicContact CG2-CD1 4.09Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.35Å
16	M	73.7	Confident	63.7	Low	115 Å²	115	112.6 Å²	112.6	57%	0.567	60%	0.598	S	S	*	*	H	α-helix	trans	-64.9	-38.8	176.5	-71.7	-62.9	-66.5	0	0	112.3	L12 F13 L14 L19 V20	L12-M16 WeakPolarHBondContact O-CG 3.37Å; L12-M16 PolarHBondContact O-N 3.35Å; L12-M16 VanDerWaalsContact O-N 3.14Å; F13-M16 PolarHBondContact O-N 3.06Å; L14-M16 VanDerWaalsContact C-N 3.34Å; L14-M16 PolarHBondContact O-N 3.14Å; M16-L19 PolarHBondContact O-N 3.4Å; M16-V20 WeakPolarHBondContact O-CG2 3.33Å; M16-V20 PolarHBondContact O-N 3.06Å
17	L	74.1	Confident	63	Low	92 Å²	92	115.9 Å²	115.9	48%	0.482	61%	0.605	S	S	.	*	H	α-helix	trans	-64.5	-41.1	177.2	-168.3	73.3	0	0	0	111.9	F13 L14 V20 L21	F13-L17 PolarHBondContact O-N 3.39Å; L14-L17 PolarHBondContact O-N 3.49Å; L17-V20 PolarHBondContact O-N 2.92Å; L17-L21 HydrophobicContact CG-CD1 4.11Å; L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 WeakPolarHBondContact O-CG 3.48Å; L17-L21 PolarHBondContact O-N 3.41Å
18	V	73.1	Confident	62.1	Low	74 Å²	74	114.5 Å²	114.5	45%	0.448	61%	0.607	S	S	.	*	H	α-helix	trans	-64.5	-41.7	176	173.3	0	0	0	0	111.1	L14 I15 V20 L21 F22	L14-V18 WeakPolarHBondContact O-CG2 3.4Å; L14-V18 PolarHBondContact O-N 3.05Å; I15-V18 PolarHBondContact O-N 3.01Å; V18-V20 PolarHBondContact O-N 3.5Å; V18-L21 PolarHBondContact O-N 2.98Å; V18-F22 HydrophobicContact CG1-CD2 3.89Å; V18-F22 HydrophobicContact CG1-CE2 4.25Å; V18-F22 WeakPolarHBondContact O-CB 3.32Å; V18-F22 WeakPolarHBondContact O-CD2 3.45Å; V18-F22 PolarHBondContact O-N 3.4Å
19	L	73.6	Confident	61.3	Low	111 Å²	111	109.7 Å²	109.7	58%	0.581	60%	0.604	S	S	*	*	H	α-helix	trans	-66.3	-36.2	177.8	-71.3	170.5	0	0	0	112.8	I15 M16 G23	I15-L19 HydrophobicContact CG2-CD1 4.09Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.35Å; M16-L19 PolarHBondContact O-N 3.4Å; L19-G23 PolarHBondContact O-N 3.42Å
20	V	70.4	Confident	59.7	Low	79 Å²	79	117.2 Å²	117.2	48%	0.479	62%	0.621	S	S	.	*	H	α-helix	trans	-70.7	-41.8	175.7	173.1	0	0	0	0	111.2	M16 L17 V18 G23 Y24	M16-V20 WeakPolarHBondContact O-CG2 3.33Å; M16-V20 PolarHBondContact O-N 3.06Å; L17-V20 PolarHBondContact O-N 2.92Å; V18-V20 PolarHBondContact O-N 3.5Å; V20-G23 PolarHBondContact O-N 2.88Å; V20-Y24 HydrophobicContact CG1-CD2 4.16Å; V20-Y24 HydrophobicContact CG1-CE2 4.43Å; V20-Y24 WeakPolarHBondContact O-CD2 3.49Å; V20-Y24 PolarHBondContact O-N 3.39Å; V20-Y24 VanDerWaalsContact O-N 3.1Å
21	L	62	Low	58	Low	116 Å²	116	116.3 Å²	116.3	61%	0.607	63%	0.628	S	S	*	*	H	α-helix	trans	-66.5	-39.9	177.4	-73	167.8	0	0	0	112.3	L17 V18 G25	L17-L21 HydrophobicContact CG-CD1 4.11Å; L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 WeakPolarHBondContact O-CG 3.48Å; L17-L21 PolarHBondContact O-N 3.41Å; V18-L21 PolarHBondContact O-N 2.98Å; L21-G25 PolarHBondContact O-N 3.1Å
22	F	55.6	Low	56	Low	153 Å²	153	119.2 Å²	119.2	67%	0.671	64%	0.643	S	S	*	*	H	α-helix	trans	-75.1	-32	175.3	-91	-91.2	0	0	0	113	V18 G25	V18-F22 HydrophobicContact CG1-CD2 3.89Å; V18-F22 HydrophobicContact CG1-CE2 4.25Å; V18-F22 WeakPolarHBondContact O-CB 3.32Å; V18-F22 WeakPolarHBondContact O-CD2 3.45Å; V18-F22 PolarHBondContact O-N 3.4Å; F22-G25 PolarHBondContact O-N 3.41Å
23	G	50.5	Low	53.9	Low	39 Å²	39	121.7 Å²	121.7	40%	0.402	65%	0.654	S	S	.	*	H	α-helix	trans	-67.6	-33.1	175.9	0	0	0	0	0	113.7	L19 V20	L19-G23 PolarHBondContact O-N 3.42Å; V20-G23 PolarHBondContact O-N 2.88Å
24	Y	48.6	Very low	52.1	Low	187 Å²	187	120.7 Å²	120.7	73%	0.733	66%	0.662	S	S	*	*	H	α-helix	trans	-78.9	-23.8	175.8	-95.5	-89.6	0	0	0	113.8	V20 V26	V20-Y24 HydrophobicContact CG1-CD2 4.16Å; V20-Y24 HydrophobicContact CG1-CE2 4.43Å; V20-Y24 WeakPolarHBondContact O-CD2 3.49Å; V20-Y24 PolarHBondContact O-N 3.39Å; V20-Y24 VanDerWaalsContact O-N 3.1Å; Y24-V26 VanDerWaalsContact C-N 3.35Å
25	G	44.3	Very low	49.9	Very low	67 Å²	67	119.3 Å²	119.3	69%	0.691	67%	0.673	S	S	*	*	H	α-helix	trans	-76.4	-16.7	178.4	0	0	0	0	0	115	L21 F22	L21-G25 PolarHBondContact O-N 3.1Å; F22-G25 PolarHBondContact O-N 3.41Å
26	V	47.4	Very low	47.7	Very low	121 Å²	121	120.2 Å²	120.2	73%	0.733	69%	0.688	S	S	*	*	S	Bend	trans	-104.6	-7.5	-174.9	-179.8	0	0	0	0	112.7	Y24	Y24-V26 VanDerWaalsContact C-N 3.35Å
27	L	40.8	Very low	45.6	Very low	144 Å²	144	121.8 Å²	121.8	75%	0.754	70%	0.698	S	S	*	*			trans	-125.9	72.2	179.1	-79.6	158.3	0	0	0	111.2
28	S	36.3	Very low	43.5	Very low	109 Å²	109	123.9 Å²	123.9	76%	0.762	71%	0.705	S	S	*	*			trans	-138.7	103.6	160.5	-89.4	0	0	0	0	110.6
29	P	38.9	Very low	41.4	Very low	117 Å²	117	131.2 Å²	131.2	76%	0.76	72%	0.724	S	S	*	*			trans	-95.8	99	170.4	32.4	-23.4	0	0	0	109.1
30	R	30.5	Very low	39.2	Very low	248 Å²	248	129.3 Å²	129.3	94%	0.936	73%	0.732	S	S	*	*			trans	-179.2	104	160.5	-104.2	159.3	-170.1	-164.3	3.8	111.5
31	S	30.4	Very low	37.3	Very low	118 Å²	118	136 Å²	136	83%	0.825	76%	0.755	S	S	*	*				169.4	104.5	117.6	55.8	0	0	0	0	110.4
32	L	30.3	Very low	35.6	Very low	157 Å²	157	136.3 Å²	136.3	82%	0.822	77%	0.765	S	S	*	*			trans	-59.2	134.5	151.9	-89	78.2	0	0	0	108.7
33	M	29	Very low	34.2	Very low	165 Å²	165	137.6 Å²	137.6	81%	0.813	78%	0.775	S	S	*	*				-175.5	145.9	116.2	-89.1	-51.6	153.5	0	0	110.1
34	P	36.9	Very low	33.1	Very low	126 Å²	126	140.8 Å²	140.8	82%	0.818	80%	0.798	S	S	*	*			trans	-92	132.1	-176.6	34.8	-28.5	0	0	0	111.6
35	G	27.2	Very low	32.3	Very low	76 Å²	76	138 Å²	138	78%	0.784	80%	0.801	S	S	*	*			trans	-138.3	120.9	175.1	0	0	0	0	0	110.6
36	S	28.1	Very low	31.7	Very low	111 Å²	111	145.8 Å²	145.8	78%	0.776	81%	0.809	S	S	*	*			trans	-59.5	139.3	178.2	51.2	0	0	0	0	114.8
37	L	28.9	Very low	31	Very low	148 Å²	148	148.2 Å²	148.2	78%	0.775	81%	0.812	S	S	*	*				-174.9	127.5	118.5	-138.4	75.6	0	0	0	112.8
38	E	30.5	Very low	31.2	Very low	135 Å²	135	147 Å²	147	63%	0.631	81%	0.813	S	S	*	*			trans	63	108.9	142.8	-78.2	-176.1	160.2	0	0	124.7
39	R	28.9	Very low	31.5	Very low	228 Å²	228	148.3 Å²	148.3	86%	0.86	81%	0.811	S	S	*	*				67.1	93.4	108.1	-150.2	-178.1	-66.2	-166.9	6.4	116.8
40	G	26.9	Very low	31.9	Very low	71 Å²	71	151.5 Å²	151.5	73%	0.732	82%	0.816	S	S	*	*			trans	-143.5	127.9	160	0	0	0	0	0	110.4	C42	G40-C42 PolarHBondContact O-N 3.42Å
41	F	30.4	Very low	33	Very low	219 Å²	219	144.7 Å²	144.7	96%	0.961	80%	0.797	S	S	*	*			trans	-43.8	124.1	176.3	-103.7	-113.1	0	0	0	112.8
42	C	27.1	Very low	34.3	Very low	123 Å²	123	146.3 Å²	146.3	83%	0.831	79%	0.792	S	S	*	*			trans	-133.9	122.6	159.8	-93.3	0	0	0	0	109	G40 A44	G40-C42 PolarHBondContact O-N 3.42Å; C42-A44 PolarHBondContact O-N 3.31Å
43	M	27.2	Very low	36.1	Very low	180 Å²	180	151.2 Å²	151.2	89%	0.887	80%	0.8	S	S	*	*			trans	-50.1	135.7	166.6	-64.3	-170.3	-159.9	0	0	108.9	V45	M43-V45 PolarHBondContact O-N 2.77Å
44	A	27.4	Very low	38.6	Very low	106 Å²	106	146.5 Å²	146.5	88%	0.876	78%	0.78	S	S	*	*			trans	-64.8	86.4	175.1	0	0	0	0	0	109.9	C42 R46	C42-A44 PolarHBondContact O-N 3.31Å; A44-R46 PolarHBondContact O-N 3.44Å
45	V	31.9	Very low	41.2	Very low	130 Å²	130	145.5 Å²	145.5	79%	0.788	78%	0.776	S	S	*	*			trans	-70.5	111.3	155	178.3	0	0	0	0	105.1	M43 E47	M43-V45 PolarHBondContact O-N 2.77Å; V45-E47 PolarHBondContact O-N 3.35Å; V45-E47 VanDerWaalsContact O-N 3.12Å
46	R	31.5	Very low	44.4	Very low	230 Å²	230	145 Å²	145	87%	0.868	76%	0.755	S	S	*	*			trans	-58.3	113.4	169.2	-94.4	178.3	171.6	169.5	-3.3	108	A44	A44-R46 PolarHBondContact O-N 3.44Å
47	E	32.3	Very low	47.6	Very low	172 Å²	172	142.8 Å²	142.8	80%	0.804	74%	0.738	S	S	*	*			trans	-63	131.3	164.1	-75.5	-169.7	152.6	0	0	109.3	V45 D49	V45-E47 PolarHBondContact O-N 3.35Å; V45-E47 VanDerWaalsContact O-N 3.12Å; E47-D49 PolarHBondContact O-N 2.75Å
48	P	43.6	Very low	50.9	Low	119 Å²	119	146.9 Å²	146.9	77%	0.773	74%	0.743	S	S	*	*	S	Bend	trans	-92.4	77.9	176.6	35.4	-28.4	0	0	0	109.1
49	D	44.2	Very low	54.1	Low	135 Å²	135	143 Å²	143	72%	0.722	73%	0.726	S	S	*	*			trans	-163.2	79.3	162.1	-97.7	-26.4	0	0	0	110.3	E47 L51	E47-D49 PolarHBondContact O-N 2.75Å; D49-L51 PolarHBondContact O-N 3.06Å; D49-L51 VanDerWaalsContact O-N 3.11Å
50	H	46.6	Very low	57.4	Low	185 Å²	185	138.3 Å²	138.3	86%	0.856	72%	0.722	S	S	*	*			trans	-78.9	36.6	167.1	-73	-62.8	0	0	0	112	Q52	H50-Q52 PolarHBondContact O-N 3.2Å; H50-Q52 VanDerWaalsContact O-N 3.1Å
51	L	54.4	Low	60.8	Low	104 Å²	104	140.1 Å²	140.1	55%	0.545	71%	0.708	S	S	.	*			trans	-72.5	105.5	170.5	-88	158.3	0	0	0	108.2	D49 R53 Q102	D49-L51 PolarHBondContact O-N 3.06Å; D49-L51 VanDerWaalsContact O-N 3.11Å; L51-R53 PolarHBondContact O-N 3.09Å; L51-R53 VanDerWaalsContact O-N 3.12Å; L51-Q102 HydrophobicContact CD2-CG 4.28Å; L51-Q102 VanDerWaalsContact CD2-OE1 3.25Å
52	Q	57.4	Low	64	Low	153 Å²	153	135.1 Å²	135.1	72%	0.715	70%	0.697	S	S	*	*			trans	-56.4	121.5	173.8	-159.8	171.6	10.1	0	0	108	H50 V54	H50-Q52 PolarHBondContact O-N 3.2Å; H50-Q52 VanDerWaalsContact O-N 3.1Å; Q52-V54 HydrophobicContact CB-CG2 3.96Å; Q52-V54 HydrophobicContact CG-CG2 3.88Å; Q52-V54 WeakPolarHBondContact O-CG2 3.43Å; Q52-V54 PolarHBondContact O-N 3.49Å
53	R	68.1	Low	67.4	Low	259 Å²	259	137.3 Å²	137.3	98%	0.977	70%	0.695	S	S	*	*			trans	-74.8	80.6	-178.1	-158.8	-179.2	-157.7	-179.7	6.9	109.1	L51	L51-R53 PolarHBondContact O-N 3.09Å; L51-R53 VanDerWaalsContact O-N 3.12Å
54	V	81.8	Confident	70.7	Confident	66 Å²	66	133.4 Å²	133.4	40%	0.4	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-98.5	131	-179.9	-162.2	0	0	0	0	109.7	Q52 L101	Q52-V54 HydrophobicContact CB-CG2 3.96Å; Q52-V54 HydrophobicContact CG-CG2 3.88Å; Q52-V54 WeakPolarHBondContact O-CG2 3.43Å; Q52-V54 PolarHBondContact O-N 3.49Å; V54-L101 HydrophobicContact CB-CB 4.19Å; V54-L101 HydrophobicContact CB-CD1 4.28Å; V54-L101 HydrophobicContact CG1-CB 4.15Å; V54-L101 HydrophobicContact CG1-CD1 3.89Å; V54-L101 HydrophobicContact CG1-CD2 3.87Å; V54-L101 HydrophobicContact CG1-CG 4.17Å
55	S	90.3	Very high	74.1	Confident	106 Å²	106	135.8 Å²	135.8	74%	0.741	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-79.1	136.7	173.7	-175.8	0	0	0	0	109.8
56	L	95.5	Very high	77.2	Confident	64 Å²	64	136.3 Å²	136.3	34%	0.335	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-61.2	143.4	168.2	-70.2	171.1	0	0	0	109.9	E97 Q98 L101	L56-E97 HydrophobicContact CD2-CB 3.68Å; L56-Q98 HydrophobicContact CD1-CG 4.21Å; L56-Q98 HydrophobicContact CD2-CG 3.9Å; L56-L101 HydrophobicContact CD2-CD1 3.89Å
57	P	95.6	Very high	80.4	Confident	65 Å²	65	133.5 Å²	133.5	42%	0.422	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-66.4	167.1	172.6	29.7	-34.8	0	0	0	110.6	M59 E97	P57-M59 HydrophobicContact CG-CG 4.44Å; P57-M59 WeakPolarHBondContact O-CG 3.34Å; P57-M59 PolarHBondContact O-N 3.03Å; P57-E97 HydrophobicContact CG-CG 4.39Å
58	R	97.1	Very high	83.5	Confident	235 Å²	235	129.1 Å²	129.1	89%	0.887	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-59.8	125.1	168	174.2	-178.8	169.4	131	-1.5	108.8
59	M	97.9	Very high	86.1	Confident	53 Å²	53	126.9 Å²	126.9	26%	0.261	65%	0.649	S	S	.	*			trans	-125.1	146.6	175.6	-59.5	176.9	80.8	0	0	109.7	P57 Y61 D93 I94 E97	P57-M59 HydrophobicContact CG-CG 4.44Å; P57-M59 WeakPolarHBondContact O-CG 3.34Å; P57-M59 PolarHBondContact O-N 3.03Å; M59-Y61 HydrophobicContact CB-CD1 3.68Å; M59-Y61 HydrophobicContact CB-CE1 3.7Å; M59-Y61 HydrophobicContact SD-CE1 4.48Å; M59-D93 HydrophobicContact CE-CB 3.85Å; M59-I94 HydrophobicContact CE-CG1 4.13Å; M59-I94 HydrophobicContact SD-CG1 4.29Å; M59-E97 HydrophobicContact CE-CG 3.86Å; M59-E97 HydrophobicContact SD-CB 4.46Å; M59-E97 HydrophobicContact SD-CG 4.02Å
60	V	97.9	Very high	88.7	Confident	130 Å²	130	123.6 Å²	123.6	79%	0.788	64%	0.636	S	S	*	*			trans	-116.1	114.6	174	-179.2	0	0	0	0	107.3
61	Y	97.7	Very high	91.2	Very high	108 Å²	108	115.2 Å²	115.2	42%	0.424	60%	0.597	S	S	.	*			trans	-146.2	161.2	-179.1	50	-104.9	0	0	0	110.2	M59 Q63 I94	M59-Y61 HydrophobicContact CB-CD1 3.68Å; M59-Y61 HydrophobicContact CB-CE1 3.7Å; M59-Y61 HydrophobicContact SD-CE1 4.48Å; Y61-Q63 PolarHBondContact O-N 3.46Å; Y61-I94 HydrophobicContact CD1-CD1 3.98Å; Y61-I94 HydrophobicContact CD1-CG1 4.11Å; Y61-I94 HydrophobicContact CD2-CD1 4.24Å; Y61-I94 HydrophobicContact CE1-CD1 3.69Å; Y61-I94 HydrophobicContact CE1-CG1 3.99Å; Y61-I94 HydrophobicContact CE2-CD1 3.98Å; Y61-I94 HydrophobicContact CG-CD1 4.25Å
62	P	98.1	Very high	93.3	Very high	115 Å²	115	118.8 Å²	118.8	75%	0.747	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-56.5	131.6	176.9	-26	35.5	0	0	0	112.3
63	Q	98.2	Very high	95.2	Very high	168 Å²	168	115.5 Å²	115.5	79%	0.785	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-61	131.2	178.5	-173	-178.3	11.6	0	0	110.6	Y61 K65	Y61-Q63 PolarHBondContact O-N 3.46Å; Q63-K65 PolarHBondContact O-N 3.33Å
64	P	97.9	Very high	96.7	Very high	99 Å²	99	104.7 Å²	104.7	64%	0.643	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-57.6	126.6	171.3	-24.2	34.1	0	0	0	111.1	V66	P64-V66 PolarHBondContact O-N 3.02Å
65	K	98.1	Very high	97.5	Very high	156 Å²	156	106.1 Å²	106.1	68%	0.678	56%	0.563	S	S	*	*			trans	-91.5	96.4	-178.5	-66	-176.3	-178.5	-178.5	0	110.3	Q63 L67 T68	Q63-K65 PolarHBondContact O-N 3.33Å; K65-L67 VanDerWaalsContact C-N 3.28Å; K65-L67 PolarHBondContact O-N 3.43Å; K65-T68 PolarHBondContact O-N 2.94Å
66	V	97.6	Very high	97.9	Very high	141 Å²	141	103.1 Å²	103.1	86%	0.855	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-41.5	-175	179.3	0	0	0	0	113.3	P64 T68	P64-V66 PolarHBondContact O-N 3.02Å; V66-T68 VanDerWaalsContact C-N 3.31Å; V66-T68 PolarHBondContact O-N 3.12Å
67	L	98.2	Very high	98.1	Very high	171 Å²	171	103.2 Å²	103.2	90%	0.895	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	13	-178.8	-57.6	-179.7	0	0	0	113.5	K65	K65-L67 VanDerWaalsContact C-N 3.28Å; K65-L67 PolarHBondContact O-N 3.43Å
68	T	98.1	Very high	98.2	Very high	79 Å²	79	100.3 Å²	100.3	49%	0.485	52%	0.524	S	S	.	.	S	Bend	trans	-127.1	113.7	177.9	-56.2	0	0	0	0	109.6	K65 V66	K65-T68 PolarHBondContact O-N 2.94Å; V66-T68 VanDerWaalsContact C-N 3.31Å; V66-T68 PolarHBondContact O-N 3.12Å
69	P	98.1	Very high	98.3	Very high	72 Å²	72	94.6 Å²	94.6	47%	0.468	52%	0.517	S	S	.	.			trans	-66.2	141.4	177.9	29.4	-36.2	0	0	0	110.7	R71 K72	P69-R71 VanDerWaalsContact C-N 3.32Å; P69-K72 HydrophobicContact CB-CG 4.34Å; P69-K72 HydrophobicContact CG-CD 4.12Å; P69-K72 HydrophobicContact CG-CG 3.49Å; P69-K72 VanDerWaalsContact CG-CG 3.49Å
70	C	98.1	Very high	98.3	Very high	66 Å²	66	95.1 Å²	95.1	45%	0.446	52%	0.516	S	S	.	.	S	Bend	trans	-67.6	-32.7	177.8	56.7	0	0	0	0	112.8	G88	C70-G88 WeakPolarHBondContact CB-O 3.44Å
71	R	98.5	Very high	98.4	Very high	10 Å²	10	95.9 Å²	95.9	4%	0.038	52%	0.516	C	S	.	.			trans	-137.1	140.1	172.5	-65	-67.4	-67.2	-92.9	-3.9	109	P69 D73 V74 V76 E87 T89 E312 V325 R327	P69-R71 VanDerWaalsContact C-N 3.32Å; R71-D73 IonicContact CZ-OD1 3.48Å; R71-D73 IonicContact CZ-OD2 2.82Å; R71-D73 IonicContact NE-OD1 3.71Å; R71-D73 PolarHBondContact NE-OD1 3.41Å; R71-D73 IonicContact NE-OD2 3.59Å; R71-D73 PolarHBondContact NE-OD2 3.05Å; R71-D73 IonicContact NH2-OD1 2.63Å; R71-D73 IonicContact NH2-OD2 3.89Å; R71-D73 PolarHBondContact NH2-OD2 2.97Å; R71-V74 HydrophobicContact CB-CG2 3.71Å; R71-V74 HydrophobicContact CG-CG2 4.04Å; R71-V76 HydrophobicContact CB-CG1 3.76Å; R71-V76 HydrophobicContact CG-CG1 4.11Å; R71-E87 WeakPolarHBondContact CD-O 3.37Å; R71-E87 PolarHBondContact NH1-O 3.36Å; R71-T89 HydrophobicContact CG-CG2 4.1Å; R71-E312 IonicContact NH1-OE1 3.28Å; R71-V325 PolarHBondContact NH2-O 2.96Å; R71-R327 VanDerWaalsContact CD-CZ 3.48Å
72	K	98.5	Very high	98.4	Very high	178 Å²	178	91 Å²	91	77%	0.774	50%	0.497	S	S	*	.	S	Bend	trans	-111.6	-8.4	179.4	-69.6	-175.3	179.4	-177.1	0	113.1	P69	P69-K72 HydrophobicContact CB-CG 4.34Å; P69-K72 HydrophobicContact CG-CD 4.12Å; P69-K72 HydrophobicContact CG-CG 3.49Å; P69-K72 VanDerWaalsContact CG-CG 3.49Å
73	D	98.5	Very high	98.5	Very high	84 Å²	84	88.4 Å²	88.4	45%	0.449	48%	0.481	S	S	.	.	S	Bend	trans	-110.5	-8.7	-165.7	55.5	-46.5	0	0	0	112.9	R71	R71-D73 IonicContact CZ-OD1 3.48Å; R71-D73 IonicContact CZ-OD2 2.82Å; R71-D73 IonicContact NE-OD1 3.71Å; R71-D73 PolarHBondContact NE-OD1 3.41Å; R71-D73 IonicContact NE-OD2 3.59Å; R71-D73 PolarHBondContact NE-OD2 3.05Å; R71-D73 IonicContact NH2-OD1 2.63Å; R71-D73 IonicContact NH2-OD2 3.89Å; R71-D73 PolarHBondContact NH2-OD2 2.97Å
74	V	98.7	Very high	98.5	Very high	32 Å²	32	80.5 Å²	80.5	19%	0.194	44%	0.444	C	S	.	.	S	Bend	trans	-143.4	157.6	-177.1	-66.2	0	0	0	0	111.6	R71 V76 W86 V325	R71-V74 HydrophobicContact CB-CG2 3.71Å; R71-V74 HydrophobicContact CG-CG2 4.04Å; V74-V76 HydrophobicContact CG2-CG1 4.11Å; V74-W86 HydrophobicContact CB-CD2 4.33Å; V74-W86 HydrophobicContact CB-CZ2 4.13Å; V74-W86 HydrophobicContact CG1-CD2 4.32Å; V74-W86 HydrophobicContact CG1-CE3 4.37Å; V74-W86 HydrophobicContact CG1-CH2 3.97Å; V74-W86 HydrophobicContact CG1-CZ2 3.92Å; V74-W86 HydrophobicContact CG1-CZ3 4.17Å; V74-W86 HydrophobicContact CG2-CD2 3.97Å; V74-W86 HydrophobicContact CG2-CG 3.97Å; V74-V325 HydrophobicContact CG1-CG2 3.23Å
75	L	98.8	Very high	98.6	Very high	96 Å²	96	76 Å²	76	50%	0.503	42%	0.415	S	S	.	.			trans	-72.8	127.8	165.8	-174.1	66.4	0	0	0	109.5	V77 I84 W86 F253	L75-V77 WeakPolarHBondContact CD1-O 3.38Å; L75-V77 VanDerWaalsContact CG-O 3.26Å; L75-V77 WeakPolarHBondContact CG-O 3.5Å; L75-I84 HydrophobicContact CB-CD1 4.11Å; L75-I84 HydrophobicContact CD2-CD1 3.75Å; L75-I84 HydrophobicContact CG-CD1 3.79Å; L75-W86 PolarHBondContact O-NE1 3.1Å; L75-W86 VanDerWaalsContact O-NE1 3.09Å; L75-F253 HydrophobicContact CD2-CZ 4.23Å
76	V	98.8	Very high	98.6	Very high	44 Å²	44	69 Å²	69	27%	0.267	38%	0.384	S	S	.	.			trans	-111.3	-5.5	-178	-61.7	0	0	0	0	113.9	R71 V74 I84 T89	R71-V76 HydrophobicContact CB-CG1 3.76Å; R71-V76 HydrophobicContact CG-CG1 4.11Å; V74-V76 HydrophobicContact CG2-CG1 4.11Å; V76-I84 PolarHBondContact O-N 3.49Å; V76-T89 HydrophobicContact CB-CG2 4.18Å; V76-T89 HydrophobicContact CG1-CG2 3.75Å
77	V	98.8	Very high	98.7	Very high	65 Å²	65	64.8 Å²	64.8	39%	0.394	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-147.1	135.9	176.9	63.7	0	0	0	0	109.1	L75 A82	L75-V77 WeakPolarHBondContact CD1-O 3.38Å; L75-V77 VanDerWaalsContact CG-O 3.26Å; L75-V77 WeakPolarHBondContact CG-O 3.5Å; V77-A82 CarbonylContact C-O 3.6Å; V77-A82 WeakPolarHBondContact CA-O 3.42Å
78	T	98.9	Very high	98.7	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.025	33%	0.329	C	S	.	.			trans	-75.7	165.2	178.5	70.4	0	0	0	0	111.2	W80 L81 A82 I84 F253 V308	T78-W80 HydrophobicContact CG2-CD2 4.47Å; T78-W80 HydrophobicContact CG2-CH2 4.01Å; T78-W80 HydrophobicContact CG2-CZ2 3.64Å; T78-W80 PolarHBondContact O-N 3Å; T78-W80 VanDerWaalsContact O-N 3.14Å; T78-W80 PolarHBondContact OG1-N 3.4Å; T78-W80 PolarHBondContact OG1-NE1 3.46Å; T78-L81 PolarHBondContact O-N 3.09Å; T78-A82 HydrophobicContact CG2-CB 4.14Å; T78-A82 WeakPolarHBondContact CG2-O 3.14Å; T78-A82 PolarHBondContact N-O 3.15Å; T78-A82 WeakPolarHBondContact OG1-CB 3.33Å; T78-A82 PolarHBondContact OG1-N 3.39Å; T78-A82 PolarHBondContact OG1-O 3.1Å; T78-I84 HydrophobicContact CG2-CD1 4.01Å; T78-I84 HydrophobicContact CG2-CG1 3.76Å; T78-F253 HydrophobicContact CG2-CE2 3.83Å; T78-F253 HydrophobicContact CG2-CZ 4.3Å; T78-V308 HydrophobicContact CG2-CG2 3.88Å
79	P	98.8	Very high	98.7	Very high	115 Å²	115	56.8 Å²	56.8	75%	0.747	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.8	173.6	-26.3	36.5	0	0	0	114.9
80	W	98.8	Very high	98.7	Very high	64 Å²	64	55.7 Å²	55.7	24%	0.242	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	20.6	174.2	62.7	86.9	0	0	0	113.1	T78 A82 D252 F253 K304 P305 V308	T78-W80 HydrophobicContact CG2-CD2 4.47Å; T78-W80 HydrophobicContact CG2-CH2 4.01Å; T78-W80 HydrophobicContact CG2-CZ2 3.64Å; T78-W80 PolarHBondContact O-N 3Å; T78-W80 VanDerWaalsContact O-N 3.14Å; T78-W80 PolarHBondContact OG1-N 3.4Å; T78-W80 PolarHBondContact OG1-NE1 3.46Å; W80-A82 VanDerWaalsContact C-N 3.3Å; W80-A82 VanDerWaalsContact NE1-CB 3.26Å; W80-A82 PolarHBondContact O-N 3.25Å; W80-D252 HydrophobicContact CH2-CB 3.71Å; W80-D252 HydrophobicContact CZ3-CB 3.67Å; W80-D252 VanDerWaalsContact CZ3-CG 3.47Å; W80-D252 WeakPolarHBondContact CZ3-OD1 3.48Å; W80-F253 AromaticContact CH2-CD2 3.91Å; W80-F253 HydrophobicContact CH2-CD2 3.91Å; W80-F253 AromaticContact CH2-CE2 3.64Å; W80-F253 HydrophobicContact CH2-CE2 3.64Å; W80-F253 HydrophobicContact CZ2-CE2 4.34Å; W80-F253 HydrophobicContact CZ3-CE2 4.34Å; W80-K304 HydrophobicContact CD2-CB 4.02Å; W80-K304 HydrophobicContact CD2-CD 4.2Å; W80-K304 HydrophobicContact CD2-CG 4.1Å; W80-K304 HydrophobicContact CE3-CD 4.18Å; W80-K304 HydrophobicContact CE3-CG 4.48Å; W80-K304 HydrophobicContact CG-CB 3.96Å; W80-K304 HydrophobicContact CG-CG 4.18Å; W80-K304 HydrophobicContact CH2-CD 4.49Å; W80-K304 HydrophobicContact CZ3-CD 4.33Å; W80-P305 HydrophobicContact CZ2-CG 4.08Å; W80-P305 PolarHBondContact NE1-O 3.16Å; W80-V308 HydrophobicContact CZ2-CG2 4.22Å
81	L	98.8	Very high	98.8	Very high	147 Å²	147	55 Å²	55	77%	0.77	30%	0.3	S	S	*	.	S	Bend	trans	66.7	20.3	173.9	-50.6	178.7	0	0	0	115.6	T78	T78-L81 PolarHBondContact O-N 3.09Å
82	A	98.8	Very high	98.8	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.041	31%	0.309	C	S	.	.			trans	-82.4	132.8	169.3	0	0	0	0	0	110.5	V77 T78 W80 P305 T306	V77-A82 CarbonylContact C-O 3.6Å; V77-A82 WeakPolarHBondContact CA-O 3.42Å; T78-A82 HydrophobicContact CG2-CB 4.14Å; T78-A82 WeakPolarHBondContact CG2-O 3.14Å; T78-A82 PolarHBondContact N-O 3.15Å; T78-A82 WeakPolarHBondContact OG1-CB 3.33Å; T78-A82 PolarHBondContact OG1-N 3.39Å; T78-A82 PolarHBondContact OG1-O 3.1Å; W80-A82 VanDerWaalsContact C-N 3.3Å; W80-A82 VanDerWaalsContact NE1-CB 3.26Å; W80-A82 PolarHBondContact O-N 3.25Å; A82-P305 VanDerWaalsContact CB-O 3.24Å; A82-P305 WeakPolarHBondContact CB-O 3.48Å; A82-T306 WeakPolarHBondContact CB-O 3.4Å
83	P	98.9	Very high	98.8	Very high	61 Å²	61	52.8 Å²	52.8	40%	0.396	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-60.5	138.8	172.5	-22.9	33.3	0	0	0	111.8	T306 K307 V308	P83-T306 WeakPolarHBondContact CD-O 3.41Å; P83-K307 HydrophobicContact CB-CG 4.47Å; P83-K307 HydrophobicContact CG-CG 4.39Å; P83-K307 WeakPolarHBondContact O-CA 3.37Å; P83-V308 PolarHBondContact O-N 2.8Å
84	I	98.9	Very high	98.8	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.4	163.5	-47.8	-175	0	0	0	107.2	L75 V76 T78 W86 L222 F253 V308	L75-I84 HydrophobicContact CB-CD1 4.11Å; L75-I84 HydrophobicContact CD2-CD1 3.75Å; L75-I84 HydrophobicContact CG-CD1 3.79Å; V76-I84 PolarHBondContact O-N 3.49Å; T78-I84 HydrophobicContact CG2-CD1 4.01Å; T78-I84 HydrophobicContact CG2-CG1 3.76Å; I84-W86 VanDerWaalsContact CG2-NE1 3.27Å; I84-W86 VanDerWaalsContact O-CD1 3.26Å; I84-W86 PolarHBondContact O-N 2.89Å; I84-L222 HydrophobicContact CG2-CD1 4.3Å; I84-F253 HydrophobicContact CD1-CE1 4.45Å; I84-F253 HydrophobicContact CD1-CZ 3.86Å; I84-V308 CarbonylContact C-O 3.51Å; I84-V308 WeakPolarHBondContact CA-O 3.42Å; I84-V308 HydrophobicContact CG1-CB 4.29Å; I84-V308 HydrophobicContact CG2-CB 4.38Å; I84-V308 HydrophobicContact CG2-CG1 4.32Å
85	V	98.9	Very high	98.8	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	107	-169.2	-172.2	0	0	0	0	110	F90 E213 K307 V308 L309 S310 Y313	V85-F90 HydrophobicContact CG1-CD1 4.05Å; V85-F90 HydrophobicContact CG1-CE1 4.02Å; V85-E213 HydrophobicContact CG1-CB 4.36Å; V85-E213 HydrophobicContact CG1-CG 3.78Å; V85-K307 HydrophobicContact CG2-CB 4.4Å; V85-K307 HydrophobicContact CG2-CD 4.13Å; V85-V308 PolarHBondContact N-O 2.89Å; V85-L309 HydrophobicContact CB-CD2 3.93Å; V85-L309 HydrophobicContact CG2-CD2 3.76Å; V85-S310 WeakPolarHBondContact O-CB 3.29Å; V85-S310 PolarHBondContact O-N 3.48Å; V85-S310 VanDerWaalsContact O-N 3.15Å; V85-S310 PolarHBondContact O-OG 3.24Å; V85-Y313 HydrophobicContact CB-CE2 4.19Å; V85-Y313 HydrophobicContact CG1-CE2 3.79Å; V85-Y313 WeakPolarHBondContact CG1-OH 3.21Å; V85-Y313 WeakPolarHBondContact O-CE2 3.24Å
86	W	98.9	Very high	98.8	Very high	8 Å²	8	47.2 Å²	47.2	3%	0.03	27%	0.266	C	S	.	.			trans	-123.3	154.7	173.7	-64.4	92.3	0	0	0	110.7	V74 L75 I84 G88 T89 P311 E312 V325 L326	V74-W86 HydrophobicContact CB-CD2 4.33Å; V74-W86 HydrophobicContact CB-CZ2 4.13Å; V74-W86 HydrophobicContact CG1-CD2 4.32Å; V74-W86 HydrophobicContact CG1-CE3 4.37Å; V74-W86 HydrophobicContact CG1-CH2 3.97Å; V74-W86 HydrophobicContact CG1-CZ2 3.92Å; V74-W86 HydrophobicContact CG1-CZ3 4.17Å; V74-W86 HydrophobicContact CG2-CD2 3.97Å; V74-W86 HydrophobicContact CG2-CG 3.97Å; L75-W86 PolarHBondContact O-NE1 3.1Å; L75-W86 VanDerWaalsContact O-NE1 3.09Å; I84-W86 VanDerWaalsContact CG2-NE1 3.27Å; I84-W86 VanDerWaalsContact O-CD1 3.26Å; I84-W86 PolarHBondContact O-N 2.89Å; W86-G88 PolarHBondContact O-N 3.42Å; W86-T89 HydrophobicContact CB-CG2 3.86Å; W86-T89 PolarHBondContact N-OG1 2.72Å; W86-T89 WeakPolarHBondContact O-CB 3.48Å; W86-T89 WeakPolarHBondContact O-CG2 3.48Å; W86-T89 PolarHBondContact O-N 3.35Å; W86-T89 PolarHBondContact O-OG1 2.9Å; W86-P311 VanDerWaalsContact CH2-CD 3.46Å; W86-P311 HydrophobicContact CH2-CG 4.35Å; W86-E312 HydrophobicContact CE3-CG 4.15Å; W86-E312 HydrophobicContact CZ3-CG 4.45Å; W86-V325 HydrophobicContact CH2-CG2 4.44Å; W86-V325 HydrophobicContact CZ3-CG2 4.25Å; W86-L326 HydrophobicContact CZ3-CD2 3.81Å
87	E	98.9	Very high	98.7	Very high	53 Å²	53	47.1 Å²	47.1	25%	0.248	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	132.6	170.6	-175.1	55	-152.6	0	0	111	R71 E312 R327 K328 R330	R71-E87 WeakPolarHBondContact CD-O 3.37Å; R71-E87 PolarHBondContact NH1-O 3.36Å; E87-E312 WeakPolarHBondContact CB-OE1 3.29Å; E87-E312 WeakPolarHBondContact CB-OE2 3.13Å; E87-E312 PolarHBondContact N-OE1 2.82Å; E87-E312 PolarHBondContact N-OE2 2.98Å; E87-R327 HydrophobicContact CB-CB 3.9Å; E87-R327 HydrophobicContact CG-CB 3.96Å; E87-K328 HydrophobicContact CB-CD 4.42Å; E87-K328 VanDerWaalsContact CD-CE 3.45Å; E87-K328 HydrophobicContact CG-CD 3.97Å; E87-K328 HydrophobicContact CG-CG 4.25Å; E87-K328 VanDerWaalsContact OE2-CD 3.3Å; E87-K328 WeakPolarHBondContact OE2-CD 3.45Å; E87-K328 WeakPolarHBondContact OE2-CE 3.4Å; E87-R330 IonicContact OE2-CZ 2.9Å; E87-R330 IonicContact OE2-NH1 3.81Å; E87-R330 IonicContact OE2-NH2 2.73Å; E87-R330 PolarHBondContact OE2-NH2 3.15Å
88	G	98.4	Very high	98.6	Very high	34 Å²	34	47.6 Å²	47.6	35%	0.351	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-2.5	-175.3	0	0	0	0	0	115.3	C70 W86	C70-G88 WeakPolarHBondContact CB-O 3.44Å; W86-G88 PolarHBondContact O-N 3.42Å
89	T	98.8	Very high	98.6	Very high	48 Å²	48	48.4 Å²	48.4	29%	0.294	26%	0.263	S	S	.	.	S	Bend	trans	-90.9	-12.1	178	63	0	0	0	0	114.1	R71 V76 W86	R71-T89 HydrophobicContact CG-CG2 4.1Å; V76-T89 HydrophobicContact CB-CG2 4.18Å; V76-T89 HydrophobicContact CG1-CG2 3.75Å; W86-T89 HydrophobicContact CB-CG2 3.86Å; W86-T89 PolarHBondContact N-OG1 2.72Å; W86-T89 WeakPolarHBondContact O-CB 3.48Å; W86-T89 WeakPolarHBondContact O-CG2 3.48Å; W86-T89 PolarHBondContact O-N 3.35Å; W86-T89 PolarHBondContact O-OG1 2.9Å
90	F	98.8	Very high	98.5	Very high	49 Å²	49	48.7 Å²	48.7	22%	0.215	25%	0.25	C	C	.	.			trans	-133.4	155.4	-176.9	59.1	-88.2	0	0	0	111.6	V85 I92 L95 E213	V85-F90 HydrophobicContact CG1-CD1 4.05Å; V85-F90 HydrophobicContact CG1-CE1 4.02Å; F90-I92 HydrophobicContact CD2-CB 4.18Å; F90-I92 HydrophobicContact CD2-CD1 4.43Å; F90-I92 HydrophobicContact CE2-CB 4.11Å; F90-I92 HydrophobicContact CE2-CD1 4.26Å; F90-L95 HydrophobicContact CB-CD1 3.79Å; F90-L95 HydrophobicContact CD2-CD1 4.16Å; F90-L95 HydrophobicContact CG-CD1 4.26Å; F90-E213 HydrophobicContact CD1-CB 4.13Å; F90-E213 HydrophobicContact CD1-CG 4.14Å; F90-E213 HydrophobicContact CD2-CB 3.9Å; F90-E213 HydrophobicContact CD2-CG 4.27Å; F90-E213 HydrophobicContact CE1-CB 4.32Å; F90-E213 HydrophobicContact CE1-CG 3.85Å; F90-E213 HydrophobicContact CE2-CB 4.09Å; F90-E213 HydrophobicContact CE2-CG 3.97Å; F90-E213 HydrophobicContact CG-CB 3.92Å; F90-E213 HydrophobicContact CG-CG 4.36Å; F90-E213 HydrophobicContact CZ-CB 4.31Å; F90-E213 HydrophobicContact CZ-CG 3.76Å
91	N	98.8	Very high	98.4	Very high	51 Å²	51	48.3 Å²	48.3	27%	0.273	25%	0.252	S	S	.	.			trans	-104.6	112.4	165	179.9	-42.2	0	0	0	107.7	D93 I94 L95	N91-D93 VanDerWaalsContact C-N 3.3Å; N91-D93 PolarHBondContact O-N 3.25Å; N91-D93 WeakPolarHBondContact OD1-CB 3.37Å; N91-D93 PolarHBondContact OD1-N 3.47Å; N91-I94 HydrophobicContact CB-CD1 3.99Å; N91-I94 HydrophobicContact CB-CG1 4.21Å; N91-I94 PolarHBondContact O-N 3.05Å; N91-I94 PolarHBondContact OD1-N 3.36Å; N91-L95 WeakPolarHBondContact O-CG 3.26Å; N91-L95 PolarHBondContact O-N 3.38Å
92	I	98.7	Very high	98.2	Very high	45 Å²	45	45.3 Å²	45.3	23%	0.231	23%	0.234	C	C	.	.	H	α-helix	trans	-68.5	-28.3	-172.9	-166.5	54.1	0	0	0	112.9	F90 L95 N96 H209 V212 E213	F90-I92 HydrophobicContact CD2-CB 4.18Å; F90-I92 HydrophobicContact CD2-CD1 4.43Å; F90-I92 HydrophobicContact CE2-CB 4.11Å; F90-I92 HydrophobicContact CE2-CD1 4.26Å; I92-L95 PolarHBondContact O-N 3.01Å; I92-N96 WeakPolarHBondContact O-CB 3.34Å; I92-N96 PolarHBondContact O-N 2.82Å; I92-N96 PolarHBondContact O-ND2 3.11Å; I92-H209 WeakPolarHBondContact CD1-NE2 3.16Å; I92-V212 HydrophobicContact CD1-CG2 4.24Å; I92-E213 WeakPolarHBondContact CD1-OE2 3.32Å
93	D	98.5	Very high	98.1	Very high	96 Å²	96	50.1 Å²	50.1	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-43.5	179.6	-58	-39.8	0	0	0	110.8	M59 N91 N96 E97	M59-D93 HydrophobicContact CE-CB 3.85Å; N91-D93 VanDerWaalsContact C-N 3.3Å; N91-D93 PolarHBondContact O-N 3.25Å; N91-D93 WeakPolarHBondContact OD1-CB 3.37Å; N91-D93 PolarHBondContact OD1-N 3.47Å; D93-N96 PolarHBondContact O-N 2.81Å; D93-E97 PolarHBondContact O-N 3.14Å
94	I	98.5	Very high	98.1	Very high	36 Å²	36	47.4 Å²	47.4	19%	0.185	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-47.2	177.8	-60.9	177.2	0	0	0	109.9	M59 Y61 N91 E97 Q98	M59-I94 HydrophobicContact CE-CG1 4.13Å; M59-I94 HydrophobicContact SD-CG1 4.29Å; Y61-I94 HydrophobicContact CD1-CD1 3.98Å; Y61-I94 HydrophobicContact CD1-CG1 4.11Å; Y61-I94 HydrophobicContact CD2-CD1 4.24Å; Y61-I94 HydrophobicContact CE1-CD1 3.69Å; Y61-I94 HydrophobicContact CE1-CG1 3.99Å; Y61-I94 HydrophobicContact CE2-CD1 3.98Å; Y61-I94 HydrophobicContact CG-CD1 4.25Å; N91-I94 HydrophobicContact CB-CD1 3.99Å; N91-I94 HydrophobicContact CB-CG1 4.21Å; N91-I94 PolarHBondContact O-N 3.05Å; N91-I94 PolarHBondContact OD1-N 3.36Å; I94-E97 PolarHBondContact O-N 2.83Å; I94-Q98 WeakPolarHBondContact O-CG 3.31Å; I94-Q98 PolarHBondContact O-N 2.77Å
95	L	98.6	Very high	98.1	Very high	30 Å²	30	48 Å²	48	16%	0.157	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-43.1	179.5	-62.9	177.2	0	0	0	111.2	F90 N91 I92 E97 Q98 F99 V212 E213	F90-L95 HydrophobicContact CB-CD1 3.79Å; F90-L95 HydrophobicContact CD2-CD1 4.16Å; F90-L95 HydrophobicContact CG-CD1 4.26Å; N91-L95 WeakPolarHBondContact O-CG 3.26Å; N91-L95 PolarHBondContact O-N 3.38Å; I92-L95 PolarHBondContact O-N 3.01Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 2.95Å; L95-Q98 PolarHBondContact O-N 3.4Å; L95-F99 VanDerWaalsContact O-CD2 3.32Å; L95-F99 WeakPolarHBondContact O-CD2 3.33Å; L95-F99 PolarHBondContact O-N 3Å; L95-V212 HydrophobicContact CB-CG2 3.84Å; L95-E213 HydrophobicContact CD1-CB 3.59Å
96	N	98.6	Very high	98.1	Very high	30 Å²	30	47.7 Å²	47.7	16%	0.16	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-42.4	177	-83.2	-25.6	0	0	0	112	I92 D93 R100 H135 V212	I92-N96 WeakPolarHBondContact O-CB 3.34Å; I92-N96 PolarHBondContact O-N 2.82Å; I92-N96 PolarHBondContact O-ND2 3.11Å; D93-N96 PolarHBondContact O-N 2.81Å; N96-R100 WeakPolarHBondContact O-CB 3.35Å; N96-R100 VanDerWaalsContact O-CG 3.23Å; N96-R100 WeakPolarHBondContact O-CG 3.48Å; N96-R100 PolarHBondContact O-N 2.71Å; N96-R100 PolarHBondContact O-NE 3.29Å; N96-H135 PolarHBondContact OD1-NE2 2.77Å; N96-V212 WeakPolarHBondContact OD1-CG2 2.98Å
97	E	98.1	Very high	98.1	Very high	41 Å²	41	47.3 Å²	47.3	19%	0.192	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-48.7	173.7	-73.1	-62.9	157.5	0	0	111.3	L56 P57 M59 D93 I94 L95 F99 R100 L101	L56-E97 HydrophobicContact CD2-CB 3.68Å; P57-E97 HydrophobicContact CG-CG 4.39Å; M59-E97 HydrophobicContact CE-CG 3.86Å; M59-E97 HydrophobicContact SD-CB 4.46Å; M59-E97 HydrophobicContact SD-CG 4.02Å; D93-E97 PolarHBondContact O-N 3.14Å; I94-E97 PolarHBondContact O-N 2.83Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 2.95Å; E97-F99 VanDerWaalsContact C-N 3.34Å; E97-F99 PolarHBondContact O-N 2.54Å; E97-R100 PolarHBondContact O-N 3.42Å; E97-R100 IonicContact OE1-CZ 3.57Å; E97-R100 IonicContact OE1-NH1 2.73Å; E97-R100 IonicContact OE1-NH2 3.49Å; E97-R100 PolarHBondContact OE1-NH2 2.88Å; E97-R100 IonicContact OE2-NH2 2.86Å; E97-L101 WeakPolarHBondContact O-CB 3.42Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.39Å; E97-L101 PolarHBondContact O-N 3.47Å
98	Q	97.3	Very high	98.1	Very high	76 Å²	76	44.8 Å²	44.8	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-55.4	-45	-179.2	-73.4	176.5	-33.5	0	0	113.4	L56 I94 L95 Q102	L56-Q98 HydrophobicContact CD1-CG 4.21Å; L56-Q98 HydrophobicContact CD2-CG 3.9Å; I94-Q98 WeakPolarHBondContact O-CG 3.31Å; I94-Q98 PolarHBondContact O-N 2.77Å; L95-Q98 PolarHBondContact O-N 3.4Å; Q98-Q102 PolarHBondContact O-NE2 3.01Å
99	F	97.8	Very high	98.1	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.088	21%	0.214	C	C	.	.	H	α-helix	trans	-82.8	-29.5	-178.1	-75.2	-82.7	0	0	0	113.1	L95 E97 Q102 N103 T104 Y196 V212 L215	L95-F99 VanDerWaalsContact O-CD2 3.32Å; L95-F99 WeakPolarHBondContact O-CD2 3.33Å; L95-F99 PolarHBondContact O-N 3Å; E97-F99 VanDerWaalsContact C-N 3.34Å; E97-F99 PolarHBondContact O-N 2.54Å; F99-Q102 PolarHBondContact O-N 3.27Å; F99-N103 PolarHBondContact O-N 2.91Å; F99-T104 HydrophobicContact CD1-CG2 4.1Å; F99-T104 WeakPolarHBondContact CD1-OG1 3.44Å; F99-T104 WeakPolarHBondContact O-CB 3.37Å; F99-T104 PolarHBondContact O-N 2.7Å; F99-T104 PolarHBondContact O-OG1 3.25Å; F99-Y196 HydrophobicContact CE1-CE2 4.06Å; F99-V212 HydrophobicContact CB-CB 4.18Å; F99-V212 HydrophobicContact CB-CG1 3.95Å; F99-V212 HydrophobicContact CB-CG2 4.46Å; F99-V212 HydrophobicContact CD2-CB 3.6Å; F99-V212 HydrophobicContact CD2-CG1 4.3Å; F99-V212 HydrophobicContact CD2-CG2 3.83Å; F99-V212 HydrophobicContact CE2-CB 4.13Å; F99-V212 HydrophobicContact CG-CB 3.92Å; F99-V212 HydrophobicContact CG-CG1 4.13Å; F99-V212 HydrophobicContact CG-CG2 4.42Å; F99-L215 HydrophobicContact CD1-CD1 3.98Å; F99-L215 HydrophobicContact CE1-CB 3.82Å; F99-L215 HydrophobicContact CE1-CD1 4Å; F99-L215 HydrophobicContact CZ-CB 3.81Å
100	R	96.8	Very high	98.1	Very high	122 Å²	122	41 Å²	41	46%	0.46	20%	0.2	S	C	.	.	H	α-helix	trans	-68.3	-39.2	173.1	-80.2	-173.5	-68.4	145.4	-3.5	112.3	N96 E97 Q102 N103	N96-R100 WeakPolarHBondContact O-CB 3.35Å; N96-R100 VanDerWaalsContact O-CG 3.23Å; N96-R100 WeakPolarHBondContact O-CG 3.48Å; N96-R100 PolarHBondContact O-N 2.71Å; N96-R100 PolarHBondContact O-NE 3.29Å; E97-R100 PolarHBondContact O-N 3.42Å; E97-R100 IonicContact OE1-CZ 3.57Å; E97-R100 IonicContact OE1-NH1 2.73Å; E97-R100 IonicContact OE1-NH2 3.49Å; E97-R100 PolarHBondContact OE1-NH2 2.88Å; E97-R100 IonicContact OE2-NH2 2.86Å; R100-Q102 PolarHBondContact O-N 3.32Å; R100-N103 WeakPolarHBondContact O-CA 3.12Å; R100-N103 PolarHBondContact O-N 2.63Å
101	L	96.5	Very high	98.1	Very high	56 Å²	56	38.9 Å²	38.9	29%	0.293	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.1	176.2	-67.7	175.2	0	0	0	112.7	V54 L56 E97 N103	V54-L101 HydrophobicContact CB-CB 4.19Å; V54-L101 HydrophobicContact CB-CD1 4.28Å; V54-L101 HydrophobicContact CG1-CB 4.15Å; V54-L101 HydrophobicContact CG1-CD1 3.89Å; V54-L101 HydrophobicContact CG1-CD2 3.87Å; V54-L101 HydrophobicContact CG1-CG 4.17Å; L56-L101 HydrophobicContact CD2-CD1 3.89Å; E97-L101 WeakPolarHBondContact O-CB 3.42Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.39Å; E97-L101 PolarHBondContact O-N 3.47Å; L101-N103 VanDerWaalsContact C-N 3.34Å
102	Q	95.5	Very high	98	Very high	83 Å²	83	36.5 Å²	36.5	39%	0.388	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.6	173.1	-66.3	173.9	55.7	0	0	113	L51 Q98 F99 R100 T104	L51-Q102 HydrophobicContact CD2-CG 4.28Å; L51-Q102 VanDerWaalsContact CD2-OE1 3.25Å; Q98-Q102 PolarHBondContact O-NE2 3.01Å; F99-Q102 PolarHBondContact O-N 3.27Å; R100-Q102 PolarHBondContact O-N 3.32Å; Q102-T104 PolarHBondContact O-N 3.27Å
103	N	97.1	Very high	97.9	Very high	107 Å²	107	34.6 Å²	34.6	57%	0.572	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	40.7	-175.6	-169.7	41.9	0	0	0	113.1	F99 R100 L101 T105 R136	F99-N103 PolarHBondContact O-N 2.91Å; R100-N103 WeakPolarHBondContact O-CA 3.12Å; R100-N103 PolarHBondContact O-N 2.63Å; L101-N103 VanDerWaalsContact C-N 3.34Å; N103-T105 PolarHBondContact O-N 3Å; N103-R136 VanDerWaalsContact OD1-CD 3.26Å; N103-R136 WeakPolarHBondContact OD1-CD 3.31Å
104	T	98.2	Very high	97.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	15%	0.153	C	C	.	.			trans	-59.4	132	-171.6	-52.5	0	0	0	0	111.8	F99 Q102 I106 D195 Y196 L215	F99-T104 HydrophobicContact CD1-CG2 4.1Å; F99-T104 WeakPolarHBondContact CD1-OG1 3.44Å; F99-T104 WeakPolarHBondContact O-CB 3.37Å; F99-T104 PolarHBondContact O-N 2.7Å; F99-T104 PolarHBondContact O-OG1 3.25Å; Q102-T104 PolarHBondContact O-N 3.27Å; T104-I106 HydrophobicContact CG2-CD1 3.99Å; T104-I106 HydrophobicContact CG2-CG1 4.3Å; T104-D195 WeakPolarHBondContact CA-OD2 3.35Å; T104-D195 HydrophobicContact CG2-CB 4.3Å; T104-Y196 HydrophobicContact CG2-CD2 3.67Å; T104-Y196 HydrophobicContact CG2-CE2 3.87Å; T104-L215 HydrophobicContact CG2-CD1 4.1Å
105	T	98.9	Very high	97.7	Very high	14 Å²	14	33.9 Å²	33.9	9%	0.086	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.3	172.9	-52.8	0	0	0	0	110.4	N103 R136 V194 D195 Y196	N103-T105 PolarHBondContact O-N 3Å; T105-R136 WeakPolarHBondContact CA-O 3.46Å; T105-R136 HydrophobicContact CG2-CB 3.9Å; T105-R136 WeakPolarHBondContact OG1-CD 3.41Å; T105-R136 PolarHBondContact OG1-NE 2.97Å; T105-V194 HydrophobicContact CG2-CB 4.42Å; T105-V194 HydrophobicContact CG2-CG1 3.94Å; T105-D195 PolarHBondContact N-OD2 2.92Å; T105-D195 PolarHBondContact O-N 3.45Å; T105-Y196 PolarHBondContact O-N 3.21Å
106	I	98.9	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.4	-175.7	-54.5	85.2	0	0	0	109.9	T104 F131 M132 H135 R136 V137 H138 V198 L215	T104-I106 HydrophobicContact CG2-CD1 3.99Å; T104-I106 HydrophobicContact CG2-CG1 4.3Å; I106-F131 HydrophobicContact CG2-CE1 4.22Å; I106-F131 HydrophobicContact CG2-CZ 3.84Å; I106-M132 HydrophobicContact CB-CG 4.3Å; I106-M132 HydrophobicContact CD1-CB 4.42Å; I106-M132 HydrophobicContact CD1-CG 4.34Å; I106-M132 HydrophobicContact CD1-SD 4.26Å; I106-M132 HydrophobicContact CG1-CG 4.21Å; I106-M132 HydrophobicContact CG1-SD 4.11Å; I106-M132 HydrophobicContact CG2-CE 4.3Å; I106-M132 HydrophobicContact CG2-CG 4.27Å; I106-H135 HydrophobicContact CD1-CB 3.85Å; I106-R136 WeakPolarHBondContact CD1-O 3.34Å; I106-R136 PolarHBondContact N-O 3.44Å; I106-V137 CarbonylContact O-C 3.57Å; I106-V137 VanDerWaalsContact O-CA 3.31Å; I106-V137 WeakPolarHBondContact O-CA 3.49Å; I106-H138 PolarHBondContact O-N 3.3Å; I106-V198 HydrophobicContact CG2-CG2 3.96Å; I106-L215 HydrophobicContact CD1-CD1 4.24Å; I106-L215 HydrophobicContact CG1-CD1 3.78Å; I106-L215 HydrophobicContact CG1-CD2 4.18Å; I106-L215 HydrophobicContact CG2-CD2 4.33Å
107	G	98.9	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.6	169.4	0	0	0	0	0	111.6	H138 Y196 L197 V198	G107-H138 CarbonylContact C-O 3.57Å; G107-H138 VanDerWaalsContact CA-O 3.28Å; G107-H138 WeakPolarHBondContact CA-O 3.34Å; G107-Y196 PolarHBondContact N-O 3.43Å; G107-L197 CarbonylContact O-C 3.6Å; G107-L197 WeakPolarHBondContact O-CA 3.04Å; G107-V198 PolarHBondContact O-N 2.79Å
108	L	98.9	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.6	171.9	-175.9	64.5	0	0	0	109.6	F123 F131 H138 Y139 Y140 V198 V200 F206	L108-F123 HydrophobicContact CD2-CE1 3.93Å; L108-F123 HydrophobicContact CD2-CZ 3.8Å; L108-F123 HydrophobicContact CG-CZ 4.34Å; L108-F131 HydrophobicContact CB-CE1 3.83Å; L108-F131 HydrophobicContact CB-CZ 4.09Å; L108-F131 HydrophobicContact CD1-CE1 4.33Å; L108-F131 HydrophobicContact CD1-CE2 4.14Å; L108-F131 HydrophobicContact CD1-CZ 3.89Å; L108-F131 HydrophobicContact CD2-CD1 4Å; L108-F131 HydrophobicContact CD2-CE1 4Å; L108-F131 HydrophobicContact CD2-CG 4.32Å; L108-F131 HydrophobicContact CD2-CZ 4.33Å; L108-F131 HydrophobicContact CG-CE1 4.28Å; L108-F131 HydrophobicContact CG-CZ 4.33Å; L108-H138 PolarHBondContact N-O 3.45Å; L108-Y139 HydrophobicContact CB-CD1 4.02Å; L108-Y139 HydrophobicContact CB-CE1 4.47Å; L108-Y139 HydrophobicContact CD2-CD1 3.79Å; L108-Y139 HydrophobicContact CD2-CE1 3.7Å; L108-Y139 HydrophobicContact CG-CD1 4.37Å; L108-Y140 PolarHBondContact O-N 2.9Å; L108-V198 WeakPolarHBondContact CA-O 3.26Å; L108-V198 HydrophobicContact CD1-CB 3.83Å; L108-V198 HydrophobicContact CD1-CG1 3.65Å; L108-V200 HydrophobicContact CD1-CG1 4.38Å; L108-V200 HydrophobicContact CD1-CG2 3.73Å; L108-V200 HydrophobicContact CG-CG2 4.43Å; L108-F206 HydrophobicContact CD2-CZ 4.4Å
109	T	98.9	Very high	97.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.9	178.2	68	0	0	0	0	110.8	Y140 F142 F190 L197 V198 C199 V200	T109-Y140 WeakPolarHBondContact CA-O 3.44Å; T109-Y140 HydrophobicContact CG2-CD2 4.31Å; T109-F142 HydrophobicContact CG2-CE2 4.12Å; T109-F190 HydrophobicContact CG2-CE2 4.15Å; T109-F190 HydrophobicContact CG2-CZ 3.88Å; T109-L197 HydrophobicContact CG2-CD2 3.89Å; T109-V198 PolarHBondContact N-O 3.11Å; T109-C199 WeakPolarHBondContact OG1-CA 3.5Å; T109-C199 WeakPolarHBondContact OG1-CB 3.26Å; T109-C199 PolarHBondContact OG1-SG 3.37Å; T109-V200 PolarHBondContact O-N 2.63Å
110	V	98.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.4	-180	62.9	0	0	0	0	110.2	L120 F123 Y140 V141 F142 E202	V110-L120 HydrophobicContact CG1-CD2 4.31Å; V110-F123 HydrophobicContact CB-CE1 3.98Å; V110-F123 HydrophobicContact CB-CZ 4.01Å; V110-F123 HydrophobicContact CG1-CE1 3.97Å; V110-F123 HydrophobicContact CG1-CZ 4.49Å; V110-F123 HydrophobicContact CG2-CD1 4.31Å; V110-F123 HydrophobicContact CG2-CE1 3.94Å; V110-F123 HydrophobicContact CG2-CE2 4.21Å; V110-F123 HydrophobicContact CG2-CZ 3.88Å; V110-Y140 PolarHBondContact N-O 3.31Å; V110-V141 HydrophobicContact CG1-CB 4.42Å; V110-V141 HydrophobicContact CG1-CG2 3.91Å; V110-F142 PolarHBondContact O-N 3.15Å; V110-E202 HydrophobicContact CG2-CB 3.31Å
111	F	98.4	Very high	97.5	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	97.4	-173	-77.5	-98.3	0	0	0	112.1	I113 F142 R178 M181 I182 E202	F111-I113 PolarHBondContact O-N 2.91Å; F111-F142 CarbonylContact C-O 3.58Å; F111-F142 HydrophobicContact CD1-CB 3.36Å; F111-F142 HydrophobicContact CD1-CD1 4.46Å; F111-F142 HydrophobicContact CD1-CD2 4.44Å; F111-F142 AromaticContact CD1-CG 3.89Å; F111-F142 HydrophobicContact CD1-CG 3.89Å; F111-F142 HydrophobicContact CD2-CB 4.4Å; F111-F142 HydrophobicContact CD2-CD2 4.26Å; F111-F142 HydrophobicContact CE1-CB 3.44Å; F111-F142 VanDerWaalsContact CE1-CB 3.44Å; F111-F142 AromaticContact CE1-CD1 3.66Å; F111-F142 HydrophobicContact CE1-CD1 3.66Å; F111-F142 AromaticContact CE1-CD2 3.98Å; F111-F142 HydrophobicContact CE1-CD2 3.98Å; F111-F142 HydrophobicContact CE1-CE1 4.33Å; F111-F142 AromaticContact CE1-CG 3.43Å; F111-F142 HydrophobicContact CE1-CG 3.43Å; F111-F142 VanDerWaalsContact CE1-CG 3.43Å; F111-F142 HydrophobicContact CE2-CB 4.47Å; F111-F142 AromaticContact CE2-CD2 3.79Å; F111-F142 HydrophobicContact CE2-CD2 3.79Å; F111-F142 HydrophobicContact CE2-CE2 4.15Å; F111-F142 HydrophobicContact CE2-CG 4.12Å; F111-F142 HydrophobicContact CG-CB 3.88Å; F111-F142 HydrophobicContact CG-CG 4.4Å; F111-F142 HydrophobicContact CZ-CB 4.03Å; F111-F142 AromaticContact CZ-CD1 3.85Å; F111-F142 HydrophobicContact CZ-CD1 3.85Å; F111-F142 AromaticContact CZ-CD2 3.64Å; F111-F142 HydrophobicContact CZ-CD2 3.64Å; F111-F142 HydrophobicContact CZ-CE1 4.12Å; F111-F142 AromaticContact CZ-CE2 3.95Å; F111-F142 HydrophobicContact CZ-CE2 3.95Å; F111-F142 AromaticContact CZ-CG 3.57Å; F111-F142 HydrophobicContact CZ-CG 3.57Å; F111-F142 HydrophobicContact CZ-CZ 4.16Å; F111-R178 HydrophobicContact CB-CG 4.25Å; F111-R178 HydrophobicContact CD1-CG 3.8Å; F111-R178 HydrophobicContact CD2-CB 4.11Å; F111-R178 HydrophobicContact CD2-CG 3.68Å; F111-R178 HydrophobicContact CE1-CB 4.29Å; F111-R178 HydrophobicContact CE1-CG 4.04Å; F111-R178 HydrophobicContact CE2-CB 3.84Å; F111-R178 HydrophobicContact CE2-CG 3.92Å; F111-R178 HydrophobicContact CG-CB 4.45Å; F111-R178 HydrophobicContact CG-CG 3.62Å; F111-R178 HydrophobicContact CZ-CB 3.94Å; F111-R178 HydrophobicContact CZ-CG 4.09Å; F111-M181 HydrophobicContact CD1-SD 4.32Å; F111-M181 HydrophobicContact CE1-CB 3.86Å; F111-M181 HydrophobicContact CE1-CG 4.35Å; F111-M181 HydrophobicContact CE1-SD 3.58Å; F111-M181 VanDerWaalsContact CE1-SD 3.58Å; F111-M181 HydrophobicContact CZ-CB 3.89Å; F111-I182 HydrophobicContact CE2-CD1 3.93Å; F111-I182 HydrophobicContact CE2-CG1 3.78Å; F111-I182 HydrophobicContact CZ-CD1 4.44Å; F111-I182 HydrophobicContact CZ-CG1 3.91Å; F111-E202 VanDerWaalsContact O-OE1 3.07Å
112	A	97.3	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	84.6	178	0	0	0	0	0	111.3	V117 L120 F142 T143	A112-V117 HydrophobicContact CB-CG1 4.14Å; A112-V117 WeakPolarHBondContact O-CG1 3.46Å; A112-L120 HydrophobicContact CB-CD1 3.47Å; A112-L120 VanDerWaalsContact CB-CD1 3.47Å; A112-L120 HydrophobicContact CB-CD2 3.58Å; A112-L120 HydrophobicContact CB-CG 3.44Å; A112-L120 VanDerWaalsContact CB-CG 3.44Å; A112-F142 PolarHBondContact N-O 2.97Å; A112-T143 WeakPolarHBondContact O-CA 3.31Å; A112-T143 VanDerWaalsContact O-CB 3.29Å; A112-T143 WeakPolarHBondContact O-CB 3.44Å; A112-T143 PolarHBondContact O-OG1 2.94Å
113	I	96.8	Very high	97.7	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	15%	0.147	C	C	.	.			trans	-105.5	135.2	-175.4	-56.7	-66.8	0	0	0	110.8	F111 K115 Y116 D144 V165 A167 V174	F111-I113 PolarHBondContact O-N 2.91Å; I113-K115 PolarHBondContact O-N 2.91Å; I113-Y116 WeakPolarHBondContact O-CB 3.47Å; I113-Y116 PolarHBondContact O-N 2.98Å; I113-D144 WeakPolarHBondContact CA-OD1 3.48Å; I113-D144 HydrophobicContact CD1-CB 4.43Å; I113-V165 HydrophobicContact CD1-CG2 3.56Å; I113-A167 HydrophobicContact CG2-CB 3.78Å; I113-V174 HydrophobicContact CB-CG1 3.81Å; I113-V174 HydrophobicContact CG1-CG1 4.01Å; I113-V174 HydrophobicContact CG2-CG1 3.99Å; I113-V174 HydrophobicContact CG2-CG2 4.03Å
114	K	95.4	Very high	97.8	Very high	44 Å²	44	22.7 Å²	22.7	19%	0.191	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	56	-124.9	-176.1	-56.6	166	-171.8	167.8	0	111.5	Y116 V117 D144 Q145 A167 Y168 K169	K114-Y116 PolarHBondContact O-N 3.14Å; K114-V117 WeakPolarHBondContact O-CG2 3.5Å; K114-V117 PolarHBondContact O-N 3.49Å; K114-D144 PolarHBondContact N-OD1 3.18Å; K114-Q145 PolarHBondContact O-NE2 2.62Å; K114-A167 HydrophobicContact CG-CB 4.22Å; K114-Y168 WeakPolarHBondContact CE-O 3.42Å; K114-Y168 PolarHBondContact NZ-O 3.26Å; K114-K169 PolarHBondContact NZ-O 3.34Å
115	K	95.8	Very high	97.8	Very high	73 Å²	73	25.8 Å²	25.8	32%	0.317	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-68.6	-15.1	-176.4	-68	178.4	168.2	179.5	0	113.1	I113 V117 A118 A340 V341 N343	I113-K115 PolarHBondContact O-N 2.91Å; K115-V117 PolarHBondContact O-N 3.46Å; K115-A118 WeakPolarHBondContact O-CB 3.33Å; K115-A118 PolarHBondContact O-N 3.48Å; K115-A340 WeakPolarHBondContact CD-O 3.39Å; K115-A340 PolarHBondContact NZ-O 2.75Å; K115-V341 HydrophobicContact CB-CG2 3.97Å; K115-N343 WeakPolarHBondContact CE-O 3.22Å; K115-N343 PolarHBondContact NZ-O 2.86Å
116	Y	95.5	Very high	97.8	Very high	26 Å²	26	25.8 Å²	25.8	10%	0.102	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-71	-10.8	-178.9	-74.7	-95.1	0	0	0	113.7	I113 K114 A118 F119 E202 D203 V341 R342	I113-Y116 WeakPolarHBondContact O-CB 3.47Å; I113-Y116 PolarHBondContact O-N 2.98Å; K114-Y116 PolarHBondContact O-N 3.14Å; Y116-A118 PolarHBondContact O-N 2.76Å; Y116-A118 VanDerWaalsContact O-N 3.1Å; Y116-F119 AromaticContact CD1-CD2 3.63Å; Y116-F119 HydrophobicContact CD1-CD2 3.63Å; Y116-F119 AromaticContact CD1-CE2 3.44Å; Y116-F119 HydrophobicContact CD1-CE2 3.44Å; Y116-F119 VanDerWaalsContact CD1-CE2 3.44Å; Y116-F119 HydrophobicContact CE1-CD2 4.48Å; Y116-F119 AromaticContact CE1-CE2 3.93Å; Y116-F119 HydrophobicContact CE1-CE2 3.93Å; Y116-F119 HydrophobicContact CG-CD2 4.25Å; Y116-F119 HydrophobicContact CG-CE2 4.15Å; Y116-F119 WeakPolarHBondContact O-CD2 3.27Å; Y116-F119 PolarHBondContact O-N 3.36Å; Y116-F119 VanDerWaalsContact O-N 3.08Å; Y116-E202 VanDerWaalsContact CB-OE1 3.23Å; Y116-E202 WeakPolarHBondContact CB-OE1 3.35Å; Y116-E202 HydrophobicContact CD1-CG 3.99Å; Y116-E202 WeakPolarHBondContact CD1-OE1 3.25Å; Y116-E202 HydrophobicContact CG-CG 4.44Å; Y116-D203 HydrophobicContact CD1-CB 4.33Å; Y116-D203 HydrophobicContact CE1-CB 4.24Å; Y116-V341 HydrophobicContact CD1-CG2 4.41Å; Y116-V341 HydrophobicContact CD2-CG2 4.11Å; Y116-V341 HydrophobicContact CE1-CG1 4.34Å; Y116-V341 HydrophobicContact CE1-CG2 4.34Å; Y116-V341 HydrophobicContact CE2-CG1 4.11Å; Y116-V341 HydrophobicContact CE2-CG2 3.98Å; Y116-V341 HydrophobicContact CG-CG2 4.34Å; Y116-R342 HydrophobicContact CE2-CG 4.26Å; Y116-R342 WeakPolarHBondContact OH-CG 3.41Å; Y116-R342 PolarHBondContact OH-NE 3.07Å
117	V	96.8	Very high	97.8	Very high	26 Å²	26	25.8 Å²	25.8	16%	0.158	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-55.5	-24.5	166.6	-59.7	0	0	0	0	113.2	A112 K114 K115 F119 L120 Q145 A148	A112-V117 HydrophobicContact CB-CG1 4.14Å; A112-V117 WeakPolarHBondContact O-CG1 3.46Å; K114-V117 WeakPolarHBondContact O-CG2 3.5Å; K114-V117 PolarHBondContact O-N 3.49Å; K115-V117 PolarHBondContact O-N 3.46Å; V117-F119 PolarHBondContact O-N 3.46Å; V117-L120 PolarHBondContact O-N 3.23Å; V117-Q145 HydrophobicContact CG1-CB 4.33Å; V117-A148 HydrophobicContact CB-CB 4.02Å; V117-A148 HydrophobicContact CG1-CB 4.11Å; V117-A148 HydrophobicContact CG2-CB 3.95Å
118	A	96.7	Very high	97.8	Very high	79 Å²	79	27.4 Å²	27.4	65%	0.653	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-62.4	-25.5	176.9	0	0	0	0	0	113.7	K115 Y116	K115-A118 WeakPolarHBondContact O-CB 3.33Å; K115-A118 PolarHBondContact O-N 3.48Å; Y116-A118 PolarHBondContact O-N 2.76Å; Y116-A118 VanDerWaalsContact O-N 3.1Å
119	F	97.4	Very high	97.8	Very high	25 Å²	25	34.3 Å²	34.3	11%	0.11	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-84.5	-20.3	-178.7	-59.2	-72.2	0	0	0	113.5	Y116 V117 K121 L122 F123 E202 D203 V334 K336 V341	Y116-F119 AromaticContact CD1-CD2 3.63Å; Y116-F119 HydrophobicContact CD1-CD2 3.63Å; Y116-F119 AromaticContact CD1-CE2 3.44Å; Y116-F119 HydrophobicContact CD1-CE2 3.44Å; Y116-F119 VanDerWaalsContact CD1-CE2 3.44Å; Y116-F119 HydrophobicContact CE1-CD2 4.48Å; Y116-F119 AromaticContact CE1-CE2 3.93Å; Y116-F119 HydrophobicContact CE1-CE2 3.93Å; Y116-F119 HydrophobicContact CG-CD2 4.25Å; Y116-F119 HydrophobicContact CG-CE2 4.15Å; Y116-F119 WeakPolarHBondContact O-CD2 3.27Å; Y116-F119 PolarHBondContact O-N 3.36Å; Y116-F119 VanDerWaalsContact O-N 3.08Å; V117-F119 PolarHBondContact O-N 3.46Å; F119-K121 VanDerWaalsContact C-N 3.27Å; F119-K121 PolarHBondContact O-N 2.8Å; F119-K121 VanDerWaalsContact O-N 3.15Å; F119-L122 PolarHBondContact O-N 2.93Å; F119-F123 WeakPolarHBondContact O-CB 3.39Å; F119-F123 PolarHBondContact O-N 3.32Å; F119-E202 WeakPolarHBondContact CB-O 3.45Å; F119-E202 HydrophobicContact CD2-CG 4.42Å; F119-D203 HydrophobicContact CD1-CB 4.16Å; F119-D203 HydrophobicContact CD2-CB 3.83Å; F119-D203 HydrophobicContact CE1-CB 4.16Å; F119-D203 HydrophobicContact CE2-CB 3.83Å; F119-D203 HydrophobicContact CG-CB 4.01Å; F119-D203 HydrophobicContact CZ-CB 4Å; F119-V334 HydrophobicContact CD1-CB 4.36Å; F119-V334 HydrophobicContact CD1-CG1 4.2Å; F119-V334 HydrophobicContact CE1-CB 4.37Å; F119-V334 HydrophobicContact CE1-CG1 4.08Å; F119-K336 HydrophobicContact CE1-CB 4.43Å; F119-K336 HydrophobicContact CZ-CB 4.03Å; F119-K336 HydrophobicContact CZ-CD 4.28Å; F119-V341 HydrophobicContact CE2-CG2 3.9Å; F119-V341 HydrophobicContact CZ-CG2 4.28Å
120	L	98.3	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-37.5	-171.4	-77.4	178.6	0	0	0	113.9	V110 A112 V117 F123 L124 V141 V149 P150	V110-L120 HydrophobicContact CG1-CD2 4.31Å; A112-L120 HydrophobicContact CB-CD1 3.47Å; A112-L120 VanDerWaalsContact CB-CD1 3.47Å; A112-L120 HydrophobicContact CB-CD2 3.58Å; A112-L120 HydrophobicContact CB-CG 3.44Å; A112-L120 VanDerWaalsContact CB-CG 3.44Å; V117-L120 PolarHBondContact O-N 3.23Å; L120-F123 PolarHBondContact O-N 3.41Å; L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.05Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.42Å; L120-L124 PolarHBondContact O-N 3.31Å; L120-V141 HydrophobicContact CD1-CG1 3.81Å; L120-V141 HydrophobicContact CD2-CG1 3.91Å; L120-V141 HydrophobicContact CD2-CG2 4.5Å; L120-V149 HydrophobicContact CD1-CB 4.47Å; L120-V149 HydrophobicContact CD1-CG1 4.36Å; L120-V149 HydrophobicContact CD1-CG2 4.14Å; L120-P150 HydrophobicContact CB-CG 3.84Å
121	K	98.3	Very high	97.8	Very high	109 Å²	109	36.5 Å²	36.5	47%	0.474	18%	0.181	S	C	.	.	H	α-helix	trans	-63.8	-52.3	-175.8	-175.1	177.4	-178.8	-67.5	0	110.5	F119 E125 P150	F119-K121 VanDerWaalsContact C-N 3.27Å; F119-K121 PolarHBondContact O-N 2.8Å; F119-K121 VanDerWaalsContact O-N 3.15Å; K121-E125 VanDerWaalsContact CE-OE1 3.23Å; K121-E125 WeakPolarHBondContact CE-OE1 3.48Å; K121-E125 HydrophobicContact CG-CG 4.46Å; K121-E125 IonicContact NZ-OE1 2.66Å; K121-E125 PolarHBondContact NZ-OE1 2.76Å; K121-E125 IonicContact NZ-OE2 2.83Å; K121-E125 PolarHBondContact NZ-OE2 2.72Å; K121-E125 VanDerWaalsContact O-CB 3.28Å; K121-E125 WeakPolarHBondContact O-CB 3.24Å; K121-E125 WeakPolarHBondContact O-CG 3.44Å; K121-E125 PolarHBondContact O-N 2.82Å; K121-P150 HydrophobicContact CB-CB 4.13Å; K121-P150 HydrophobicContact CB-CG 4.01Å; K121-P150 HydrophobicContact CG-CB 4.42Å
122	L	98.4	Very high	97.8	Very high	64 Å²	64	36.2 Å²	36.2	34%	0.335	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-44	178.7	179.9	62.5	0	0	0	111.1	F119 L124 T126 E205 V334	F119-L122 PolarHBondContact O-N 2.93Å; L122-L124 PolarHBondContact O-N 3Å; L122-T126 HydrophobicContact CD1-CG2 3.87Å; L122-T126 HydrophobicContact CG-CG2 4.49Å; L122-T126 WeakPolarHBondContact O-CB 3.32Å; L122-T126 WeakPolarHBondContact O-CG2 3.35Å; L122-T126 PolarHBondContact O-N 2.64Å; L122-T126 PolarHBondContact O-OG1 3.47Å; L122-E205 HydrophobicContact CD2-CB 4.04Å; L122-E205 HydrophobicContact CG-CB 3.98Å; L122-V334 HydrophobicContact CD2-CG2 3.83Å
123	F	98.8	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.8	-53.2	177.9	176.6	-87.7	0	0	0	111.9	L108 V110 F119 L120 T126 A127 V200 F206 F331	L108-F123 HydrophobicContact CD2-CE1 3.93Å; L108-F123 HydrophobicContact CD2-CZ 3.8Å; L108-F123 HydrophobicContact CG-CZ 4.34Å; V110-F123 HydrophobicContact CB-CE1 3.98Å; V110-F123 HydrophobicContact CB-CZ 4.01Å; V110-F123 HydrophobicContact CG1-CE1 3.97Å; V110-F123 HydrophobicContact CG1-CZ 4.49Å; V110-F123 HydrophobicContact CG2-CD1 4.31Å; V110-F123 HydrophobicContact CG2-CE1 3.94Å; V110-F123 HydrophobicContact CG2-CE2 4.21Å; V110-F123 HydrophobicContact CG2-CZ 3.88Å; F119-F123 WeakPolarHBondContact O-CB 3.39Å; F119-F123 PolarHBondContact O-N 3.32Å; L120-F123 PolarHBondContact O-N 3.41Å; F123-T126 PolarHBondContact O-N 3.14Å; F123-T126 PolarHBondContact O-OG1 3.48Å; F123-T126 VanDerWaalsContact O-OG1 3.1Å; F123-A127 VanDerWaalsContact O-CB 3.26Å; F123-A127 WeakPolarHBondContact O-CB 3.24Å; F123-A127 PolarHBondContact O-N 2.9Å; F123-V200 HydrophobicContact CE2-CG2 3.66Å; F123-V200 HydrophobicContact CZ-CG2 3.52Å; F123-F206 HydrophobicContact CD2-CE2 4.23Å; F123-F206 AromaticContact CE2-CE2 3.83Å; F123-F206 HydrophobicContact CE2-CE2 3.83Å; F123-F206 HydrophobicContact CE2-CZ 4.38Å; F123-F206 HydrophobicContact CZ-CE2 4.03Å; F123-F206 HydrophobicContact CZ-CZ 4.46Å; F123-F331 HydrophobicContact CD2-CE2 4.25Å; F123-F331 AromaticContact CE2-CE2 3.93Å; F123-F331 HydrophobicContact CE2-CE2 3.93Å; F123-F331 AromaticContact CE2-CZ 3.96Å; F123-F331 HydrophobicContact CE2-CZ 3.96Å
124	L	98.8	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.6	-41.8	-177.6	-69	170.9	0	0	0	112.1	L120 L122 T126 A127 E128 Y139 P150 V152 L160	L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.05Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.42Å; L120-L124 PolarHBondContact O-N 3.31Å; L122-L124 PolarHBondContact O-N 3Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.4Å; L124-A127 PolarHBondContact O-N 3.41Å; L124-E128 PolarHBondContact O-N 3.15Å; L124-Y139 HydrophobicContact CD2-CD1 3.99Å; L124-Y139 HydrophobicContact CD2-CE1 4.34Å; L124-Y139 HydrophobicContact CD2-CG 4.18Å; L124-P150 HydrophobicContact CD1-CG 4.27Å; L124-V152 HydrophobicContact CB-CB 4.3Å; L124-V152 HydrophobicContact CB-CG1 4.22Å; L124-V152 HydrophobicContact CB-CG2 3.91Å; L124-V152 HydrophobicContact CD1-CG2 4.11Å; L124-L160 HydrophobicContact CD1-CD1 3.72Å; L124-L160 HydrophobicContact CD2-CD1 3.89Å; L124-L160 HydrophobicContact CG-CD1 4.48Å
125	E	98.8	Very high	98.1	Very high	69 Å²	69	41.5 Å²	41.5	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-63.9	-34.8	178.7	-75.4	176.7	160.8	0	0	112.5	K121 V152	K121-E125 VanDerWaalsContact CE-OE1 3.23Å; K121-E125 WeakPolarHBondContact CE-OE1 3.48Å; K121-E125 HydrophobicContact CG-CG 4.46Å; K121-E125 IonicContact NZ-OE1 2.66Å; K121-E125 PolarHBondContact NZ-OE1 2.76Å; K121-E125 IonicContact NZ-OE2 2.83Å; K121-E125 PolarHBondContact NZ-OE2 2.72Å; K121-E125 VanDerWaalsContact O-CB 3.28Å; K121-E125 WeakPolarHBondContact O-CB 3.24Å; K121-E125 WeakPolarHBondContact O-CG 3.44Å; K121-E125 PolarHBondContact O-N 2.82Å; E125-V152 HydrophobicContact CG-CG1 3.9Å; E125-V152 HydrophobicContact CG-CG2 4.32Å
126	T	98.9	Very high	98.2	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-80.7	-34.9	175.8	55.9	0	0	0	0	112.2	L122 F123 L124 E128 K129 H130 E205 F206	L122-T126 HydrophobicContact CD1-CG2 3.87Å; L122-T126 HydrophobicContact CG-CG2 4.49Å; L122-T126 WeakPolarHBondContact O-CB 3.32Å; L122-T126 WeakPolarHBondContact O-CG2 3.35Å; L122-T126 PolarHBondContact O-N 2.64Å; L122-T126 PolarHBondContact O-OG1 3.47Å; F123-T126 PolarHBondContact O-N 3.14Å; F123-T126 PolarHBondContact O-OG1 3.48Å; F123-T126 VanDerWaalsContact O-OG1 3.1Å; L124-T126 VanDerWaalsContact C-N 3.29Å; L124-T126 PolarHBondContact O-N 3.4Å; T126-E128 VanDerWaalsContact C-N 3.3Å; T126-E128 PolarHBondContact O-N 2.96Å; T126-K129 PolarHBondContact O-N 3.03Å; T126-H130 PolarHBondContact O-CD2 3.48Å; T126-H130 PolarHBondContact O-N 3.5Å; T126-E205 HydrophobicContact CG2-CB 4.3Å; T126-F206 VanDerWaalsContact CB-O 3.25Å; T126-F206 WeakPolarHBondContact CB-O 3.43Å; T126-F206 PolarHBondContact OG1-N 3.35Å
127	A	98.8	Very high	98.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-41.2	172.1	0	0	0	0	0	111.7	F123 L124 K129 H130 F131 Y139 F206	F123-A127 VanDerWaalsContact O-CB 3.26Å; F123-A127 WeakPolarHBondContact O-CB 3.24Å; F123-A127 PolarHBondContact O-N 2.9Å; L124-A127 PolarHBondContact O-N 3.41Å; A127-K129 PolarHBondContact O-N 3.29Å; A127-H130 PolarHBondContact O-N 3Å; A127-F131 HydrophobicContact CB-CB 4.12Å; A127-F131 WeakPolarHBondContact O-CA 3.33Å; A127-F131 VanDerWaalsContact O-CB 3.27Å; A127-F131 WeakPolarHBondContact O-CB 3.36Å; A127-F131 PolarHBondContact O-N 2.84Å; A127-Y139 HydrophobicContact CB-CE1 3.93Å; A127-F206 HydrophobicContact CB-CD2 3.78Å; A127-F206 HydrophobicContact CB-CE2 3.66Å; A127-F206 HydrophobicContact CB-CZ 4.45Å
128	E	98.7	Very high	98.5	Very high	35 Å²	35	40.8 Å²	40.8	16%	0.164	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-29.6	175.2	-78.5	-59.4	109.3	0	0	113.6	L124 T126 Y139 L154 G155 R158	L124-E128 PolarHBondContact O-N 3.15Å; T126-E128 VanDerWaalsContact C-N 3.3Å; T126-E128 PolarHBondContact O-N 2.96Å; E128-Y139 WeakPolarHBondContact OE1-CE2 3.4Å; E128-Y139 VanDerWaalsContact OE1-CZ 3.23Å; E128-Y139 PolarHBondContact OE1-OH 3.11Å; E128-L154 HydrophobicContact CG-CD2 4.06Å; E128-L154 WeakPolarHBondContact OE2-CA 3.05Å; E128-G155 PolarHBondContact OE2-N 2.9Å; E128-R158 IonicContact OE1-CZ 2.75Å; E128-R158 IonicContact OE1-NE 3.52Å; E128-R158 PolarHBondContact OE1-NE 2.93Å; E128-R158 IonicContact OE1-NH2 3.93Å; E128-R158 WeakPolarHBondContact OE2-CD 3.16Å; E128-R158 IonicContact OE2-NE 3.99Å; E128-R158 PolarHBondContact OE2-NE 3.32Å
129	K	98.7	Very high	98.6	Very high	144 Å²	144	37 Å²	37	63%	0.626	19%	0.189	S	C	*	.	H	α-helix	trans	-84.4	-25.8	-179.4	-65	175.3	-174.2	176.1	0	113.5	T126 A127 V133	T126-K129 PolarHBondContact O-N 3.03Å; A127-K129 PolarHBondContact O-N 3.29Å; K129-V133 WeakPolarHBondContact O-CG2 3.46Å
130	H	98.9	Very high	98.7	Very high	48 Å²	48	35.9 Å²	35.9	22%	0.222	18%	0.184	C	C	.	.	H	α-helix	trans	-134.6	-23.7	-160.7	-65.3	-55.1	0	0	0	115.1	T126 A127 F206 D208 V210	T126-H130 PolarHBondContact O-CD2 3.48Å; T126-H130 PolarHBondContact O-N 3.5Å; A127-H130 PolarHBondContact O-N 3Å; H130-F206 HydrophobicContact CB-CB 3.71Å; H130-F206 HydrophobicContact CB-CG 4.47Å; H130-F206 PolarHBondContact CD2-O 2.99Å; H130-F206 VanDerWaalsContact CD2-O 3.28Å; H130-D208 WeakPolarHBondContact CB-O 3.44Å; H130-V210 PolarHBondContact O-N 3.49Å; H130-V210 VanDerWaalsContact O-O 3.14Å
131	F	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-93.4	112.8	-174.7	-178.1	-103.5	0	0	0	111.4	I106 L108 A127 V133 V137 R158 V198 F206 V210	I106-F131 HydrophobicContact CG2-CE1 4.22Å; I106-F131 HydrophobicContact CG2-CZ 3.84Å; L108-F131 HydrophobicContact CB-CE1 3.83Å; L108-F131 HydrophobicContact CB-CZ 4.09Å; L108-F131 HydrophobicContact CD1-CE1 4.33Å; L108-F131 HydrophobicContact CD1-CE2 4.14Å; L108-F131 HydrophobicContact CD1-CZ 3.89Å; L108-F131 HydrophobicContact CD2-CD1 4Å; L108-F131 HydrophobicContact CD2-CE1 4Å; L108-F131 HydrophobicContact CD2-CG 4.32Å; L108-F131 HydrophobicContact CD2-CZ 4.33Å; L108-F131 HydrophobicContact CG-CE1 4.28Å; L108-F131 HydrophobicContact CG-CZ 4.33Å; A127-F131 HydrophobicContact CB-CB 4.12Å; A127-F131 WeakPolarHBondContact O-CA 3.33Å; A127-F131 VanDerWaalsContact O-CB 3.27Å; A127-F131 WeakPolarHBondContact O-CB 3.36Å; A127-F131 PolarHBondContact O-N 2.84Å; F131-V133 PolarHBondContact O-N 3.21Å; F131-V133 VanDerWaalsContact O-N 3.12Å; F131-V137 HydrophobicContact CD1-CG1 4.16Å; F131-V137 HydrophobicContact CD1-CG2 4.27Å; F131-V137 HydrophobicContact CE1-CG1 4Å; F131-V137 HydrophobicContact CE1-CG2 4.19Å; F131-R158 PolarHBondContact O-NH1 2.85Å; F131-R158 PolarHBondContact O-NH2 3.37Å; F131-V198 HydrophobicContact CE2-CB 4.35Å; F131-V198 HydrophobicContact CE2-CG1 4.18Å; F131-V198 HydrophobicContact CE2-CG2 4.25Å; F131-V198 HydrophobicContact CZ-CB 4.11Å; F131-V198 HydrophobicContact CZ-CG1 4.41Å; F131-V198 HydrophobicContact CZ-CG2 4.03Å; F131-F206 HydrophobicContact CB-CD1 4.44Å; F131-F206 HydrophobicContact CB-CE1 4.17Å; F131-F206 HydrophobicContact CB-CZ 4.36Å; F131-F206 AromaticContact CD2-CE1 3.96Å; F131-F206 HydrophobicContact CD2-CE1 3.96Å; F131-F206 HydrophobicContact CD2-CZ 4.23Å; F131-F206 HydrophobicContact CG-CE1 4.42Å; F131-F206 HydrophobicContact CG-CZ 4.49Å; F131-V210 WeakPolarHBondContact CA-O 3.21Å; F131-V210 HydrophobicContact CD2-CB 4.37Å; F131-V210 HydrophobicContact CD2-CG1 3.99Å; F131-V210 HydrophobicContact CE2-CG1 4.34Å
132	M	98.8	Very high	98.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	52.3	37.9	172.2	-56.4	-68.8	174.3	0	0	113	I106 G134 H135 V137 R158 V210 G211 V212 I214 L215	I106-M132 HydrophobicContact CB-CG 4.3Å; I106-M132 HydrophobicContact CD1-CB 4.42Å; I106-M132 HydrophobicContact CD1-CG 4.34Å; I106-M132 HydrophobicContact CD1-SD 4.26Å; I106-M132 HydrophobicContact CG1-CG 4.21Å; I106-M132 HydrophobicContact CG1-SD 4.11Å; I106-M132 HydrophobicContact CG2-CE 4.3Å; I106-M132 HydrophobicContact CG2-CG 4.27Å; M132-G134 PolarHBondContact O-N 3.37Å; M132-H135 HydrophobicContact CB-CB 4.41Å; M132-H135 PolarHBondContact O-N 3.21Å; M132-V137 HydrophobicContact CB-CG2 3.65Å; M132-V137 HydrophobicContact CG-CG2 4.43Å; M132-R158 PolarHBondContact O-NH1 3.13Å; M132-V210 PolarHBondContact N-O 3.27Å; M132-G211 WeakPolarHBondContact CE-O 3.47Å; M132-V212 HydrophobicContact SD-CG1 3.96Å; M132-I214 HydrophobicContact CE-CD1 3.54Å; M132-I214 HydrophobicContact CE-CG1 3.65Å; M132-L215 HydrophobicContact CE-CD1 4.45Å; M132-L215 HydrophobicContact CE-CD2 3.7Å; M132-L215 HydrophobicContact CE-CG 4.01Å; M132-L215 HydrophobicContact SD-CD1 4.44Å
133	V	98.6	Very high	98.7	Very high	81 Å²	81	27.6 Å²	27.6	49%	0.491	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	132.6	-178.8	179.3	0	0	0	0	109.5	K129 F131 H135	K129-V133 WeakPolarHBondContact O-CG2 3.46Å; F131-V133 PolarHBondContact O-N 3.21Å; F131-V133 VanDerWaalsContact O-N 3.12Å; V133-H135 VanDerWaalsContact C-N 3.34Å
134	G	97.6	Very high	98.7	Very high	64 Å²	64	29.7 Å²	29.7	66%	0.66	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	-1	-175.2	0	0	0	0	0	115	M132	M132-G134 PolarHBondContact O-N 3.37Å
135	H	98.8	Very high	98.6	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.069	17%	0.173	C	C	.	.	S	Bend	trans	-115.5	165	174.2	-61.6	-93	0	0	0	111.4	N96 I106 M132 V133 V212	N96-H135 PolarHBondContact OD1-NE2 2.77Å; I106-H135 HydrophobicContact CD1-CB 3.85Å; M132-H135 HydrophobicContact CB-CB 4.41Å; M132-H135 PolarHBondContact O-N 3.21Å; V133-H135 VanDerWaalsContact C-N 3.34Å; H135-V212 VanDerWaalsContact CE1-CG1 3.44Å; H135-V212 WeakPolarHBondContact CE1-CG1 3.45Å; H135-V212 WeakPolarHBondContact NE2-CG1 3.26Å
136	R	98.9	Very high	98.5	Very high	107 Å²	107	34 Å²	34	40%	0.404	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.8	178	-60.7	171.9	57.4	76.3	3.4	109.4	N103 T105 I106 G157	N103-R136 VanDerWaalsContact OD1-CD 3.26Å; N103-R136 WeakPolarHBondContact OD1-CD 3.31Å; T105-R136 WeakPolarHBondContact CA-O 3.46Å; T105-R136 HydrophobicContact CG2-CB 3.9Å; T105-R136 WeakPolarHBondContact OG1-CD 3.41Å; T105-R136 PolarHBondContact OG1-NE 2.97Å; I106-R136 WeakPolarHBondContact CD1-O 3.34Å; I106-R136 PolarHBondContact N-O 3.44Å; R136-G157 WeakPolarHBondContact CA-O 3.31Å
137	V	98.9	Very high	98.3	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.7	-178.4	173.8	0	0	0	0	111.4	I106 F131 M132 Y139 G157 R158 Q159	I106-V137 CarbonylContact O-C 3.57Å; I106-V137 VanDerWaalsContact O-CA 3.31Å; I106-V137 WeakPolarHBondContact O-CA 3.49Å; F131-V137 HydrophobicContact CD1-CG1 4.16Å; F131-V137 HydrophobicContact CD1-CG2 4.27Å; F131-V137 HydrophobicContact CE1-CG1 4Å; F131-V137 HydrophobicContact CE1-CG2 4.19Å; M132-V137 HydrophobicContact CB-CG2 3.65Å; M132-V137 HydrophobicContact CG-CG2 4.43Å; V137-Y139 HydrophobicContact CG1-CD1 4.25Å; V137-Y139 HydrophobicContact CG1-CD2 4.18Å; V137-Y139 HydrophobicContact CG1-CE1 3.97Å; V137-Y139 HydrophobicContact CG1-CE2 3.91Å; V137-Y139 HydrophobicContact CG1-CG 4.37Å; V137-G157 PolarHBondContact N-O 3.3Å; V137-R158 HydrophobicContact CB-CG 4.29Å; V137-R158 CarbonylContact O-C 3.53Å; V137-R158 VanDerWaalsContact O-CA 3.27Å; V137-R158 WeakPolarHBondContact O-CA 3.3Å; V137-Q159 PolarHBondContact O-N 3.2Å
138	H	98.9	Very high	98.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.3	170.8	-159.1	154.5	0	0	0	110	I106 G107 L108 Y140 Q159 S161 E193 V194	I106-H138 PolarHBondContact O-N 3.3Å; G107-H138 CarbonylContact C-O 3.57Å; G107-H138 VanDerWaalsContact CA-O 3.28Å; G107-H138 WeakPolarHBondContact CA-O 3.34Å; L108-H138 PolarHBondContact N-O 3.45Å; H138-Y140 HydrophobicContact CB-CE2 3.97Å; H138-Y140 AromaticContact CD2-CE1 3.6Å; H138-Y140 AromaticContact CD2-CZ 3.7Å; H138-Y140 AromaticContact CE1-CE1 3.61Å; H138-Y140 AromaticContact CE1-CZ 3.8Å; H138-Y140 AromaticContact CG-CE1 3.88Å; H138-Y140 AromaticContact CG-CE2 3.98Å; H138-Y140 AromaticContact CG-CZ 3.51Å; H138-Y140 AromaticContact ND1-CE1 3.93Å; H138-Y140 AromaticContact ND1-CZ 3.63Å; H138-Y140 PolarHBondContact ND1-OH 3.34Å; H138-Y140 AromaticContact NE2-CE1 3.42Å; H138-Y140 WeakPolarHBondContact NE2-CE1 3.33Å; H138-Y140 AromaticContact NE2-CZ 3.87Å; H138-Y140 WeakPolarHBondContact O-CD2 3.47Å; H138-Q159 CarbonylContact C-O 3.52Å; H138-Q159 WeakPolarHBondContact CA-O 3.4Å; H138-Q159 HydrophobicContact CB-CG 4.19Å; H138-Q159 PolarHBondContact CE1-NE2 2.89Å; H138-Q159 PolarHBondContact ND1-NE2 3.35Å; H138-S161 WeakPolarHBondContact NE2-CB 3.48Å; H138-S161 PolarHBondContact NE2-OG 2.82Å; H138-E193 IonicContact CE1-OE2 3.54Å; H138-E193 PolarHBondContact CE1-OE2 3.1Å; H138-E193 VanDerWaalsContact CE1-OE2 3.25Å; H138-E193 IonicContact ND1-OE2 2.93Å; H138-V194 HydrophobicContact CB-CG1 3.94Å
139	Y	98.9	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.2	173.5	-58.6	-78.7	0	0	0	110.8	L108 L124 A127 E128 V137 L154 R158 Q159 L160 S161	L108-Y139 HydrophobicContact CB-CD1 4.02Å; L108-Y139 HydrophobicContact CB-CE1 4.47Å; L108-Y139 HydrophobicContact CD2-CD1 3.79Å; L108-Y139 HydrophobicContact CD2-CE1 3.7Å; L108-Y139 HydrophobicContact CG-CD1 4.37Å; L124-Y139 HydrophobicContact CD2-CD1 3.99Å; L124-Y139 HydrophobicContact CD2-CE1 4.34Å; L124-Y139 HydrophobicContact CD2-CG 4.18Å; A127-Y139 HydrophobicContact CB-CE1 3.93Å; E128-Y139 WeakPolarHBondContact OE1-CE2 3.4Å; E128-Y139 VanDerWaalsContact OE1-CZ 3.23Å; E128-Y139 PolarHBondContact OE1-OH 3.11Å; V137-Y139 HydrophobicContact CG1-CD1 4.25Å; V137-Y139 HydrophobicContact CG1-CD2 4.18Å; V137-Y139 HydrophobicContact CG1-CE1 3.97Å; V137-Y139 HydrophobicContact CG1-CE2 3.91Å; V137-Y139 HydrophobicContact CG1-CG 4.37Å; Y139-L154 HydrophobicContact CD2-CD1 4.44Å; Y139-L154 HydrophobicContact CD2-CD2 4.3Å; Y139-L154 HydrophobicContact CE2-CD2 3.95Å; Y139-R158 PolarHBondContact OH-NH2 3.09Å; Y139-Q159 WeakPolarHBondContact CD2-O 3.46Å; Y139-Q159 PolarHBondContact N-O 3.38Å; Y139-L160 HydrophobicContact CD2-CB 4.38Å; Y139-L160 CarbonylContact O-C 3.59Å; Y139-L160 WeakPolarHBondContact O-CA 3.41Å; Y139-S161 PolarHBondContact O-N 2.94Å
140	Y	98.9	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	100.8	174.3	-60	-75.5	0	0	0	109.3	L108 T109 V110 H138 S161 L163 F190 E193 V194 L197	L108-Y140 PolarHBondContact O-N 2.9Å; T109-Y140 WeakPolarHBondContact CA-O 3.44Å; T109-Y140 HydrophobicContact CG2-CD2 4.31Å; V110-Y140 PolarHBondContact N-O 3.31Å; H138-Y140 HydrophobicContact CB-CE2 3.97Å; H138-Y140 AromaticContact CD2-CE1 3.6Å; H138-Y140 AromaticContact CD2-CZ 3.7Å; H138-Y140 AromaticContact CE1-CE1 3.61Å; H138-Y140 AromaticContact CE1-CZ 3.8Å; H138-Y140 AromaticContact CG-CE1 3.88Å; H138-Y140 AromaticContact CG-CE2 3.98Å; H138-Y140 AromaticContact CG-CZ 3.51Å; H138-Y140 AromaticContact ND1-CE1 3.93Å; H138-Y140 AromaticContact ND1-CZ 3.63Å; H138-Y140 PolarHBondContact ND1-OH 3.34Å; H138-Y140 AromaticContact NE2-CE1 3.42Å; H138-Y140 WeakPolarHBondContact NE2-CE1 3.33Å; H138-Y140 AromaticContact NE2-CZ 3.87Å; H138-Y140 WeakPolarHBondContact O-CD2 3.47Å; Y140-S161 WeakPolarHBondContact CA-O 3.24Å; Y140-L163 HydrophobicContact CD1-CD1 4.06Å; Y140-L163 HydrophobicContact CG-CD1 4.43Å; Y140-F190 HydrophobicContact CD1-CD1 4.31Å; Y140-F190 AromaticContact CD1-CE1 3.6Å; Y140-F190 HydrophobicContact CD1-CE1 3.6Å; Y140-F190 HydrophobicContact CD2-CD1 4.04Å; Y140-F190 AromaticContact CD2-CE1 3.56Å; Y140-F190 HydrophobicContact CD2-CE1 3.56Å; Y140-F190 HydrophobicContact CD2-CZ 4.28Å; Y140-F190 AromaticContact CE1-CD1 3.92Å; Y140-F190 HydrophobicContact CE1-CD1 3.92Å; Y140-F190 AromaticContact CE1-CE1 3.67Å; Y140-F190 HydrophobicContact CE1-CE1 3.67Å; Y140-F190 AromaticContact CE2-CD1 3.64Å; Y140-F190 HydrophobicContact CE2-CD1 3.64Å; Y140-F190 AromaticContact CE2-CE1 3.64Å; Y140-F190 HydrophobicContact CE2-CE1 3.64Å; Y140-F190 HydrophobicContact CG-CD1 4.34Å; Y140-F190 AromaticContact CG-CE1 3.51Å; Y140-F190 HydrophobicContact CG-CE1 3.51Å; Y140-F190 HydrophobicContact CG-CZ 4.19Å; Y140-F190 AromaticContact CZ-CD1 3.55Å; Y140-F190 AromaticContact CZ-CE1 3.69Å; Y140-E193 WeakPolarHBondContact CE1-OE2 3.47Å; Y140-E193 VanDerWaalsContact CZ-OE2 3.28Å; Y140-E193 VanDerWaalsContact OH-CB 3.26Å; Y140-E193 WeakPolarHBondContact OH-CB 3.2Å; Y140-E193 PolarHBondContact OH-OE2 3.31Å; Y140-V194 HydrophobicContact CE2-CG1 4.1Å; Y140-L197 HydrophobicContact CE2-CD2 4.48Å
141	V	98.8	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	105.7	-179.9	179.8	0	0	0	0	108.8	V110 L120 V149 L160 S161 V162 L163	V110-V141 HydrophobicContact CG1-CB 4.42Å; V110-V141 HydrophobicContact CG1-CG2 3.91Å; L120-V141 HydrophobicContact CD1-CG1 3.81Å; L120-V141 HydrophobicContact CD2-CG1 3.91Å; L120-V141 HydrophobicContact CD2-CG2 4.5Å; V141-V149 HydrophobicContact CG1-CG1 4.4Å; V141-V149 HydrophobicContact CG1-CG2 4.04Å; V141-L160 HydrophobicContact CG2-CD1 3.91Å; V141-L160 HydrophobicContact CG2-CD2 4.22Å; V141-L160 HydrophobicContact CG2-CG 4.1Å; V141-S161 PolarHBondContact N-O 3.11Å; V141-V162 CarbonylContact O-C 3.54Å; V141-V162 WeakPolarHBondContact O-CA 3.39Å; V141-L163 PolarHBondContact O-N 3.43Å
142	F	98.8	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124	172.7	-68.7	-97.8	0	0	0	109.6	T109 V110 F111 A112 L163 V165 M181 F185 F190	T109-F142 HydrophobicContact CG2-CE2 4.12Å; V110-F142 PolarHBondContact O-N 3.15Å; F111-F142 CarbonylContact C-O 3.58Å; F111-F142 HydrophobicContact CD1-CB 3.36Å; F111-F142 HydrophobicContact CD1-CD1 4.46Å; F111-F142 HydrophobicContact CD1-CD2 4.44Å; F111-F142 AromaticContact CD1-CG 3.89Å; F111-F142 HydrophobicContact CD1-CG 3.89Å; F111-F142 HydrophobicContact CD2-CB 4.4Å; F111-F142 HydrophobicContact CD2-CD2 4.26Å; F111-F142 HydrophobicContact CE1-CB 3.44Å; F111-F142 VanDerWaalsContact CE1-CB 3.44Å; F111-F142 AromaticContact CE1-CD1 3.66Å; F111-F142 HydrophobicContact CE1-CD1 3.66Å; F111-F142 AromaticContact CE1-CD2 3.98Å; F111-F142 HydrophobicContact CE1-CD2 3.98Å; F111-F142 HydrophobicContact CE1-CE1 4.33Å; F111-F142 AromaticContact CE1-CG 3.43Å; F111-F142 HydrophobicContact CE1-CG 3.43Å; F111-F142 VanDerWaalsContact CE1-CG 3.43Å; F111-F142 HydrophobicContact CE2-CB 4.47Å; F111-F142 AromaticContact CE2-CD2 3.79Å; F111-F142 HydrophobicContact CE2-CD2 3.79Å; F111-F142 HydrophobicContact CE2-CE2 4.15Å; F111-F142 HydrophobicContact CE2-CG 4.12Å; F111-F142 HydrophobicContact CG-CB 3.88Å; F111-F142 HydrophobicContact CG-CG 4.4Å; F111-F142 HydrophobicContact CZ-CB 4.03Å; F111-F142 AromaticContact CZ-CD1 3.85Å; F111-F142 HydrophobicContact CZ-CD1 3.85Å; F111-F142 AromaticContact CZ-CD2 3.64Å; F111-F142 HydrophobicContact CZ-CD2 3.64Å; F111-F142 HydrophobicContact CZ-CE1 4.12Å; F111-F142 AromaticContact CZ-CE2 3.95Å; F111-F142 HydrophobicContact CZ-CE2 3.95Å; F111-F142 AromaticContact CZ-CG 3.57Å; F111-F142 HydrophobicContact CZ-CG 3.57Å; F111-F142 HydrophobicContact CZ-CZ 4.16Å; A112-F142 PolarHBondContact N-O 2.97Å; F142-L163 WeakPolarHBondContact CA-O 3.36Å; F142-L163 HydrophobicContact CD1-CB 3.94Å; F142-L163 HydrophobicContact CD1-CD1 4.14Å; F142-L163 HydrophobicContact CD2-CD1 4.26Å; F142-L163 HydrophobicContact CE1-CB 4.17Å; F142-L163 HydrophobicContact CE1-CD1 3.65Å; F142-L163 HydrophobicContact CE2-CD1 3.77Å; F142-L163 HydrophobicContact CG-CB 4.31Å; F142-L163 HydrophobicContact CG-CD1 4.44Å; F142-L163 HydrophobicContact CZ-CD1 3.46Å; F142-L163 VanDerWaalsContact CZ-CD1 3.46Å; F142-V165 HydrophobicContact CB-CG2 4.16Å; F142-V165 HydrophobicContact CD1-CG1 3.79Å; F142-V165 HydrophobicContact CE1-CG1 4.49Å; F142-M181 HydrophobicContact CD1-CB 4.45Å; F142-M181 HydrophobicContact CE1-CB 4.19Å; F142-F185 AromaticContact CE1-CD2 3.5Å; F142-F185 HydrophobicContact CE1-CD2 3.5Å; F142-F185 AromaticContact CE1-CE2 3.7Å; F142-F185 HydrophobicContact CE1-CE2 3.7Å; F142-F185 AromaticContact CE1-CG 3.97Å; F142-F185 HydrophobicContact CE1-CG 3.97Å; F142-F185 HydrophobicContact CE1-CZ 4.36Å; F142-F185 HydrophobicContact CZ-CB 4.14Å; F142-F185 AromaticContact CZ-CD2 3.99Å; F142-F185 HydrophobicContact CZ-CD2 3.99Å; F142-F185 HydrophobicContact CZ-CG 4.02Å; F142-F190 HydrophobicContact CE2-CZ 4.17Å; F142-F190 AromaticContact CZ-CZ 3.87Å; F142-F190 HydrophobicContact CZ-CZ 3.87Å
143	T	98.5	Very high	97.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.8	-177.6	-169.7	0	0	0	0	113.1	A112 Q145 V149 V162 L163 E164 V165	A112-T143 WeakPolarHBondContact O-CA 3.31Å; A112-T143 VanDerWaalsContact O-CB 3.29Å; A112-T143 WeakPolarHBondContact O-CB 3.44Å; A112-T143 PolarHBondContact O-OG1 2.94Å; T143-Q145 PolarHBondContact OG1-N 3.49Å; T143-Q145 VanDerWaalsContact OG1-N 3.09Å; T143-V149 HydrophobicContact CG2-CG2 3.84Å; T143-V162 HydrophobicContact CG2-CG1 3.53Å; T143-L163 PolarHBondContact N-O 3.06Å; T143-E164 CarbonylContact O-C 3.57Å; T143-E164 WeakPolarHBondContact O-CA 3.28Å; T143-V165 PolarHBondContact O-N 3.32Å
144	D	97.8	Very high	97.8	Very high	44 Å²	44	50.7 Å²	50.7	24%	0.235	28%	0.284	C	S	.	.	S	Bend	trans	-90.4	-1.2	167.2	66.5	-39.2	0	0	0	112.6	I113 K114 V165 A167	I113-D144 WeakPolarHBondContact CA-OD1 3.48Å; I113-D144 HydrophobicContact CD1-CB 4.43Å; K114-D144 PolarHBondContact N-OD1 3.18Å; D144-V165 WeakPolarHBondContact CA-O 3.35Å; D144-A167 HydrophobicContact CB-CB 3.81Å; D144-A167 WeakPolarHBondContact OD2-CB 3.1Å
145	Q	97.3	Very high	97.8	Very high	73 Å²	73	49.3 Å²	49.3	34%	0.341	27%	0.27	S	S	.	.			trans	-137.7	78	-172.7	-69.8	163.5	84.1	0	0	111	K114 V117 T143 A147 A148	K114-Q145 PolarHBondContact O-NE2 2.62Å; V117-Q145 HydrophobicContact CG1-CB 4.33Å; T143-Q145 PolarHBondContact OG1-N 3.49Å; T143-Q145 VanDerWaalsContact OG1-N 3.09Å; Q145-A147 VanDerWaalsContact C-N 3.27Å; Q145-A147 PolarHBondContact O-N 3.4Å; Q145-A148 HydrophobicContact CB-CB 3.8Å; Q145-A148 WeakPolarHBondContact O-CB 3.43Å; Q145-A148 PolarHBondContact O-N 2.9Å
146	L	95.9	Very high	97.8	Very high	86 Å²	86	55.8 Å²	55.8	45%	0.45	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-48	-45.9	179.9	-74.7	151.1	0	0	0	113.5	A148 V149 V162 E164	L146-A148 PolarHBondContact O-N 2.92Å; L146-V149 PolarHBondContact O-N 2.67Å; L146-V162 HydrophobicContact CD2-CB 4.17Å; L146-V162 HydrophobicContact CD2-CG1 3.69Å; L146-E164 HydrophobicContact CD1-CB 4.12Å; L146-E164 VanDerWaalsContact CD1-CD 3.48Å; L146-E164 HydrophobicContact CD1-CG 4.05Å; L146-E164 WeakPolarHBondContact CD1-OE2 3.32Å; L146-E164 HydrophobicContact CD2-CB 4.3Å; L146-E164 HydrophobicContact CG-CB 4.23Å; L146-E164 HydrophobicContact CG-CG 4.35Å
147	A	96.1	Very high	97.7	Very high	108 Å²	108	52.6 Å²	52.6	89%	0.893	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-71.8	-15.5	-177	0	0	0	0	0	114	Q145	Q145-A147 VanDerWaalsContact C-N 3.27Å; Q145-A147 PolarHBondContact O-N 3.4Å
148	A	96.7	Very high	97.7	Very high	40 Å²	40	53.8 Å²	53.8	33%	0.331	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-86.9	-8.8	179.4	0	0	0	0	0	113	V117 Q145 L146	V117-A148 HydrophobicContact CB-CB 4.02Å; V117-A148 HydrophobicContact CG1-CB 4.11Å; V117-A148 HydrophobicContact CG2-CB 3.95Å; Q145-A148 HydrophobicContact CB-CB 3.8Å; Q145-A148 WeakPolarHBondContact O-CB 3.43Å; Q145-A148 PolarHBondContact O-N 2.9Å; L146-A148 PolarHBondContact O-N 2.92Å
149	V	97.9	Very high	97.7	Very high	21 Å²	21	58.5 Å²	58.5	13%	0.127	34%	0.338	C	S	.	.	S	Bend	trans	-69.1	122.5	176.4	-178.4	0	0	0	0	109.3	L120 V141 T143 L146 L160 V162	L120-V149 HydrophobicContact CD1-CB 4.47Å; L120-V149 HydrophobicContact CD1-CG1 4.36Å; L120-V149 HydrophobicContact CD1-CG2 4.14Å; V141-V149 HydrophobicContact CG1-CG1 4.4Å; V141-V149 HydrophobicContact CG1-CG2 4.04Å; T143-V149 HydrophobicContact CG2-CG2 3.84Å; L146-V149 PolarHBondContact O-N 2.67Å; V149-L160 HydrophobicContact CG1-CD2 4.46Å; V149-V162 HydrophobicContact CB-CG2 4.2Å; V149-V162 HydrophobicContact CG1-CG2 3.95Å; V149-V162 HydrophobicContact CG2-CG1 3.75Å; V149-V162 HydrophobicContact CG2-CG2 4.06Å
150	P	96.9	Very high	97.7	Very high	34 Å²	34	61 Å²	61	22%	0.221	35%	0.351	C	S	.	.			trans	-69.7	145.8	-176	28.7	-34.6	0	0	0	111.3	L120 K121 L124 V152	L120-P150 HydrophobicContact CB-CG 3.84Å; K121-P150 HydrophobicContact CB-CB 4.13Å; K121-P150 HydrophobicContact CB-CG 4.01Å; K121-P150 HydrophobicContact CG-CB 4.42Å; L124-P150 HydrophobicContact CD1-CG 4.27Å; P150-V152 HydrophobicContact CB-CG2 4.25Å; P150-V152 HydrophobicContact CG-CG2 4.17Å; P150-V152 PolarHBondContact O-N 2.91Å
151	R	95.9	Very high	97.7	Very high	256 Å²	256	62.1 Å²	62.1	97%	0.966	36%	0.359	S	S	*	.			trans	-78.2	104.7	168.3	-65.8	-178.2	-178.5	170.3	0.3	108.8
152	V	97.2	Very high	97.6	Very high	28 Å²	28	64.5 Å²	64.5	17%	0.17	37%	0.373	C	S	.	.			trans	-108.5	136.6	176.9	-179.7	0	0	0	0	109.1	L124 E125 P150 L154	L124-V152 HydrophobicContact CB-CB 4.3Å; L124-V152 HydrophobicContact CB-CG1 4.22Å; L124-V152 HydrophobicContact CB-CG2 3.91Å; L124-V152 HydrophobicContact CD1-CG2 4.11Å; E125-V152 HydrophobicContact CG-CG1 3.9Å; E125-V152 HydrophobicContact CG-CG2 4.32Å; P150-V152 HydrophobicContact CB-CG2 4.25Å; P150-V152 HydrophobicContact CG-CG2 4.17Å; P150-V152 PolarHBondContact O-N 2.91Å; V152-L154 HydrophobicContact CG1-CD2 4.46Å; V152-L154 PolarHBondContact O-N 3.46Å
153	T	97.8	Very high	97.6	Very high	134 Å²	134	64.9 Å²	64.9	82%	0.822	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-68.6	123.1	173.8	-56.4	0	0	0	0	109.3
154	L	98.4	Very high	97.6	Very high	50 Å²	50	71.3 Å²	71.3	26%	0.262	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-103.7	141.4	178.1	-53	-178.8	0	0	0	110.6	E128 Y139 V152 R158 L160	E128-L154 HydrophobicContact CG-CD2 4.06Å; E128-L154 WeakPolarHBondContact OE2-CA 3.05Å; Y139-L154 HydrophobicContact CD2-CD1 4.44Å; Y139-L154 HydrophobicContact CD2-CD2 4.3Å; Y139-L154 HydrophobicContact CE2-CD2 3.95Å; V152-L154 HydrophobicContact CG1-CD2 4.46Å; V152-L154 PolarHBondContact O-N 3.46Å; L154-R158 HydrophobicContact CB-CB 4.32Å; L154-L160 HydrophobicContact CD1-CB 3.79Å
155	G	97.6	Very high	97.5	Very high	35 Å²	35	70.1 Å²	70.1	36%	0.361	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-66	164.6	172.3	0	0	0	0	0	112.9	E128 R158	E128-G155 PolarHBondContact OE2-N 2.9Å; G155-R158 VanDerWaalsContact O-CB 3.32Å; G155-R158 WeakPolarHBondContact O-CB 2.96Å; G155-R158 PolarHBondContact O-N 2.75Å
156	T	97.3	Very high	97.4	Very high	151 Å²	151	74.3 Å²	74.3	93%	0.926	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	138.8	178	-54.5	0	0	0	0	111.9	R158	T156-R158 PolarHBondContact O-N 2.73Å
157	G	97.4	Very high	97.4	Very high	41 Å²	41	72.2 Å²	72.2	42%	0.423	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	11.6	-179.4	0	0	0	0	0	114.1	R136 V137	R136-G157 WeakPolarHBondContact CA-O 3.31Å; V137-G157 PolarHBondContact N-O 3.3Å
158	R	98.8	Very high	97.3	Very high	27 Å²	27	68.2 Å²	68.2	10%	0.102	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.5	178.7	-48.3	176.3	72.7	89.5	-10.9	109.9	E128 F131 M132 V137 Y139 L154 G155 T156	E128-R158 IonicContact OE1-CZ 2.75Å; E128-R158 IonicContact OE1-NE 3.52Å; E128-R158 PolarHBondContact OE1-NE 2.93Å; E128-R158 IonicContact OE1-NH2 3.93Å; E128-R158 WeakPolarHBondContact OE2-CD 3.16Å; E128-R158 IonicContact OE2-NE 3.99Å; E128-R158 PolarHBondContact OE2-NE 3.32Å; F131-R158 PolarHBondContact O-NH1 2.85Å; F131-R158 PolarHBondContact O-NH2 3.37Å; M132-R158 PolarHBondContact O-NH1 3.13Å; V137-R158 HydrophobicContact CB-CG 4.29Å; V137-R158 CarbonylContact O-C 3.53Å; V137-R158 VanDerWaalsContact O-CA 3.27Å; V137-R158 WeakPolarHBondContact O-CA 3.3Å; Y139-R158 PolarHBondContact OH-NH2 3.09Å; L154-R158 HydrophobicContact CB-CB 4.32Å; G155-R158 VanDerWaalsContact O-CB 3.32Å; G155-R158 WeakPolarHBondContact O-CB 2.96Å; G155-R158 PolarHBondContact O-N 2.75Å; T156-R158 PolarHBondContact O-N 2.73Å
159	Q	98.6	Very high	97.1	Very high	101 Å²	101	75.6 Å²	75.6	47%	0.472	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.5	-178.9	65	-174.7	1.7	0	0	111.5	V137 H138 Y139	V137-Q159 PolarHBondContact O-N 3.2Å; H138-Q159 CarbonylContact C-O 3.52Å; H138-Q159 WeakPolarHBondContact CA-O 3.4Å; H138-Q159 HydrophobicContact CB-CG 4.19Å; H138-Q159 PolarHBondContact CE1-NE2 2.89Å; H138-Q159 PolarHBondContact ND1-NE2 3.35Å; Y139-Q159 WeakPolarHBondContact CD2-O 3.46Å; Y139-Q159 PolarHBondContact N-O 3.38Å
160	L	98.8	Very high	96.9	Very high	51 Å²	51	79.1 Å²	79.1	27%	0.267	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.2	180	-175.7	153.4	0	0	0	109.9	L124 Y139 V141 V149 L154 V162	L124-L160 HydrophobicContact CD1-CD1 3.72Å; L124-L160 HydrophobicContact CD2-CD1 3.89Å; L124-L160 HydrophobicContact CG-CD1 4.48Å; Y139-L160 HydrophobicContact CD2-CB 4.38Å; Y139-L160 CarbonylContact O-C 3.59Å; Y139-L160 WeakPolarHBondContact O-CA 3.41Å; V141-L160 HydrophobicContact CG2-CD1 3.91Å; V141-L160 HydrophobicContact CG2-CD2 4.22Å; V141-L160 HydrophobicContact CG2-CG 4.1Å; V149-L160 HydrophobicContact CG1-CD2 4.46Å; L154-L160 HydrophobicContact CD1-CB 3.79Å; L160-V162 HydrophobicContact CD2-CG2 3.64Å
161	S	98.5	Very high	96.7	Very high	24 Å²	24	80.3 Å²	80.3	17%	0.168	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131	169.9	-70.4	0	0	0	0	109.8	H138 Y139 Y140 V141	H138-S161 WeakPolarHBondContact NE2-CB 3.48Å; H138-S161 PolarHBondContact NE2-OG 2.82Å; Y139-S161 PolarHBondContact O-N 2.94Å; Y140-S161 WeakPolarHBondContact CA-O 3.24Å; V141-S161 PolarHBondContact N-O 3.11Å
162	V	98.4	Very high	96.7	Very high	50 Å²	50	70 Å²	70	30%	0.303	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.7	172.9	-170.1	0	0	0	0	108.4	V141 T143 L146 V149 L160	V141-V162 CarbonylContact O-C 3.54Å; V141-V162 WeakPolarHBondContact O-CA 3.39Å; T143-V162 HydrophobicContact CG2-CG1 3.53Å; L146-V162 HydrophobicContact CD2-CB 4.17Å; L146-V162 HydrophobicContact CD2-CG1 3.69Å; V149-V162 HydrophobicContact CB-CG2 4.2Å; V149-V162 HydrophobicContact CG1-CG2 3.95Å; V149-V162 HydrophobicContact CG2-CG1 3.75Å; V149-V162 HydrophobicContact CG2-CG2 4.06Å; L160-V162 HydrophobicContact CD2-CG2 3.64Å
163	L	98.1	Very high	96.6	Very high	9 Å²	9	70.2 Å²	70.2	5%	0.047	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	106.5	-176.9	-54.4	-179.7	0	0	0	108.1	Y140 V141 F142 T143 V165 F185	Y140-L163 HydrophobicContact CD1-CD1 4.06Å; Y140-L163 HydrophobicContact CG-CD1 4.43Å; V141-L163 PolarHBondContact O-N 3.43Å; F142-L163 WeakPolarHBondContact CA-O 3.36Å; F142-L163 HydrophobicContact CD1-CB 3.94Å; F142-L163 HydrophobicContact CD1-CD1 4.14Å; F142-L163 HydrophobicContact CD2-CD1 4.26Å; F142-L163 HydrophobicContact CE1-CB 4.17Å; F142-L163 HydrophobicContact CE1-CD1 3.65Å; F142-L163 HydrophobicContact CE2-CD1 3.77Å; F142-L163 HydrophobicContact CG-CB 4.31Å; F142-L163 HydrophobicContact CG-CD1 4.44Å; F142-L163 HydrophobicContact CZ-CD1 3.46Å; F142-L163 VanDerWaalsContact CZ-CD1 3.46Å; T143-L163 PolarHBondContact N-O 3.06Å; L163-V165 PolarHBondContact O-N 2.94Å; L163-F185 HydrophobicContact CB-CE1 4.26Å; L163-F185 HydrophobicContact CB-CZ 4.12Å; L163-F185 HydrophobicContact CD1-CD1 3.65Å; L163-F185 HydrophobicContact CD1-CE1 3.68Å; L163-F185 HydrophobicContact CD1-CG 4.17Å; L163-F185 HydrophobicContact CD1-CZ 4.18Å; L163-F185 HydrophobicContact CD2-CD1 4.32Å; L163-F185 HydrophobicContact CD2-CE1 3.71Å; L163-F185 HydrophobicContact CD2-CZ 4.37Å; L163-F185 HydrophobicContact CG-CE1 4.08Å; L163-F185 HydrophobicContact CG-CZ 4.45Å
164	E	97.6	Very high	96.4	Very high	134 Å²	134	65 Å²	65	63%	0.626	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.7	179.7	-170.7	177.1	-164.3	0	0	110.7	T143 L146	T143-E164 CarbonylContact O-C 3.57Å; T143-E164 WeakPolarHBondContact O-CA 3.28Å; L146-E164 HydrophobicContact CD1-CB 4.12Å; L146-E164 VanDerWaalsContact CD1-CD 3.48Å; L146-E164 HydrophobicContact CD1-CG 4.05Å; L146-E164 WeakPolarHBondContact CD1-OE2 3.32Å; L146-E164 HydrophobicContact CD2-CB 4.3Å; L146-E164 HydrophobicContact CG-CB 4.23Å; L146-E164 HydrophobicContact CG-CG 4.35Å
165	V	96.9	Very high	96.2	Very high	20 Å²	20	63.8 Å²	63.8	12%	0.121	33%	0.332	C	S	.	.			trans	-140.4	156.8	177.7	-66.7	0	0	0	0	111.4	I113 F142 T143 D144 L163 M181	I113-V165 HydrophobicContact CD1-CG2 3.56Å; F142-V165 HydrophobicContact CB-CG2 4.16Å; F142-V165 HydrophobicContact CD1-CG1 3.79Å; F142-V165 HydrophobicContact CE1-CG1 4.49Å; T143-V165 PolarHBondContact O-N 3.32Å; D144-V165 WeakPolarHBondContact CA-O 3.35Å; L163-V165 PolarHBondContact O-N 2.94Å; V165-M181 HydrophobicContact CB-CE 4.04Å; V165-M181 HydrophobicContact CB-SD 3.81Å; V165-M181 HydrophobicContact CG1-CG 4.48Å; V165-M181 HydrophobicContact CG1-SD 3.82Å; V165-M181 HydrophobicContact CG2-CE 4.39Å; V165-M181 HydrophobicContact CG2-SD 3.91Å
166	R	95.6	Very high	96.1	Very high	161 Å²	161	63 Å²	63	61%	0.608	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-66.4	141.5	177.2	58.7	178.2	-91	-178.6	-4.7	112.3	Y168 M181	R166-Y168 HydrophobicContact CG-CD2 4.34Å; R166-Y168 HydrophobicContact CG-CE2 3.8Å; R166-Y168 VanDerWaalsContact CZ-CE1 3.43Å; R166-Y168 PolarHBondContact NE-OH 3.47Å; R166-M181 HydrophobicContact CG-CE 4.34Å
167	A	95.4	Very high	96.2	Very high	41 Å²	41	57.5 Å²	57.5	34%	0.339	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-86	119.2	166.9	0	0	0	0	0	111.6	I113 K114 D144	I113-A167 HydrophobicContact CG2-CB 3.78Å; K114-A167 HydrophobicContact CG-CB 4.22Å; D144-A167 HydrophobicContact CB-CB 3.81Å; D144-A167 WeakPolarHBondContact OD2-CB 3.1Å
168	Y	93.9	Very high	96.2	Very high	24 Å²	24	56.2 Å²	56.2	9%	0.094	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-75.8	153.2	169.8	-72.2	-102.1	0	0	0	111.2	K114 R166 D173 R177 M181	K114-Y168 WeakPolarHBondContact CE-O 3.42Å; K114-Y168 PolarHBondContact NZ-O 3.26Å; R166-Y168 HydrophobicContact CG-CD2 4.34Å; R166-Y168 HydrophobicContact CG-CE2 3.8Å; R166-Y168 VanDerWaalsContact CZ-CE1 3.43Å; R166-Y168 PolarHBondContact NE-OH 3.47Å; Y168-D173 HydrophobicContact CD1-CB 3.83Å; Y168-D173 HydrophobicContact CG-CB 3.89Å; Y168-R177 HydrophobicContact CD1-CG 4.25Å; Y168-R177 HydrophobicContact CD2-CB 4.14Å; Y168-R177 HydrophobicContact CD2-CG 3.98Å; Y168-R177 HydrophobicContact CE1-CG 3.83Å; Y168-R177 HydrophobicContact CE2-CB 3.71Å; Y168-R177 HydrophobicContact CE2-CG 3.56Å; Y168-R177 HydrophobicContact CG-CG 4.32Å; Y168-R177 VanDerWaalsContact CZ-CG 3.47Å; Y168-R177 WeakPolarHBondContact OH-CD 3.39Å; Y168-M181 HydrophobicContact CD2-CE 4.43Å; Y168-M181 HydrophobicContact CE2-CE 3.8Å
169	K	92.6	Very high	96.2	Very high	195 Å²	195	55 Å²	55	85%	0.848	26%	0.259	S	S	*	.	S	Bend	trans	-68.8	-49.3	-175.5	-173.6	178.9	177.9	-177.4	0	112.4	K114	K114-K169 PolarHBondContact NZ-O 3.34Å
170	R	94.2	Very high	96.1	Very high	95 Å²	95	52.4 Å²	52.4	36%	0.358	25%	0.247	S	C	.	.	S	Bend	trans	-81.6	145.2	-179.4	-61.7	170	61.2	-135.7	6.1	110.3	Q172 D173 V174 E287	R170-Q172 VanDerWaalsContact C-N 3.25Å; R170-Q172 PolarHBondContact O-N 2.99Å; R170-D173 HydrophobicContact CB-CB 4.33Å; R170-D173 WeakPolarHBondContact CB-OD2 3.44Å; R170-D173 WeakPolarHBondContact CD-OD2 3.46Å; R170-D173 IonicContact CZ-OD1 3.58Å; R170-D173 IonicContact NH1-OD1 3.57Å; R170-D173 PolarHBondContact NH1-OD1 3.33Å; R170-D173 IonicContact NH1-OD2 3.27Å; R170-D173 PolarHBondContact O-N 2.96Å; R170-V174 WeakPolarHBondContact O-CG2 3.33Å; R170-V174 PolarHBondContact O-N 3.15Å; R170-E287 IonicContact CZ-OE1 2.67Å; R170-E287 IonicContact CZ-OE2 3.41Å; R170-E287 VanDerWaalsContact CZ-OE2 3.28Å; R170-E287 IonicContact NH1-OE1 3.68Å; R170-E287 IonicContact NH1-OE2 3.6Å; R170-E287 PolarHBondContact NH1-OE2 3.41Å; R170-E287 IonicContact NH2-OE1 3.6Å; R170-E287 PolarHBondContact NH2-OE1 2.85Å; R170-E287 IonicContact NH2-OE2 2.64Å; R170-E287 PolarHBondContact NH2-OE2 3.3Å
171	W	92.4	Very high	96.1	Very high	60 Å²	60	51 Å²	51	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	-67.9	-31.9	176.3	69.3	-97	0	0	0	111.2	D173 V174 S175 H291 R342	W171-D173 PolarHBondContact O-N 3.19Å; W171-V174 WeakPolarHBondContact O-CB 3.28Å; W171-V174 PolarHBondContact O-N 2.92Å; W171-S175 PolarHBondContact O-N 3.44Å; W171-H291 AromaticContact CH2-CE1 3.26Å; W171-H291 WeakPolarHBondContact CH2-CE1 3.23Å; W171-H291 AromaticContact CH2-ND1 3.68Å; W171-H291 AromaticContact CZ2-CE1 3.89Å; W171-H291 AromaticContact CZ3-CE1 3.9Å; W171-H291 AromaticContact CZ3-ND1 3.91Å; W171-R342 HydrophobicContact CB-CB 4.06Å; W171-R342 HydrophobicContact CB-CG 3.91Å; W171-R342 HydrophobicContact CG-CB 4.28Å; W171-R342 HydrophobicContact CG-CG 4.09Å
172	Q	94.6	Very high	96.1	Very high	38 Å²	38	50 Å²	50	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-55.7	-51.2	173	-62.7	90.6	-29	0	0	110.8	R170 V174 S175 M176 H291	R170-Q172 VanDerWaalsContact C-N 3.25Å; R170-Q172 PolarHBondContact O-N 2.99Å; Q172-V174 VanDerWaalsContact C-N 3.3Å; Q172-V174 PolarHBondContact O-N 3.23Å; Q172-S175 PolarHBondContact O-N 3.06Å; Q172-M176 HydrophobicContact CB-CE 4.22Å; Q172-M176 WeakPolarHBondContact O-CB 3.34Å; Q172-M176 VanDerWaalsContact O-CG 3.3Å; Q172-M176 WeakPolarHBondContact O-CG 3.24Å; Q172-M176 PolarHBondContact O-N 3.28Å; Q172-H291 VanDerWaalsContact CG-CD2 3.47Å; Q172-H291 WeakPolarHBondContact CG-CD2 2.82Å; Q172-H291 WeakPolarHBondContact CG-NE2 3.43Å
173	D	95.2	Very high	96.1	Very high	34 Å²	34	48 Å²	48	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-35.7	179.1	-59.6	-28.1	0	0	0	111.4	Y168 R170 W171 R177	Y168-D173 HydrophobicContact CD1-CB 3.83Å; Y168-D173 HydrophobicContact CG-CB 3.89Å; R170-D173 HydrophobicContact CB-CB 4.33Å; R170-D173 WeakPolarHBondContact CB-OD2 3.44Å; R170-D173 WeakPolarHBondContact CD-OD2 3.46Å; R170-D173 IonicContact CZ-OD1 3.58Å; R170-D173 IonicContact NH1-OD1 3.57Å; R170-D173 PolarHBondContact NH1-OD1 3.33Å; R170-D173 IonicContact NH1-OD2 3.27Å; R170-D173 PolarHBondContact O-N 2.96Å; W171-D173 PolarHBondContact O-N 3.19Å; D173-R177 WeakPolarHBondContact O-CB 3.48Å; D173-R177 WeakPolarHBondContact O-CG 3.41Å; D173-R177 PolarHBondContact O-N 2.95Å
174	V	93.6	Very high	96.1	Very high	25 Å²	25	50.1 Å²	50.1	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-46.5	174.2	171.8	0	0	0	0	110.5	I113 R170 W171 Q172 R178	I113-V174 HydrophobicContact CB-CG1 3.81Å; I113-V174 HydrophobicContact CG1-CG1 4.01Å; I113-V174 HydrophobicContact CG2-CG1 3.99Å; I113-V174 HydrophobicContact CG2-CG2 4.03Å; R170-V174 WeakPolarHBondContact O-CG2 3.33Å; R170-V174 PolarHBondContact O-N 3.15Å; W171-V174 WeakPolarHBondContact O-CB 3.28Å; W171-V174 PolarHBondContact O-N 2.92Å; Q172-V174 VanDerWaalsContact C-N 3.3Å; Q172-V174 PolarHBondContact O-N 3.23Å; V174-R178 WeakPolarHBondContact O-CG 3.28Å
175	S	93.9	Very high	96.1	Very high	23 Å²	23	45 Å²	45	16%	0.161	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-49.3	178	-166.6	0	0	0	0	112.2	W171 Q172 R177 R178 D292	W171-S175 PolarHBondContact O-N 3.44Å; Q172-S175 PolarHBondContact O-N 3.06Å; S175-R177 PolarHBondContact O-N 3.14Å; S175-R178 WeakPolarHBondContact O-CB 3.4Å; S175-R178 VanDerWaalsContact O-CG 3.25Å; S175-R178 WeakPolarHBondContact O-CG 3.46Å; S175-R178 PolarHBondContact O-N 3.45Å; S175-R178 PolarHBondContact O-NE 3.47Å; S175-R178 VanDerWaalsContact O-NE 3.11Å; S175-D292 WeakPolarHBondContact CB-OD1 3.27Å; S175-D292 PolarHBondContact OG-OD1 3.31Å; S175-D292 PolarHBondContact OG-OD2 3.18Å
176	M	97.4	Very high	96.2	Very high	20 Å²	20	44.1 Å²	44.1	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-39.6	-177.3	-72.8	-169.9	-61.9	0	0	113.1	Q172 R178 M179 M278 E287 H291	Q172-M176 HydrophobicContact CB-CE 4.22Å; Q172-M176 WeakPolarHBondContact O-CB 3.34Å; Q172-M176 VanDerWaalsContact O-CG 3.3Å; Q172-M176 WeakPolarHBondContact O-CG 3.24Å; Q172-M176 PolarHBondContact O-N 3.28Å; M176-R178 PolarHBondContact O-N 3.48Å; M176-M179 PolarHBondContact O-N 2.61Å; M176-M278 HydrophobicContact CB-CE 4.47Å; M176-M278 HydrophobicContact CB-SD 3.53Å; M176-M278 VanDerWaalsContact CB-SD 3.53Å; M176-M278 HydrophobicContact CG-SD 3.6Å; M176-M278 VanDerWaalsContact CG-SD 3.6Å; M176-M278 VanDerWaalsContact O-CE 3.31Å; M176-M278 WeakPolarHBondContact O-CE 2.86Å; M176-M278 HydrophobicContact SD-SD 3.94Å; M176-E287 HydrophobicContact CE-CG 4.27Å; M176-E287 WeakPolarHBondContact CE-OE2 3.47Å; M176-E287 HydrophobicContact SD-CG 4.2Å; M176-H291 HydrophobicContact CG-CB 3.71Å; M176-H291 HydrophobicContact SD-CB 4.11Å
177	R	97.6	Very high	96	Very high	35 Å²	35	42 Å²	42	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-74.7	-7.9	-174.8	-64.5	-77.1	177.3	-178.9	-4.2	113.3	Y168 D173 S175 M179 E180 M181 H275 M279	Y168-R177 HydrophobicContact CD1-CG 4.25Å; Y168-R177 HydrophobicContact CD2-CB 4.14Å; Y168-R177 HydrophobicContact CD2-CG 3.98Å; Y168-R177 HydrophobicContact CE1-CG 3.83Å; Y168-R177 HydrophobicContact CE2-CB 3.71Å; Y168-R177 HydrophobicContact CE2-CG 3.56Å; Y168-R177 HydrophobicContact CG-CG 4.32Å; Y168-R177 VanDerWaalsContact CZ-CG 3.47Å; Y168-R177 WeakPolarHBondContact OH-CD 3.39Å; D173-R177 WeakPolarHBondContact O-CB 3.48Å; D173-R177 WeakPolarHBondContact O-CG 3.41Å; D173-R177 PolarHBondContact O-N 2.95Å; S175-R177 PolarHBondContact O-N 3.14Å; R177-M179 PolarHBondContact O-N 2.97Å; R177-E180 WeakPolarHBondContact CD-OE2 3.34Å; R177-E180 IonicContact CZ-OE2 3.48Å; R177-E180 IonicContact NE-OE2 2.62Å; R177-E180 IonicContact NH1-OE2 2.63Å; R177-E180 PolarHBondContact NH1-OE2 3.08Å; R177-E180 WeakPolarHBondContact O-CB 3.44Å; R177-E180 PolarHBondContact O-N 3.23Å; R177-M181 HydrophobicContact CB-CE 4.25Å; R177-M181 WeakPolarHBondContact O-CG 3.5Å; R177-M181 PolarHBondContact O-N 2.81Å; R177-H275 PolarHBondContact NH1-CE1 2.72Å; R177-M279 PolarHBondContact NH1-SD 3.15Å; R177-M279 VanDerWaalsContact NH2-CE 3.31Å
178	R	97.8	Very high	96	Very high	14 Å²	14	47.6 Å²	47.6	5%	0.053	21%	0.211	C	C	.	.	H	α-helix	trans	-57.1	-38.7	169.4	-60.3	-173.9	-60.1	160.9	-2	111.7	F111 V174 S175 M176 E180 M181 I182 D201 G257 D292	F111-R178 HydrophobicContact CB-CG 4.25Å; F111-R178 HydrophobicContact CD1-CG 3.8Å; F111-R178 HydrophobicContact CD2-CB 4.11Å; F111-R178 HydrophobicContact CD2-CG 3.68Å; F111-R178 HydrophobicContact CE1-CB 4.29Å; F111-R178 HydrophobicContact CE1-CG 4.04Å; F111-R178 HydrophobicContact CE2-CB 3.84Å; F111-R178 HydrophobicContact CE2-CG 3.92Å; F111-R178 HydrophobicContact CG-CB 4.45Å; F111-R178 HydrophobicContact CG-CG 3.62Å; F111-R178 HydrophobicContact CZ-CB 3.94Å; F111-R178 HydrophobicContact CZ-CG 4.09Å; V174-R178 WeakPolarHBondContact O-CG 3.28Å; S175-R178 WeakPolarHBondContact O-CB 3.4Å; S175-R178 VanDerWaalsContact O-CG 3.25Å; S175-R178 WeakPolarHBondContact O-CG 3.46Å; S175-R178 PolarHBondContact O-N 3.45Å; S175-R178 PolarHBondContact O-NE 3.47Å; S175-R178 VanDerWaalsContact O-NE 3.11Å; M176-R178 PolarHBondContact O-N 3.48Å; R178-E180 PolarHBondContact O-N 3.41Å; R178-M181 PolarHBondContact O-N 3.32Å; R178-I182 HydrophobicContact CB-CD1 4.4Å; R178-I182 WeakPolarHBondContact O-CB 3.23Å; R178-I182 WeakPolarHBondContact O-CD1 3.48Å; R178-I182 WeakPolarHBondContact O-CG1 3.26Å; R178-I182 PolarHBondContact O-N 3.41Å; R178-D201 IonicContact CZ-OD1 2.69Å; R178-D201 IonicContact NH1-OD1 3.68Å; R178-D201 PolarHBondContact NH1-OD1 2.86Å; R178-D201 IonicContact NH2-OD1 3.71Å; R178-D201 PolarHBondContact NH2-OD1 3.41Å; R178-G257 PolarHBondContact NH2-O 3.36Å; R178-D292 IonicContact CZ-OD2 2.89Å; R178-D292 IonicContact NE-OD2 3.76Å; R178-D292 IonicContact NH2-OD2 2.8Å; R178-D292 PolarHBondContact NH2-OD2 3.39Å
179	M	98.3	Very high	96.1	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-44.9	178.8	-63.4	-64.9	178.3	0	0	111.7	M176 R177 S183 F260 L270 T271 C274 H275 M278 D292	M176-M179 PolarHBondContact O-N 2.61Å; R177-M179 PolarHBondContact O-N 2.97Å; M179-S183 WeakPolarHBondContact O-CB 3.47Å; M179-S183 PolarHBondContact O-N 2.8Å; M179-S183 VanDerWaalsContact O-N 3.09Å; M179-S183 PolarHBondContact O-OG 2.99Å; M179-F260 HydrophobicContact CE-CE1 4.05Å; M179-F260 HydrophobicContact CE-CZ 4.01Å; M179-F260 HydrophobicContact SD-CZ 4.12Å; M179-L270 HydrophobicContact CE-CD2 4.5Å; M179-L270 HydrophobicContact SD-CD2 4.13Å; M179-T271 WeakPolarHBondContact O-CB 3.5Å; M179-T271 HydrophobicContact SD-CG2 3.82Å; M179-C274 HydrophobicContact CB-CB 4.34Å; M179-C274 HydrophobicContact CG-CB 3.94Å; M179-C274 HydrophobicContact SD-CB 4.01Å; M179-H275 HydrophobicContact CB-CB 4.19Å; M179-M278 HydrophobicContact CB-CE 3.63Å; M179-M278 HydrophobicContact CG-CE 3.52Å; M179-D292 HydrophobicContact CE-CB 3.91Å; M179-D292 HydrophobicContact CG-CB 4.29Å
180	E	98.4	Very high	96.3	Very high	47 Å²	47	40.5 Å²	40.5	22%	0.22	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-53.9	174.5	-174.7	179.7	177.9	0	0	110.7	R177 R178 I182 S183 D184 H275	R177-E180 WeakPolarHBondContact CD-OE2 3.34Å; R177-E180 IonicContact CZ-OE2 3.48Å; R177-E180 IonicContact NE-OE2 2.62Å; R177-E180 IonicContact NH1-OE2 2.63Å; R177-E180 PolarHBondContact NH1-OE2 3.08Å; R177-E180 WeakPolarHBondContact O-CB 3.44Å; R177-E180 PolarHBondContact O-N 3.23Å; R178-E180 PolarHBondContact O-N 3.41Å; E180-I182 PolarHBondContact O-N 3.46Å; E180-S183 PolarHBondContact O-N 2.62Å; E180-S183 VanDerWaalsContact O-N 3.13Å; E180-S183 PolarHBondContact O-OG 3.14Å; E180-D184 PolarHBondContact O-N 3.04Å; E180-H275 IonicContact OE2-CE1 3.42Å; E180-H275 PolarHBondContact OE2-CE1 2.68Å
181	M	98.3	Very high	96.4	Very high	22 Å²	22	40.8 Å²	40.8	11%	0.108	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-42.2	-175.4	-65.8	176.7	-172	0	0	112.4	F111 F142 V165 R166 Y168 R177 R178 S183 D184 F185	F111-M181 HydrophobicContact CD1-SD 4.32Å; F111-M181 HydrophobicContact CE1-CB 3.86Å; F111-M181 HydrophobicContact CE1-CG 4.35Å; F111-M181 HydrophobicContact CE1-SD 3.58Å; F111-M181 VanDerWaalsContact CE1-SD 3.58Å; F111-M181 HydrophobicContact CZ-CB 3.89Å; F142-M181 HydrophobicContact CD1-CB 4.45Å; F142-M181 HydrophobicContact CE1-CB 4.19Å; V165-M181 HydrophobicContact CB-CE 4.04Å; V165-M181 HydrophobicContact CB-SD 3.81Å; V165-M181 HydrophobicContact CG1-CG 4.48Å; V165-M181 HydrophobicContact CG1-SD 3.82Å; V165-M181 HydrophobicContact CG2-CE 4.39Å; V165-M181 HydrophobicContact CG2-SD 3.91Å; R166-M181 HydrophobicContact CG-CE 4.34Å; Y168-M181 HydrophobicContact CD2-CE 4.43Å; Y168-M181 HydrophobicContact CE2-CE 3.8Å; R177-M181 HydrophobicContact CB-CE 4.25Å; R177-M181 WeakPolarHBondContact O-CG 3.5Å; R177-M181 PolarHBondContact O-N 2.81Å; R178-M181 PolarHBondContact O-N 3.32Å; M181-S183 VanDerWaalsContact C-N 3.35Å; M181-D184 PolarHBondContact O-N 3.3Å; M181-F185 VanDerWaalsContact O-CD2 3.28Å; M181-F185 WeakPolarHBondContact O-CD2 3.09Å; M181-F185 PolarHBondContact O-N 3.04Å; M181-F185 VanDerWaalsContact O-N 3.08Å
182	I	98.6	Very high	96.7	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-45.8	175	-65.4	160.9	0	0	0	109.7	F111 R178 E180 D184 F185 C186 F190 C199 F260 V267 T271	F111-I182 HydrophobicContact CE2-CD1 3.93Å; F111-I182 HydrophobicContact CE2-CG1 3.78Å; F111-I182 HydrophobicContact CZ-CD1 4.44Å; F111-I182 HydrophobicContact CZ-CG1 3.91Å; R178-I182 HydrophobicContact CB-CD1 4.4Å; R178-I182 WeakPolarHBondContact O-CB 3.23Å; R178-I182 WeakPolarHBondContact O-CD1 3.48Å; R178-I182 WeakPolarHBondContact O-CG1 3.26Å; R178-I182 PolarHBondContact O-N 3.41Å; E180-I182 PolarHBondContact O-N 3.46Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 2.99Å; I182-F185 PolarHBondContact O-N 3.2Å; I182-C186 PolarHBondContact O-N 3.41Å; I182-C186 PolarHBondContact O-SG 2.78Å; I182-C186 VanDerWaalsContact O-SG 3.32Å; I182-F190 HydrophobicContact CG2-CE2 4.37Å; I182-C199 HydrophobicContact CD1-CB 4.21Å; I182-F260 HydrophobicContact CD1-CZ 4.16Å; I182-V267 HydrophobicContact CG2-CG1 3.81Å; I182-T271 HydrophobicContact CB-CG2 4.02Å; I182-T271 HydrophobicContact CD1-CG2 4.39Å; I182-T271 HydrophobicContact CG2-CG2 3.8Å
183	S	98.1	Very high	96.9	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-37.6	-178.5	78.7	0	0	0	0	113	M179 E180 M181 C186 T271	M179-S183 WeakPolarHBondContact O-CB 3.47Å; M179-S183 PolarHBondContact O-N 2.8Å; M179-S183 VanDerWaalsContact O-N 3.09Å; M179-S183 PolarHBondContact O-OG 2.99Å; E180-S183 PolarHBondContact O-N 2.62Å; E180-S183 VanDerWaalsContact O-N 3.13Å; E180-S183 PolarHBondContact O-OG 3.14Å; M181-S183 VanDerWaalsContact C-N 3.35Å; S183-C186 WeakPolarHBondContact O-CB 3.42Å; S183-T271 WeakPolarHBondContact CB-OG1 3.45Å
184	D	97.9	Very high	97	Very high	54 Å²	54	42.5 Å²	42.5	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-64.3	-46.3	174.4	-87.3	10.7	0	0	0	111.3	E180 M181 I182 C186 E187 R188	E180-D184 PolarHBondContact O-N 3.04Å; M181-D184 PolarHBondContact O-N 3.3Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 2.99Å; D184-C186 VanDerWaalsContact C-N 3.32Å; D184-C186 PolarHBondContact O-N 2.75Å; D184-E187 PolarHBondContact O-N 2.81Å; D184-R188 VanDerWaalsContact O-CG 3.32Å; D184-R188 WeakPolarHBondContact O-CG 3.21Å; D184-R188 PolarHBondContact O-N 2.63Å; D184-R188 VanDerWaalsContact O-N 3.14Å; D184-R188 IonicContact OD2-CZ 3.28Å; D184-R188 IonicContact OD2-NH2 2.94Å; D184-R188 PolarHBondContact OD2-NH2 2.67Å
185	F	98.4	Very high	97.3	Very high	27 Å²	27	45.1 Å²	45.1	12%	0.118	22%	0.221	C	C	.	.	H	α-helix	trans	-76.4	-18.7	-177.9	-83.2	-93.4	0	0	0	113.5	F142 L163 M181 I182 E187 R188 R189 F190	F142-F185 AromaticContact CE1-CD2 3.5Å; F142-F185 HydrophobicContact CE1-CD2 3.5Å; F142-F185 AromaticContact CE1-CE2 3.7Å; F142-F185 HydrophobicContact CE1-CE2 3.7Å; F142-F185 AromaticContact CE1-CG 3.97Å; F142-F185 HydrophobicContact CE1-CG 3.97Å; F142-F185 HydrophobicContact CE1-CZ 4.36Å; F142-F185 HydrophobicContact CZ-CB 4.14Å; F142-F185 AromaticContact CZ-CD2 3.99Å; F142-F185 HydrophobicContact CZ-CD2 3.99Å; F142-F185 HydrophobicContact CZ-CG 4.02Å; L163-F185 HydrophobicContact CB-CE1 4.26Å; L163-F185 HydrophobicContact CB-CZ 4.12Å; L163-F185 HydrophobicContact CD1-CD1 3.65Å; L163-F185 HydrophobicContact CD1-CE1 3.68Å; L163-F185 HydrophobicContact CD1-CG 4.17Å; L163-F185 HydrophobicContact CD1-CZ 4.18Å; L163-F185 HydrophobicContact CD2-CD1 4.32Å; L163-F185 HydrophobicContact CD2-CE1 3.71Å; L163-F185 HydrophobicContact CD2-CZ 4.37Å; L163-F185 HydrophobicContact CG-CE1 4.08Å; L163-F185 HydrophobicContact CG-CZ 4.45Å; M181-F185 VanDerWaalsContact O-CD2 3.28Å; M181-F185 WeakPolarHBondContact O-CD2 3.09Å; M181-F185 PolarHBondContact O-N 3.04Å; M181-F185 VanDerWaalsContact O-N 3.08Å; I182-F185 PolarHBondContact O-N 3.2Å; F185-E187 VanDerWaalsContact C-N 3.28Å; F185-E187 PolarHBondContact O-N 2.82Å; F185-R188 PolarHBondContact O-N 3.44Å; F185-R189 HydrophobicContact CD1-CG 4.2Å; F185-R189 PolarHBondContact O-N 3.11Å; F185-F190 HydrophobicContact CB-CD2 4.07Å; F185-F190 HydrophobicContact CB-CE1 4Å; F185-F190 HydrophobicContact CB-CE2 3.4Å; F185-F190 VanDerWaalsContact CB-CE2 3.4Å; F185-F190 HydrophobicContact CB-CZ 3.39Å; F185-F190 HydrophobicContact CG-CZ 4.33Å; F185-F190 WeakPolarHBondContact O-CD2 3.29Å; F185-F190 WeakPolarHBondContact O-CG 3.11Å; F185-F190 PolarHBondContact O-N 3.01Å
186	C	97.6	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-54.7	-47.6	165.7	-74.5	0	0	0	0	111	I182 S183 D184 F190 L191 V264 Q268	I182-C186 PolarHBondContact O-N 3.41Å; I182-C186 PolarHBondContact O-SG 2.78Å; I182-C186 VanDerWaalsContact O-SG 3.32Å; S183-C186 WeakPolarHBondContact O-CB 3.42Å; D184-C186 VanDerWaalsContact C-N 3.32Å; D184-C186 PolarHBondContact O-N 2.75Å; C186-F190 HydrophobicContact CB-CD2 4.3Å; C186-F190 VanDerWaalsContact N-CD2 3.29Å; C186-L191 WeakPolarHBondContact O-CB 3.39Å; C186-L191 VanDerWaalsContact O-CG 3.24Å; C186-L191 WeakPolarHBondContact O-CG 3.14Å; C186-L191 PolarHBondContact O-N 2.84Å; C186-L191 VanDerWaalsContact O-N 3.15Å; C186-V264 HydrophobicContact CB-CG1 4.19Å; C186-Q268 HydrophobicContact CB-CB 3.79Å; C186-Q268 HydrophobicContact CB-CG 3.81Å
187	E	92.6	Very high	97.6	Very high	116 Å²	116	45 Å²	45	54%	0.542	22%	0.216	S	C	.	.	I	π-helix	trans	-73.8	-40.3	179.5	-64.3	-172.1	166.6	0	0	112.7	D184 F185 Q268 R272	D184-E187 PolarHBondContact O-N 2.81Å; F185-E187 VanDerWaalsContact C-N 3.28Å; F185-E187 PolarHBondContact O-N 2.82Å; E187-Q268 PolarHBondContact OE1-NE2 3.29Å; E187-Q268 VanDerWaalsContact OE1-NE2 3.14Å; E187-R272 IonicContact OE1-CZ 3.49Å; E187-R272 IonicContact OE1-NH1 3.75Å; E187-R272 IonicContact OE1-NH2 2.7Å; E187-R272 PolarHBondContact OE1-NH2 3.05Å
188	R	94.2	Very high	97.6	Very high	159 Å²	159	43.3 Å²	43.3	60%	0.6	21%	0.21	S	C	*	.	I	π-helix	trans	-76.3	-32.5	-173.3	-65	173.4	-167.1	-177.8	11.6	113.5	D184 F185	D184-R188 VanDerWaalsContact O-CG 3.32Å; D184-R188 WeakPolarHBondContact O-CG 3.21Å; D184-R188 PolarHBondContact O-N 2.63Å; D184-R188 VanDerWaalsContact O-N 3.14Å; D184-R188 IonicContact OD2-CZ 3.28Å; D184-R188 IonicContact OD2-NH2 2.94Å; D184-R188 PolarHBondContact OD2-NH2 2.67Å; F185-R188 PolarHBondContact O-N 3.44Å
189	R	95.8	Very high	97.7	Very high	71 Å²	71	42.8 Å²	42.8	27%	0.268	21%	0.209	S	C	.	.	I	π-helix	trans	-141.1	-56.5	-169.8	-64	-164.1	71.1	163.4	0.8	113.6	F185 L191 S192 E193	F185-R189 HydrophobicContact CD1-CG 4.2Å; F185-R189 PolarHBondContact O-N 3.11Å; R189-L191 VanDerWaalsContact C-N 3.32Å; R189-L191 PolarHBondContact O-N 3.5Å; R189-S192 PolarHBondContact O-N 3.39Å; R189-S192 PolarHBondContact O-OG 3.32Å; R189-E193 IonicContact CZ-OE1 2.83Å; R189-E193 VanDerWaalsContact CZ-OE1 3.28Å; R189-E193 IonicContact CZ-OE2 3.5Å; R189-E193 IonicContact NE-OE1 3.15Å; R189-E193 PolarHBondContact NE-OE1 3.12Å; R189-E193 IonicContact NE-OE2 3.77Å; R189-E193 PolarHBondContact NE-OE2 3.31Å; R189-E193 IonicContact NH2-OE1 3.45Å; R189-E193 PolarHBondContact NH2-OE1 2.82Å; R189-E193 IonicContact NH2-OE2 2.73Å; R189-E193 PolarHBondContact O-N 3.22Å
190	F	98.1	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-61.9	-38.1	-161.1	-50.2	-35.9	0	0	0	113	T109 Y140 F142 I182 F185 C186 S192 E193 V194 L197 V264	T109-F190 HydrophobicContact CG2-CE2 4.15Å; T109-F190 HydrophobicContact CG2-CZ 3.88Å; Y140-F190 HydrophobicContact CD1-CD1 4.31Å; Y140-F190 AromaticContact CD1-CE1 3.6Å; Y140-F190 HydrophobicContact CD1-CE1 3.6Å; Y140-F190 HydrophobicContact CD2-CD1 4.04Å; Y140-F190 AromaticContact CD2-CE1 3.56Å; Y140-F190 HydrophobicContact CD2-CE1 3.56Å; Y140-F190 HydrophobicContact CD2-CZ 4.28Å; Y140-F190 AromaticContact CE1-CD1 3.92Å; Y140-F190 HydrophobicContact CE1-CD1 3.92Å; Y140-F190 AromaticContact CE1-CE1 3.67Å; Y140-F190 HydrophobicContact CE1-CE1 3.67Å; Y140-F190 AromaticContact CE2-CD1 3.64Å; Y140-F190 HydrophobicContact CE2-CD1 3.64Å; Y140-F190 AromaticContact CE2-CE1 3.64Å; Y140-F190 HydrophobicContact CE2-CE1 3.64Å; Y140-F190 HydrophobicContact CG-CD1 4.34Å; Y140-F190 AromaticContact CG-CE1 3.51Å; Y140-F190 HydrophobicContact CG-CE1 3.51Å; Y140-F190 HydrophobicContact CG-CZ 4.19Å; Y140-F190 AromaticContact CZ-CD1 3.55Å; Y140-F190 AromaticContact CZ-CE1 3.69Å; F142-F190 HydrophobicContact CE2-CZ 4.17Å; F142-F190 AromaticContact CZ-CZ 3.87Å; F142-F190 HydrophobicContact CZ-CZ 3.87Å; I182-F190 HydrophobicContact CG2-CE2 4.37Å; F185-F190 HydrophobicContact CB-CD2 4.07Å; F185-F190 HydrophobicContact CB-CE1 4Å; F185-F190 HydrophobicContact CB-CE2 3.4Å; F185-F190 VanDerWaalsContact CB-CE2 3.4Å; F185-F190 HydrophobicContact CB-CZ 3.39Å; F185-F190 HydrophobicContact CG-CZ 4.33Å; F185-F190 WeakPolarHBondContact O-CD2 3.29Å; F185-F190 WeakPolarHBondContact O-CG 3.11Å; F185-F190 PolarHBondContact O-N 3.01Å; C186-F190 HydrophobicContact CB-CD2 4.3Å; C186-F190 VanDerWaalsContact N-CD2 3.29Å; F190-S192 PolarHBondContact O-N 2.83Å; F190-E193 PolarHBondContact O-N 3.02Å; F190-E193 VanDerWaalsContact O-N 3.08Å; F190-V194 HydrophobicContact CB-CG2 4.08Å; F190-V194 PolarHBondContact O-N 2.82Å; F190-L197 HydrophobicContact CB-CD1 3.88Å; F190-L197 HydrophobicContact CB-CD2 4.23Å; F190-L197 HydrophobicContact CB-CG 4.37Å; F190-L197 HydrophobicContact CD1-CD2 4.25Å; F190-L197 HydrophobicContact CD2-CD1 3.42Å; F190-L197 VanDerWaalsContact CD2-CD1 3.42Å; F190-L197 HydrophobicContact CD2-CD2 3.9Å; F190-L197 HydrophobicContact CD2-CG 4.29Å; F190-L197 HydrophobicContact CE2-CD1 4.16Å; F190-L197 HydrophobicContact CE2-CD2 4.25Å; F190-L197 HydrophobicContact CG-CD1 3.89Å; F190-L197 HydrophobicContact CG-CD2 3.89Å; F190-L197 HydrophobicContact CG-CG 4.42Å; F190-V264 HydrophobicContact CB-CG1 3.88Å; F190-V264 HydrophobicContact CB-CG2 4.28Å
191	L	96.3	Very high	97.6	Very high	100 Å²	100	41.2 Å²	41.2	52%	0.524	20%	0.202	S	C	.	.	H	α-helix	trans	-57.4	-24.2	177.4	-79.2	170.7	0	0	0	114	C186 R189 V264	C186-L191 WeakPolarHBondContact O-CB 3.39Å; C186-L191 VanDerWaalsContact O-CG 3.24Å; C186-L191 WeakPolarHBondContact O-CG 3.14Å; C186-L191 PolarHBondContact O-N 2.84Å; C186-L191 VanDerWaalsContact O-N 3.15Å; R189-L191 VanDerWaalsContact C-N 3.32Å; R189-L191 PolarHBondContact O-N 3.5Å; L191-V264 HydrophobicContact CB-CG1 4.43Å; L191-V264 HydrophobicContact CD2-CB 4.07Å; L191-V264 HydrophobicContact CD2-CG1 3.61Å; L191-V264 HydrophobicContact CG-CG1 3.72Å
192	S	97.4	Very high	97.3	Very high	101 Å²	101	41 Å²	41	71%	0.706	20%	0.2	S	C	*	.	H	α-helix	trans	-102.2	-10.8	-179.8	64.4	0	0	0	0	114.1	R189 F190	R189-S192 PolarHBondContact O-N 3.39Å; R189-S192 PolarHBondContact O-OG 3.32Å; F190-S192 PolarHBondContact O-N 2.83Å
193	E	98.5	Very high	97.1	Very high	58 Å²	58	41.4 Å²	41.4	27%	0.271	20%	0.202	S	C	.	.	H	α-helix	trans	-115.5	-31.5	-169.2	-69.3	-178.5	174.1	0	0	113.3	H138 Y140 R189 F190	H138-E193 IonicContact CE1-OE2 3.54Å; H138-E193 PolarHBondContact CE1-OE2 3.1Å; H138-E193 VanDerWaalsContact CE1-OE2 3.25Å; H138-E193 IonicContact ND1-OE2 2.93Å; Y140-E193 WeakPolarHBondContact CE1-OE2 3.47Å; Y140-E193 VanDerWaalsContact CZ-OE2 3.28Å; Y140-E193 VanDerWaalsContact OH-CB 3.26Å; Y140-E193 WeakPolarHBondContact OH-CB 3.2Å; Y140-E193 PolarHBondContact OH-OE2 3.31Å; R189-E193 IonicContact CZ-OE1 2.83Å; R189-E193 VanDerWaalsContact CZ-OE1 3.28Å; R189-E193 IonicContact CZ-OE2 3.5Å; R189-E193 IonicContact NE-OE1 3.15Å; R189-E193 PolarHBondContact NE-OE1 3.12Å; R189-E193 IonicContact NE-OE2 3.77Å; R189-E193 PolarHBondContact NE-OE2 3.31Å; R189-E193 IonicContact NH2-OE1 3.45Å; R189-E193 PolarHBondContact NH2-OE1 2.82Å; R189-E193 IonicContact NH2-OE2 2.73Å; R189-E193 PolarHBondContact O-N 3.22Å; F190-E193 PolarHBondContact O-N 3.02Å; F190-E193 VanDerWaalsContact O-N 3.08Å
194	V	98.8	Very high	97	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.055	20%	0.203	C	C	.	.			trans	-140.9	153.8	-172.6	-55.2	0	0	0	0	112.1	T105 H138 Y140 F190 L197 V264	T105-V194 HydrophobicContact CG2-CB 4.42Å; T105-V194 HydrophobicContact CG2-CG1 3.94Å; H138-V194 HydrophobicContact CB-CG1 3.94Å; Y140-V194 HydrophobicContact CE2-CG1 4.1Å; F190-V194 HydrophobicContact CB-CG2 4.08Å; F190-V194 PolarHBondContact O-N 2.82Å; V194-L197 HydrophobicContact CG2-CD2 3.98Å; V194-L197 HydrophobicContact CG2-CG 4.13Å; V194-V264 HydrophobicContact CG2-CG2 3.77Å; V194-V264 VanDerWaalsContact O-CG2 3.24Å; V194-V264 WeakPolarHBondContact O-CG2 3.13Å
195	D	98.7	Very high	97	Very high	80 Å²	80	40.6 Å²	40.6	43%	0.428	20%	0.196	S	C	.	.	S	Bend	trans	-87.5	-39.1	177.9	-55	-63.4	0	0	0	111.3	T104 T105 V264	T104-D195 WeakPolarHBondContact CA-OD2 3.35Å; T104-D195 HydrophobicContact CG2-CB 4.3Å; T105-D195 PolarHBondContact N-OD2 2.92Å; T105-D195 PolarHBondContact O-N 3.45Å; D195-V264 PolarHBondContact O-N 3.44Å
196	Y	98.9	Very high	97.1	Very high	41 Å²	41	39.5 Å²	39.5	16%	0.161	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.7	-179	-63.8	-87.8	0	0	0	111.1	F99 T104 T105 G107 L215 T216 G262	F99-Y196 HydrophobicContact CE1-CE2 4.06Å; T104-Y196 HydrophobicContact CG2-CD2 3.67Å; T104-Y196 HydrophobicContact CG2-CE2 3.87Å; T105-Y196 PolarHBondContact O-N 3.21Å; G107-Y196 PolarHBondContact N-O 3.43Å; Y196-L215 HydrophobicContact CD1-CB 4.35Å; Y196-L215 HydrophobicContact CD1-CD2 4.4Å; Y196-L215 HydrophobicContact CD2-CD1 4.09Å; Y196-L215 HydrophobicContact CD2-CD2 4.42Å; Y196-L215 HydrophobicContact CE1-CB 4.43Å; Y196-L215 HydrophobicContact CE2-CD1 4.49Å; Y196-L215 HydrophobicContact CG-CB 4.41Å; Y196-L215 HydrophobicContact CG-CD1 4.46Å; Y196-L215 HydrophobicContact CG-CD2 3.97Å; Y196-T216 WeakPolarHBondContact CE1-O 3.39Å; Y196-G262 CarbonylContact C-O 3.47Å; Y196-G262 VanDerWaalsContact CA-O 3.26Å; Y196-G262 WeakPolarHBondContact CA-O 3.39Å
197	L	98.9	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.8	169.9	-76	164.8	0	0	0	110.3	G107 T109 Y140 F190 V194 G261 G262 V264 V267	G107-L197 CarbonylContact O-C 3.6Å; G107-L197 WeakPolarHBondContact O-CA 3.04Å; T109-L197 HydrophobicContact CG2-CD2 3.89Å; Y140-L197 HydrophobicContact CE2-CD2 4.48Å; F190-L197 HydrophobicContact CB-CD1 3.88Å; F190-L197 HydrophobicContact CB-CD2 4.23Å; F190-L197 HydrophobicContact CB-CG 4.37Å; F190-L197 HydrophobicContact CD1-CD2 4.25Å; F190-L197 HydrophobicContact CD2-CD1 3.42Å; F190-L197 VanDerWaalsContact CD2-CD1 3.42Å; F190-L197 HydrophobicContact CD2-CD2 3.9Å; F190-L197 HydrophobicContact CD2-CG 4.29Å; F190-L197 HydrophobicContact CE2-CD1 4.16Å; F190-L197 HydrophobicContact CE2-CD2 4.25Å; F190-L197 HydrophobicContact CG-CD1 3.89Å; F190-L197 HydrophobicContact CG-CD2 3.89Å; F190-L197 HydrophobicContact CG-CG 4.42Å; V194-L197 HydrophobicContact CG2-CD2 3.98Å; V194-L197 HydrophobicContact CG2-CG 4.13Å; L197-G261 CarbonylContact O-C 3.56Å; L197-G261 WeakPolarHBondContact O-CA 3.25Å; L197-G262 PolarHBondContact N-O 3.26Å; L197-G262 PolarHBondContact O-N 2.61Å; L197-V264 HydrophobicContact CD1-CB 4.38Å; L197-V264 HydrophobicContact CD1-CG1 4.1Å; L197-V264 HydrophobicContact CD1-CG2 4.13Å; L197-V264 HydrophobicContact CG-CG2 4.13Å; L197-V267 HydrophobicContact CB-CB 4.32Å; L197-V267 HydrophobicContact CB-CG1 4.2Å; L197-V267 HydrophobicContact CB-CG2 4.04Å; L197-V267 HydrophobicContact CD1-CB 4.24Å; L197-V267 HydrophobicContact CD1-CG1 3.97Å
198	V	98.9	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.1	168.6	178.6	0	0	0	0	107.3	I106 G107 L108 T109 F131 V200 I214 F219 F259	I106-V198 HydrophobicContact CG2-CG2 3.96Å; G107-V198 PolarHBondContact O-N 2.79Å; L108-V198 WeakPolarHBondContact CA-O 3.26Å; L108-V198 HydrophobicContact CD1-CB 3.83Å; L108-V198 HydrophobicContact CD1-CG1 3.65Å; T109-V198 PolarHBondContact N-O 3.11Å; F131-V198 HydrophobicContact CE2-CB 4.35Å; F131-V198 HydrophobicContact CE2-CG1 4.18Å; F131-V198 HydrophobicContact CE2-CG2 4.25Å; F131-V198 HydrophobicContact CZ-CB 4.11Å; F131-V198 HydrophobicContact CZ-CG1 4.41Å; F131-V198 HydrophobicContact CZ-CG2 4.03Å; V198-V200 HydrophobicContact CG1-CG1 3.89Å; V198-I214 HydrophobicContact CG2-CD1 4Å; V198-F219 HydrophobicContact CG1-CZ 4.35Å; V198-F219 HydrophobicContact CG2-CE1 4.44Å; V198-F219 HydrophobicContact CG2-CZ 4.19Å; V198-F259 HydrophobicContact CG1-CD1 4.19Å; V198-F259 HydrophobicContact CG1-CE1 3.51Å; V198-F259 HydrophobicContact CG1-CZ 4.14Å
199	C	98.8	Very high	97.6	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.8	-175.7	-57.9	0	0	0	0	109.1	T109 I182 F259 F260	T109-C199 WeakPolarHBondContact OG1-CA 3.5Å; T109-C199 WeakPolarHBondContact OG1-CB 3.26Å; T109-C199 PolarHBondContact OG1-SG 3.37Å; I182-C199 HydrophobicContact CD1-CB 4.21Å; C199-F259 WeakPolarHBondContact O-CA 3.11Å; C199-F260 HydrophobicContact CB-CD1 4.24Å; C199-F260 HydrophobicContact CB-CD2 4.03Å; C199-F260 HydrophobicContact CB-CE1 3.82Å; C199-F260 HydrophobicContact CB-CE2 3.58Å; C199-F260 HydrophobicContact CB-CG 4.34Å; C199-F260 HydrophobicContact CB-CZ 3.47Å; C199-F260 VanDerWaalsContact CB-CZ 3.47Å; C199-F260 PolarHBondContact N-O 3.02Å; C199-F260 PolarHBondContact O-N 2.81Å; C199-F260 VanDerWaalsContact O-N 3.08Å
200	V	98.6	Very high	97.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.2	-172.9	-61.8	0	0	0	0	113.3	L108 T109 F123 V198 G258 F259 F331	L108-V200 HydrophobicContact CD1-CG1 4.38Å; L108-V200 HydrophobicContact CD1-CG2 3.73Å; L108-V200 HydrophobicContact CG-CG2 4.43Å; T109-V200 PolarHBondContact O-N 2.63Å; F123-V200 HydrophobicContact CE2-CG2 3.66Å; F123-V200 HydrophobicContact CZ-CG2 3.52Å; V198-V200 HydrophobicContact CG1-CG1 3.89Å; V200-G258 CarbonylContact C-O 3.43Å; V200-G258 WeakPolarHBondContact CA-O 3.5Å; V200-F259 HydrophobicContact CG1-CB 4.26Å; V200-F259 HydrophobicContact CG1-CD1 3.69Å; V200-F259 HydrophobicContact CG1-CD2 3.98Å; V200-F259 HydrophobicContact CG1-CE1 4.01Å; V200-F259 HydrophobicContact CG1-CE2 4.26Å; V200-F259 HydrophobicContact CG1-CG 3.71Å; V200-F259 HydrophobicContact CG1-CZ 4.29Å; V200-F331 HydrophobicContact CB-CE1 4.15Å; V200-F331 HydrophobicContact CB-CZ 4.06Å; V200-F331 HydrophobicContact CG1-CE1 4.3Å; V200-F331 HydrophobicContact CG1-CZ 4.48Å; V200-F331 HydrophobicContact CG2-CZ 4.26Å
201	D	95.5	Very high	97.8	Very high	14 Å²	14	32.6 Å²	32.6	8%	0.075	17%	0.166	C	C	.	.			trans	-73.1	145.9	168.4	-70.2	-3.1	0	0	0	111.1	R178 M204 G258	R178-D201 IonicContact CZ-OD1 2.69Å; R178-D201 IonicContact NH1-OD1 3.68Å; R178-D201 PolarHBondContact NH1-OD1 2.86Å; R178-D201 IonicContact NH2-OD1 3.71Å; R178-D201 PolarHBondContact NH2-OD1 3.41Å; D201-M204 HydrophobicContact CB-CE 4.17Å; D201-M204 HydrophobicContact CB-CG 4.24Å; D201-G258 PolarHBondContact N-O 2.9Å; D201-G258 WeakPolarHBondContact OD1-CA 3.43Å; D201-G258 WeakPolarHBondContact OD2-CA 3.45Å
202	E	92.1	Very high	97.9	Very high	17 Å²	17	27.8 Å²	27.8	8%	0.079	14%	0.141	C	C	.	.	S	Bend	trans	-83.7	-22.3	-175.4	69.6	-77.9	-174.8	0	0	114.1	V110 F111 Y116 F119 M204	V110-E202 HydrophobicContact CG2-CB 3.31Å; F111-E202 VanDerWaalsContact O-OE1 3.07Å; Y116-E202 VanDerWaalsContact CB-OE1 3.23Å; Y116-E202 WeakPolarHBondContact CB-OE1 3.35Å; Y116-E202 HydrophobicContact CD1-CG 3.99Å; Y116-E202 WeakPolarHBondContact CD1-OE1 3.25Å; Y116-E202 HydrophobicContact CG-CG 4.44Å; F119-E202 WeakPolarHBondContact CB-O 3.45Å; F119-E202 HydrophobicContact CD2-CG 4.42Å; E202-M204 PolarHBondContact O-N 3.42Å
203	D	94	Very high	98	Very high	11 Å²	11	23.1 Å²	23.1	6%	0.059	11%	0.108	C	C	.	.	S	Bend	trans	-85.9	43.9	-174.5	60	0.9	0	0	0	112.4	Y116 F119 V334 K336	Y116-D203 HydrophobicContact CD1-CB 4.33Å; Y116-D203 HydrophobicContact CE1-CB 4.24Å; F119-D203 HydrophobicContact CD1-CB 4.16Å; F119-D203 HydrophobicContact CD2-CB 3.83Å; F119-D203 HydrophobicContact CE1-CB 4.16Å; F119-D203 HydrophobicContact CE2-CB 3.83Å; F119-D203 HydrophobicContact CG-CB 4.01Å; F119-D203 HydrophobicContact CZ-CB 4Å; D203-V334 PolarHBondContact O-N 3.17Å; D203-K336 HydrophobicContact CB-CD 3.97Å; D203-K336 IonicContact OD1-NZ 2.64Å; D203-K336 WeakPolarHBondContact OD2-CD 3.37Å; D203-K336 WeakPolarHBondContact OD2-CE 3.47Å; D203-K336 IonicContact OD2-NZ 3.31Å; D203-K336 PolarHBondContact OD2-NZ 3.37Å
204	M	97.1	Very high	98	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.054	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.4	-169.4	-58.8	-76.5	-176.7	0	0	110.2	D201 E202 L314 F331 T332 A333	D201-M204 HydrophobicContact CB-CE 4.17Å; D201-M204 HydrophobicContact CB-CG 4.24Å; E202-M204 PolarHBondContact O-N 3.42Å; M204-L314 HydrophobicContact CE-CD1 3.84Å; M204-L314 HydrophobicContact CE-CD2 3.93Å; M204-L314 HydrophobicContact CE-CG 3.99Å; M204-L314 HydrophobicContact SD-CG 4.37Å; M204-F331 HydrophobicContact CB-CD1 4.35Å; M204-F331 HydrophobicContact CB-CD2 4.03Å; M204-F331 HydrophobicContact CB-CE1 3.66Å; M204-F331 HydrophobicContact CB-CE2 3.27Å; M204-F331 HydrophobicContact CB-CZ 3.08Å; M204-F331 HydrophobicContact CG-CD1 4.43Å; M204-F331 HydrophobicContact CG-CE1 3.61Å; M204-F331 HydrophobicContact CG-CE2 4.18Å; M204-F331 HydrophobicContact CG-CZ 3.49Å; M204-F331 VanDerWaalsContact CG-CZ 3.49Å; M204-F331 HydrophobicContact SD-CE1 4.26Å; M204-T332 CarbonylContact C-O 3.46Å; M204-T332 VanDerWaalsContact CA-O 3.29Å; M204-T332 WeakPolarHBondContact CA-O 3.42Å; M204-A333 WeakPolarHBondContact SD-CA 3.24Å; M204-A333 HydrophobicContact SD-CB 4Å
205	E	98.4	Very high	98	Very high	34 Å²	34	20 Å²	20	16%	0.159	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147	172.5	65.8	175.7	160.5	0	0	111.3	L122 T126 R207 F331 T332 V334	L122-E205 HydrophobicContact CD2-CB 4.04Å; L122-E205 HydrophobicContact CG-CB 3.98Å; T126-E205 HydrophobicContact CG2-CB 4.3Å; E205-R207 HydrophobicContact CG-CG 4.14Å; E205-R207 IonicContact OE1-CZ 3.8Å; E205-R207 IonicContact OE1-NE 3.43Å; E205-R207 PolarHBondContact OE1-NE 3.4Å; E205-R207 IonicContact OE1-NH2 3.53Å; E205-R207 PolarHBondContact OE1-NH2 3.2Å; E205-F331 CarbonylContact O-C 3.56Å; E205-F331 WeakPolarHBondContact O-CA 3.37Å; E205-F331 WeakPolarHBondContact O-CD2 3.39Å; E205-T332 WeakPolarHBondContact CG-OG1 3.45Å; E205-T332 PolarHBondContact N-O 3.21Å; E205-T332 PolarHBondContact O-N 3.44Å; E205-V334 HydrophobicContact CB-CG2 4.14Å; E205-V334 HydrophobicContact CG-CG2 4.23Å
206	F	98.8	Very high	98	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.013	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.3	172	-60.9	-97.5	0	0	0	110.1	L108 F123 T126 A127 H130 F131 V210 R330 F331	L108-F206 HydrophobicContact CD2-CZ 4.4Å; F123-F206 HydrophobicContact CD2-CE2 4.23Å; F123-F206 AromaticContact CE2-CE2 3.83Å; F123-F206 HydrophobicContact CE2-CE2 3.83Å; F123-F206 HydrophobicContact CE2-CZ 4.38Å; F123-F206 HydrophobicContact CZ-CE2 4.03Å; F123-F206 HydrophobicContact CZ-CZ 4.46Å; T126-F206 VanDerWaalsContact CB-O 3.25Å; T126-F206 WeakPolarHBondContact CB-O 3.43Å; T126-F206 PolarHBondContact OG1-N 3.35Å; A127-F206 HydrophobicContact CB-CD2 3.78Å; A127-F206 HydrophobicContact CB-CE2 3.66Å; A127-F206 HydrophobicContact CB-CZ 4.45Å; H130-F206 HydrophobicContact CB-CB 3.71Å; H130-F206 HydrophobicContact CB-CG 4.47Å; H130-F206 PolarHBondContact CD2-O 2.99Å; H130-F206 VanDerWaalsContact CD2-O 3.28Å; F131-F206 HydrophobicContact CB-CD1 4.44Å; F131-F206 HydrophobicContact CB-CE1 4.17Å; F131-F206 HydrophobicContact CB-CZ 4.36Å; F131-F206 AromaticContact CD2-CE1 3.96Å; F131-F206 HydrophobicContact CD2-CE1 3.96Å; F131-F206 HydrophobicContact CD2-CZ 4.23Å; F131-F206 HydrophobicContact CG-CE1 4.42Å; F131-F206 HydrophobicContact CG-CZ 4.49Å; F206-V210 HydrophobicContact CD1-CB 4.24Å; F206-V210 HydrophobicContact CD1-CG2 3.86Å; F206-V210 HydrophobicContact CE1-CB 4.26Å; F206-V210 HydrophobicContact CE1-CG1 4.44Å; F206-V210 HydrophobicContact CE1-CG2 4.13Å; F206-R330 CarbonylContact C-O 3.55Å; F206-R330 WeakPolarHBondContact CA-O 3.3Å; F206-F331 HydrophobicContact CD1-CB 4.33Å; F206-F331 AromaticContact CD1-CD2 3.66Å; F206-F331 HydrophobicContact CD1-CD2 3.66Å; F206-F331 HydrophobicContact CD1-CE2 4.32Å; F206-F331 HydrophobicContact CD1-CG 4.33Å; F206-F331 AromaticContact CD2-CD2 3.86Å; F206-F331 HydrophobicContact CD2-CD2 3.86Å; F206-F331 AromaticContact CD2-CE2 3.88Å; F206-F331 HydrophobicContact CD2-CE2 3.88Å; F206-F331 AromaticContact CE1-CD2 3.65Å; F206-F331 HydrophobicContact CE1-CD2 3.65Å; F206-F331 AromaticContact CE1-CE2 4Å; F206-F331 HydrophobicContact CE1-CE2 4Å; F206-F331 HydrophobicContact CE1-CG 4.24Å; F206-F331 AromaticContact CE2-CD2 3.85Å; F206-F331 HydrophobicContact CE2-CD2 3.85Å; F206-F331 AromaticContact CE2-CE2 3.52Å; F206-F331 HydrophobicContact CE2-CE2 3.52Å; F206-F331 AromaticContact CG-CD2 3.76Å; F206-F331 HydrophobicContact CG-CD2 3.76Å; F206-F331 HydrophobicContact CG-CE2 4.27Å; F206-F331 AromaticContact CZ-CD2 3.74Å; F206-F331 HydrophobicContact CZ-CD2 3.74Å; F206-F331 AromaticContact CZ-CE2 3.58Å; F206-F331 HydrophobicContact CZ-CE2 3.58Å; F206-F331 HydrophobicContact CZ-CZ 4.33Å
207	R	98.7	Very high	98	Very high	104 Å²	104	18 Å²	18	39%	0.392	9%	0.089	S	C	.	.			trans	-121.5	-18.2	-178.6	-67.2	-171.2	174.3	-179.8	5.9	113.9	E205 L329 R330 T332	E205-R207 HydrophobicContact CG-CG 4.14Å; E205-R207 IonicContact OE1-CZ 3.8Å; E205-R207 IonicContact OE1-NE 3.43Å; E205-R207 PolarHBondContact OE1-NE 3.4Å; E205-R207 IonicContact OE1-NH2 3.53Å; E205-R207 PolarHBondContact OE1-NH2 3.2Å; R207-L329 WeakPolarHBondContact CB-O 3.26Å; R207-R330 PolarHBondContact N-O 3.03Å; R207-T332 VanDerWaalsContact CD-OG1 3.28Å; R207-T332 WeakPolarHBondContact CD-OG1 3.28Å; R207-T332 PolarHBondContact NE-OG1 3.3Å; R207-T332 VanDerWaalsContact NE-OG1 3.07Å
208	D	98.8	Very high	98	Very high	44 Å²	44	18.2 Å²	18.2	24%	0.235	9%	0.09	C	C	.	.	S	Bend	trans	-151.4	173.2	178	-153.3	-38.4	0	0	0	109.2	H130 V210 K328 R330	H130-D208 WeakPolarHBondContact CB-O 3.44Å; D208-V210 PolarHBondContact O-N 2.88Å; D208-K328 IonicContact OD1-NZ 2.93Å; D208-K328 PolarHBondContact OD1-NZ 3.49Å; D208-K328 WeakPolarHBondContact OD2-CD 3.14Å; D208-K328 WeakPolarHBondContact OD2-CG 3.32Å; D208-K328 IonicContact OD2-NZ 3.85Å; D208-K328 PolarHBondContact OD2-NZ 2.9Å; D208-R330 HydrophobicContact CB-CB 4.4Å; D208-R330 HydrophobicContact CB-CG 4.26Å; D208-R330 PolarHBondContact N-O 3.5Å
209	H	98.8	Very high	98	Very high	52 Å²	52	18.2 Å²	18.2	24%	0.241	9%	0.09	C	C	.	.			trans	-50.2	125	-176.7	176.2	82.6	0	0	0	113.5	I92 G211 E213 R330	I92-H209 WeakPolarHBondContact CD1-NE2 3.16Å; H209-G211 WeakPolarHBondContact NE2-CA 3.41Å; H209-G211 PolarHBondContact NE2-N 2.95Å; H209-E213 IonicContact CD2-OE1 2.69Å; H209-E213 PolarHBondContact CD2-OE1 3.19Å; H209-E213 IonicContact CD2-OE2 2.75Å; H209-E213 IonicContact CE1-OE2 2.74Å; H209-E213 IonicContact NE2-OE1 3.19Å; H209-E213 IonicContact NE2-OE2 3.61Å; H209-E213 PolarHBondContact NE2-OE2 3.38Å; H209-R330 WeakPolarHBondContact O-CD 3.25Å; H209-R330 PolarHBondContact O-NH1 3.31Å
210	V	98.9	Very high	98	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-127.8	102.1	165.8	178.5	0	0	0	0	107.2	H130 F131 M132 F206 D208 I214 F259 Y313 R330	H130-V210 PolarHBondContact O-N 3.49Å; H130-V210 VanDerWaalsContact O-O 3.14Å; F131-V210 WeakPolarHBondContact CA-O 3.21Å; F131-V210 HydrophobicContact CD2-CB 4.37Å; F131-V210 HydrophobicContact CD2-CG1 3.99Å; F131-V210 HydrophobicContact CE2-CG1 4.34Å; M132-V210 PolarHBondContact N-O 3.27Å; F206-V210 HydrophobicContact CD1-CB 4.24Å; F206-V210 HydrophobicContact CD1-CG2 3.86Å; F206-V210 HydrophobicContact CE1-CB 4.26Å; F206-V210 HydrophobicContact CE1-CG1 4.44Å; F206-V210 HydrophobicContact CE1-CG2 4.13Å; D208-V210 PolarHBondContact O-N 2.88Å; V210-I214 HydrophobicContact CG1-CD1 3.91Å; V210-I214 HydrophobicContact CG1-CG2 4.47Å; V210-F259 HydrophobicContact CG1-CZ 4.1Å; V210-Y313 HydrophobicContact CG1-CD1 4.19Å; V210-Y313 HydrophobicContact CG1-CE1 4.3Å; V210-Y313 HydrophobicContact CG2-CD1 4.2Å; V210-Y313 HydrophobicContact CG2-CE1 4.42Å; V210-R330 HydrophobicContact CG2-CB 3.68Å
211	G	98.9	Very high	98	Very high	1 Å²	1	18 Å²	18	1%	0.01	9%	0.089	C	C	.	.			trans	-129.1	-158.2	-170.9	0	0	0	0	0	114.1	M132 H209 E213 I214	M132-G211 WeakPolarHBondContact CE-O 3.47Å; H209-G211 WeakPolarHBondContact NE2-CA 3.41Å; H209-G211 PolarHBondContact NE2-N 2.95Å; G211-E213 WeakPolarHBondContact CA-OE2 3.35Å; G211-E213 PolarHBondContact N-OE1 3.49Å; G211-E213 PolarHBondContact N-OE2 3.03Å; G211-E213 VanDerWaalsContact N-OE2 3.16Å; G211-E213 PolarHBondContact O-N 3.19Å; G211-I214 WeakPolarHBondContact O-CG1 3.47Å; G211-I214 PolarHBondContact O-N 3.08Å; G211-I214 VanDerWaalsContact O-N 3.16Å
212	V	98.8	Very high	98.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-64.8	-10.7	-173.5	-64	0	0	0	0	113.9	I92 L95 N96 F99 M132 H135 I214 L215	I92-V212 HydrophobicContact CD1-CG2 4.24Å; L95-V212 HydrophobicContact CB-CG2 3.84Å; N96-V212 WeakPolarHBondContact OD1-CG2 2.98Å; F99-V212 HydrophobicContact CB-CB 4.18Å; F99-V212 HydrophobicContact CB-CG1 3.95Å; F99-V212 HydrophobicContact CB-CG2 4.46Å; F99-V212 HydrophobicContact CD2-CB 3.6Å; F99-V212 HydrophobicContact CD2-CG1 4.3Å; F99-V212 HydrophobicContact CD2-CG2 3.83Å; F99-V212 HydrophobicContact CE2-CB 4.13Å; F99-V212 HydrophobicContact CG-CB 3.92Å; F99-V212 HydrophobicContact CG-CG1 4.13Å; F99-V212 HydrophobicContact CG-CG2 4.42Å; M132-V212 HydrophobicContact SD-CG1 3.96Å; H135-V212 VanDerWaalsContact CE1-CG1 3.44Å; H135-V212 WeakPolarHBondContact CE1-CG1 3.45Å; H135-V212 WeakPolarHBondContact NE2-CG1 3.26Å; V212-I214 PolarHBondContact O-N 3.32Å; V212-L215 HydrophobicContact CB-CD1 4.01Å; V212-L215 HydrophobicContact CB-CG 4.44Å; V212-L215 HydrophobicContact CG1-CD1 3.79Å; V212-L215 PolarHBondContact O-N 2.78Å; V212-L215 VanDerWaalsContact O-N 3.08Å
213	E	98.9	Very high	98.5	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.009	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24.4	172	75.7	-76.1	175.6	0	0	113.5	V85 F90 I92 L95 H209 G211 K307 Y313	V85-E213 HydrophobicContact CG1-CB 4.36Å; V85-E213 HydrophobicContact CG1-CG 3.78Å; F90-E213 HydrophobicContact CD1-CB 4.13Å; F90-E213 HydrophobicContact CD1-CG 4.14Å; F90-E213 HydrophobicContact CD2-CB 3.9Å; F90-E213 HydrophobicContact CD2-CG 4.27Å; F90-E213 HydrophobicContact CE1-CB 4.32Å; F90-E213 HydrophobicContact CE1-CG 3.85Å; F90-E213 HydrophobicContact CE2-CB 4.09Å; F90-E213 HydrophobicContact CE2-CG 3.97Å; F90-E213 HydrophobicContact CG-CB 3.92Å; F90-E213 HydrophobicContact CG-CG 4.36Å; F90-E213 HydrophobicContact CZ-CB 4.31Å; F90-E213 HydrophobicContact CZ-CG 3.76Å; I92-E213 WeakPolarHBondContact CD1-OE2 3.32Å; L95-E213 HydrophobicContact CD1-CB 3.59Å; H209-E213 IonicContact CD2-OE1 2.69Å; H209-E213 PolarHBondContact CD2-OE1 3.19Å; H209-E213 IonicContact CD2-OE2 2.75Å; H209-E213 IonicContact CE1-OE2 2.74Å; H209-E213 IonicContact NE2-OE1 3.19Å; H209-E213 IonicContact NE2-OE2 3.61Å; H209-E213 PolarHBondContact NE2-OE2 3.38Å; G211-E213 WeakPolarHBondContact CA-OE2 3.35Å; G211-E213 PolarHBondContact N-OE1 3.49Å; G211-E213 PolarHBondContact N-OE2 3.03Å; G211-E213 VanDerWaalsContact N-OE2 3.16Å; G211-E213 PolarHBondContact O-N 3.19Å; E213-K307 WeakPolarHBondContact O-CD 3.34Å; E213-K307 PolarHBondContact O-NZ 3Å; E213-Y313 WeakPolarHBondContact CG-OH 3.33Å; E213-Y313 WeakPolarHBondContact OE1-CE1 3.45Å; E213-Y313 PolarHBondContact OE1-OH 2.98Å
214	I	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-81.4	-21.3	177.2	80.4	-176.8	0	0	0	112.7	M132 V198 V210 G211 V212 T216 F219 F259 L309 Y313	M132-I214 HydrophobicContact CE-CD1 3.54Å; M132-I214 HydrophobicContact CE-CG1 3.65Å; V198-I214 HydrophobicContact CG2-CD1 4Å; V210-I214 HydrophobicContact CG1-CD1 3.91Å; V210-I214 HydrophobicContact CG1-CG2 4.47Å; G211-I214 WeakPolarHBondContact O-CG1 3.47Å; G211-I214 PolarHBondContact O-N 3.08Å; G211-I214 VanDerWaalsContact O-N 3.16Å; V212-I214 PolarHBondContact O-N 3.32Å; I214-T216 PolarHBondContact O-N 2.66Å; I214-F219 HydrophobicContact CD1-CZ 4.29Å; I214-F219 HydrophobicContact CG1-CE1 4.46Å; I214-F219 WeakPolarHBondContact O-CD1 3.33Å; I214-F259 HydrophobicContact CD1-CE1 4.1Å; I214-F259 HydrophobicContact CD1-CZ 4.02Å; I214-L309 HydrophobicContact CB-CD1 3.96Å; I214-L309 HydrophobicContact CB-CD2 3.77Å; I214-L309 HydrophobicContact CG2-CD1 3.89Å; I214-L309 HydrophobicContact CG2-CD2 3.78Å; I214-Y313 HydrophobicContact CG2-CD1 3.81Å; I214-Y313 HydrophobicContact CG2-CE1 3.34Å
215	L	98.9	Very high	98.7	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	9%	0.093	C	C	.	.			trans	-71.4	131.4	-170.8	-59.3	-178.7	0	0	0	111.8	F99 T104 I106 M132 Y196 V212 K307	F99-L215 HydrophobicContact CD1-CD1 3.98Å; F99-L215 HydrophobicContact CE1-CB 3.82Å; F99-L215 HydrophobicContact CE1-CD1 4Å; F99-L215 HydrophobicContact CZ-CB 3.81Å; T104-L215 HydrophobicContact CG2-CD1 4.1Å; I106-L215 HydrophobicContact CD1-CD1 4.24Å; I106-L215 HydrophobicContact CG1-CD1 3.78Å; I106-L215 HydrophobicContact CG1-CD2 4.18Å; I106-L215 HydrophobicContact CG2-CD2 4.33Å; M132-L215 HydrophobicContact CE-CD1 4.45Å; M132-L215 HydrophobicContact CE-CD2 3.7Å; M132-L215 HydrophobicContact CE-CG 4.01Å; M132-L215 HydrophobicContact SD-CD1 4.44Å; Y196-L215 HydrophobicContact CD1-CB 4.35Å; Y196-L215 HydrophobicContact CD1-CD2 4.4Å; Y196-L215 HydrophobicContact CD2-CD1 4.09Å; Y196-L215 HydrophobicContact CD2-CD2 4.42Å; Y196-L215 HydrophobicContact CE1-CB 4.43Å; Y196-L215 HydrophobicContact CE2-CD1 4.49Å; Y196-L215 HydrophobicContact CG-CB 4.41Å; Y196-L215 HydrophobicContact CG-CD1 4.46Å; Y196-L215 HydrophobicContact CG-CD2 3.97Å; V212-L215 HydrophobicContact CB-CD1 4.01Å; V212-L215 HydrophobicContact CB-CG 4.44Å; V212-L215 HydrophobicContact CG1-CD1 3.79Å; V212-L215 PolarHBondContact O-N 2.78Å; V212-L215 VanDerWaalsContact O-N 3.08Å; L215-K307 WeakPolarHBondContact O-CE 3.28Å; L215-K307 PolarHBondContact O-NZ 3.29Å
216	T	98.9	Very high	98.7	Very high	14 Å²	14	17.6 Å²	17.6	9%	0.086	9%	0.093	C	C	.	.	S	Bend	trans	-170	167.8	-176.4	-166.1	0	0	0	0	108.5	Y196 I214 L218 F219 G262 S263 T306 K307	Y196-T216 WeakPolarHBondContact CE1-O 3.39Å; I214-T216 PolarHBondContact O-N 2.66Å; T216-L218 VanDerWaalsContact C-N 3.32Å; T216-L218 VanDerWaalsContact CG2-O 3.28Å; T216-L218 WeakPolarHBondContact CG2-O 3.37Å; T216-L218 PolarHBondContact O-N 2.74Å; T216-F219 HydrophobicContact CG2-CB 3.75Å; T216-F219 HydrophobicContact CG2-CD1 4.12Å; T216-F219 HydrophobicContact CG2-CG 4.43Å; T216-G262 CarbonylContact O-C 3.5Å; T216-G262 VanDerWaalsContact O-CA 3.29Å; T216-G262 WeakPolarHBondContact O-CA 3.21Å; T216-S263 PolarHBondContact O-N 2.81Å; T216-T306 WeakPolarHBondContact CG2-OG1 3.35Å; T216-T306 WeakPolarHBondContact OG1-CB 3.43Å; T216-T306 PolarHBondContact OG1-OG1 2.98Å; T216-K307 HydrophobicContact CG2-CB 3.72Å; T216-K307 HydrophobicContact CG2-CD 4.06Å; T216-K307 HydrophobicContact CG2-CG 3.84Å
217	P	98.9	Very high	98.7	Very high	64 Å²	64	21.6 Å²	21.6	42%	0.416	11%	0.109	S	C	.	.	S	Bend	trans	-52	-45.5	175.6	-32.6	38.3	0	0	0	114.2	G262 S263 E266 T306	P217-G262 CarbonylContact O-C 3.1Å; P217-G262 WeakPolarHBondContact O-CA 3.26Å; P217-S263 PolarHBondContact O-N 3.25Å; P217-S263 PolarHBondContact O-OG 3.45Å; P217-E266 HydrophobicContact CB-CG 4.17Å; P217-E266 WeakPolarHBondContact O-CB 3.38Å; P217-E266 VanDerWaalsContact O-CG 3.27Å; P217-E266 WeakPolarHBondContact O-CG 3.28Å; P217-T306 HydrophobicContact CB-CG2 4.36Å; P217-T306 WeakPolarHBondContact CD-OG1 3.4Å
218	L	98.9	Very high	98.6	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	131.7	177.3	178.8	63.5	0	0	0	111.1	T216 E266 L270 Y299 L300 P305 T306 K307	T216-L218 VanDerWaalsContact C-N 3.32Å; T216-L218 VanDerWaalsContact CG2-O 3.28Å; T216-L218 WeakPolarHBondContact CG2-O 3.37Å; T216-L218 PolarHBondContact O-N 2.74Å; L218-E266 HydrophobicContact CB-CB 4.28Å; L218-E266 HydrophobicContact CB-CG 4.46Å; L218-L270 HydrophobicContact CD1-CD1 3.7Å; L218-Y299 HydrophobicContact CD2-CE1 4.07Å; L218-L300 HydrophobicContact CD1-CD2 4.3Å; L218-L300 HydrophobicContact CD2-CD2 3.86Å; L218-L300 HydrophobicContact CG-CD2 4.11Å; L218-P305 HydrophobicContact CG-CB 4.33Å; L218-P305 CarbonylContact O-C 3.59Å; L218-P305 WeakPolarHBondContact O-CA 3.5Å; L218-T306 PolarHBondContact N-OG1 3.49Å; L218-T306 PolarHBondContact O-N 2.82Å; L218-T306 PolarHBondContact O-OG1 3.29Å; L218-K307 PolarHBondContact O-N 3.34Å
219	F	98.9	Very high	98.5	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.1	171.4	70.9	-94.8	0	0	0	113.1	V198 I214 T216 F259 F260 G261 K307 L309	V198-F219 HydrophobicContact CG1-CZ 4.35Å; V198-F219 HydrophobicContact CG2-CE1 4.44Å; V198-F219 HydrophobicContact CG2-CZ 4.19Å; I214-F219 HydrophobicContact CD1-CZ 4.29Å; I214-F219 HydrophobicContact CG1-CE1 4.46Å; I214-F219 WeakPolarHBondContact O-CD1 3.33Å; T216-F219 HydrophobicContact CG2-CB 3.75Å; T216-F219 HydrophobicContact CG2-CD1 4.12Å; T216-F219 HydrophobicContact CG2-CG 4.43Å; F219-F259 AromaticContact CE2-CD1 3.67Å; F219-F259 HydrophobicContact CE2-CD1 3.67Å; F219-F259 AromaticContact CE2-CE1 3.61Å; F219-F259 HydrophobicContact CE2-CE1 3.61Å; F219-F259 HydrophobicContact CZ-CD1 4.24Å; F219-F259 AromaticContact CZ-CE1 3.87Å; F219-F259 HydrophobicContact CZ-CE1 3.87Å; F219-F260 VanDerWaalsContact CZ-C 3.49Å; F219-G261 VanDerWaalsContact CD1-C 3.42Å; F219-G261 WeakPolarHBondContact CD1-O 3.16Å; F219-G261 VanDerWaalsContact CZ-CA 3.42Å; F219-G261 VanDerWaalsContact CZ-N 3.34Å; F219-G261 PolarHBondContact N-O 3.09Å; F219-G261 PolarHBondContact O-N 3.09Å; F219-K307 VanDerWaalsContact CA-O 3.23Å; F219-K307 WeakPolarHBondContact CA-O 3.23Å; F219-K307 HydrophobicContact CB-CB 4.31Å; F219-K307 VanDerWaalsContact CB-O 3.26Å; F219-K307 WeakPolarHBondContact CB-O 3.4Å; F219-L309 HydrophobicContact CD2-CD1 3.64Å; F219-L309 HydrophobicContact CD2-CG 3.83Å; F219-L309 HydrophobicContact CE2-CD1 3.63Å; F219-L309 HydrophobicContact CE2-CG 4.34Å; F219-L309 HydrophobicContact CG-CG 4.49Å
220	G	98.8	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.5	165.9	0	0	0	0	0	110.3	V308 L309	G220-V308 CarbonylContact O-C 3.33Å; G220-V308 WeakPolarHBondContact O-CA 3.21Å; G220-L309 PolarHBondContact O-N 2.86Å
221	T	98.9	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.3	-177.7	-54.3	0	0	0	0	110.4	H223 Y255 L256 F259 L309 L314	T221-H223 PolarHBondContact O-N 2.85Å; T221-Y255 CarbonylContact O-C 3.6Å; T221-Y255 WeakPolarHBondContact O-CA 3.47Å; T221-L256 PolarHBondContact O-N 3.45Å; T221-F259 VanDerWaalsContact CB-O 3.27Å; T221-F259 WeakPolarHBondContact CB-O 3.44Å; T221-F259 HydrophobicContact CG2-CB 4.47Å; T221-F259 PolarHBondContact N-O 2.94Å; T221-F259 PolarHBondContact OG1-O 2.91Å; T221-L309 HydrophobicContact CG2-CB 3.98Å; T221-L314 HydrophobicContact CG2-CB 4.2Å
222	L	98.9	Very high	98.4	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.9	174.7	-64.5	-177.1	0	0	0	110.2	I84 F253 V308 L309 P311	I84-L222 HydrophobicContact CG2-CD1 4.3Å; L222-F253 HydrophobicContact CD2-CB 3.46Å; L222-F253 VanDerWaalsContact CD2-CB 3.46Å; L222-F253 HydrophobicContact CD2-CD1 3.55Å; L222-F253 HydrophobicContact CD2-CD2 4.19Å; L222-F253 HydrophobicContact CD2-CE1 4.33Å; L222-F253 HydrophobicContact CD2-CG 3.47Å; L222-F253 VanDerWaalsContact CD2-CG 3.47Å; L222-V308 HydrophobicContact CD1-CG1 4.4Å; L222-V308 HydrophobicContact CD2-CG1 3.65Å; L222-V308 HydrophobicContact CG-CG1 3.68Å; L222-L309 WeakPolarHBondContact CG-O 3.43Å; L222-L309 PolarHBondContact N-O 2.84Å; L222-P311 HydrophobicContact CB-CG 4.09Å
223	H	98.7	Very high	98.4	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.014	20%	0.202	C	C	.	.			trans	-67.8	132.2	177.9	-173	-68.3	0	0	0	110.8	T221 G225 F226 Y227 Y254 L256 E293 W364	T221-H223 PolarHBondContact O-N 2.85Å; H223-G225 VanDerWaalsContact C-N 3.27Å; H223-G225 PolarHBondContact ND1-N 2.79Å; H223-G225 PolarHBondContact O-N 3.02Å; H223-F226 HydrophobicContact CB-CD2 4.28Å; H223-F226 AromaticContact CG-CD2 3.87Å; H223-F226 AromaticContact ND1-CD2 3.48Å; H223-F226 WeakPolarHBondContact ND1-CD2 3.44Å; H223-F226 PolarHBondContact O-N 2.9Å; H223-Y227 PolarHBondContact O-N 3.37Å; H223-Y254 HydrophobicContact CB-CD1 3.57Å; H223-Y254 HydrophobicContact CB-CE1 4.22Å; H223-Y254 WeakPolarHBondContact CB-O 3.34Å; H223-Y254 AromaticContact CD2-CE1 3.81Å; H223-Y254 AromaticContact CG-CD1 3.83Å; H223-Y254 PolarHBondContact N-O 3.26Å; H223-L256 HydrophobicContact CB-CB 4.19Å; H223-L256 HydrophobicContact CB-CD1 4.24Å; H223-E293 IonicContact CD2-OE2 3.61Å; H223-W364 AromaticContact CE1-CD2 3.88Å; H223-W364 AromaticContact CE1-CG 3.97Å
224	P	98.1	Very high	98.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.013	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.1	-171.1	30.9	-37.6	0	0	0	112.9	F226 Y227 L256 P311 L314 W315 L320 W364	P224-F226 VanDerWaalsContact C-N 3.33Å; P224-F226 PolarHBondContact O-N 2.89Å; P224-Y227 WeakPolarHBondContact O-CD1 3.45Å; P224-Y227 VanDerWaalsContact O-CE1 3.25Å; P224-Y227 WeakPolarHBondContact O-CE1 3.34Å; P224-L256 HydrophobicContact CG-CD1 4.28Å; P224-P311 HydrophobicContact CB-CB 4.28Å; P224-L314 HydrophobicContact CG-CD2 4.2Å; P224-W315 HydrophobicContact CB-CD2 4.18Å; P224-W315 HydrophobicContact CB-CE3 3.27Å; P224-W315 HydrophobicContact CB-CH2 4.42Å; P224-W315 HydrophobicContact CB-CZ3 3.4Å; P224-W315 VanDerWaalsContact CB-CZ3 3.4Å; P224-L320 HydrophobicContact CB-CD1 3.66Å; P224-L320 HydrophobicContact CG-CD1 4.35Å; P224-L320 WeakPolarHBondContact O-CD1 3.22Å; P224-W364 HydrophobicContact CB-CH2 4.27Å; P224-W364 HydrophobicContact CG-CE3 4.39Å; P224-W364 HydrophobicContact CG-CH2 3.69Å; P224-W364 HydrophobicContact CG-CZ3 3.6Å
225	G	97.5	Very high	98.3	Very high	28 Å²	28	35.2 Å²	35.2	29%	0.289	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-10.5	172.1	0	0	0	0	0	116.4	H223	H223-G225 VanDerWaalsContact C-N 3.27Å; H223-G225 PolarHBondContact ND1-N 2.79Å; H223-G225 PolarHBondContact O-N 3.02Å
226	F	98.3	Very high	98.3	Very high	36 Å²	36	35.4 Å²	35.4	16%	0.158	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135	-4.6	-168.8	-67.1	-74.9	0	0	0	115.7	H223 P224 G228 S229 F234 T235 Y254	H223-F226 HydrophobicContact CB-CD2 4.28Å; H223-F226 AromaticContact CG-CD2 3.87Å; H223-F226 AromaticContact ND1-CD2 3.48Å; H223-F226 WeakPolarHBondContact ND1-CD2 3.44Å; H223-F226 PolarHBondContact O-N 2.9Å; P224-F226 VanDerWaalsContact C-N 3.33Å; P224-F226 PolarHBondContact O-N 2.89Å; F226-G228 PolarHBondContact O-N 2.93Å; F226-S229 WeakPolarHBondContact O-CB 3.38Å; F226-S229 PolarHBondContact O-N 3.18Å; F226-F234 HydrophobicContact CB-CD1 4.02Å; F226-F234 HydrophobicContact CB-CE1 3.99Å; F226-F234 HydrophobicContact CD1-CD1 4.06Å; F226-F234 HydrophobicContact CG-CD1 4.3Å; F226-F234 WeakPolarHBondContact O-CE1 3.48Å; F226-T235 HydrophobicContact CE1-CG2 4.13Å; F226-T235 HydrophobicContact CZ-CG2 3.67Å; F226-T235 WeakPolarHBondContact CZ-OG1 3.37Å; F226-Y254 HydrophobicContact CB-CD1 4.26Å; F226-Y254 HydrophobicContact CB-CG 4.28Å; F226-Y254 AromaticContact CD2-CD1 3.38Å; F226-Y254 HydrophobicContact CD2-CD1 3.38Å; F226-Y254 AromaticContact CD2-CE1 3.75Å; F226-Y254 HydrophobicContact CD2-CE1 3.75Å; F226-Y254 AromaticContact CD2-CG 3.97Å; F226-Y254 HydrophobicContact CD2-CG 3.97Å; F226-Y254 AromaticContact CE2-CD1 3.96Å; F226-Y254 HydrophobicContact CE2-CD1 3.96Å; F226-Y254 AromaticContact CE2-CE1 3.84Å; F226-Y254 HydrophobicContact CE2-CE1 3.84Å; F226-Y254 HydrophobicContact CG-CD1 4.03Å; F226-Y254 HydrophobicContact CG-CG 4.19Å
227	Y	97.6	Very high	98.3	Very high	87 Å²	87	35 Å²	35	34%	0.341	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.8	-175.1	72.4	-83.6	0	0	0	115.1	H223 P224 P311 W315 V325	H223-Y227 PolarHBondContact O-N 3.37Å; P224-Y227 WeakPolarHBondContact O-CD1 3.45Å; P224-Y227 VanDerWaalsContact O-CE1 3.25Å; P224-Y227 WeakPolarHBondContact O-CE1 3.34Å; Y227-P311 HydrophobicContact CD1-CB 4.39Å; Y227-P311 HydrophobicContact CD1-CG 3.7Å; Y227-P311 HydrophobicContact CD2-CG 4.19Å; Y227-P311 HydrophobicContact CE1-CG 4.42Å; Y227-P311 HydrophobicContact CG-CG 3.57Å; Y227-W315 HydrophobicContact CD1-CZ3 4.28Å; Y227-W315 AromaticContact CE1-CH2 3.74Å; Y227-W315 HydrophobicContact CE1-CH2 3.74Å; Y227-W315 AromaticContact CE1-CZ3 3.71Å; Y227-W315 HydrophobicContact CE1-CZ3 3.71Å; Y227-V325 HydrophobicContact CE2-CG1 4.22Å
228	G	96.9	Very high	98.3	Very high	73 Å²	73	34.6 Å²	34.6	75%	0.753	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	6.2	173.7	0	0	0	0	0	114.7	F226	F226-G228 PolarHBondContact O-N 2.93Å
229	S	97.9	Very high	98.3	Very high	50 Å²	50	39.3 Å²	39.3	35%	0.35	22%	0.218	S	C	.	.	S	Bend	trans	-90.2	154.7	-177.1	-55.6	0	0	0	0	112.3	F226 F234	F226-S229 WeakPolarHBondContact O-CB 3.38Å; F226-S229 PolarHBondContact O-N 3.18Å; S229-F234 WeakPolarHBondContact O-CE1 3.44Å
230	S	98.3	Very high	98.3	Very high	56 Å²	56	43.3 Å²	43.3	39%	0.392	24%	0.244	S	C	.	.			trans	-77	155.7	170.5	61.6	0	0	0	0	111.9	E232 A233 F234	S230-E232 VanDerWaalsContact CB-CD 3.41Å; S230-E232 WeakPolarHBondContact CB-OE1 3.43Å; S230-E232 WeakPolarHBondContact CB-OE2 3.27Å; S230-E232 PolarHBondContact O-N 2.77Å; S230-E232 PolarHBondContact OG-OE1 2.87Å; S230-E232 PolarHBondContact OG-OE2 2.87Å; S230-A233 WeakPolarHBondContact O-CB 3.48Å; S230-A233 PolarHBondContact O-N 2.73Å; S230-F234 PolarHBondContact O-N 2.84Å
231	R	98	Very high	98.3	Very high	121 Å²	121	49.2 Å²	49.2	46%	0.457	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.6	-170.8	71.4	172.9	69	85.8	-1.4	114.2	A233 F234 R238 D249 G251	R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 2.88Å; R231-F234 VanDerWaalsContact CA-CD2 3.49Å; R231-F234 HydrophobicContact CB-CD2 3.97Å; R231-F234 HydrophobicContact CB-CE2 4Å; R231-F234 WeakPolarHBondContact O-CB 3.49Å; R231-F234 PolarHBondContact O-N 3.03Å; R231-R238 PolarHBondContact O-NH2 3.34Å; R231-D249 WeakPolarHBondContact CD-O 3.42Å; R231-G251 PolarHBondContact NE-O 2.77Å
232	E	97.1	Very high	98.3	Very high	96 Å²	96	49.4 Å²	49.4	45%	0.449	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.6	177.2	63.5	-82.8	-172.5	0	0	112.3	S230 K248	S230-E232 VanDerWaalsContact CB-CD 3.41Å; S230-E232 WeakPolarHBondContact CB-OE1 3.43Å; S230-E232 WeakPolarHBondContact CB-OE2 3.27Å; S230-E232 PolarHBondContact O-N 2.77Å; S230-E232 PolarHBondContact OG-OE1 2.87Å; S230-E232 PolarHBondContact OG-OE2 2.87Å; E232-K248 HydrophobicContact CB-CD 4.23Å; E232-K248 PolarHBondContact O-NZ 2.9Å
233	A	98	Very high	98.3	Very high	52 Å²	52	53.1 Å²	53.1	43%	0.43	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.2	175.1	0	0	0	0	0	112.8	S230 R231 T235	S230-A233 WeakPolarHBondContact O-CB 3.48Å; S230-A233 PolarHBondContact O-N 2.73Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 2.88Å; A233-T235 PolarHBondContact O-N 3.45Å
234	F	98.7	Very high	98.3	Very high	11 Å²	11	53 Å²	53	5%	0.048	29%	0.289	C	S	.	.	S	Bend	trans	-58.1	134.5	173.8	-66.5	-16.2	0	0	0	111.2	F226 S229 S230 R231 Y236 R238 Y254	F226-F234 HydrophobicContact CB-CD1 4.02Å; F226-F234 HydrophobicContact CB-CE1 3.99Å; F226-F234 HydrophobicContact CD1-CD1 4.06Å; F226-F234 HydrophobicContact CG-CD1 4.3Å; F226-F234 WeakPolarHBondContact O-CE1 3.48Å; S229-F234 WeakPolarHBondContact O-CE1 3.44Å; S230-F234 PolarHBondContact O-N 2.84Å; R231-F234 VanDerWaalsContact CA-CD2 3.49Å; R231-F234 HydrophobicContact CB-CD2 3.97Å; R231-F234 HydrophobicContact CB-CE2 4Å; R231-F234 WeakPolarHBondContact O-CB 3.49Å; R231-F234 PolarHBondContact O-N 3.03Å; F234-Y236 HydrophobicContact CB-CD1 4.47Å; F234-Y236 HydrophobicContact CB-CD2 4.02Å; F234-Y236 HydrophobicContact CB-CE1 4.34Å; F234-Y236 HydrophobicContact CB-CE2 3.87Å; F234-Y236 HydrophobicContact CB-CG 4.32Å; F234-Y236 HydrophobicContact CD2-CE1 4.38Å; F234-Y236 AromaticContact CD2-CE2 3.64Å; F234-Y236 HydrophobicContact CD2-CE2 3.64Å; F234-Y236 AromaticContact CD2-CZ 3.52Å; F234-Y236 VanDerWaalsContact CD2-OH 3.28Å; F234-Y236 WeakPolarHBondContact CD2-OH 3.36Å; F234-Y236 HydrophobicContact CG-CE2 4.26Å; F234-Y236 PolarHBondContact O-N 3.08Å; F234-R238 PolarHBondContact O-NH2 2.76Å; F234-Y254 HydrophobicContact CB-CD2 3.79Å; F234-Y254 HydrophobicContact CB-CG 4.43Å; F234-Y254 HydrophobicContact CD1-CG 4.46Å; F234-Y254 HydrophobicContact CG-CD2 4.18Å; F234-Y254 HydrophobicContact CG-CG 4.39Å
235	T	98.5	Very high	98.3	Very high	31 Å²	31	56.3 Å²	56.3	19%	0.19	30%	0.302	C	S	.	.			trans	-84.8	38.2	-176.4	52.8	0	0	0	0	112.9	F226 A233 Y254 W290	F226-T235 HydrophobicContact CE1-CG2 4.13Å; F226-T235 HydrophobicContact CZ-CG2 3.67Å; F226-T235 WeakPolarHBondContact CZ-OG1 3.37Å; A233-T235 PolarHBondContact O-N 3.45Å; T235-Y254 VanDerWaalsContact OG1-CZ 3.32Å; T235-Y254 PolarHBondContact OG1-OH 3.48Å; T235-W290 PolarHBondContact OG1-NE1 3.08Å
236	Y	98.8	Very high	98.4	Very high	7 Å²	7	55 Å²	55	3%	0.027	29%	0.288	C	S	.	.			trans	-57.4	159.2	170.9	-56.1	-44.7	0	0	0	111.3	F234 R238 I246 F253 Y254 N297	F234-Y236 HydrophobicContact CB-CD1 4.47Å; F234-Y236 HydrophobicContact CB-CD2 4.02Å; F234-Y236 HydrophobicContact CB-CE1 4.34Å; F234-Y236 HydrophobicContact CB-CE2 3.87Å; F234-Y236 HydrophobicContact CB-CG 4.32Å; F234-Y236 HydrophobicContact CD2-CE1 4.38Å; F234-Y236 AromaticContact CD2-CE2 3.64Å; F234-Y236 HydrophobicContact CD2-CE2 3.64Å; F234-Y236 AromaticContact CD2-CZ 3.52Å; F234-Y236 VanDerWaalsContact CD2-OH 3.28Å; F234-Y236 WeakPolarHBondContact CD2-OH 3.36Å; F234-Y236 HydrophobicContact CG-CE2 4.26Å; F234-Y236 PolarHBondContact O-N 3.08Å; Y236-R238 WeakPolarHBondContact O-CD 3.49Å; Y236-R238 VanDerWaalsContact O-CG 3.31Å; Y236-R238 WeakPolarHBondContact O-CG 3.46Å; Y236-R238 PolarHBondContact O-N 3.34Å; Y236-R238 PolarHBondContact O-NE 3.33Å; Y236-I246 HydrophobicContact CD1-CD1 3.81Å; Y236-I246 HydrophobicContact CD2-CB 3.79Å; Y236-I246 HydrophobicContact CD2-CD1 3.89Å; Y236-I246 HydrophobicContact CD2-CG1 4.4Å; Y236-I246 HydrophobicContact CD2-CG2 3.65Å; Y236-I246 HydrophobicContact CE1-CD1 4.06Å; Y236-I246 HydrophobicContact CE2-CD1 4.14Å; Y236-I246 HydrophobicContact CE2-CG2 3.96Å; Y236-I246 HydrophobicContact CG-CB 4.06Å; Y236-I246 HydrophobicContact CG-CD1 3.72Å; Y236-I246 HydrophobicContact CG-CG1 4.35Å; Y236-I246 HydrophobicContact CG-CG2 4.39Å; Y236-F253 PolarHBondContact OH-O 2.8Å; Y236-Y254 AromaticContact CD1-CD2 3.5Å; Y236-Y254 HydrophobicContact CD1-CD2 3.5Å; Y236-Y254 VanDerWaalsContact CD1-CD2 3.5Å; Y236-Y254 AromaticContact CD1-CE2 3.62Å; Y236-Y254 HydrophobicContact CD1-CE2 3.62Å; Y236-Y254 AromaticContact CE1-CD2 3.35Å; Y236-Y254 HydrophobicContact CE1-CD2 3.35Å; Y236-Y254 AromaticContact CE1-CE2 3.95Å; Y236-Y254 HydrophobicContact CE1-CE2 3.95Å; Y236-Y254 HydrophobicContact CE1-CG 4.28Å; Y236-Y254 HydrophobicContact CG-CD2 4.45Å; Y236-N297 HydrophobicContact CD1-CB 3.82Å; Y236-N297 HydrophobicContact CE1-CB 3.67Å; Y236-N297 WeakPolarHBondContact CE1-OD1 3.19Å
237	E	98.8	Very high	98.4	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.023	29%	0.287	C	S	.	.			trans	-60.6	125.2	166.8	179.5	54.4	-105.6	0	0	110.1	R239 A244 Y245 I246 A288 V289	E237-R239 WeakPolarHBondContact OE1-CB 3.36Å; E237-R239 WeakPolarHBondContact OE1-CG 3.44Å; E237-R239 IonicContact OE1-CZ 3.6Å; E237-R239 PolarHBondContact OE1-N 2.83Å; E237-R239 IonicContact OE1-NE 3.45Å; E237-R239 PolarHBondContact OE1-NE 3.04Å; E237-R239 IonicContact OE1-NH2 3.88Å; E237-R239 IonicContact OE2-CZ 3.2Å; E237-R239 IonicContact OE2-NE 2.9Å; E237-R239 PolarHBondContact OE2-NE 2.84Å; E237-R239 IonicContact OE2-NH2 2.72Å; E237-R239 PolarHBondContact OE2-NH2 3.25Å; E237-A244 HydrophobicContact CB-CB 3.83Å; E237-A244 HydrophobicContact CG-CB 4.23Å; E237-Y245 WeakPolarHBondContact O-CA 3.2Å; E237-I246 PolarHBondContact O-N 3.03Å; E237-A288 WeakPolarHBondContact OE2-CA 3.47Å; E237-V289 HydrophobicContact CB-CG1 4.31Å; E237-V289 PolarHBondContact OE2-N 3.38Å
238	R	98.7	Very high	98.4	Very high	56 Å²	56	55.8 Å²	55.8	21%	0.211	30%	0.296	C	S	.	.			trans	-112.8	-3.7	-175.3	-55.8	-49.7	-176.4	160.3	3.3	113	R231 F234 Y236 P240 Y245 I246 P247	R231-R238 PolarHBondContact O-NH2 3.34Å; F234-R238 PolarHBondContact O-NH2 2.76Å; Y236-R238 WeakPolarHBondContact O-CD 3.49Å; Y236-R238 VanDerWaalsContact O-CG 3.31Å; Y236-R238 WeakPolarHBondContact O-CG 3.46Å; Y236-R238 PolarHBondContact O-N 3.34Å; Y236-R238 PolarHBondContact O-NE 3.33Å; R238-P240 WeakPolarHBondContact O-CD 3.42Å; R238-Y245 VanDerWaalsContact C-CD2 3.47Å; R238-Y245 WeakPolarHBondContact O-CD2 3.28Å; R238-Y245 WeakPolarHBondContact O-CE2 3.48Å; R238-I246 VanDerWaalsContact CD-O 3.29Å; R238-I246 WeakPolarHBondContact CD-O 3.43Å; R238-I246 PolarHBondContact NH1-O 3.23Å; R238-P247 VanDerWaalsContact NH1-C 3.27Å; R238-P247 PolarHBondContact NH1-O 3.43Å
239	R	98.8	Very high	98.5	Very high	103 Å²	103	58.3 Å²	58.3	39%	0.389	29%	0.292	S	S	.	.			trans	-81.6	114.6	173.6	-65.3	172.3	-68.2	171.5	1.8	109.2	E237 Q241 S242 I286 E287	E237-R239 WeakPolarHBondContact OE1-CB 3.36Å; E237-R239 WeakPolarHBondContact OE1-CG 3.44Å; E237-R239 IonicContact OE1-CZ 3.6Å; E237-R239 PolarHBondContact OE1-N 2.83Å; E237-R239 IonicContact OE1-NE 3.45Å; E237-R239 PolarHBondContact OE1-NE 3.04Å; E237-R239 IonicContact OE1-NH2 3.88Å; E237-R239 IonicContact OE2-CZ 3.2Å; E237-R239 IonicContact OE2-NE 2.9Å; E237-R239 PolarHBondContact OE2-NE 2.84Å; E237-R239 IonicContact OE2-NH2 2.72Å; E237-R239 PolarHBondContact OE2-NH2 3.25Å; R239-Q241 PolarHBondContact O-N 2.64Å; R239-S242 PolarHBondContact O-N 3.38Å; R239-S242 VanDerWaalsContact O-N 3.09Å; R239-I286 HydrophobicContact CB-CD1 4.15Å; R239-E287 PolarHBondContact NH2-O 2.89Å
240	P	98.7	Very high	98.5	Very high	84 Å²	84	58.7 Å²	58.7	55%	0.545	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.6	-177.9	-24	35.2	0	0	0	114.8	R238 S242 Y245	R238-P240 WeakPolarHBondContact O-CD 3.42Å; P240-S242 VanDerWaalsContact C-N 3.27Å; P240-S242 PolarHBondContact O-N 3.42Å; P240-Y245 HydrophobicContact CB-CD1 4.26Å; P240-Y245 HydrophobicContact CB-CE1 4.29Å; P240-Y245 HydrophobicContact CB-CG 4.38Å; P240-Y245 HydrophobicContact CG-CD2 4.34Å; P240-Y245 HydrophobicContact CG-CE1 4.34Å; P240-Y245 HydrophobicContact CG-CE2 4.02Å
241	Q	98.7	Very high	98.5	Very high	125 Å²	125	56.4 Å²	56.4	58%	0.584	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-23	177.6	-59.4	78.7	10.6	0	0	112.7	R239 I286	R239-Q241 PolarHBondContact O-N 2.64Å; Q241-I286 HydrophobicContact CB-CD1 4.07Å
242	S	98.9	Very high	98.6	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.021	27%	0.266	C	S	.	.	S	Bend	trans	-87	141.7	178.5	167.6	0	0	0	0	111.5	R239 P240 A244 Y245 D281	R239-S242 PolarHBondContact O-N 3.38Å; R239-S242 VanDerWaalsContact O-N 3.09Å; P240-S242 VanDerWaalsContact C-N 3.27Å; P240-S242 PolarHBondContact O-N 3.42Å; S242-A244 PolarHBondContact O-N 3.28Å; S242-A244 WeakPolarHBondContact OG-CB 3.48Å; S242-A244 PolarHBondContact OG-N 2.91Å; S242-Y245 VanDerWaalsContact O-CB 3.24Å; S242-Y245 WeakPolarHBondContact O-CB 3.31Å; S242-Y245 PolarHBondContact O-N 2.74Å; S242-D281 WeakPolarHBondContact CA-OD1 3.45Å; S242-D281 WeakPolarHBondContact CB-OD2 3.39Å; S242-D281 PolarHBondContact OG-OD2 3.01Å
243	Q	98.8	Very high	98.7	Very high	86 Å²	86	50.4 Å²	50.4	40%	0.402	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.3	170.3	-64.9	-54	-59.9	0	0	112.5	Y245 A277 V280 D281 K298	Q243-Y245 VanDerWaalsContact C-N 3.26Å; Q243-Y245 PolarHBondContact O-N 2.91Å; Q243-A277 HydrophobicContact CB-CB 3.82Å; Q243-A277 HydrophobicContact CG-CB 4.36Å; Q243-V280 HydrophobicContact CG-CB 3.8Å; Q243-V280 HydrophobicContact CG-CG1 3.6Å; Q243-D281 WeakPolarHBondContact CG-OD1 3.42Å; Q243-D281 PolarHBondContact N-OD1 2.8Å; Q243-K298 PolarHBondContact O-NZ 2.69Å
244	A	98.8	Very high	98.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.9	177.3	0	0	0	0	0	114.1	E237 S242 I246 A288	E237-A244 HydrophobicContact CB-CB 3.83Å; E237-A244 HydrophobicContact CG-CB 4.23Å; S242-A244 PolarHBondContact O-N 3.28Å; S242-A244 WeakPolarHBondContact OG-CB 3.48Å; S242-A244 PolarHBondContact OG-N 2.91Å; A244-I246 PolarHBondContact O-N 2.83Å; A244-A288 HydrophobicContact CB-CB 3.95Å
245	Y	98.9	Very high	98.7	Very high	72 Å²	72	47.7 Å²	47.7	28%	0.282	23%	0.23	S	C	.	.			trans	-54.9	131.8	-176.8	174.7	-118	0	0	0	113.4	E237 R238 P240 S242 Q243 P247 K298	E237-Y245 WeakPolarHBondContact O-CA 3.2Å; R238-Y245 VanDerWaalsContact C-CD2 3.47Å; R238-Y245 WeakPolarHBondContact O-CD2 3.28Å; R238-Y245 WeakPolarHBondContact O-CE2 3.48Å; P240-Y245 HydrophobicContact CB-CD1 4.26Å; P240-Y245 HydrophobicContact CB-CE1 4.29Å; P240-Y245 HydrophobicContact CB-CG 4.38Å; P240-Y245 HydrophobicContact CG-CD2 4.34Å; P240-Y245 HydrophobicContact CG-CE1 4.34Å; P240-Y245 HydrophobicContact CG-CE2 4.02Å; S242-Y245 VanDerWaalsContact O-CB 3.24Å; S242-Y245 WeakPolarHBondContact O-CB 3.31Å; S242-Y245 PolarHBondContact O-N 2.74Å; Q243-Y245 VanDerWaalsContact C-N 3.26Å; Q243-Y245 PolarHBondContact O-N 2.91Å; Y245-P247 HydrophobicContact CE1-CG 3.69Å; Y245-K298 PolarHBondContact O-NZ 2.91Å
246	I	98.9	Very high	98.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.			trans	-130	123.3	169.9	-57.3	178.9	0	0	0	109.1	Y236 E237 R238 A244 E250 N297 K298 L301	Y236-I246 HydrophobicContact CD1-CD1 3.81Å; Y236-I246 HydrophobicContact CD2-CB 3.79Å; Y236-I246 HydrophobicContact CD2-CD1 3.89Å; Y236-I246 HydrophobicContact CD2-CG1 4.4Å; Y236-I246 HydrophobicContact CD2-CG2 3.65Å; Y236-I246 HydrophobicContact CE1-CD1 4.06Å; Y236-I246 HydrophobicContact CE2-CD1 4.14Å; Y236-I246 HydrophobicContact CE2-CG2 3.96Å; Y236-I246 HydrophobicContact CG-CB 4.06Å; Y236-I246 HydrophobicContact CG-CD1 3.72Å; Y236-I246 HydrophobicContact CG-CG1 4.35Å; Y236-I246 HydrophobicContact CG-CG2 4.39Å; E237-I246 PolarHBondContact O-N 3.03Å; R238-I246 VanDerWaalsContact CD-O 3.29Å; R238-I246 WeakPolarHBondContact CD-O 3.43Å; R238-I246 PolarHBondContact NH1-O 3.23Å; A244-I246 PolarHBondContact O-N 2.83Å; I246-E250 HydrophobicContact CG2-CB 3.83Å; I246-N297 HydrophobicContact CD1-CB 4.3Å; I246-K298 HydrophobicContact CD1-CB 4.47Å; I246-K298 HydrophobicContact CG1-CD 4.26Å; I246-L301 HydrophobicContact CB-CD2 4.46Å; I246-L301 HydrophobicContact CD1-CD2 3.93Å; I246-L301 HydrophobicContact CG1-CD2 3.99Å; I246-L301 HydrophobicContact CG2-CD2 3.7Å
247	P	98.6	Very high	98.4	Very high	22 Å²	22	46.1 Å²	46.1	14%	0.143	22%	0.222	C	C	.	.			trans	-58.3	159.3	172.8	-28.2	37.6	0	0	0	114.3	R238 Y245 D249 E250	R238-P247 VanDerWaalsContact NH1-C 3.27Å; R238-P247 PolarHBondContact NH1-O 3.43Å; Y245-P247 HydrophobicContact CE1-CG 3.69Å; P247-D249 VanDerWaalsContact C-N 3.26Å; P247-D249 WeakPolarHBondContact CB-OD1 3.19Å; P247-D249 PolarHBondContact O-N 2.87Å; P247-E250 HydrophobicContact CB-CB 4.39Å; P247-E250 HydrophobicContact CB-CG 4.25Å; P247-E250 HydrophobicContact CG-CG 4.33Å; P247-E250 WeakPolarHBondContact CG-OE1 3.46Å; P247-E250 PolarHBondContact O-N 3.21Å
248	K	98.3	Very high	98.2	Very high	119 Å²	119	45.9 Å²	45.9	52%	0.517	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.8	-176.2	-79.5	-70	-166.9	179.8	0	113.6	E232	E232-K248 HydrophobicContact CB-CD 4.23Å; E232-K248 PolarHBondContact O-NZ 2.9Å
249	D	98.4	Very high	98.2	Very high	126 Å²	126	43.2 Å²	43.2	67%	0.674	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-8.1	178.6	58.2	-27.3	0	0	0	113.4	R231 P247	R231-D249 WeakPolarHBondContact CD-O 3.42Å; P247-D249 VanDerWaalsContact C-N 3.26Å; P247-D249 WeakPolarHBondContact CB-OD1 3.19Å; P247-D249 PolarHBondContact O-N 2.87Å
250	E	98.8	Very high	98.2	Very high	58 Å²	58	38.4 Å²	38.4	27%	0.271	19%	0.193	S	C	.	.			trans	-100.1	158	173.9	-68.5	-169.3	-124.1	0	0	112.5	I246 P247 L301 R302	I246-E250 HydrophobicContact CG2-CB 3.83Å; P247-E250 HydrophobicContact CB-CB 4.39Å; P247-E250 HydrophobicContact CB-CG 4.25Å; P247-E250 HydrophobicContact CG-CG 4.33Å; P247-E250 WeakPolarHBondContact CG-OE1 3.46Å; P247-E250 PolarHBondContact O-N 3.21Å; E250-L301 HydrophobicContact CB-CD2 4.29Å; E250-R302 IonicContact OE1-NH2 3.25Å; E250-R302 PolarHBondContact OE1-NH2 2.55Å; E250-R302 IonicContact OE2-CZ 2.79Å; E250-R302 IonicContact OE2-NH1 3.73Å; E250-R302 PolarHBondContact OE2-NH1 2.95Å; E250-R302 IonicContact OE2-NH2 3.89Å; E250-R302 PolarHBondContact OE2-NH2 2.82Å
251	G	98.3	Very high	98.2	Very high	8 Å²	8	34.4 Å²	34.4	8%	0.082	17%	0.167	C	C	.	.			trans	119.6	128	178.7	0	0	0	0	0	113	R231	R231-G251 PolarHBondContact NE-O 2.77Å
252	D	98.7	Very high	98.2	Very high	56 Å²	56	28.5 Å²	28.5	30%	0.299	14%	0.139	S	C	.	.	S	Bend	trans	-89.6	-54.2	173.5	-42.4	-79.4	0	0	0	110.7	W80 K304	W80-D252 HydrophobicContact CH2-CB 3.71Å; W80-D252 HydrophobicContact CZ3-CB 3.67Å; W80-D252 VanDerWaalsContact CZ3-CG 3.47Å; W80-D252 WeakPolarHBondContact CZ3-OD1 3.48Å; D252-K304 VanDerWaalsContact CG-NZ 3.35Å; D252-K304 IonicContact OD1-NZ 3.73Å; D252-K304 PolarHBondContact OD1-NZ 2.88Å; D252-K304 IonicContact OD2-NZ 3.75Å; D252-K304 PolarHBondContact OD2-NZ 2.82Å
253	F	98.8	Very high	98.2	Very high	34 Å²	34	29.6 Å²	29.6	15%	0.149	15%	0.146	C	C	.	.			trans	-145.6	154.4	-177.9	-57.2	-71.7	0	0	0	110.6	L75 T78 W80 I84 L222 Y236 Y255	L75-F253 HydrophobicContact CD2-CZ 4.23Å; T78-F253 HydrophobicContact CG2-CE2 3.83Å; T78-F253 HydrophobicContact CG2-CZ 4.3Å; W80-F253 AromaticContact CH2-CD2 3.91Å; W80-F253 HydrophobicContact CH2-CD2 3.91Å; W80-F253 AromaticContact CH2-CE2 3.64Å; W80-F253 HydrophobicContact CH2-CE2 3.64Å; W80-F253 HydrophobicContact CZ2-CE2 4.34Å; W80-F253 HydrophobicContact CZ3-CE2 4.34Å; I84-F253 HydrophobicContact CD1-CE1 4.45Å; I84-F253 HydrophobicContact CD1-CZ 3.86Å; L222-F253 HydrophobicContact CD2-CB 3.46Å; L222-F253 VanDerWaalsContact CD2-CB 3.46Å; L222-F253 HydrophobicContact CD2-CD1 3.55Å; L222-F253 HydrophobicContact CD2-CD2 4.19Å; L222-F253 HydrophobicContact CD2-CE1 4.33Å; L222-F253 HydrophobicContact CD2-CG 3.47Å; L222-F253 VanDerWaalsContact CD2-CG 3.47Å; Y236-F253 PolarHBondContact OH-O 2.8Å; F253-Y255 HydrophobicContact CB-CD1 4.38Å; F253-Y255 HydrophobicContact CB-CE1 3.94Å; F253-Y255 HydrophobicContact CB-CE2 4.25Å; F253-Y255 HydrophobicContact CD2-CE1 4.12Å; F253-Y255 AromaticContact CD2-CZ 3.94Å; F253-Y255 WeakPolarHBondContact CD2-OH 3.45Å; F253-Y255 HydrophobicContact CG-CE1 4.45Å; F253-Y255 WeakPolarHBondContact O-CD2 3.5Å
254	Y	98.9	Very high	98.2	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.016	13%	0.129	C	C	.	.			trans	-89.6	107.1	167.1	-163.9	-93.9	0	0	0	109.7	H223 F226 F234 T235 Y236 E293	H223-Y254 HydrophobicContact CB-CD1 3.57Å; H223-Y254 HydrophobicContact CB-CE1 4.22Å; H223-Y254 WeakPolarHBondContact CB-O 3.34Å; H223-Y254 AromaticContact CD2-CE1 3.81Å; H223-Y254 AromaticContact CG-CD1 3.83Å; H223-Y254 PolarHBondContact N-O 3.26Å; F226-Y254 HydrophobicContact CB-CD1 4.26Å; F226-Y254 HydrophobicContact CB-CG 4.28Å; F226-Y254 AromaticContact CD2-CD1 3.38Å; F226-Y254 HydrophobicContact CD2-CD1 3.38Å; F226-Y254 AromaticContact CD2-CE1 3.75Å; F226-Y254 HydrophobicContact CD2-CE1 3.75Å; F226-Y254 AromaticContact CD2-CG 3.97Å; F226-Y254 HydrophobicContact CD2-CG 3.97Å; F226-Y254 AromaticContact CE2-CD1 3.96Å; F226-Y254 HydrophobicContact CE2-CD1 3.96Å; F226-Y254 AromaticContact CE2-CE1 3.84Å; F226-Y254 HydrophobicContact CE2-CE1 3.84Å; F226-Y254 HydrophobicContact CG-CD1 4.03Å; F226-Y254 HydrophobicContact CG-CG 4.19Å; F234-Y254 HydrophobicContact CB-CD2 3.79Å; F234-Y254 HydrophobicContact CB-CG 4.43Å; F234-Y254 HydrophobicContact CD1-CG 4.46Å; F234-Y254 HydrophobicContact CG-CD2 4.18Å; F234-Y254 HydrophobicContact CG-CG 4.39Å; T235-Y254 VanDerWaalsContact OG1-CZ 3.32Å; T235-Y254 PolarHBondContact OG1-OH 3.48Å; Y236-Y254 AromaticContact CD1-CD2 3.5Å; Y236-Y254 HydrophobicContact CD1-CD2 3.5Å; Y236-Y254 VanDerWaalsContact CD1-CD2 3.5Å; Y236-Y254 AromaticContact CD1-CE2 3.62Å; Y236-Y254 HydrophobicContact CD1-CE2 3.62Å; Y236-Y254 AromaticContact CE1-CD2 3.35Å; Y236-Y254 HydrophobicContact CE1-CD2 3.35Å; Y236-Y254 AromaticContact CE1-CE2 3.95Å; Y236-Y254 HydrophobicContact CE1-CE2 3.95Å; Y236-Y254 HydrophobicContact CE1-CG 4.28Å; Y236-Y254 HydrophobicContact CG-CD2 4.45Å; Y254-E293 HydrophobicContact CE1-CG 4.49Å; Y254-E293 WeakPolarHBondContact CE1-OE1 3.39Å; Y254-E293 PolarHBondContact OH-OE1 3.41Å
255	Y	98.9	Very high	98.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	149.8	-179.6	-53.7	-78.2	0	0	0	111.5	T221 F253 N297 L300 P305 V308	T221-Y255 CarbonylContact O-C 3.6Å; T221-Y255 WeakPolarHBondContact O-CA 3.47Å; F253-Y255 HydrophobicContact CB-CD1 4.38Å; F253-Y255 HydrophobicContact CB-CE1 3.94Å; F253-Y255 HydrophobicContact CB-CE2 4.25Å; F253-Y255 HydrophobicContact CD2-CE1 4.12Å; F253-Y255 AromaticContact CD2-CZ 3.94Å; F253-Y255 WeakPolarHBondContact CD2-OH 3.45Å; F253-Y255 HydrophobicContact CG-CE1 4.45Å; F253-Y255 WeakPolarHBondContact O-CD2 3.5Å; Y255-N297 WeakPolarHBondContact CD2-OD1 3.49Å; Y255-N297 PolarHBondContact N-OD1 3.33Å; Y255-N297 PolarHBondContact O-ND2 3Å; Y255-L300 HydrophobicContact CD1-CD1 4.03Å; Y255-L300 HydrophobicContact CD2-CB 3.76Å; Y255-L300 HydrophobicContact CD2-CD1 3.62Å; Y255-L300 HydrophobicContact CD2-CG 4.35Å; Y255-L300 HydrophobicContact CE1-CD1 4.46Å; Y255-L300 HydrophobicContact CE2-CB 3.63Å; Y255-L300 HydrophobicContact CE2-CD1 4.09Å; Y255-L300 HydrophobicContact CG-CD1 3.56Å; Y255-P305 HydrophobicContact CE1-CG 4.22Å; Y255-V308 HydrophobicContact CE1-CG1 4.06Å; Y255-V308 HydrophobicContact CE1-CG2 4.08Å
256	L	94.8	Very high	98.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.8	-176	-158.3	148.7	0	0	0	112.7	T221 H223 P224 G258 E293 L296 L314	T221-L256 PolarHBondContact O-N 3.45Å; H223-L256 HydrophobicContact CB-CB 4.19Å; H223-L256 HydrophobicContact CB-CD1 4.24Å; P224-L256 HydrophobicContact CG-CD1 4.28Å; L256-G258 VanDerWaalsContact C-N 3.26Å; L256-G258 VanDerWaalsContact CD2-CA 3.43Å; L256-G258 PolarHBondContact O-N 3.2Å; L256-E293 WeakPolarHBondContact CA-OE2 3.4Å; L256-L296 WeakPolarHBondContact O-CD2 3.45Å; L256-L314 HydrophobicContact CD1-CD1 3.86Å; L256-L314 HydrophobicContact CD1-CD2 3.42Å; L256-L314 VanDerWaalsContact CD1-CD2 3.42Å; L256-L314 HydrophobicContact CD1-CG 4.1Å; L256-L314 HydrophobicContact CD2-CD1 3.38Å; L256-L314 HydrophobicContact CD2-CD2 4.34Å; L256-L314 HydrophobicContact CD2-CG 4.44Å; L256-L314 HydrophobicContact CG-CD1 4.18Å
257	G	95.9	Very high	98.2	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-19.5	-179.7	0	0	0	0	0	115.4	R178 F260 E293	R178-G257 PolarHBondContact NH2-O 3.36Å; G257-F260 WeakPolarHBondContact O-CE1 3.35Å; G257-E293 PolarHBondContact N-OE2 3.29Å
258	G	95.3	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	9.1	-172.9	0	0	0	0	0	115.3	V200 D201 L256	V200-G258 CarbonylContact C-O 3.43Å; V200-G258 WeakPolarHBondContact CA-O 3.5Å; D201-G258 PolarHBondContact N-O 2.9Å; D201-G258 WeakPolarHBondContact OD1-CA 3.43Å; D201-G258 WeakPolarHBondContact OD2-CA 3.45Å; L256-G258 VanDerWaalsContact C-N 3.26Å; L256-G258 VanDerWaalsContact CD2-CA 3.43Å; L256-G258 PolarHBondContact O-N 3.2Å
259	F	98.7	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	100.7	165.5	-159	-25.9	0	0	0	111.3	V198 C199 V200 V210 I214 F219 T221 L309 Y313 L314 F331	V198-F259 HydrophobicContact CG1-CD1 4.19Å; V198-F259 HydrophobicContact CG1-CE1 3.51Å; V198-F259 HydrophobicContact CG1-CZ 4.14Å; C199-F259 WeakPolarHBondContact O-CA 3.11Å; V200-F259 HydrophobicContact CG1-CB 4.26Å; V200-F259 HydrophobicContact CG1-CD1 3.69Å; V200-F259 HydrophobicContact CG1-CD2 3.98Å; V200-F259 HydrophobicContact CG1-CE1 4.01Å; V200-F259 HydrophobicContact CG1-CE2 4.26Å; V200-F259 HydrophobicContact CG1-CG 3.71Å; V200-F259 HydrophobicContact CG1-CZ 4.29Å; V210-F259 HydrophobicContact CG1-CZ 4.1Å; I214-F259 HydrophobicContact CD1-CE1 4.1Å; I214-F259 HydrophobicContact CD1-CZ 4.02Å; F219-F259 AromaticContact CE2-CD1 3.67Å; F219-F259 HydrophobicContact CE2-CD1 3.67Å; F219-F259 AromaticContact CE2-CE1 3.61Å; F219-F259 HydrophobicContact CE2-CE1 3.61Å; F219-F259 HydrophobicContact CZ-CD1 4.24Å; F219-F259 AromaticContact CZ-CE1 3.87Å; F219-F259 HydrophobicContact CZ-CE1 3.87Å; T221-F259 VanDerWaalsContact CB-O 3.27Å; T221-F259 WeakPolarHBondContact CB-O 3.44Å; T221-F259 HydrophobicContact CG2-CB 4.47Å; T221-F259 PolarHBondContact N-O 2.94Å; T221-F259 PolarHBondContact OG1-O 2.91Å; F259-L309 HydrophobicContact CD1-CD1 4.3Å; F259-L309 HydrophobicContact CE1-CD1 3.9Å; F259-L309 HydrophobicContact CZ-CD1 4.1Å; F259-Y313 WeakPolarHBondContact CD2-O 3.38Å; F259-Y313 VanDerWaalsContact CE2-O 3.23Å; F259-Y313 WeakPolarHBondContact CE2-O 3.27Å; F259-L314 HydrophobicContact CB-CD1 3.88Å; F259-F331 AromaticContact CD2-CD1 3.79Å; F259-F331 HydrophobicContact CD2-CD1 3.79Å; F259-F331 HydrophobicContact CD2-CE1 4.13Å; F259-F331 HydrophobicContact CE2-CD1 4.07Å
260	F	98.9	Very high	98.3	Very high	2 Å²	2	23 Å²	23	1%	0.009	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	172.8	171.8	64.7	-87.5	0	0	0	110.1	M179 I182 C199 F219 G257 L270 T271 L296	M179-F260 HydrophobicContact CE-CE1 4.05Å; M179-F260 HydrophobicContact CE-CZ 4.01Å; M179-F260 HydrophobicContact SD-CZ 4.12Å; I182-F260 HydrophobicContact CD1-CZ 4.16Å; C199-F260 HydrophobicContact CB-CD1 4.24Å; C199-F260 HydrophobicContact CB-CD2 4.03Å; C199-F260 HydrophobicContact CB-CE1 3.82Å; C199-F260 HydrophobicContact CB-CE2 3.58Å; C199-F260 HydrophobicContact CB-CG 4.34Å; C199-F260 HydrophobicContact CB-CZ 3.47Å; C199-F260 VanDerWaalsContact CB-CZ 3.47Å; C199-F260 PolarHBondContact N-O 3.02Å; C199-F260 PolarHBondContact O-N 2.81Å; C199-F260 VanDerWaalsContact O-N 3.08Å; F219-F260 VanDerWaalsContact CZ-C 3.49Å; G257-F260 WeakPolarHBondContact O-CE1 3.35Å; F260-L270 HydrophobicContact CD2-CD1 4.44Å; F260-L270 HydrophobicContact CD2-CD2 4.14Å; F260-L270 HydrophobicContact CE2-CD2 3.93Å; F260-T271 HydrophobicContact CE2-CG2 4Å; F260-T271 HydrophobicContact CZ-CG2 4.33Å; F260-L296 HydrophobicContact CB-CD1 4.44Å; F260-L296 HydrophobicContact CD1-CD2 4.29Å; F260-L296 HydrophobicContact CG-CD1 4.42Å
261	G	98.9	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-167.2	176.7	0	0	0	0	0	112.9	L197 F219	L197-G261 CarbonylContact O-C 3.56Å; L197-G261 WeakPolarHBondContact O-CA 3.25Å; F219-G261 VanDerWaalsContact CD1-C 3.42Å; F219-G261 WeakPolarHBondContact CD1-O 3.16Å; F219-G261 VanDerWaalsContact CZ-CA 3.42Å; F219-G261 VanDerWaalsContact CZ-N 3.34Å; F219-G261 PolarHBondContact N-O 3.09Å; F219-G261 PolarHBondContact O-N 3.09Å
262	G	98.9	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-166	-175	0	0	0	0	0	112.5	Y196 L197 T216 P217 V267	Y196-G262 CarbonylContact C-O 3.47Å; Y196-G262 VanDerWaalsContact CA-O 3.26Å; Y196-G262 WeakPolarHBondContact CA-O 3.39Å; L197-G262 PolarHBondContact N-O 3.26Å; L197-G262 PolarHBondContact O-N 2.61Å; T216-G262 CarbonylContact O-C 3.5Å; T216-G262 VanDerWaalsContact O-CA 3.29Å; T216-G262 WeakPolarHBondContact O-CA 3.21Å; P217-G262 CarbonylContact O-C 3.1Å; P217-G262 WeakPolarHBondContact O-CA 3.26Å; G262-V267 VanDerWaalsContact N-CG2 3.33Å
263	S	98.9	Very high	98.3	Very high	26 Å²	26	23 Å²	23	18%	0.182	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	152.1	164.7	68.6	0	0	0	0	109.8	T216 P217 Q265 E266 V267	T216-S263 PolarHBondContact O-N 2.81Å; P217-S263 PolarHBondContact O-N 3.25Å; P217-S263 PolarHBondContact O-OG 3.45Å; S263-Q265 PolarHBondContact O-N 3.23Å; S263-Q265 VanDerWaalsContact O-N 3.15Å; S263-E266 PolarHBondContact O-N 3.15Å; S263-E266 VanDerWaalsContact O-N 3.11Å; S263-E266 WeakPolarHBondContact OG-CG 3.36Å; S263-E266 PolarHBondContact OG-N 3.02Å; S263-V267 PolarHBondContact O-N 2.71Å
264	V	98.8	Very high	98.3	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.036	10%	0.101	C	C	.	.	H	α-helix	trans	-53.9	-39.2	179.6	-179.8	0	0	0	0	112	C186 F190 L191 V194 D195 L197 Q268	C186-V264 HydrophobicContact CB-CG1 4.19Å; F190-V264 HydrophobicContact CB-CG1 3.88Å; F190-V264 HydrophobicContact CB-CG2 4.28Å; L191-V264 HydrophobicContact CB-CG1 4.43Å; L191-V264 HydrophobicContact CD2-CB 4.07Å; L191-V264 HydrophobicContact CD2-CG1 3.61Å; L191-V264 HydrophobicContact CG-CG1 3.72Å; V194-V264 HydrophobicContact CG2-CG2 3.77Å; V194-V264 VanDerWaalsContact O-CG2 3.24Å; V194-V264 WeakPolarHBondContact O-CG2 3.13Å; D195-V264 PolarHBondContact O-N 3.44Å; L197-V264 HydrophobicContact CD1-CB 4.38Å; L197-V264 HydrophobicContact CD1-CG1 4.1Å; L197-V264 HydrophobicContact CD1-CG2 4.13Å; L197-V264 HydrophobicContact CG-CG2 4.13Å; V264-Q268 VanDerWaalsContact O-CB 3.32Å; V264-Q268 WeakPolarHBondContact O-CB 3.47Å; V264-Q268 PolarHBondContact O-N 3.47Å
265	Q	98.6	Very high	98.3	Very high	103 Å²	103	22.7 Å²	22.7	48%	0.481	11%	0.107	S	C	.	.	H	α-helix	trans	-63	-46.7	178.8	-177.3	177	58.6	0	0	112.5	S263 Q268 R269	S263-Q265 PolarHBondContact O-N 3.23Å; S263-Q265 VanDerWaalsContact O-N 3.15Å; Q265-Q268 WeakPolarHBondContact O-CB 3.39Å; Q265-Q268 PolarHBondContact O-N 3Å; Q265-R269 WeakPolarHBondContact O-CG 3.46Å; Q265-R269 PolarHBondContact O-N 3.07Å
266	E	98.8	Very high	98.3	Very high	34 Å²	34	28.2 Å²	28.2	16%	0.159	13%	0.133	C	C	.	.	H	α-helix	trans	-70	-38.2	179.8	-71.9	-58.5	108.1	0	0	112	P217 L218 S263 Q268 R269 L270	P217-E266 HydrophobicContact CB-CG 4.17Å; P217-E266 WeakPolarHBondContact O-CB 3.38Å; P217-E266 VanDerWaalsContact O-CG 3.27Å; P217-E266 WeakPolarHBondContact O-CG 3.28Å; L218-E266 HydrophobicContact CB-CB 4.28Å; L218-E266 HydrophobicContact CB-CG 4.46Å; S263-E266 PolarHBondContact O-N 3.15Å; S263-E266 VanDerWaalsContact O-N 3.11Å; S263-E266 WeakPolarHBondContact OG-CG 3.36Å; S263-E266 PolarHBondContact OG-N 3.02Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 3.34Å; E266-R269 PolarHBondContact O-N 3.02Å; E266-R269 WeakPolarHBondContact OE1-CD 3.32Å; E266-R269 IonicContact OE1-CZ 3.47Å; E266-R269 IonicContact OE1-NE 2.74Å; E266-R269 IonicContact OE1-NH1 3.76Å; E266-R269 PolarHBondContact OE1-NH1 3.31Å; E266-L270 WeakPolarHBondContact O-CB 3.2Å; E266-L270 PolarHBondContact O-N 3.24Å
267	V	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-40.6	174.2	173.2	0	0	0	0	110.7	I182 L197 G262 S263 L270 T271	I182-V267 HydrophobicContact CG2-CG1 3.81Å; L197-V267 HydrophobicContact CB-CB 4.32Å; L197-V267 HydrophobicContact CB-CG1 4.2Å; L197-V267 HydrophobicContact CB-CG2 4.04Å; L197-V267 HydrophobicContact CD1-CB 4.24Å; L197-V267 HydrophobicContact CD1-CG1 3.97Å; G262-V267 VanDerWaalsContact N-CG2 3.33Å; S263-V267 PolarHBondContact O-N 2.71Å; V267-L270 PolarHBondContact O-N 3.11Å; V267-T271 HydrophobicContact CG1-CG2 4.07Å; V267-T271 WeakPolarHBondContact O-CB 3.23Å; V267-T271 VanDerWaalsContact O-CG2 3.24Å; V267-T271 WeakPolarHBondContact O-CG2 3.37Å; V267-T271 PolarHBondContact O-N 3.36Å; V267-T271 PolarHBondContact O-OG1 3.03Å
268	Q	98.8	Very high	98.7	Very high	23 Å²	23	29.4 Å²	29.4	11%	0.107	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-46.7	173.5	-173.4	-170.8	27.3	0	0	111.8	C186 E187 V264 Q265 E266 T271 R272	C186-Q268 HydrophobicContact CB-CB 3.79Å; C186-Q268 HydrophobicContact CB-CG 3.81Å; E187-Q268 PolarHBondContact OE1-NE2 3.29Å; E187-Q268 VanDerWaalsContact OE1-NE2 3.14Å; V264-Q268 VanDerWaalsContact O-CB 3.32Å; V264-Q268 WeakPolarHBondContact O-CB 3.47Å; V264-Q268 PolarHBondContact O-N 3.47Å; Q265-Q268 WeakPolarHBondContact O-CB 3.39Å; Q265-Q268 PolarHBondContact O-N 3Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 3.34Å; Q268-T271 PolarHBondContact O-OG1 3.44Å; Q268-R272 WeakPolarHBondContact O-CB 3.32Å; Q268-R272 PolarHBondContact O-N 3.29Å
269	R	98.9	Very high	98.8	Very high	122 Å²	122	32 Å²	32	46%	0.46	15%	0.154	S	C	.	.	H	α-helix	trans	-59.4	-49.3	177.9	-73.2	169.7	179.1	172.7	0.9	111.5	Q265 E266 A273	Q265-R269 WeakPolarHBondContact O-CG 3.46Å; Q265-R269 PolarHBondContact O-N 3.07Å; E266-R269 PolarHBondContact O-N 3.02Å; E266-R269 WeakPolarHBondContact OE1-CD 3.32Å; E266-R269 IonicContact OE1-CZ 3.47Å; E266-R269 IonicContact OE1-NE 2.74Å; E266-R269 IonicContact OE1-NH1 3.76Å; E266-R269 PolarHBondContact OE1-NH1 3.31Å; R269-A273 VanDerWaalsContact O-CB 3.26Å; R269-A273 WeakPolarHBondContact O-CB 3.05Å; R269-A273 PolarHBondContact O-N 3.38Å
270	L	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-55.7	178.6	179.8	156.3	0	0	0	111.6	M179 L218 F260 E266 V267 R272 A273 C274 L296 Y299 L300	M179-L270 HydrophobicContact CE-CD2 4.5Å; M179-L270 HydrophobicContact SD-CD2 4.13Å; L218-L270 HydrophobicContact CD1-CD1 3.7Å; F260-L270 HydrophobicContact CD2-CD1 4.44Å; F260-L270 HydrophobicContact CD2-CD2 4.14Å; F260-L270 HydrophobicContact CE2-CD2 3.93Å; E266-L270 WeakPolarHBondContact O-CB 3.2Å; E266-L270 PolarHBondContact O-N 3.24Å; V267-L270 PolarHBondContact O-N 3.11Å; L270-R272 PolarHBondContact O-N 3.17Å; L270-A273 PolarHBondContact O-N 3.36Å; L270-C274 WeakPolarHBondContact O-CB 3.39Å; L270-C274 PolarHBondContact O-N 3.19Å; L270-C274 PolarHBondContact O-SG 3.02Å; L270-C274 VanDerWaalsContact O-SG 3.37Å; L270-L296 HydrophobicContact CD1-CD1 3.73Å; L270-L296 HydrophobicContact CD2-CD1 4.05Å; L270-L296 HydrophobicContact CG-CD1 4.28Å; L270-Y299 VanDerWaalsContact CA-CZ 3.47Å; L270-Y299 HydrophobicContact CB-CD1 3.96Å; L270-Y299 HydrophobicContact CB-CE1 3.58Å; L270-Y299 HydrophobicContact CB-CE2 4.44Å; L270-Y299 HydrophobicContact CD1-CD1 3.73Å; L270-Y299 HydrophobicContact CD1-CE1 3.92Å; L270-Y299 HydrophobicContact CG-CD1 3.63Å; L270-Y299 HydrophobicContact CG-CE1 3.81Å; L270-Y299 HydrophobicContact CG-CG 4.12Å; L270-Y299 PolarHBondContact N-OH 2.84Å; L270-L300 HydrophobicContact CD1-CD2 4.2Å
271	T	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-39.5	-173.1	53.6	0	0	0	0	111.5	M179 I182 S183 F260 V267 Q268 H275	M179-T271 WeakPolarHBondContact O-CB 3.5Å; M179-T271 HydrophobicContact SD-CG2 3.82Å; I182-T271 HydrophobicContact CB-CG2 4.02Å; I182-T271 HydrophobicContact CD1-CG2 4.39Å; I182-T271 HydrophobicContact CG2-CG2 3.8Å; S183-T271 WeakPolarHBondContact CB-OG1 3.45Å; F260-T271 HydrophobicContact CE2-CG2 4Å; F260-T271 HydrophobicContact CZ-CG2 4.33Å; V267-T271 HydrophobicContact CG1-CG2 4.07Å; V267-T271 WeakPolarHBondContact O-CB 3.23Å; V267-T271 VanDerWaalsContact O-CG2 3.24Å; V267-T271 WeakPolarHBondContact O-CG2 3.37Å; V267-T271 PolarHBondContact O-N 3.36Å; V267-T271 PolarHBondContact O-OG1 3.03Å; Q268-T271 PolarHBondContact O-OG1 3.44Å; T271-H275 VanDerWaalsContact O-CB 3.31Å; T271-H275 WeakPolarHBondContact O-CB 3.05Å; T271-H275 PolarHBondContact O-N 3.14Å
272	R	98.8	Very high	98.8	Very high	86 Å²	86	40.7 Å²	40.7	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-62.1	-47.2	172.5	-178.8	173.6	-63.6	160.9	2	112.6	E187 Q268 L270 H275 Q276	E187-R272 IonicContact OE1-CZ 3.49Å; E187-R272 IonicContact OE1-NH1 3.75Å; E187-R272 IonicContact OE1-NH2 2.7Å; E187-R272 PolarHBondContact OE1-NH2 3.05Å; Q268-R272 WeakPolarHBondContact O-CB 3.32Å; Q268-R272 PolarHBondContact O-N 3.29Å; L270-R272 PolarHBondContact O-N 3.17Å; R272-H275 PolarHBondContact O-N 3.43Å; R272-Q276 HydrophobicContact CG-CG 4.46Å; R272-Q276 WeakPolarHBondContact O-CB 3.18Å; R272-Q276 WeakPolarHBondContact O-CG 3.23Å; R272-Q276 PolarHBondContact O-N 2.59Å
273	A	98.9	Very high	98.8	Very high	34 Å²	34	44.7 Å²	44.7	28%	0.281	23%	0.232	S	C	.	.	H	α-helix	trans	-63.5	-44.4	-179.9	0	0	0	0	0	111.6	R269 L270 Q276 A277 Y299	R269-A273 VanDerWaalsContact O-CB 3.26Å; R269-A273 WeakPolarHBondContact O-CB 3.05Å; R269-A273 PolarHBondContact O-N 3.38Å; L270-A273 PolarHBondContact O-N 3.36Å; A273-Q276 PolarHBondContact O-N 3.29Å; A273-A277 WeakPolarHBondContact O-CB 3.44Å; A273-A277 PolarHBondContact O-N 3.31Å; A273-Y299 HydrophobicContact CB-CD2 3.67Å; A273-Y299 HydrophobicContact CB-CE2 3.63Å
274	C	98.9	Very high	98.7	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-60	-45.9	174.2	-72	0	0	0	0	111.4	M179 L270 A277 M278 H295	M179-C274 HydrophobicContact CB-CB 4.34Å; M179-C274 HydrophobicContact CG-CB 3.94Å; M179-C274 HydrophobicContact SD-CB 4.01Å; L270-C274 WeakPolarHBondContact O-CB 3.39Å; L270-C274 PolarHBondContact O-N 3.19Å; L270-C274 PolarHBondContact O-SG 3.02Å; L270-C274 VanDerWaalsContact O-SG 3.37Å; C274-A277 PolarHBondContact O-N 2.97Å; C274-M278 HydrophobicContact CB-CE 4.29Å; C274-M278 WeakPolarHBondContact O-CE 3.48Å; C274-M278 WeakPolarHBondContact O-CG 3.24Å; C274-M278 PolarHBondContact O-N 3.16Å; C274-H295 HydrophobicContact CB-CB 4.14Å
275	H	98.8	Very high	98.7	Very high	31 Å²	31	51.7 Å²	51.7	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-48.9	177.9	175.9	53.5	0	0	0	112.4	R177 M179 E180 T271 R272 A277 M278 M279	R177-H275 PolarHBondContact NH1-CE1 2.72Å; M179-H275 HydrophobicContact CB-CB 4.19Å; E180-H275 IonicContact OE2-CE1 3.42Å; E180-H275 PolarHBondContact OE2-CE1 2.68Å; T271-H275 VanDerWaalsContact O-CB 3.31Å; T271-H275 WeakPolarHBondContact O-CB 3.05Å; T271-H275 PolarHBondContact O-N 3.14Å; R272-H275 PolarHBondContact O-N 3.43Å; H275-A277 VanDerWaalsContact C-N 3.32Å; H275-A277 PolarHBondContact O-N 3.35Å; H275-M278 WeakPolarHBondContact O-CB 3.5Å; H275-M278 PolarHBondContact O-N 3.12Å; H275-M279 WeakPolarHBondContact O-CG 3.48Å; H275-M279 PolarHBondContact O-N 3.31Å
276	Q	98.9	Very high	98.7	Very high	117 Å²	117	48 Å²	48	55%	0.547	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-42.6	177.3	-72.2	174.6	-15.3	0	0	111.8	R272 A273 M278 M279 V280	R272-Q276 HydrophobicContact CG-CG 4.46Å; R272-Q276 WeakPolarHBondContact O-CB 3.18Å; R272-Q276 WeakPolarHBondContact O-CG 3.23Å; R272-Q276 PolarHBondContact O-N 2.59Å; A273-Q276 PolarHBondContact O-N 3.29Å; Q276-M278 VanDerWaalsContact C-N 3.35Å; Q276-M278 PolarHBondContact O-N 2.97Å; Q276-M279 PolarHBondContact O-N 2.9Å; Q276-M279 VanDerWaalsContact O-N 3.15Å; Q276-V280 WeakPolarHBondContact O-CG2 3.42Å; Q276-V280 PolarHBondContact O-N 3.36Å
277	A	98.8	Very high	98.7	Very high	21 Å²	21	49.1 Å²	49.1	17%	0.174	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-41.2	175.6	0	0	0	0	0	112.4	Q243 A273 C274 H275 M279 V280 D281 H295	Q243-A277 HydrophobicContact CB-CB 3.82Å; Q243-A277 HydrophobicContact CG-CB 4.36Å; A273-A277 WeakPolarHBondContact O-CB 3.44Å; A273-A277 PolarHBondContact O-N 3.31Å; C274-A277 PolarHBondContact O-N 2.97Å; H275-A277 VanDerWaalsContact C-N 3.32Å; H275-A277 PolarHBondContact O-N 3.35Å; A277-M279 VanDerWaalsContact C-N 3.31Å; A277-M279 PolarHBondContact O-N 3.17Å; A277-V280 PolarHBondContact O-N 3.26Å; A277-D281 PolarHBondContact O-N 2.67Å; A277-H295 WeakPolarHBondContact CB-ND1 3.38Å
278	M	98.6	Very high	98.7	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.049	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-35.8	173.8	-75.8	-176.4	-78.3	0	0	112.3	M176 M179 C274 H275 Q276 D281 Q282 D292 H295	M176-M278 HydrophobicContact CB-CE 4.47Å; M176-M278 HydrophobicContact CB-SD 3.53Å; M176-M278 VanDerWaalsContact CB-SD 3.53Å; M176-M278 HydrophobicContact CG-SD 3.6Å; M176-M278 VanDerWaalsContact CG-SD 3.6Å; M176-M278 VanDerWaalsContact O-CE 3.31Å; M176-M278 WeakPolarHBondContact O-CE 2.86Å; M176-M278 HydrophobicContact SD-SD 3.94Å; M179-M278 HydrophobicContact CB-CE 3.63Å; M179-M278 HydrophobicContact CG-CE 3.52Å; C274-M278 HydrophobicContact CB-CE 4.29Å; C274-M278 WeakPolarHBondContact O-CE 3.48Å; C274-M278 WeakPolarHBondContact O-CG 3.24Å; C274-M278 PolarHBondContact O-N 3.16Å; H275-M278 WeakPolarHBondContact O-CB 3.5Å; H275-M278 PolarHBondContact O-N 3.12Å; Q276-M278 VanDerWaalsContact C-N 3.35Å; Q276-M278 PolarHBondContact O-N 2.97Å; M278-D281 PolarHBondContact O-N 3.31Å; M278-Q282 WeakPolarHBondContact O-CB 3.21Å; M278-Q282 PolarHBondContact O-N 2.76Å; M278-D292 HydrophobicContact CE-CB 4.47Å; M278-D292 HydrophobicContact SD-CB 4.36Å; M278-H295 WeakPolarHBondContact CG-CD2 3.45Å; M278-H295 VanDerWaalsContact CG-NE2 3.31Å; M278-H295 WeakPolarHBondContact CG-NE2 3.35Å
279	M	98.7	Very high	98.7	Very high	56 Å²	56	51.4 Å²	51.4	28%	0.276	29%	0.289	S	S	.	.	H	α-helix	trans	-70.8	-34.9	178.1	-65.1	-54.7	90.4	0	0	111.9	R177 H275 Q276 A277 Q282 A283	R177-M279 PolarHBondContact NH1-SD 3.15Å; R177-M279 VanDerWaalsContact NH2-CE 3.31Å; H275-M279 WeakPolarHBondContact O-CG 3.48Å; H275-M279 PolarHBondContact O-N 3.31Å; Q276-M279 PolarHBondContact O-N 2.9Å; Q276-M279 VanDerWaalsContact O-N 3.15Å; A277-M279 VanDerWaalsContact C-N 3.31Å; A277-M279 PolarHBondContact O-N 3.17Å; M279-Q282 PolarHBondContact O-N 3.09Å; M279-Q282 PolarHBondContact SD-OE1 3.18Å; M279-A283 WeakPolarHBondContact O-CB 3.23Å; M279-A283 PolarHBondContact O-N 3.47Å
280	V	98.8	Very high	98.6	Very high	62 Å²	62	47.6 Å²	47.6	38%	0.376	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-45.1	171.6	173.7	0	0	0	0	110.9	Q243 Q276 A277 Q282 A283 N284	Q243-V280 HydrophobicContact CG-CB 3.8Å; Q243-V280 HydrophobicContact CG-CG1 3.6Å; Q276-V280 WeakPolarHBondContact O-CG2 3.42Å; Q276-V280 PolarHBondContact O-N 3.36Å; A277-V280 PolarHBondContact O-N 3.26Å; V280-Q282 VanDerWaalsContact C-N 3.35Å; V280-Q282 PolarHBondContact O-N 2.98Å; V280-A283 PolarHBondContact O-N 2.81Å; V280-N284 WeakPolarHBondContact O-CB 3.23Å; V280-N284 PolarHBondContact O-N 3.5Å; V280-N284 PolarHBondContact O-ND2 2.73Å
281	D	98.8	Very high	98.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.011	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-45.2	175.8	-85	11.6	0	0	0	111.5	S242 Q243 A277 M278 A283 N284 G285 I286 H295	S242-D281 WeakPolarHBondContact CA-OD1 3.45Å; S242-D281 WeakPolarHBondContact CB-OD2 3.39Å; S242-D281 PolarHBondContact OG-OD2 3.01Å; Q243-D281 WeakPolarHBondContact CG-OD1 3.42Å; Q243-D281 PolarHBondContact N-OD1 2.8Å; A277-D281 PolarHBondContact O-N 2.67Å; M278-D281 PolarHBondContact O-N 3.31Å; D281-A283 VanDerWaalsContact C-N 3.34Å; D281-A283 PolarHBondContact O-N 3.23Å; D281-N284 CarbonylContact O-C 3.58Å; D281-N284 PolarHBondContact O-N 3.08Å; D281-N284 VanDerWaalsContact O-N 3.1Å; D281-G285 PolarHBondContact O-N 3.43Å; D281-G285 VanDerWaalsContact O-N 3.1Å; D281-I286 CarbonylContact C-O 3.45Å; D281-I286 HydrophobicContact CB-CG2 3.77Å; D281-I286 WeakPolarHBondContact CB-O 3.26Å; D281-I286 WeakPolarHBondContact O-CG2 3.44Å; D281-I286 PolarHBondContact O-N 3.23Å; D281-H295 IonicContact OD2-CE1 2.91Å; D281-H295 PolarHBondContact OD2-CE1 3.31Å; D281-H295 VanDerWaalsContact OD2-CE1 3.27Å; D281-H295 IonicContact OD2-NE2 3.71Å
282	Q	98.1	Very high	98.6	Very high	119 Å²	119	48.8 Å²	48.8	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-57.7	-45.3	174.8	-175	179.1	16.4	0	0	112	M278 M279 V280 N284 G285	M278-Q282 WeakPolarHBondContact O-CB 3.21Å; M278-Q282 PolarHBondContact O-N 2.76Å; M279-Q282 PolarHBondContact O-N 3.09Å; M279-Q282 PolarHBondContact SD-OE1 3.18Å; V280-Q282 VanDerWaalsContact C-N 3.35Å; V280-Q282 PolarHBondContact O-N 2.98Å; Q282-N284 VanDerWaalsContact C-N 3.25Å; Q282-N284 PolarHBondContact O-N 3.1Å; Q282-G285 PolarHBondContact O-N 2.81Å; Q282-G285 VanDerWaalsContact O-N 3.09Å
283	A	98.5	Very high	98.6	Very high	85 Å²	85	45 Å²	45	70%	0.702	27%	0.266	S	S	*	.	H	α-helix	trans	-64.7	-30.6	178.2	0	0	0	0	0	112.6	M279 V280 D281 G285	M279-A283 WeakPolarHBondContact O-CB 3.23Å; M279-A283 PolarHBondContact O-N 3.47Å; V280-A283 PolarHBondContact O-N 2.81Å; D281-A283 VanDerWaalsContact C-N 3.34Å; D281-A283 PolarHBondContact O-N 3.23Å; A283-G285 VanDerWaalsContact C-N 3.29Å
284	N	98.4	Very high	98.6	Very high	104 Å²	104	43.4 Å²	43.4	56%	0.556	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	3.5	175.4	-67.8	-26.1	0	0	0	113.5	V280 D281 Q282 I286	V280-N284 WeakPolarHBondContact O-CB 3.23Å; V280-N284 PolarHBondContact O-N 3.5Å; V280-N284 PolarHBondContact O-ND2 2.73Å; D281-N284 CarbonylContact O-C 3.58Å; D281-N284 PolarHBondContact O-N 3.08Å; D281-N284 VanDerWaalsContact O-N 3.1Å; Q282-N284 VanDerWaalsContact C-N 3.25Å; Q282-N284 PolarHBondContact O-N 3.1Å; N284-I286 VanDerWaalsContact C-N 3.31Å; N284-I286 HydrophobicContact CB-CG2 4.26Å; N284-I286 PolarHBondContact O-N 2.84Å
285	G	98.4	Very high	98.6	Very high	75 Å²	75	43.6 Å²	43.6	77%	0.773	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	26.9	179.5	0	0	0	0	0	114	D281 Q282 A283	D281-G285 PolarHBondContact O-N 3.43Å; D281-G285 VanDerWaalsContact O-N 3.1Å; Q282-G285 PolarHBondContact O-N 2.81Å; Q282-G285 VanDerWaalsContact O-N 3.09Å; A283-G285 VanDerWaalsContact C-N 3.29Å
286	I	98.5	Very high	98.6	Very high	24 Å²	24	42.1 Å²	42.1	12%	0.123	25%	0.247	C	C	.	.			trans	-121.1	145.9	177.5	-168.6	164.1	0	0	0	110.4	R239 Q241 D281 N284	R239-I286 HydrophobicContact CB-CD1 4.15Å; Q241-I286 HydrophobicContact CB-CD1 4.07Å; D281-I286 CarbonylContact C-O 3.45Å; D281-I286 HydrophobicContact CB-CG2 3.77Å; D281-I286 WeakPolarHBondContact CB-O 3.26Å; D281-I286 WeakPolarHBondContact O-CG2 3.44Å; D281-I286 PolarHBondContact O-N 3.23Å; N284-I286 VanDerWaalsContact C-N 3.31Å; N284-I286 HydrophobicContact CB-CG2 4.26Å; N284-I286 PolarHBondContact O-N 2.84Å
287	E	98.8	Very high	98.6	Very high	59 Å²	59	36.6 Å²	36.6	28%	0.276	22%	0.221	S	C	.	.			trans	-126.5	127.9	171.5	-177.5	175	96.7	0	0	107.3	R170 M176 R239 H291	R170-E287 IonicContact CZ-OE1 2.67Å; R170-E287 IonicContact CZ-OE2 3.41Å; R170-E287 VanDerWaalsContact CZ-OE2 3.28Å; R170-E287 IonicContact NH1-OE1 3.68Å; R170-E287 IonicContact NH1-OE2 3.6Å; R170-E287 PolarHBondContact NH1-OE2 3.41Å; R170-E287 IonicContact NH2-OE1 3.6Å; R170-E287 PolarHBondContact NH2-OE1 2.85Å; R170-E287 IonicContact NH2-OE2 2.64Å; R170-E287 PolarHBondContact NH2-OE2 3.3Å; M176-E287 HydrophobicContact CE-CG 4.27Å; M176-E287 WeakPolarHBondContact CE-OE2 3.47Å; M176-E287 HydrophobicContact SD-CG 4.2Å; R239-E287 PolarHBondContact NH2-O 2.89Å; E287-H291 IonicContact OE1-CD2 3.58Å; E287-H291 IonicContact OE1-NE2 3.46Å
288	A	98.6	Very high	98.6	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	22%	0.223	C	C	.	.			trans	-63.9	146.2	-175.6	0	0	0	0	0	112	E237 A244 W290 H291	E237-A288 WeakPolarHBondContact OE2-CA 3.47Å; A244-A288 HydrophobicContact CB-CB 3.95Å; A288-W290 VanDerWaalsContact C-N 3.25Å; A288-W290 PolarHBondContact O-N 3.16Å; A288-W290 VanDerWaalsContact O-N 3.11Å; A288-H291 PolarHBondContact O-N 2.97Å
289	V	98.4	Very high	98.6	Very high	69 Å²	69	38.3 Å²	38.3	42%	0.418	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.3	-169.7	65.1	0	0	0	0	114.6	E237	E237-V289 HydrophobicContact CB-CG1 4.31Å; E237-V289 PolarHBondContact OE2-N 3.38Å
290	W	98.1	Very high	98.6	Very high	42 Å²	42	35.6 Å²	35.6	16%	0.159	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	39.7	173.5	-63.8	115.5	0	0	0	111.7	T235 A288 D292 E293 S294 R362 F365	T235-W290 PolarHBondContact OG1-NE1 3.08Å; A288-W290 VanDerWaalsContact C-N 3.25Å; A288-W290 PolarHBondContact O-N 3.16Å; A288-W290 VanDerWaalsContact O-N 3.11Å; W290-D292 PolarHBondContact O-N 2.8Å; W290-E293 HydrophobicContact CB-CB 4.29Å; W290-E293 WeakPolarHBondContact O-CB 3.37Å; W290-E293 PolarHBondContact O-N 2.95Å; W290-S294 WeakPolarHBondContact CA-OG 3.36Å; W290-S294 WeakPolarHBondContact CB-OG 3.29Å; W290-S294 PolarHBondContact N-OG 2.85Å; W290-S294 PolarHBondContact O-N 2.89Å; W290-R362 HydrophobicContact CH2-CB 4.37Å; W290-F365 AromaticContact CE3-CD2 3.99Å; W290-F365 HydrophobicContact CE3-CD2 3.99Å; W290-F365 HydrophobicContact CZ3-CB 4.27Å; W290-F365 AromaticContact CZ3-CD2 3.86Å; W290-F365 HydrophobicContact CZ3-CD2 3.86Å; W290-F365 HydrophobicContact CZ3-CG 4.49Å
291	H	98.6	Very high	98.6	Very high	20 Å²	20	33.2 Å²	33.2	9%	0.093	20%	0.196	C	C	.	.	H	α-helix	trans	53.1	-130.7	166.8	-44.2	98.1	0	0	0	112.1	W171 Q172 M176 E287 A288 E293 S294 H295	W171-H291 AromaticContact CH2-CE1 3.26Å; W171-H291 WeakPolarHBondContact CH2-CE1 3.23Å; W171-H291 AromaticContact CH2-ND1 3.68Å; W171-H291 AromaticContact CZ2-CE1 3.89Å; W171-H291 AromaticContact CZ3-CE1 3.9Å; W171-H291 AromaticContact CZ3-ND1 3.91Å; Q172-H291 VanDerWaalsContact CG-CD2 3.47Å; Q172-H291 WeakPolarHBondContact CG-CD2 2.82Å; Q172-H291 WeakPolarHBondContact CG-NE2 3.43Å; M176-H291 HydrophobicContact CG-CB 3.71Å; M176-H291 HydrophobicContact SD-CB 4.11Å; E287-H291 IonicContact OE1-CD2 3.58Å; E287-H291 IonicContact OE1-NE2 3.46Å; A288-H291 PolarHBondContact O-N 2.97Å; H291-E293 VanDerWaalsContact C-N 3.3Å; H291-E293 PolarHBondContact O-N 3.18Å; H291-S294 WeakPolarHBondContact O-CB 3.4Å; H291-S294 PolarHBondContact O-N 2.73Å; H291-H295 PolarHBondContact O-CD2 3.03Å; H291-H295 VanDerWaalsContact O-CD2 3.27Å
292	D	98.4	Very high	98.6	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-32.7	177.8	49	-57.4	0	0	0	114.1	S175 R178 M179 M278 W290 S294 H295 L296	S175-D292 WeakPolarHBondContact CB-OD1 3.27Å; S175-D292 PolarHBondContact OG-OD1 3.31Å; S175-D292 PolarHBondContact OG-OD2 3.18Å; R178-D292 IonicContact CZ-OD2 2.89Å; R178-D292 IonicContact NE-OD2 3.76Å; R178-D292 IonicContact NH2-OD2 2.8Å; R178-D292 PolarHBondContact NH2-OD2 3.39Å; M179-D292 HydrophobicContact CE-CB 3.91Å; M179-D292 HydrophobicContact CG-CB 4.29Å; M278-D292 HydrophobicContact CE-CB 4.47Å; M278-D292 HydrophobicContact SD-CB 4.36Å; W290-D292 PolarHBondContact O-N 2.8Å; D292-S294 VanDerWaalsContact C-N 3.28Å; D292-S294 PolarHBondContact O-N 3.5Å; D292-H295 PolarHBondContact O-N 3.01Å; D292-L296 WeakPolarHBondContact O-CB 3.42Å; D292-L296 PolarHBondContact O-N 2.87Å
293	E	98.8	Very high	98.7	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-34.8	177.3	-178.1	174.3	94.6	0	0	111.8	H223 Y254 L256 G257 W290 H291 L296 N297	H223-E293 IonicContact CD2-OE2 3.61Å; Y254-E293 HydrophobicContact CE1-CG 4.49Å; Y254-E293 WeakPolarHBondContact CE1-OE1 3.39Å; Y254-E293 PolarHBondContact OH-OE1 3.41Å; L256-E293 WeakPolarHBondContact CA-OE2 3.4Å; G257-E293 PolarHBondContact N-OE2 3.29Å; W290-E293 HydrophobicContact CB-CB 4.29Å; W290-E293 WeakPolarHBondContact O-CB 3.37Å; W290-E293 PolarHBondContact O-N 2.95Å; H291-E293 VanDerWaalsContact C-N 3.3Å; H291-E293 PolarHBondContact O-N 3.18Å; E293-L296 PolarHBondContact O-N 3.46Å; E293-N297 PolarHBondContact O-N 2.83Å; E293-N297 PolarHBondContact O-ND2 3.22Å
294	S	98.9	Very high	98.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-43.6	175.3	-64.3	0	0	0	0	111.6	W290 H291 D292 N297 K298	W290-S294 WeakPolarHBondContact CA-OG 3.36Å; W290-S294 WeakPolarHBondContact CB-OG 3.29Å; W290-S294 PolarHBondContact N-OG 2.85Å; W290-S294 PolarHBondContact O-N 2.89Å; H291-S294 WeakPolarHBondContact O-CB 3.4Å; H291-S294 PolarHBondContact O-N 2.73Å; D292-S294 VanDerWaalsContact C-N 3.28Å; D292-S294 PolarHBondContact O-N 3.5Å; S294-N297 PolarHBondContact O-N 3.15Å; S294-K298 PolarHBondContact O-N 3.43Å; S294-K298 VanDerWaalsContact O-N 3.15Å
295	H	98.9	Very high	98.7	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-37.4	177.1	-66.7	-81.7	0	0	0	112.2	C274 A277 M278 D281 H291 D292 N297 K298 Y299	C274-H295 HydrophobicContact CB-CB 4.14Å; A277-H295 WeakPolarHBondContact CB-ND1 3.38Å; M278-H295 WeakPolarHBondContact CG-CD2 3.45Å; M278-H295 VanDerWaalsContact CG-NE2 3.31Å; M278-H295 WeakPolarHBondContact CG-NE2 3.35Å; D281-H295 IonicContact OD2-CE1 2.91Å; D281-H295 PolarHBondContact OD2-CE1 3.31Å; D281-H295 VanDerWaalsContact OD2-CE1 3.27Å; D281-H295 IonicContact OD2-NE2 3.71Å; H291-H295 PolarHBondContact O-CD2 3.03Å; H291-H295 VanDerWaalsContact O-CD2 3.27Å; D292-H295 PolarHBondContact O-N 3.01Å; H295-N297 PolarHBondContact O-N 3.27Å; H295-K298 PolarHBondContact O-N 3Å; H295-Y299 PolarHBondContact O-N 2.93Å
296	L	98.9	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-49.4	173.3	173.8	65.9	0	0	0	111.2	L256 F260 L270 D292 E293 K298 Y299 L300	L256-L296 WeakPolarHBondContact O-CD2 3.45Å; F260-L296 HydrophobicContact CB-CD1 4.44Å; F260-L296 HydrophobicContact CD1-CD2 4.29Å; F260-L296 HydrophobicContact CG-CD1 4.42Å; L270-L296 HydrophobicContact CD1-CD1 3.73Å; L270-L296 HydrophobicContact CD2-CD1 4.05Å; L270-L296 HydrophobicContact CG-CD1 4.28Å; D292-L296 WeakPolarHBondContact O-CB 3.42Å; D292-L296 PolarHBondContact O-N 2.87Å; E293-L296 PolarHBondContact O-N 3.46Å; L296-K298 VanDerWaalsContact C-N 3.31Å; L296-K298 PolarHBondContact O-N 3.39Å; L296-Y299 WeakPolarHBondContact O-CB 3.46Å; L296-Y299 PolarHBondContact O-N 2.74Å; L296-Y299 VanDerWaalsContact O-N 3.14Å; L296-L300 HydrophobicContact CD1-CD1 3.82Å; L296-L300 HydrophobicContact CD1-CG 4.02Å; L296-L300 HydrophobicContact CG-CD1 4.05Å; L296-L300 HydrophobicContact CG-CG 4.5Å; L296-L300 WeakPolarHBondContact O-CG 3.42Å; L296-L300 PolarHBondContact O-N 3.24Å
297	N	98.9	Very high	98.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-41.5	178.9	-85	-79.4	0	0	0	112	Y236 I246 Y255 E293 S294 H295 Y299 L300 L301	Y236-N297 HydrophobicContact CD1-CB 3.82Å; Y236-N297 HydrophobicContact CE1-CB 3.67Å; Y236-N297 WeakPolarHBondContact CE1-OD1 3.19Å; I246-N297 HydrophobicContact CD1-CB 4.3Å; Y255-N297 WeakPolarHBondContact CD2-OD1 3.49Å; Y255-N297 PolarHBondContact N-OD1 3.33Å; Y255-N297 PolarHBondContact O-ND2 3Å; E293-N297 PolarHBondContact O-N 2.83Å; E293-N297 PolarHBondContact O-ND2 3.22Å; S294-N297 PolarHBondContact O-N 3.15Å; H295-N297 PolarHBondContact O-N 3.27Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; N297-L300 PolarHBondContact O-N 3Å; N297-L301 WeakPolarHBondContact O-CB 3.49Å; N297-L301 PolarHBondContact O-N 2.88Å
298	K	98.9	Very high	98.8	Very high	48 Å²	48	29.5 Å²	29.5	21%	0.209	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-43.5	173.7	175.6	58.3	165.6	-77.5	0	111.8	Q243 Y245 I246 S294 H295 L296 R302	Q243-K298 PolarHBondContact O-NZ 2.69Å; Y245-K298 PolarHBondContact O-NZ 2.91Å; I246-K298 HydrophobicContact CD1-CB 4.47Å; I246-K298 HydrophobicContact CG1-CD 4.26Å; S294-K298 PolarHBondContact O-N 3.43Å; S294-K298 VanDerWaalsContact O-N 3.15Å; H295-K298 PolarHBondContact O-N 3Å; L296-K298 VanDerWaalsContact C-N 3.31Å; L296-K298 PolarHBondContact O-N 3.39Å; K298-R302 HydrophobicContact CD-CG 4.43Å; K298-R302 WeakPolarHBondContact O-CG 3.45Å; K298-R302 PolarHBondContact O-N 3.03Å
299	Y	98.9	Very high	98.8	Very high	19 Å²	19	29.4 Å²	29.4	8%	0.075	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-50.4	178.5	-175.2	-89.4	0	0	0	111.2	L218 L270 A273 H295 L296 N297 L301 R302 H303	L218-Y299 HydrophobicContact CD2-CE1 4.07Å; L270-Y299 VanDerWaalsContact CA-CZ 3.47Å; L270-Y299 HydrophobicContact CB-CD1 3.96Å; L270-Y299 HydrophobicContact CB-CE1 3.58Å; L270-Y299 HydrophobicContact CB-CE2 4.44Å; L270-Y299 HydrophobicContact CD1-CD1 3.73Å; L270-Y299 HydrophobicContact CD1-CE1 3.92Å; L270-Y299 HydrophobicContact CG-CD1 3.63Å; L270-Y299 HydrophobicContact CG-CE1 3.81Å; L270-Y299 HydrophobicContact CG-CG 4.12Å; L270-Y299 PolarHBondContact N-OH 2.84Å; A273-Y299 HydrophobicContact CB-CD2 3.67Å; A273-Y299 HydrophobicContact CB-CE2 3.63Å; H295-Y299 PolarHBondContact O-N 2.93Å; L296-Y299 WeakPolarHBondContact O-CB 3.46Å; L296-Y299 PolarHBondContact O-N 2.74Å; L296-Y299 VanDerWaalsContact O-N 3.14Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; Y299-L301 VanDerWaalsContact C-N 3.31Å; Y299-L301 PolarHBondContact O-N 2.9Å; Y299-R302 CarbonylContact O-C 3.59Å; Y299-R302 PolarHBondContact O-N 3.41Å; Y299-H303 HydrophobicContact CD1-CB 4.13Å; Y299-H303 AromaticContact CD2-CE1 3.96Å; Y299-H303 AromaticContact CD2-ND1 3.55Å; Y299-H303 HydrophobicContact CE1-CB 3.69Å; Y299-H303 AromaticContact CE1-CG 3.95Å; Y299-H303 AromaticContact CE1-ND1 3.97Å; Y299-H303 AromaticContact CE2-CE1 3.71Å; Y299-H303 AromaticContact CE2-CG 3.98Å; Y299-H303 AromaticContact CE2-ND1 3.44Å; Y299-H303 WeakPolarHBondContact CE2-ND1 3.37Å; Y299-H303 AromaticContact CG-ND1 3.86Å; Y299-H303 AromaticContact CZ-CG 3.74Å; Y299-H303 AromaticContact CZ-ND1 3.67Å; Y299-H303 PolarHBondContact O-N 2.88Å; Y299-H303 PolarHBondContact O-ND1 3.31Å; Y299-H303 VanDerWaalsContact O-ND1 3.11Å
300	L	98.9	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69.6	-25.6	-177.7	-66.9	179.9	0	0	0	113.7	L218 Y255 L270 L296 N297 R302 H303 P305	L218-L300 HydrophobicContact CD1-CD2 4.3Å; L218-L300 HydrophobicContact CD2-CD2 3.86Å; L218-L300 HydrophobicContact CG-CD2 4.11Å; Y255-L300 HydrophobicContact CD1-CD1 4.03Å; Y255-L300 HydrophobicContact CD2-CB 3.76Å; Y255-L300 HydrophobicContact CD2-CD1 3.62Å; Y255-L300 HydrophobicContact CD2-CG 4.35Å; Y255-L300 HydrophobicContact CE1-CD1 4.46Å; Y255-L300 HydrophobicContact CE2-CB 3.63Å; Y255-L300 HydrophobicContact CE2-CD1 4.09Å; Y255-L300 HydrophobicContact CG-CD1 3.56Å; L270-L300 HydrophobicContact CD1-CD2 4.2Å; L296-L300 HydrophobicContact CD1-CD1 3.82Å; L296-L300 HydrophobicContact CD1-CG 4.02Å; L296-L300 HydrophobicContact CG-CD1 4.05Å; L296-L300 HydrophobicContact CG-CG 4.5Å; L296-L300 WeakPolarHBondContact O-CG 3.42Å; L296-L300 PolarHBondContact O-N 3.24Å; N297-L300 PolarHBondContact O-N 3Å; L300-R302 VanDerWaalsContact C-N 3.3Å; L300-H303 WeakPolarHBondContact CA-O 3.38Å; L300-H303 CarbonylContact O-C 3.55Å; L300-P305 HydrophobicContact CD2-CB 4.21Å; L300-P305 HydrophobicContact CD2-CG 4.46Å
301	L	98.9	Very high	98.9	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.063	11%	0.108	C	C	.	.	H	α-helix	trans	-63.5	-38.5	169.2	176.5	61.4	0	0	0	111.4	I246 E250 N297 Y299 K304	I246-L301 HydrophobicContact CB-CD2 4.46Å; I246-L301 HydrophobicContact CD1-CD2 3.93Å; I246-L301 HydrophobicContact CG1-CD2 3.99Å; I246-L301 HydrophobicContact CG2-CD2 3.7Å; E250-L301 HydrophobicContact CB-CD2 4.29Å; N297-L301 WeakPolarHBondContact O-CB 3.49Å; N297-L301 PolarHBondContact O-N 2.88Å; Y299-L301 VanDerWaalsContact C-N 3.31Å; Y299-L301 PolarHBondContact O-N 2.9Å; L301-K304 WeakPolarHBondContact O-CE 3.46Å; L301-K304 PolarHBondContact O-NZ 2.63Å
302	R	98.8	Very high	98.9	Very high	133 Å²	133	23.2 Å²	23.2	50%	0.502	10%	0.104	S	C	.	.	H	α-helix	trans	-91.7	-25.1	-177.1	-59.9	-59.5	-179.7	-151.1	-7.2	113.4	E250 K298 Y299 L300	E250-R302 IonicContact OE1-NH2 3.25Å; E250-R302 PolarHBondContact OE1-NH2 2.55Å; E250-R302 IonicContact OE2-CZ 2.79Å; E250-R302 IonicContact OE2-NH1 3.73Å; E250-R302 PolarHBondContact OE2-NH1 2.95Å; E250-R302 IonicContact OE2-NH2 3.89Å; E250-R302 PolarHBondContact OE2-NH2 2.82Å; K298-R302 HydrophobicContact CD-CG 4.43Å; K298-R302 WeakPolarHBondContact O-CG 3.45Å; K298-R302 PolarHBondContact O-N 3.03Å; Y299-R302 CarbonylContact O-C 3.59Å; Y299-R302 PolarHBondContact O-N 3.41Å; L300-R302 VanDerWaalsContact C-N 3.3Å
303	H	98.8	Very high	98.9	Very high	93 Å²	93	23 Å²	23	43%	0.431	10%	0.103	S	C	.	.	S	Bend	trans	-126.2	90.4	179.1	-51.7	89.6	0	0	0	107.8	Y299 L300	Y299-H303 HydrophobicContact CD1-CB 4.13Å; Y299-H303 AromaticContact CD2-CE1 3.96Å; Y299-H303 AromaticContact CD2-ND1 3.55Å; Y299-H303 HydrophobicContact CE1-CB 3.69Å; Y299-H303 AromaticContact CE1-CG 3.95Å; Y299-H303 AromaticContact CE1-ND1 3.97Å; Y299-H303 AromaticContact CE2-CE1 3.71Å; Y299-H303 AromaticContact CE2-CG 3.98Å; Y299-H303 AromaticContact CE2-ND1 3.44Å; Y299-H303 WeakPolarHBondContact CE2-ND1 3.37Å; Y299-H303 AromaticContact CG-ND1 3.86Å; Y299-H303 AromaticContact CZ-CG 3.74Å; Y299-H303 AromaticContact CZ-ND1 3.67Å; Y299-H303 PolarHBondContact O-N 2.88Å; Y299-H303 PolarHBondContact O-ND1 3.31Å; Y299-H303 VanDerWaalsContact O-ND1 3.11Å; L300-H303 WeakPolarHBondContact CA-O 3.38Å; L300-H303 CarbonylContact O-C 3.55Å
304	K	98.9	Very high	98.8	Very high	77 Å²	77	22.9 Å²	22.9	34%	0.335	10%	0.103	S	C	.	.			trans	-61	129	-170.3	-59.4	-53.5	-168.8	-169.9	0	110.7	W80 D252 L301	W80-K304 HydrophobicContact CD2-CB 4.02Å; W80-K304 HydrophobicContact CD2-CD 4.2Å; W80-K304 HydrophobicContact CD2-CG 4.1Å; W80-K304 HydrophobicContact CE3-CD 4.18Å; W80-K304 HydrophobicContact CE3-CG 4.48Å; W80-K304 HydrophobicContact CG-CB 3.96Å; W80-K304 HydrophobicContact CG-CG 4.18Å; W80-K304 HydrophobicContact CH2-CD 4.49Å; W80-K304 HydrophobicContact CZ3-CD 4.33Å; D252-K304 VanDerWaalsContact CG-NZ 3.35Å; D252-K304 IonicContact OD1-NZ 3.73Å; D252-K304 PolarHBondContact OD1-NZ 2.88Å; D252-K304 IonicContact OD2-NZ 3.75Å; D252-K304 PolarHBondContact OD2-NZ 2.82Å; L301-K304 WeakPolarHBondContact O-CE 3.46Å; L301-K304 PolarHBondContact O-NZ 2.63Å
305	P	98.9	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.			trans	-67.8	143.9	177.5	29.4	-35.4	0	0	0	110.7	W80 A82 L218 Y255 L300 K307 V308	W80-P305 HydrophobicContact CZ2-CG 4.08Å; W80-P305 PolarHBondContact NE1-O 3.16Å; A82-P305 VanDerWaalsContact CB-O 3.24Å; A82-P305 WeakPolarHBondContact CB-O 3.48Å; L218-P305 HydrophobicContact CG-CB 4.33Å; L218-P305 CarbonylContact O-C 3.59Å; L218-P305 WeakPolarHBondContact O-CA 3.5Å; Y255-P305 HydrophobicContact CE1-CG 4.22Å; L300-P305 HydrophobicContact CD2-CB 4.21Å; L300-P305 HydrophobicContact CD2-CG 4.46Å; P305-K307 WeakPolarHBondContact CB-O 3.41Å; P305-V308 HydrophobicContact CG-CG2 3.77Å
306	T	98.9	Very high	98.7	Very high	56 Å²	56	23.6 Å²	23.6	34%	0.344	11%	0.106	S	C	.	.	S	Bend	trans	-82.6	-13.2	-179	52.1	0	0	0	0	113.3	A82 P83 T216 P217 L218	A82-T306 WeakPolarHBondContact CB-O 3.4Å; P83-T306 WeakPolarHBondContact CD-O 3.41Å; T216-T306 WeakPolarHBondContact CG2-OG1 3.35Å; T216-T306 WeakPolarHBondContact OG1-CB 3.43Å; T216-T306 PolarHBondContact OG1-OG1 2.98Å; P217-T306 HydrophobicContact CB-CG2 4.36Å; P217-T306 WeakPolarHBondContact CD-OG1 3.4Å; L218-T306 PolarHBondContact N-OG1 3.49Å; L218-T306 PolarHBondContact O-N 2.82Å; L218-T306 PolarHBondContact O-OG1 3.29Å
307	K	98.9	Very high	98.6	Very high	31 Å²	31	27 Å²	27	14%	0.135	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.9	158	-69.1	-180	-178.5	167.7	0	109.8	P83 V85 E213 L215 T216 L218 F219 P305	P83-K307 HydrophobicContact CB-CG 4.47Å; P83-K307 HydrophobicContact CG-CG 4.39Å; P83-K307 WeakPolarHBondContact O-CA 3.37Å; V85-K307 HydrophobicContact CG2-CB 4.4Å; V85-K307 HydrophobicContact CG2-CD 4.13Å; E213-K307 WeakPolarHBondContact O-CD 3.34Å; E213-K307 PolarHBondContact O-NZ 3Å; L215-K307 WeakPolarHBondContact O-CE 3.28Å; L215-K307 PolarHBondContact O-NZ 3.29Å; T216-K307 HydrophobicContact CG2-CB 3.72Å; T216-K307 HydrophobicContact CG2-CD 4.06Å; T216-K307 HydrophobicContact CG2-CG 3.84Å; L218-K307 PolarHBondContact O-N 3.34Å; F219-K307 VanDerWaalsContact CA-O 3.23Å; F219-K307 WeakPolarHBondContact CA-O 3.23Å; F219-K307 HydrophobicContact CB-CB 4.31Å; F219-K307 VanDerWaalsContact CB-O 3.26Å; F219-K307 WeakPolarHBondContact CB-O 3.4Å; P305-K307 WeakPolarHBondContact CB-O 3.41Å
308	V	98.9	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.2	169.6	178	0	0	0	0	108.2	T78 W80 P83 I84 V85 G220 L222 Y255 P305	T78-V308 HydrophobicContact CG2-CG2 3.88Å; W80-V308 HydrophobicContact CZ2-CG2 4.22Å; P83-V308 PolarHBondContact O-N 2.8Å; I84-V308 CarbonylContact C-O 3.51Å; I84-V308 WeakPolarHBondContact CA-O 3.42Å; I84-V308 HydrophobicContact CG1-CB 4.29Å; I84-V308 HydrophobicContact CG2-CB 4.38Å; I84-V308 HydrophobicContact CG2-CG1 4.32Å; V85-V308 PolarHBondContact N-O 2.89Å; G220-V308 CarbonylContact O-C 3.33Å; G220-V308 WeakPolarHBondContact O-CA 3.21Å; L222-V308 HydrophobicContact CD1-CG1 4.4Å; L222-V308 HydrophobicContact CD2-CG1 3.65Å; L222-V308 HydrophobicContact CG-CG1 3.68Å; Y255-V308 HydrophobicContact CE1-CG1 4.06Å; Y255-V308 HydrophobicContact CE1-CG2 4.08Å; P305-V308 HydrophobicContact CG-CG2 3.77Å
309	L	98.9	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.7	176.5	-51.9	-172	0	0	0	110	V85 I214 F219 G220 T221 L222 F259 Y313	V85-L309 HydrophobicContact CB-CD2 3.93Å; V85-L309 HydrophobicContact CG2-CD2 3.76Å; I214-L309 HydrophobicContact CB-CD1 3.96Å; I214-L309 HydrophobicContact CB-CD2 3.77Å; I214-L309 HydrophobicContact CG2-CD1 3.89Å; I214-L309 HydrophobicContact CG2-CD2 3.78Å; F219-L309 HydrophobicContact CD2-CD1 3.64Å; F219-L309 HydrophobicContact CD2-CG 3.83Å; F219-L309 HydrophobicContact CE2-CD1 3.63Å; F219-L309 HydrophobicContact CE2-CG 4.34Å; F219-L309 HydrophobicContact CG-CG 4.49Å; G220-L309 PolarHBondContact O-N 2.86Å; T221-L309 HydrophobicContact CG2-CB 3.98Å; L222-L309 WeakPolarHBondContact CG-O 3.43Å; L222-L309 PolarHBondContact N-O 2.84Å; F259-L309 HydrophobicContact CD1-CD1 4.3Å; F259-L309 HydrophobicContact CE1-CD1 3.9Å; F259-L309 HydrophobicContact CZ-CD1 4.1Å; L309-Y313 HydrophobicContact CB-CD2 3.97Å; L309-Y313 HydrophobicContact CB-CG 4.04Å; L309-Y313 HydrophobicContact CD1-CD1 4.23Å; L309-Y313 HydrophobicContact CD1-CG 4.1Å
310	S	98.9	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.			trans	-68.7	167.6	173	66.3	0	0	0	0	112.1	V85 E312 Y313	V85-S310 WeakPolarHBondContact O-CB 3.29Å; V85-S310 PolarHBondContact O-N 3.48Å; V85-S310 VanDerWaalsContact O-N 3.15Å; V85-S310 PolarHBondContact O-OG 3.24Å; S310-E312 PolarHBondContact O-N 3.12Å; S310-E312 WeakPolarHBondContact OG-CB 3.38Å; S310-E312 WeakPolarHBondContact OG-CG 3.1Å; S310-E312 PolarHBondContact OG-N 2.78Å; S310-Y313 PolarHBondContact O-N 2.88Å
311	P	98.8	Very high	98	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-62.9	-6.9	173.6	-20.2	33.4	0	0	0	114.5	W86 L222 P224 Y227 Y313 L314 W315 L326	W86-P311 VanDerWaalsContact CH2-CD 3.46Å; W86-P311 HydrophobicContact CH2-CG 4.35Å; L222-P311 HydrophobicContact CB-CG 4.09Å; P224-P311 HydrophobicContact CB-CB 4.28Å; Y227-P311 HydrophobicContact CD1-CB 4.39Å; Y227-P311 HydrophobicContact CD1-CG 3.7Å; Y227-P311 HydrophobicContact CD2-CG 4.19Å; Y227-P311 HydrophobicContact CE1-CG 4.42Å; Y227-P311 HydrophobicContact CG-CG 3.57Å; P311-Y313 PolarHBondContact O-N 3.05Å; P311-L314 CarbonylContact O-C 3.53Å; P311-L314 PolarHBondContact O-N 3.16Å; P311-W315 HydrophobicContact CB-CE3 3.57Å; P311-W315 HydrophobicContact CB-CZ3 3.6Å; P311-W315 HydrophobicContact CG-CZ3 4.49Å; P311-L326 HydrophobicContact CB-CD2 4.19Å
312	E	98.8	Very high	97.9	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.4	169.1	-60.4	-179.2	172	0	0	111.5	R71 W86 E87 S310 L326 K328 R330	R71-E312 IonicContact NH1-OE1 3.28Å; W86-E312 HydrophobicContact CE3-CG 4.15Å; W86-E312 HydrophobicContact CZ3-CG 4.45Å; E87-E312 WeakPolarHBondContact CB-OE1 3.29Å; E87-E312 WeakPolarHBondContact CB-OE2 3.13Å; E87-E312 PolarHBondContact N-OE1 2.82Å; E87-E312 PolarHBondContact N-OE2 2.98Å; S310-E312 PolarHBondContact O-N 3.12Å; S310-E312 WeakPolarHBondContact OG-CB 3.38Å; S310-E312 WeakPolarHBondContact OG-CG 3.1Å; S310-E312 PolarHBondContact OG-N 2.78Å; E312-L326 HydrophobicContact CG-CD2 3.86Å; E312-K328 WeakPolarHBondContact CB-O 3.42Å; E312-K328 WeakPolarHBondContact CG-O 3.38Å; E312-R330 HydrophobicContact CB-CG 4.3Å; E312-R330 VanDerWaalsContact O-CB 3.23Å; E312-R330 WeakPolarHBondContact O-CB 3.35Å; E312-R330 WeakPolarHBondContact O-CG 3.35Å; E312-R330 PolarHBondContact O-N 3.5Å; E312-R330 IonicContact OE2-CZ 3.53Å; E312-R330 IonicContact OE2-NE 3.73Å; E312-R330 PolarHBondContact OE2-NE 3.32Å; E312-R330 VanDerWaalsContact OE2-NE 3.15Å; E312-R330 IonicContact OE2-NH2 3.49Å; E312-R330 PolarHBondContact OE2-NH2 2.96Å
313	Y	98.8	Very high	97.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-90.2	-5.8	-176.8	-68.8	-91	0	0	0	114.1	V85 V210 E213 I214 F259 L309 S310 P311 R330 F331	V85-Y313 HydrophobicContact CB-CE2 4.19Å; V85-Y313 HydrophobicContact CG1-CE2 3.79Å; V85-Y313 WeakPolarHBondContact CG1-OH 3.21Å; V85-Y313 WeakPolarHBondContact O-CE2 3.24Å; V210-Y313 HydrophobicContact CG1-CD1 4.19Å; V210-Y313 HydrophobicContact CG1-CE1 4.3Å; V210-Y313 HydrophobicContact CG2-CD1 4.2Å; V210-Y313 HydrophobicContact CG2-CE1 4.42Å; E213-Y313 WeakPolarHBondContact CG-OH 3.33Å; E213-Y313 WeakPolarHBondContact OE1-CE1 3.45Å; E213-Y313 PolarHBondContact OE1-OH 2.98Å; I214-Y313 HydrophobicContact CG2-CD1 3.81Å; I214-Y313 HydrophobicContact CG2-CE1 3.34Å; F259-Y313 WeakPolarHBondContact CD2-O 3.38Å; F259-Y313 VanDerWaalsContact CE2-O 3.23Å; F259-Y313 WeakPolarHBondContact CE2-O 3.27Å; L309-Y313 HydrophobicContact CB-CD2 3.97Å; L309-Y313 HydrophobicContact CB-CG 4.04Å; L309-Y313 HydrophobicContact CD1-CD1 4.23Å; L309-Y313 HydrophobicContact CD1-CG 4.1Å; S310-Y313 PolarHBondContact O-N 2.88Å; P311-Y313 PolarHBondContact O-N 3.05Å; Y313-R330 VanDerWaalsContact CE1-CD 3.42Å; Y313-R330 VanDerWaalsContact CZ-CD 3.44Å; Y313-F331 WeakPolarHBondContact O-CB 3.49Å; Y313-F331 WeakPolarHBondContact O-CD1 3.3Å
314	L	97.1	Very high	97.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	-160	115.2	165.3	-166	157.7	0	0	0	109.5	M204 T221 P224 L256 F259 P311 F331	M204-L314 HydrophobicContact CE-CD1 3.84Å; M204-L314 HydrophobicContact CE-CD2 3.93Å; M204-L314 HydrophobicContact CE-CG 3.99Å; M204-L314 HydrophobicContact SD-CG 4.37Å; T221-L314 HydrophobicContact CG2-CB 4.2Å; P224-L314 HydrophobicContact CG-CD2 4.2Å; L256-L314 HydrophobicContact CD1-CD1 3.86Å; L256-L314 HydrophobicContact CD1-CD2 3.42Å; L256-L314 VanDerWaalsContact CD1-CD2 3.42Å; L256-L314 HydrophobicContact CD1-CG 4.1Å; L256-L314 HydrophobicContact CD2-CD1 3.38Å; L256-L314 HydrophobicContact CD2-CD2 4.34Å; L256-L314 HydrophobicContact CD2-CG 4.44Å; L256-L314 HydrophobicContact CG-CD1 4.18Å; F259-L314 HydrophobicContact CB-CD1 3.88Å; P311-L314 CarbonylContact O-C 3.53Å; P311-L314 PolarHBondContact O-N 3.16Å; L314-F331 VanDerWaalsContact CA-O 3.28Å; L314-F331 WeakPolarHBondContact CA-O 3.45Å; L314-F331 HydrophobicContact CB-CD1 4.48Å; L314-F331 HydrophobicContact CD1-CD1 4.45Å; L314-F331 HydrophobicContact CD1-CE1 4.42Å; L314-F331 HydrophobicContact CG-CD1 4.29Å
315	W	98.2	Very high	97.8	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-139.7	148.1	-173.5	-165.2	-106.2	0	0	0	113.3	P224 Y227 P311 L320 G321 P323 L326 L329 F331 T332 A333	P224-W315 HydrophobicContact CB-CD2 4.18Å; P224-W315 HydrophobicContact CB-CE3 3.27Å; P224-W315 HydrophobicContact CB-CH2 4.42Å; P224-W315 HydrophobicContact CB-CZ3 3.4Å; P224-W315 VanDerWaalsContact CB-CZ3 3.4Å; Y227-W315 HydrophobicContact CD1-CZ3 4.28Å; Y227-W315 AromaticContact CE1-CH2 3.74Å; Y227-W315 HydrophobicContact CE1-CH2 3.74Å; Y227-W315 AromaticContact CE1-CZ3 3.71Å; Y227-W315 HydrophobicContact CE1-CZ3 3.71Å; P311-W315 HydrophobicContact CB-CE3 3.57Å; P311-W315 HydrophobicContact CB-CZ3 3.6Å; P311-W315 HydrophobicContact CG-CZ3 4.49Å; W315-L320 HydrophobicContact CD2-CD1 4.39Å; W315-L320 HydrophobicContact CE3-CD1 4.24Å; W315-L320 HydrophobicContact CH2-CB 3.89Å; W315-L320 HydrophobicContact CH2-CD1 3.53Å; W315-L320 HydrophobicContact CH2-CG 4.37Å; W315-L320 HydrophobicContact CZ2-CB 3.29Å; W315-L320 HydrophobicContact CZ2-CD1 3.73Å; W315-L320 HydrophobicContact CZ2-CG 4.19Å; W315-L320 HydrophobicContact CZ3-CD1 3.8Å; W315-G321 PolarHBondContact NE1-O 2.77Å; W315-P323 HydrophobicContact CH2-CG 3.93Å; W315-P323 VanDerWaalsContact CZ2-CD 3.45Å; W315-P323 HydrophobicContact CZ2-CG 3.7Å; W315-L326 HydrophobicContact CD2-CD1 3.36Å; W315-L326 HydrophobicContact CE3-CD1 3.46Å; W315-L326 VanDerWaalsContact CE3-CD1 3.46Å; W315-L326 HydrophobicContact CG-CD1 4.06Å; W315-L326 HydrophobicContact CH2-CD1 3.67Å; W315-L326 HydrophobicContact CZ2-CD1 3.53Å; W315-L326 HydrophobicContact CZ3-CD1 3.64Å; W315-L329 HydrophobicContact CB-CD2 4.17Å; W315-L329 HydrophobicContact CD2-CD2 4.37Å; W315-L329 HydrophobicContact CG-CD2 3.76Å; W315-F331 PolarHBondContact N-O 3.06Å; W315-T332 HydrophobicContact CB-CG2 4.31Å; W315-T332 CarbonylContact O-C 3.49Å; W315-T332 WeakPolarHBondContact O-CA 3.35Å; W315-A333 PolarHBondContact O-N 3.26Å
316	D	97.5	Very high	97.8	Very high	20 Å²	20	39 Å²	39	11%	0.107	22%	0.216	C	C	.	.			trans	-113.6	103.4	166	-171.9	-41.7	0	0	0	109	Q318 L319 L320 A333 W364	D316-Q318 VanDerWaalsContact C-N 3.31Å; D316-Q318 WeakPolarHBondContact OD1-CA 3.26Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.22Å; D316-Q318 PolarHBondContact OD1-N 3.39Å; D316-L319 HydrophobicContact CB-CB 4.28Å; D316-L319 HydrophobicContact CB-CD1 4.22Å; D316-L319 HydrophobicContact CB-CG 4.46Å; D316-L319 PolarHBondContact OD1-N 3.25Å; D316-L319 VanDerWaalsContact OD2-CD1 3.28Å; D316-L319 WeakPolarHBondContact OD2-CD1 3.41Å; D316-L320 WeakPolarHBondContact O-CB 3.47Å; D316-L320 PolarHBondContact O-N 3.49Å; D316-A333 HydrophobicContact CB-CB 4.03Å; D316-W364 HydrophobicContact CB-CE3 4.4Å; D316-W364 HydrophobicContact CB-CH2 3.41Å; D316-W364 VanDerWaalsContact CB-CH2 3.41Å; D316-W364 HydrophobicContact CB-CZ3 3.32Å
317	Q	96.3	Very high	97.8	Very high	70 Å²	70	42.5 Å²	42.5	33%	0.327	22%	0.223	S	C	.	.	H	α-helix	trans	-70.5	-29.1	-179	-168.9	-177	11.7	0	0	112.2	L319 G321 L329	Q317-L319 VanDerWaalsContact C-N 3.34Å; Q317-G321 VanDerWaalsContact O-CA 3.25Å; Q317-G321 WeakPolarHBondContact O-CA 3.45Å; Q317-G321 PolarHBondContact O-N 2.73Å; Q317-L329 HydrophobicContact CB-CD1 4.35Å; Q317-L329 HydrophobicContact CG-CD1 4.15Å
318	Q	94.3	Very high	97.8	Very high	144 Å²	144	43.4 Å²	43.4	67%	0.673	23%	0.227	S	C	*	.	H	α-helix	trans	-68	-39.1	-179.7	-178.2	178.4	-0	0	0	110.7	D316	D316-Q318 VanDerWaalsContact C-N 3.31Å; D316-Q318 WeakPolarHBondContact OD1-CA 3.26Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.22Å; D316-Q318 PolarHBondContact OD1-N 3.39Å
319	L	94.6	Very high	97.8	Very high	74 Å²	74	43.9 Å²	43.9	39%	0.387	23%	0.23	S	C	.	.	H	α-helix	trans	-87.7	-35.4	-177.6	-64.6	175.5	0	0	0	113.8	D316 Q317 P363 W364	D316-L319 HydrophobicContact CB-CB 4.28Å; D316-L319 HydrophobicContact CB-CD1 4.22Å; D316-L319 HydrophobicContact CB-CG 4.46Å; D316-L319 PolarHBondContact OD1-N 3.25Å; D316-L319 VanDerWaalsContact OD2-CD1 3.28Å; D316-L319 WeakPolarHBondContact OD2-CD1 3.41Å; Q317-L319 VanDerWaalsContact C-N 3.34Å; L319-P363 HydrophobicContact CD1-CB 3.25Å; L319-P363 HydrophobicContact CD1-CG 4.33Å; L319-P363 HydrophobicContact CD2-CB 3.64Å; L319-P363 HydrophobicContact CD2-CG 4.21Å; L319-P363 HydrophobicContact CG-CB 4.05Å; L319-W364 HydrophobicContact CB-CH2 4.42Å; L319-W364 HydrophobicContact CB-CZ2 4.26Å; L319-W364 HydrophobicContact CD1-CD2 4.27Å; L319-W364 HydrophobicContact CD1-CE3 4.36Å; L319-W364 HydrophobicContact CD1-CH2 4.19Å; L319-W364 HydrophobicContact CD1-CZ2 4.05Å; L319-W364 HydrophobicContact CD1-CZ3 4.34Å
320	L	96.7	Very high	97.8	Very high	62 Å²	62	43.9 Å²	43.9	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-114.5	-1.3	-170.2	-60.1	179	0	0	0	114.2	P224 W315 D316 W364	P224-L320 HydrophobicContact CB-CD1 3.66Å; P224-L320 HydrophobicContact CG-CD1 4.35Å; P224-L320 WeakPolarHBondContact O-CD1 3.22Å; W315-L320 HydrophobicContact CD2-CD1 4.39Å; W315-L320 HydrophobicContact CE3-CD1 4.24Å; W315-L320 HydrophobicContact CH2-CB 3.89Å; W315-L320 HydrophobicContact CH2-CD1 3.53Å; W315-L320 HydrophobicContact CH2-CG 4.37Å; W315-L320 HydrophobicContact CZ2-CB 3.29Å; W315-L320 HydrophobicContact CZ2-CD1 3.73Å; W315-L320 HydrophobicContact CZ2-CG 4.19Å; W315-L320 HydrophobicContact CZ3-CD1 3.8Å; D316-L320 WeakPolarHBondContact O-CB 3.47Å; D316-L320 PolarHBondContact O-N 3.49Å; L320-W364 HydrophobicContact CD1-CH2 3.34Å; L320-W364 HydrophobicContact CD1-CZ2 3.49Å; L320-W364 VanDerWaalsContact CD1-CZ2 3.49Å; L320-W364 HydrophobicContact CD2-CH2 4.45Å; L320-W364 HydrophobicContact CD2-CZ2 3.84Å; L320-W364 HydrophobicContact CG-CH2 3.68Å; L320-W364 HydrophobicContact CG-CZ2 3.57Å
321	G	97.6	Very high	97.8	Very high	34 Å²	34	43.9 Å²	43.9	35%	0.351	23%	0.23	S	C	.	.			trans	64	-149	-174.9	0	0	0	0	0	112.1	W315 Q317	W315-G321 PolarHBondContact NE1-O 2.77Å; Q317-G321 VanDerWaalsContact O-CA 3.25Å; Q317-G321 WeakPolarHBondContact O-CA 3.45Å; Q317-G321 PolarHBondContact O-N 2.73Å
322	W	98.3	Very high	97.8	Very high	146 Å²	146	44 Å²	44	55%	0.553	23%	0.23	S	C	*	.			trans	-132.4	87.7	175.7	-169.5	-15.6	0	0	0	109.8	L326 L329	W322-L326 PolarHBondContact NE1-O 3.32Å; W322-L329 HydrophobicContact CB-CD1 4.37Å; W322-L329 HydrophobicContact CD2-CD1 3.63Å; W322-L329 HydrophobicContact CD2-CG 3.91Å; W322-L329 HydrophobicContact CE3-CD1 3.83Å; W322-L329 HydrophobicContact CE3-CG 4.41Å; W322-L329 HydrophobicContact CG-CD1 3.88Å; W322-L329 HydrophobicContact CG-CD2 4.46Å; W322-L329 HydrophobicContact CG-CG 4.23Å; W322-L329 HydrophobicContact CZ2-CG 4.12Å; W322-L329 HydrophobicContact CZ3-CD1 4.37Å
323	P	97.9	Very high	97.7	Very high	38 Å²	38	44.6 Å²	44.6	25%	0.247	24%	0.235	C	C	.	.			trans	-70.7	148.2	-179.8	28.3	-34.1	0	0	0	111.6	W315 V325 L326	W315-P323 HydrophobicContact CH2-CG 3.93Å; W315-P323 VanDerWaalsContact CZ2-CD 3.45Å; W315-P323 HydrophobicContact CZ2-CG 3.7Å; P323-V325 HydrophobicContact CB-CG1 4.2Å; P323-V325 HydrophobicContact CG-CG1 4.14Å; P323-V325 PolarHBondContact O-N 2.52Å; P323-L326 HydrophobicContact CG-CD1 3.94Å; P323-L326 HydrophobicContact CG-CG 4.05Å; P323-L326 PolarHBondContact O-N 3.18Å
324	A	98.1	Very high	97.5	Very high	104 Å²	104	45.7 Å²	45.7	86%	0.86	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.2	-175.3	0	0	0	0	0	114.8	L326	A324-L326 PolarHBondContact O-N 2.89Å
325	V	98.4	Very high	97.1	Very high	31 Å²	31	49.7 Å²	49.7	19%	0.188	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27	175.6	71.2	0	0	0	0	112.6	R71 V74 W86 Y227 P323	R71-V325 PolarHBondContact NH2-O 2.96Å; V74-V325 HydrophobicContact CG1-CG2 3.23Å; W86-V325 HydrophobicContact CH2-CG2 4.44Å; W86-V325 HydrophobicContact CZ3-CG2 4.25Å; Y227-V325 HydrophobicContact CE2-CG1 4.22Å; P323-V325 HydrophobicContact CB-CG1 4.2Å; P323-V325 HydrophobicContact CG-CG1 4.14Å; P323-V325 PolarHBondContact O-N 2.52Å
326	L	98.6	Very high	96.6	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	28%	0.279	C	S	.	.			trans	-91	104.6	176.3	-56.4	-179	0	0	0	109.1	W86 P311 E312 W315 W322 P323 A324 K328 L329	W86-L326 HydrophobicContact CZ3-CD2 3.81Å; P311-L326 HydrophobicContact CB-CD2 4.19Å; E312-L326 HydrophobicContact CG-CD2 3.86Å; W315-L326 HydrophobicContact CD2-CD1 3.36Å; W315-L326 HydrophobicContact CE3-CD1 3.46Å; W315-L326 VanDerWaalsContact CE3-CD1 3.46Å; W315-L326 HydrophobicContact CG-CD1 4.06Å; W315-L326 HydrophobicContact CH2-CD1 3.67Å; W315-L326 HydrophobicContact CZ2-CD1 3.53Å; W315-L326 HydrophobicContact CZ3-CD1 3.64Å; W322-L326 PolarHBondContact NE1-O 3.32Å; P323-L326 HydrophobicContact CG-CD1 3.94Å; P323-L326 HydrophobicContact CG-CG 4.05Å; P323-L326 PolarHBondContact O-N 3.18Å; A324-L326 PolarHBondContact O-N 2.89Å; L326-K328 VanDerWaalsContact C-N 3.27Å; L326-L329 HydrophobicContact CB-CD2 4.06Å; L326-L329 HydrophobicContact CD1-CD2 3.57Å; L326-L329 HydrophobicContact CG-CD2 4.45Å
327	R	98.7	Very high	96.1	Very high	130 Å²	130	56.2 Å²	56.2	49%	0.491	30%	0.301	S	S	.	.	S	Bend	trans	-75.8	-23.1	176.6	-63	-178.4	178.1	-179.7	-0.6	112	R71 E87	R71-R327 VanDerWaalsContact CD-CZ 3.48Å; E87-R327 HydrophobicContact CB-CB 3.9Å; E87-R327 HydrophobicContact CG-CB 3.96Å
328	K	98.8	Very high	95.4	Very high	50 Å²	50	55.1 Å²	55.1	22%	0.217	30%	0.295	C	S	.	.			trans	-139.9	148.2	178.3	-70.7	177.9	170.6	-87	0	110.5	E87 D208 E312 L326 R330	E87-K328 HydrophobicContact CB-CD 4.42Å; E87-K328 VanDerWaalsContact CD-CE 3.45Å; E87-K328 HydrophobicContact CG-CD 3.97Å; E87-K328 HydrophobicContact CG-CG 4.25Å; E87-K328 VanDerWaalsContact OE2-CD 3.3Å; E87-K328 WeakPolarHBondContact OE2-CD 3.45Å; E87-K328 WeakPolarHBondContact OE2-CE 3.4Å; D208-K328 IonicContact OD1-NZ 2.93Å; D208-K328 PolarHBondContact OD1-NZ 3.49Å; D208-K328 WeakPolarHBondContact OD2-CD 3.14Å; D208-K328 WeakPolarHBondContact OD2-CG 3.32Å; D208-K328 IonicContact OD2-NZ 3.85Å; D208-K328 PolarHBondContact OD2-NZ 2.9Å; E312-K328 WeakPolarHBondContact CB-O 3.42Å; E312-K328 WeakPolarHBondContact CG-O 3.38Å; L326-K328 VanDerWaalsContact C-N 3.27Å; K328-R330 HydrophobicContact CB-CG 4.11Å
329	L	98.7	Very high	94.6	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	29%	0.294	C	S	.	.			trans	-112.8	102.8	166.2	-57.7	-176.2	0	0	0	106.8	R207 W315 Q317 W322 L326 T332	R207-L329 WeakPolarHBondContact CB-O 3.26Å; W315-L329 HydrophobicContact CB-CD2 4.17Å; W315-L329 HydrophobicContact CD2-CD2 4.37Å; W315-L329 HydrophobicContact CG-CD2 3.76Å; Q317-L329 HydrophobicContact CB-CD1 4.35Å; Q317-L329 HydrophobicContact CG-CD1 4.15Å; W322-L329 HydrophobicContact CB-CD1 4.37Å; W322-L329 HydrophobicContact CD2-CD1 3.63Å; W322-L329 HydrophobicContact CD2-CG 3.91Å; W322-L329 HydrophobicContact CE3-CD1 3.83Å; W322-L329 HydrophobicContact CE3-CG 4.41Å; W322-L329 HydrophobicContact CG-CD1 3.88Å; W322-L329 HydrophobicContact CG-CD2 4.46Å; W322-L329 HydrophobicContact CG-CG 4.23Å; W322-L329 HydrophobicContact CZ2-CG 4.12Å; W322-L329 HydrophobicContact CZ3-CD1 4.37Å; L326-L329 HydrophobicContact CB-CD2 4.06Å; L326-L329 HydrophobicContact CD1-CD2 3.57Å; L326-L329 HydrophobicContact CG-CD2 4.45Å; L329-T332 HydrophobicContact CB-CG2 3.92Å
330	R	98.8	Very high	94	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.			trans	-92.5	-39	-166.5	-52.8	168.4	-176.3	-81.4	-0.4	112.5	E87 F206 R207 D208 H209 V210 E312 Y313 K328	E87-R330 IonicContact OE2-CZ 2.9Å; E87-R330 IonicContact OE2-NH1 3.81Å; E87-R330 IonicContact OE2-NH2 2.73Å; E87-R330 PolarHBondContact OE2-NH2 3.15Å; F206-R330 CarbonylContact C-O 3.55Å; F206-R330 WeakPolarHBondContact CA-O 3.3Å; R207-R330 PolarHBondContact N-O 3.03Å; D208-R330 HydrophobicContact CB-CB 4.4Å; D208-R330 HydrophobicContact CB-CG 4.26Å; D208-R330 PolarHBondContact N-O 3.5Å; H209-R330 WeakPolarHBondContact O-CD 3.25Å; H209-R330 PolarHBondContact O-NH1 3.31Å; V210-R330 HydrophobicContact CG2-CB 3.68Å; E312-R330 HydrophobicContact CB-CG 4.3Å; E312-R330 VanDerWaalsContact O-CB 3.23Å; E312-R330 WeakPolarHBondContact O-CB 3.35Å; E312-R330 WeakPolarHBondContact O-CG 3.35Å; E312-R330 PolarHBondContact O-N 3.5Å; E312-R330 IonicContact OE2-CZ 3.53Å; E312-R330 IonicContact OE2-NE 3.73Å; E312-R330 PolarHBondContact OE2-NE 3.32Å; E312-R330 VanDerWaalsContact OE2-NE 3.15Å; E312-R330 IonicContact OE2-NH2 3.49Å; E312-R330 PolarHBondContact OE2-NH2 2.96Å; Y313-R330 VanDerWaalsContact CE1-CD 3.42Å; Y313-R330 VanDerWaalsContact CZ-CD 3.44Å; K328-R330 HydrophobicContact CB-CG 4.11Å
331	F	98.6	Very high	93.5	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	122.1	-179.1	-178.2	-119.6	0	0	0	108.5	F123 V200 M204 E205 F206 F259 Y313 L314 W315	F123-F331 HydrophobicContact CD2-CE2 4.25Å; F123-F331 AromaticContact CE2-CE2 3.93Å; F123-F331 HydrophobicContact CE2-CE2 3.93Å; F123-F331 AromaticContact CE2-CZ 3.96Å; F123-F331 HydrophobicContact CE2-CZ 3.96Å; V200-F331 HydrophobicContact CB-CE1 4.15Å; V200-F331 HydrophobicContact CB-CZ 4.06Å; V200-F331 HydrophobicContact CG1-CE1 4.3Å; V200-F331 HydrophobicContact CG1-CZ 4.48Å; V200-F331 HydrophobicContact CG2-CZ 4.26Å; M204-F331 HydrophobicContact CB-CD1 4.35Å; M204-F331 HydrophobicContact CB-CD2 4.03Å; M204-F331 HydrophobicContact CB-CE1 3.66Å; M204-F331 HydrophobicContact CB-CE2 3.27Å; M204-F331 HydrophobicContact CB-CZ 3.08Å; M204-F331 HydrophobicContact CG-CD1 4.43Å; M204-F331 HydrophobicContact CG-CE1 3.61Å; M204-F331 HydrophobicContact CG-CE2 4.18Å; M204-F331 HydrophobicContact CG-CZ 3.49Å; M204-F331 VanDerWaalsContact CG-CZ 3.49Å; M204-F331 HydrophobicContact SD-CE1 4.26Å; E205-F331 CarbonylContact O-C 3.56Å; E205-F331 WeakPolarHBondContact O-CA 3.37Å; E205-F331 WeakPolarHBondContact O-CD2 3.39Å; F206-F331 HydrophobicContact CD1-CB 4.33Å; F206-F331 AromaticContact CD1-CD2 3.66Å; F206-F331 HydrophobicContact CD1-CD2 3.66Å; F206-F331 HydrophobicContact CD1-CE2 4.32Å; F206-F331 HydrophobicContact CD1-CG 4.33Å; F206-F331 AromaticContact CD2-CD2 3.86Å; F206-F331 HydrophobicContact CD2-CD2 3.86Å; F206-F331 AromaticContact CD2-CE2 3.88Å; F206-F331 HydrophobicContact CD2-CE2 3.88Å; F206-F331 AromaticContact CE1-CD2 3.65Å; F206-F331 HydrophobicContact CE1-CD2 3.65Å; F206-F331 AromaticContact CE1-CE2 4Å; F206-F331 HydrophobicContact CE1-CE2 4Å; F206-F331 HydrophobicContact CE1-CG 4.24Å; F206-F331 AromaticContact CE2-CD2 3.85Å; F206-F331 HydrophobicContact CE2-CD2 3.85Å; F206-F331 AromaticContact CE2-CE2 3.52Å; F206-F331 HydrophobicContact CE2-CE2 3.52Å; F206-F331 AromaticContact CG-CD2 3.76Å; F206-F331 HydrophobicContact CG-CD2 3.76Å; F206-F331 HydrophobicContact CG-CE2 4.27Å; F206-F331 AromaticContact CZ-CD2 3.74Å; F206-F331 HydrophobicContact CZ-CD2 3.74Å; F206-F331 AromaticContact CZ-CE2 3.58Å; F206-F331 HydrophobicContact CZ-CE2 3.58Å; F206-F331 HydrophobicContact CZ-CZ 4.33Å; F259-F331 AromaticContact CD2-CD1 3.79Å; F259-F331 HydrophobicContact CD2-CD1 3.79Å; F259-F331 HydrophobicContact CD2-CE1 4.13Å; F259-F331 HydrophobicContact CE2-CD1 4.07Å; Y313-F331 WeakPolarHBondContact O-CB 3.49Å; Y313-F331 WeakPolarHBondContact O-CD1 3.3Å; L314-F331 VanDerWaalsContact CA-O 3.28Å; L314-F331 WeakPolarHBondContact CA-O 3.45Å; L314-F331 HydrophobicContact CB-CD1 4.48Å; L314-F331 HydrophobicContact CD1-CD1 4.45Å; L314-F331 HydrophobicContact CD1-CE1 4.42Å; L314-F331 HydrophobicContact CG-CD1 4.29Å; W315-F331 PolarHBondContact N-O 3.06Å
332	T	98.3	Very high	92.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.5	-165.3	57.8	0	0	0	0	113.3	M204 E205 R207 W315 L329	M204-T332 CarbonylContact C-O 3.46Å; M204-T332 VanDerWaalsContact CA-O 3.29Å; M204-T332 WeakPolarHBondContact CA-O 3.42Å; E205-T332 WeakPolarHBondContact CG-OG1 3.45Å; E205-T332 PolarHBondContact N-O 3.21Å; E205-T332 PolarHBondContact O-N 3.44Å; R207-T332 VanDerWaalsContact CD-OG1 3.28Å; R207-T332 WeakPolarHBondContact CD-OG1 3.28Å; R207-T332 PolarHBondContact NE-OG1 3.3Å; R207-T332 VanDerWaalsContact NE-OG1 3.07Å; W315-T332 HydrophobicContact CB-CG2 4.31Å; W315-T332 CarbonylContact O-C 3.49Å; W315-T332 WeakPolarHBondContact O-CA 3.35Å; L329-T332 HydrophobicContact CB-CG2 3.92Å
333	A	96.8	Very high	91.9	Very high	13 Å²	13	46.9 Å²	46.9	11%	0.107	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	135.2	176.6	0	0	0	0	0	112.1	M204 W315 D316	M204-A333 WeakPolarHBondContact SD-CA 3.24Å; M204-A333 HydrophobicContact SD-CB 4Å; W315-A333 PolarHBondContact O-N 3.26Å; D316-A333 HydrophobicContact CB-CB 4.03Å
334	V	94.9	Very high	90.5	Very high	24 Å²	24	55.8 Å²	55.8	15%	0.145	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-85.4	129.5	169.7	178.2	0	0	0	0	108.3	F119 L122 D203 E205 K336	F119-V334 HydrophobicContact CD1-CB 4.36Å; F119-V334 HydrophobicContact CD1-CG1 4.2Å; F119-V334 HydrophobicContact CE1-CB 4.37Å; F119-V334 HydrophobicContact CE1-CG1 4.08Å; L122-V334 HydrophobicContact CD2-CG2 3.83Å; D203-V334 PolarHBondContact O-N 3.17Å; E205-V334 HydrophobicContact CB-CG2 4.14Å; E205-V334 HydrophobicContact CG-CG2 4.23Å; V334-K336 PolarHBondContact O-N 3.26Å
335	P	88.8	Confident	88.4	Confident	88 Å²	88	58 Å²	58	57%	0.571	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-55.1	130.8	176.9	-27.8	35.8	0	0	0	112
336	K	87.4	Confident	85.6	Confident	53 Å²	53	67.9 Å²	67.9	23%	0.23	31%	0.314	C	S	.	.			trans	-149.5	152.1	-175.6	61.7	-171.1	173.3	-110	0	111.5	F119 D203 V334 H338	F119-K336 HydrophobicContact CE1-CB 4.43Å; F119-K336 HydrophobicContact CZ-CB 4.03Å; F119-K336 HydrophobicContact CZ-CD 4.28Å; D203-K336 HydrophobicContact CB-CD 3.97Å; D203-K336 IonicContact OD1-NZ 2.64Å; D203-K336 WeakPolarHBondContact OD2-CD 3.37Å; D203-K336 WeakPolarHBondContact OD2-CE 3.47Å; D203-K336 IonicContact OD2-NZ 3.31Å; D203-K336 PolarHBondContact OD2-NZ 3.37Å; V334-K336 PolarHBondContact O-N 3.26Å; K336-H338 WeakPolarHBondContact CE-NE2 3.37Å
337	N	88.6	Confident	82.5	Confident	106 Å²	106	75.4 Å²	75.4	57%	0.567	35%	0.354	S	S	*	.			trans	-94.8	105.7	167.9	-177.5	-43.9	0	0	0	109	Q339 A340 V341	N337-Q339 VanDerWaalsContact C-N 3.32Å; N337-Q339 PolarHBondContact O-N 2.82Å; N337-Q339 PolarHBondContact OD1-N 2.78Å; N337-Q339 VanDerWaalsContact OD1-N 3.12Å; N337-A340 HydrophobicContact CB-CB 3.97Å; N337-A340 PolarHBondContact O-N 3.48Å; N337-A340 VanDerWaalsContact O-N 3.16Å; N337-A340 PolarHBondContact OD1-N 3.4Å; N337-V341 WeakPolarHBondContact O-CG1 3.49Å; N337-V341 PolarHBondContact O-N 3.37Å
338	H	80.1	Confident	79.6	Confident	46 Å²	46	75.2 Å²	75.2	21%	0.213	37%	0.369	C	S	.	.	H	α-helix	trans	-55.8	-42.7	-176.4	-64.5	119.4	0	0	0	113.2	K336 A340 R342 F365	K336-H338 WeakPolarHBondContact CE-NE2 3.37Å; H338-A340 PolarHBondContact O-N 2.98Å; H338-R342 VanDerWaalsContact O-CB 3.23Å; H338-R342 WeakPolarHBondContact O-CB 3.48Å; H338-R342 WeakPolarHBondContact O-CD 3.28Å; H338-R342 VanDerWaalsContact O-CG 3.23Å; H338-R342 WeakPolarHBondContact O-CG 3.25Å; H338-R342 PolarHBondContact O-N 3.03Å; H338-R342 VanDerWaalsContact O-N 3.09Å; H338-F365 VanDerWaalsContact CB-OXT 3.32Å; H338-F365 WeakPolarHBondContact CB-OXT 3.23Å; H338-F365 PolarHBondContact CD2-OXT 2.99Å; H338-F365 PolarHBondContact CE1-OXT 2.75Å; H338-F365 PolarHBondContact ND1-OXT 2.99Å; H338-F365 PolarHBondContact NE2-OXT 3.4Å; H338-F365 VanDerWaalsContact NE2-OXT 3.14Å
339	Q	78.8	Confident	76.6	Confident	138 Å²	138	76.1 Å²	76.1	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-65.3	-40.8	179.7	-175	64.3	7.8	0	0	111.8	N337 N343	N337-Q339 VanDerWaalsContact C-N 3.32Å; N337-Q339 PolarHBondContact O-N 2.82Å; N337-Q339 PolarHBondContact OD1-N 2.78Å; N337-Q339 VanDerWaalsContact OD1-N 3.12Å; Q339-N343 PolarHBondContact NE2-ND2 2.97Å; Q339-N343 VanDerWaalsContact NE2-ND2 3.18Å; Q339-N343 WeakPolarHBondContact O-CB 3.39Å; Q339-N343 PolarHBondContact O-N 2.69Å; Q339-N343 PolarHBondContact O-ND2 3.28Å; Q339-N343 PolarHBondContact OE1-ND2 2.74Å; Q339-N343 VanDerWaalsContact OE1-ND2 3.15Å
340	A	82.3	Confident	74	Confident	38 Å²	38	80.3 Å²	80.3	31%	0.314	43%	0.428	S	S	.	.	H	α-helix	trans	-72.6	-40.1	-178.4	0	0	0	0	0	112.6	K115 N337 H338	K115-A340 WeakPolarHBondContact CD-O 3.39Å; K115-A340 PolarHBondContact NZ-O 2.75Å; N337-A340 HydrophobicContact CB-CB 3.97Å; N337-A340 PolarHBondContact O-N 3.48Å; N337-A340 VanDerWaalsContact O-N 3.16Å; N337-A340 PolarHBondContact OD1-N 3.4Å; H338-A340 PolarHBondContact O-N 2.98Å
341	V	84.9	Confident	71	Confident	19 Å²	19	88.7 Å²	88.7	12%	0.115	47%	0.472	C	S	.	.	H	α-helix	trans	-79.1	-31.2	-176.2	75.4	0	0	0	0	112.6	K115 Y116 F119 N337	K115-V341 HydrophobicContact CB-CG2 3.97Å; Y116-V341 HydrophobicContact CD1-CG2 4.41Å; Y116-V341 HydrophobicContact CD2-CG2 4.11Å; Y116-V341 HydrophobicContact CE1-CG1 4.34Å; Y116-V341 HydrophobicContact CE1-CG2 4.34Å; Y116-V341 HydrophobicContact CE2-CG1 4.11Å; Y116-V341 HydrophobicContact CE2-CG2 3.98Å; Y116-V341 HydrophobicContact CG-CG2 4.34Å; F119-V341 HydrophobicContact CE2-CG2 3.9Å; F119-V341 HydrophobicContact CZ-CG2 4.28Å; N337-V341 WeakPolarHBondContact O-CG1 3.49Å; N337-V341 PolarHBondContact O-N 3.37Å
342	R	84.2	Confident	68.2	Low	28 Å²	28	92.8 Å²	92.8	11%	0.106	52%	0.515	C	S	.	.	H	α-helix	trans	-82.7	-27	-177.8	-69.6	173.9	171.9	173	4.1	114.2	Y116 W171 H338 F365	Y116-R342 HydrophobicContact CE2-CG 4.26Å; Y116-R342 WeakPolarHBondContact OH-CG 3.41Å; Y116-R342 PolarHBondContact OH-NE 3.07Å; W171-R342 HydrophobicContact CB-CB 4.06Å; W171-R342 HydrophobicContact CB-CG 3.91Å; W171-R342 HydrophobicContact CG-CB 4.28Å; W171-R342 HydrophobicContact CG-CG 4.09Å; H338-R342 VanDerWaalsContact O-CB 3.23Å; H338-R342 WeakPolarHBondContact O-CB 3.48Å; H338-R342 WeakPolarHBondContact O-CD 3.28Å; H338-R342 VanDerWaalsContact O-CG 3.23Å; H338-R342 WeakPolarHBondContact O-CG 3.25Å; H338-R342 PolarHBondContact O-N 3.03Å; H338-R342 VanDerWaalsContact O-N 3.09Å; R342-F365 PolarHBondContact NH1-OXT 2.66Å; R342-F365 VanDerWaalsContact NH2-C 3.31Å; R342-F365 PolarHBondContact NH2-OXT 2.83Å
343	N	79.4	Confident	65.1	Low	65 Å²	65	96 Å²	96	35%	0.348	55%	0.548	S	S	.	.	S	Bend	trans	-106.7	146.2	-175.1	-60.5	-63	0	0	0	111.9	K115 Q339 E345	K115-N343 WeakPolarHBondContact CE-O 3.22Å; K115-N343 PolarHBondContact NZ-O 2.86Å; Q339-N343 PolarHBondContact NE2-ND2 2.97Å; Q339-N343 VanDerWaalsContact NE2-ND2 3.18Å; Q339-N343 WeakPolarHBondContact O-CB 3.39Å; Q339-N343 PolarHBondContact O-N 2.69Å; Q339-N343 PolarHBondContact O-ND2 3.28Å; Q339-N343 PolarHBondContact OE1-ND2 2.74Å; Q339-N343 VanDerWaalsContact OE1-ND2 3.15Å; N343-E345 PolarHBondContact O-N 3.36Å
344	R	67.4	Low	62	Low	224 Å²	224	103.6 Å²	103.6	85%	0.845	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-67.5	125.4	160.4	-73.3	-175.1	176.6	-176.8	-1.1	106.7	R346	R344-R346 PolarHBondContact O-N 3.21Å
345	E	53.6	Low	59.2	Low	152 Å²	152	108.3 Å²	108.3	71%	0.71	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59.2	129.4	171	-75.9	175.8	-176.7	0	0	108.1	N343 L347	N343-E345 PolarHBondContact O-N 3.36Å; E345-L347 PolarHBondContact O-N 3.22Å
346	R	41.1	Very low	56.7	Low	237 Å²	237	108.7 Å²	108.7	89%	0.894	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-70.4	116.5	152.9	-82.7	-176.3	179.8	-179	-0.2	104.9	R344	R344-R346 PolarHBondContact O-N 3.21Å
347	L	32.8	Very low	53.9	Low	162 Å²	162	110.5 Å²	110.5	85%	0.848	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-48.1	126.3	154	-81.8	153.3	0	0	0	106.6	E345 G349	E345-L347 PolarHBondContact O-N 3.22Å; L347-G349 VanDerWaalsContact C-N 3.28Å; L347-G349 PolarHBondContact O-N 3.06Å
348	P	38.1	Very low	51.1	Low	126 Å²	126	111.5 Å²	111.5	82%	0.818	67%	0.665	S	S	*	*			trans	-66.8	95	176	4	4.3	0	0	0	108.1	A350	P348-A350 PolarHBondContact O-N 3.04Å
349	G	36.2	Very low	48.6	Very low	69 Å²	69	114 Å²	114	71%	0.711	69%	0.688	S	S	*	*			trans	-64.3	125.2	153.2	0	0	0	0	0	106.9	L347 L351	L347-G349 VanDerWaalsContact C-N 3.28Å; L347-G349 PolarHBondContact O-N 3.06Å; G349-L351 PolarHBondContact O-N 3.4Å; G349-L351 VanDerWaalsContact O-N 3.16Å
350	A	42.5	Very low	46.3	Very low	97 Å²	97	113.5 Å²	113.5	80%	0.802	70%	0.696	S	S	*	*	S	Bend	trans	-44.1	118.4	179.3	0	0	0	0	0	111.9	P348	P348-A350 PolarHBondContact O-N 3.04Å
351	L	37	Very low	44	Very low	176 Å²	176	115.5 Å²	115.5	92%	0.921	71%	0.708	S	S	*	*			trans	177.7	127.2	135.1	-91.6	158	0	0	0	108	G349	G349-L351 PolarHBondContact O-N 3.4Å; G349-L351 VanDerWaalsContact O-N 3.16Å
352	G	39.7	Very low	42.2	Very low	86 Å²	86	122.4 Å²	122.4	89%	0.887	73%	0.732	S	S	*	*			trans	-63.9	142	-164.1	0	0	0	0	0	115.5
353	G	33	Very low	39.9	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	75%	0.748	S	S	*	*			trans	-164.8	118.3	162.5	0	0	0	0	0	107.8
354	L	32.2	Very low	38.2	Very low	173 Å²	173	123.9 Å²	123.9	91%	0.906	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-54.5	132.2	176.1	-83.6	146.8	0	0	0	109.9	A356	L354-A356 PolarHBondContact O-N 3.1Å
355	P	36.3	Very low	37.2	Very low	122 Å²	122	116.1 Å²	116.1	79%	0.792	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-66.7	128.7	172.6	25.8	-30.9	0	0	0	109.7
356	A	36	Very low	36.3	Very low	97 Å²	97	114.3 Å²	114.3	80%	0.802	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-56.7	141.2	168.4	0	0	0	0	0	110.3	L354	L354-A356 PolarHBondContact O-N 3.1Å
357	A	28.3	Very low	36.1	Very low	91 Å²	91	107.8 Å²	107.8	75%	0.752	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-55.6	140.8	-179.7	0	0	0	0	0	111.8	S359	A357-S359 PolarHBondContact O-N 2.73Å
358	P	29.6	Very low	36.3	Very low	126 Å²	126	104.8 Å²	104.8	82%	0.818	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.2	176.4	24.6	-30.7	0	0	0	110.6
359	S	28	Very low	36.2	Very low	99 Å²	99	103.6 Å²	103.6	69%	0.692	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-65.5	128	169.3	175.4	0	0	0	0	109.8	A357 S361	A357-S359 PolarHBondContact O-N 2.73Å; S359-S361 PolarHBondContact O-N 3Å; S359-S361 VanDerWaalsContact O-N 3.11Å
360	P	30.3	Very low	36.2	Very low	128 Å²	128	105.8 Å²	105.8	83%	0.831	69%	0.688	S	S	*	*			trans	-83.5	84.8	178.2	33.4	-30.6	0	0	0	108.9
361	S	33.3	Very low	35.7	Very low	79 Å²	79	106.3 Å²	106.3	55%	0.552	68%	0.68	S	S	*	*			trans	-155.4	123.6	162.3	74.6	0	0	0	0	113.6	S359	S359-S361 PolarHBondContact O-N 3Å; S359-S361 VanDerWaalsContact O-N 3.11Å
362	R	48	Very low	35.6	Very low	165 Å²	165	101.4 Å²	101.4	62%	0.623	66%	0.663	S	S	*	*			trans	93.9	94.5	152.3	-58.4	169.6	-160.7	-116	-0.5	115.5	W290 W364	W290-R362 HydrophobicContact CH2-CB 4.37Å; R362-W364 VanDerWaalsContact C-N 3.34Å; R362-W364 PolarHBondContact O-N 3.4Å
363	P	35.8	Very low	35.3	Very low	69 Å²	69	102.5 Å²	102.5	45%	0.448	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.8	-13	-170.2	-21.5	33.5	0	0	0	117.6	L319	L319-P363 HydrophobicContact CD1-CB 3.25Å; L319-P363 HydrophobicContact CD1-CG 4.33Å; L319-P363 HydrophobicContact CD2-CB 3.64Å; L319-P363 HydrophobicContact CD2-CG 4.21Å; L319-P363 HydrophobicContact CG-CB 4.05Å
364	W	43.6	Very low	35.5	Very low	55 Å²	55	105.3 Å²	105.3	21%	0.208	64%	0.641	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	-15.4	-159.8	-67.3	102.7	0	0	0	115.1	H223 P224 D316 L319 L320 R362	H223-W364 AromaticContact CE1-CD2 3.88Å; H223-W364 AromaticContact CE1-CG 3.97Å; P224-W364 HydrophobicContact CB-CH2 4.27Å; P224-W364 HydrophobicContact CG-CE3 4.39Å; P224-W364 HydrophobicContact CG-CH2 3.69Å; P224-W364 HydrophobicContact CG-CZ3 3.6Å; D316-W364 HydrophobicContact CB-CE3 4.4Å; D316-W364 HydrophobicContact CB-CH2 3.41Å; D316-W364 VanDerWaalsContact CB-CH2 3.41Å; D316-W364 HydrophobicContact CB-CZ3 3.32Å; L319-W364 HydrophobicContact CB-CH2 4.42Å; L319-W364 HydrophobicContact CB-CZ2 4.26Å; L319-W364 HydrophobicContact CD1-CD2 4.27Å; L319-W364 HydrophobicContact CD1-CE3 4.36Å; L319-W364 HydrophobicContact CD1-CH2 4.19Å; L319-W364 HydrophobicContact CD1-CZ2 4.05Å; L319-W364 HydrophobicContact CD1-CZ3 4.34Å; L320-W364 HydrophobicContact CD1-CH2 3.34Å; L320-W364 HydrophobicContact CD1-CZ2 3.49Å; L320-W364 VanDerWaalsContact CD1-CZ2 3.49Å; L320-W364 HydrophobicContact CD2-CH2 4.45Å; L320-W364 HydrophobicContact CD2-CZ2 3.84Å; L320-W364 HydrophobicContact CG-CH2 3.68Å; L320-W364 HydrophobicContact CG-CZ2 3.57Å; R362-W364 VanDerWaalsContact C-N 3.34Å; R362-W364 PolarHBondContact O-N 3.4Å
365	F	45.2	Very low	35.8	Very low	60 Å²	60	99.2 Å²	99.2	26%	0.263	62%	0.617	S	S	.	*			trans	-149.5	0	175.2	-67.1	-77.6	0	0	0	110.2	W290 H338 R342	W290-F365 AromaticContact CE3-CD2 3.99Å; W290-F365 HydrophobicContact CE3-CD2 3.99Å; W290-F365 HydrophobicContact CZ3-CB 4.27Å; W290-F365 AromaticContact CZ3-CD2 3.86Å; W290-F365 HydrophobicContact CZ3-CD2 3.86Å; W290-F365 HydrophobicContact CZ3-CG 4.49Å; H338-F365 VanDerWaalsContact CB-OXT 3.32Å; H338-F365 WeakPolarHBondContact CB-OXT 3.23Å; H338-F365 PolarHBondContact CD2-OXT 2.99Å; H338-F365 PolarHBondContact CE1-OXT 2.75Å; H338-F365 PolarHBondContact ND1-OXT 2.99Å; H338-F365 PolarHBondContact NE2-OXT 3.4Å; H338-F365 VanDerWaalsContact NE2-OXT 3.14Å; R342-F365 PolarHBondContact NH1-OXT 2.66Å; R342-F365 VanDerWaalsContact NH2-C 3.31Å; R342-F365 PolarHBondContact NH2-OXT 2.83Å

Retrieved 365 of 365 residues in 1937.7 ms (Link to these results)

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