A0A060VGH1_HUMAN Loading...

ABO glycosyltransferase

AlphaFold DB , UniProt , Accession A0A060VGH1, Species HUMAN (Homo sapiens, Human), Gene ABO, Length 353 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	49.3	Very low	52.5	Low	261 Å²	261	153.1 Å²	153.1	100%	1.135	79%	0.787	S	S	*	*				0	115.7	0	-75.2	177.2	176.7	172.7	0	108.1
2	P	41.9	Very low	53.7	Low	136 Å²	136	149.9 Å²	149.9	88%	0.883	77%	0.771	S	S	*	*				-116.6	167.4	120.6	-3	22.5	0	0	0	111.3
3	K	42.2	Very low	55.1	Low	200 Å²	200	150.5 Å²	150.5	87%	0.87	77%	0.765	S	S	*	*			trans	-93.1	138.8	-178.4	-63.7	170.6	177.3	175.4	0	110
4	C	40.7	Very low	56.1	Low	127 Å²	127	147.8 Å²	147.8	86%	0.858	75%	0.752	S	S	*	*			trans	-123.5	99	168.6	-166.4	0	0	0	0	109.6
5	H	50.7	Low	57	Low	182 Å²	182	144 Å²	144	84%	0.843	73%	0.733	S	S	*	*			trans	-141.7	102.8	176.3	-74.9	-52.4	0	0	0	109.7
6	A	53.2	Low	57.7	Low	83 Å²	83	142.3 Å²	142.3	69%	0.686	72%	0.724	S	S	*	*			trans	-162	-16.1	167	0	0	0	0	0	115.1	P9	A6-P9 WeakPolarHBondContact O-CD 3.49Å
7	L	54.9	Low	58.4	Low	144 Å²	144	139.5 Å²	139.5	75%	0.754	71%	0.71	S	S	*	*	H	α-helix	trans	-82.3	-17.9	-165.9	-140.3	76.6	0	0	0	116.1
8	R	53.8	Low	59	Low	219 Å²	219	136 Å²	136	83%	0.826	70%	0.696	S	S	*	*	H	α-helix	trans	-78.6	-39.3	-172.1	-138.8	175.8	-169.9	-179.8	2.3	116.3
9	P	58.6	Low	59.4	Low	91 Å²	91	134.6 Å²	134.6	59%	0.591	69%	0.69	S	S	*	*	H	α-helix	trans	-74	-28.3	-178.6	27.6	-33.5	0	0	0	113.4	A6 L12 F13	A6-P9 WeakPolarHBondContact O-CD 3.49Å; P9-L12 PolarHBondContact O-N 3.32Å; P9-F13 PolarHBondContact O-N 3.1Å
10	M	62.5	Low	59.7	Low	144 Å²	144	131.8 Å²	131.8	71%	0.709	68%	0.679	S	S	*	*	H	α-helix	trans	-70.5	-35.3	-176.5	-139.1	-164.9	177.3	0	0	113	F13 L14	M10-F13 PolarHBondContact O-N 3.31Å; M10-L14 PolarHBondContact O-N 3.13Å; M10-L14 VanDerWaalsContact O-N 3.1Å
11	I	69.4	Low	59.6	Low	97 Å²	97	131.1 Å²	131.1	50%	0.497	68%	0.676	S	S	.	*	H	α-helix	trans	-66.1	-41	177.7	-62.2	171.8	0	0	0	110.9	F13 L14 I15	I11-F13 VanDerWaalsContact C-N 3.34Å; I11-F13 PolarHBondContact O-N 3.46Å; I11-L14 PolarHBondContact O-N 3.1Å; I11-I15 HydrophobicContact CG2-CD1 4.03Å; I11-I15 WeakPolarHBondContact O-CG1 3.45Å; I11-I15 PolarHBondContact O-N 3.47Å; I11-I15 VanDerWaalsContact O-N 3.13Å
12	L	67.7	Low	59.8	Low	115 Å²	115	126.4 Å²	126.4	60%	0.602	66%	0.656	S	S	*	*	H	α-helix	trans	-62.8	-39.5	175.3	-79.3	161.8	0	0	0	112.1	P9 I15 M16	P9-L12 PolarHBondContact O-N 3.32Å; L12-I15 PolarHBondContact O-N 3.01Å; L12-M16 WeakPolarHBondContact O-CG 3.35Å; L12-M16 PolarHBondContact O-N 3.35Å; L12-M16 VanDerWaalsContact O-N 3.15Å
13	F	70.9	Confident	59.9	Low	157 Å²	157	121.9 Å²	121.9	69%	0.689	63%	0.634	S	S	*	*	H	α-helix	trans	-65.6	-39.1	177.2	-152.7	-90	0	0	0	112.2	P9 M10 I11 M16 L17	P9-F13 PolarHBondContact O-N 3.1Å; M10-F13 PolarHBondContact O-N 3.31Å; I11-F13 VanDerWaalsContact C-N 3.34Å; I11-F13 PolarHBondContact O-N 3.46Å; F13-M16 PolarHBondContact O-N 2.98Å; F13-L17 PolarHBondContact O-N 3.39Å; F13-L17 VanDerWaalsContact O-N 3.1Å
14	L	69	Low	59.9	Low	113 Å²	113	121.5 Å²	121.5	59%	0.592	63%	0.629	S	S	*	*	H	α-helix	trans	-64.8	-42.4	177.1	-135.9	81.2	0	0	0	112.3	M10 I11 L17 V18	M10-L14 PolarHBondContact O-N 3.13Å; M10-L14 VanDerWaalsContact O-N 3.1Å; I11-L14 PolarHBondContact O-N 3.1Å; L14-L17 PolarHBondContact O-N 3.37Å; L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.41Å; L14-V18 VanDerWaalsContact O-N 3.13Å
15	I	69.6	Low	60	Low	91 Å²	91	118.9 Å²	118.9	47%	0.467	62%	0.623	S	S	.	*	H	α-helix	trans	-63.7	-43	178.4	-67.4	165.8	0	0	0	110.9	I11 L12 L17 V18 L19	I11-I15 HydrophobicContact CG2-CD1 4.03Å; I11-I15 WeakPolarHBondContact O-CG1 3.45Å; I11-I15 PolarHBondContact O-N 3.47Å; I11-I15 VanDerWaalsContact O-N 3.13Å; L12-I15 PolarHBondContact O-N 3.01Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.45Å; I15-V18 PolarHBondContact O-N 3.46Å; I15-L19 HydrophobicContact CG2-CD1 4.12Å; I15-L19 WeakPolarHBondContact O-CG 3.38Å; I15-L19 PolarHBondContact O-N 3.33Å; I15-L19 VanDerWaalsContact O-N 3.1Å
16	M	68	Low	59.6	Low	117 Å²	117	116.1 Å²	116.1	58%	0.576	62%	0.618	S	S	*	*	H	α-helix	trans	-62.9	-39.7	176.3	-71.2	-61.5	-64.6	0	0	112.3	L12 F13 L19 V20	L12-M16 WeakPolarHBondContact O-CG 3.35Å; L12-M16 PolarHBondContact O-N 3.35Å; L12-M16 VanDerWaalsContact O-N 3.15Å; F13-M16 PolarHBondContact O-N 2.98Å; M16-L19 PolarHBondContact O-N 3.07Å; M16-V20 WeakPolarHBondContact O-CG2 3.49Å; M16-V20 PolarHBondContact O-N 3.36Å
17	L	70.6	Confident	58.9	Low	94 Å²	94	119.2 Å²	119.2	49%	0.492	62%	0.623	S	S	.	*	H	α-helix	trans	-64	-41.4	177.8	-169.1	69.6	0	0	0	112.1	F13 L14 I15 V20 L21	F13-L17 PolarHBondContact O-N 3.39Å; F13-L17 VanDerWaalsContact O-N 3.1Å; L14-L17 PolarHBondContact O-N 3.37Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.45Å; L17-V20 PolarHBondContact O-N 3.07Å; L17-L21 HydrophobicContact CG-CD1 4.17Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 3.22Å
18	V	69.3	Low	57.9	Low	77 Å²	77	118 Å²	118	47%	0.467	63%	0.626	S	S	.	*	H	α-helix	trans	-64.1	-41.9	176.3	173.4	0	0	0	0	111.5	L14 I15 L21 F22	L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.41Å; L14-V18 VanDerWaalsContact O-N 3.13Å; I15-V18 PolarHBondContact O-N 3.46Å; V18-L21 PolarHBondContact O-N 3.13Å; V18-F22 HydrophobicContact CG1-CD2 4.06Å; V18-F22 HydrophobicContact CG1-CE2 4.43Å; V18-F22 PolarHBondContact O-N 3.48Å
19	L	65.9	Low	57.1	Low	110 Å²	110	112.8 Å²	112.8	58%	0.576	62%	0.621	S	S	*	*	H	α-helix	trans	-65.8	-37.5	177.6	-71.1	170.4	0	0	0	112.7	I15 M16 G23	I15-L19 HydrophobicContact CG2-CD1 4.12Å; I15-L19 WeakPolarHBondContact O-CG 3.38Å; I15-L19 PolarHBondContact O-N 3.33Å; I15-L19 VanDerWaalsContact O-N 3.1Å; M16-L19 PolarHBondContact O-N 3.07Å; L19-G23 PolarHBondContact O-N 3.36Å
20	V	66.3	Low	55.8	Low	77 Å²	77	120 Å²	120	47%	0.467	64%	0.636	S	S	.	*	H	α-helix	trans	-67.5	-43.4	174.7	172	0	0	0	0	111.2	M16 L17 G23 Y24	M16-V20 WeakPolarHBondContact O-CG2 3.49Å; M16-V20 PolarHBondContact O-N 3.36Å; L17-V20 PolarHBondContact O-N 3.07Å; V20-G23 PolarHBondContact O-N 3.15Å; V20-Y24 HydrophobicContact CG1-CD2 4.07Å; V20-Y24 HydrophobicContact CG1-CE2 4.3Å; V20-Y24 WeakPolarHBondContact O-CD2 3.43Å; V20-Y24 PolarHBondContact O-N 3.45Å; V20-Y24 VanDerWaalsContact O-N 3.07Å
21	L	57.7	Low	54.2	Low	118 Å²	118	118.8 Å²	118.8	62%	0.618	64%	0.642	S	S	*	*	H	α-helix	trans	-65	-40.5	178.7	-73.4	167.7	0	0	0	112.7	L17 V18	L17-L21 HydrophobicContact CG-CD1 4.17Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 3.22Å; V18-L21 PolarHBondContact O-N 3.13Å
22	F	52	Low	52.3	Low	162 Å²	162	121.5 Å²	121.5	71%	0.711	66%	0.657	S	S	*	*	H	α-helix	trans	-73.5	-33.5	174.4	-91.2	-90.8	0	0	0	113.1	V18 G25	V18-F22 HydrophobicContact CG1-CD2 4.06Å; V18-F22 HydrophobicContact CG1-CE2 4.43Å; V18-F22 PolarHBondContact O-N 3.48Å; F22-G25 PolarHBondContact O-N 3.03Å
23	G	45.8	Very low	50.6	Low	42 Å²	42	124 Å²	124	43%	0.433	67%	0.667	S	S	.	*	H	α-helix	trans	-64.5	-37.5	175.9	0	0	0	0	0	113.5	L19 V20 G25	L19-G23 PolarHBondContact O-N 3.36Å; V20-G23 PolarHBondContact O-N 3.15Å; G23-G25 VanDerWaalsContact C-N 3.31Å; G23-G25 PolarHBondContact O-N 2.91Å
24	Y	42.3	Very low	49.1	Very low	192 Å²	192	122.3 Å²	122.3	75%	0.753	67%	0.672	S	S	*	*	H	α-helix	trans	-72.8	-18.8	176.6	-94.9	-89.5	0	0	0	114.2	V20 V26	V20-Y24 HydrophobicContact CG1-CD2 4.07Å; V20-Y24 HydrophobicContact CG1-CE2 4.3Å; V20-Y24 WeakPolarHBondContact O-CD2 3.43Å; V20-Y24 PolarHBondContact O-N 3.45Å; V20-Y24 VanDerWaalsContact O-N 3.07Å; Y24-V26 VanDerWaalsContact C-N 3.25Å; Y24-V26 PolarHBondContact O-N 3.1Å
25	G	41.1	Very low	47.1	Very low	71 Å²	71	120.2 Å²	120.2	73%	0.732	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-11.9	176.8	0	0	0	0	0	115.1	F22 G23	F22-G25 PolarHBondContact O-N 3.03Å; G23-G25 VanDerWaalsContact C-N 3.31Å; G23-G25 PolarHBondContact O-N 2.91Å
26	V	43.3	Very low	45	Very low	124 Å²	124	121.1 Å²	121.1	75%	0.752	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-7.3	-171.6	-177.6	0	0	0	0	112.9	Y24	Y24-V26 VanDerWaalsContact C-N 3.25Å; Y24-V26 PolarHBondContact O-N 3.1Å
27	L	38.6	Very low	43.1	Very low	148 Å²	148	122.8 Å²	122.8	78%	0.775	70%	0.702	S	S	*	*			trans	-130.9	79.6	-177	-79	165.9	0	0	0	112.4
28	S	33.5	Very low	41.1	Very low	119 Å²	119	124 Å²	124	83%	0.832	71%	0.706	S	S	*	*			trans	-134.9	109	163.3	-169.6	0	0	0	0	110.6
29	P	36.8	Very low	39	Very low	109 Å²	109	130.5 Å²	130.5	71%	0.708	72%	0.722	S	S	*	*			trans	-97	151.5	179.4	35.4	-32	0	0	0	113.1
30	R	30.8	Very low	37.1	Very low	243 Å²	243	128.4 Å²	128.4	92%	0.917	73%	0.726	S	S	*	*			trans	95.7	114.4	168.4	-57.2	172.1	171	-179.2	-2.9	117.4
31	S	29.8	Very low	35.1	Very low	119 Å²	119	134.5 Å²	134.5	83%	0.832	75%	0.747	S	S	*	*				-166.5	122.9	106.9	54.3	0	0	0	0	111.3
32	L	30.4	Very low	33.6	Very low	154 Å²	154	135.5 Å²	135.5	81%	0.806	76%	0.762	S	S	*	*			trans	-78.4	136.6	163.1	-84.2	75.1	0	0	0	109.1
33	M	30.4	Very low	32.4	Very low	167 Å²	167	135.5 Å²	135.5	82%	0.823	77%	0.767	S	S	*	*				170.3	159.2	115.7	-87.8	-55	168.4	0	0	111.2
34	P	41	Very low	31.5	Very low	122 Å²	122	138.3 Å²	138.3	79%	0.792	79%	0.785	S	S	*	*			trans	-98.9	156.5	-162.7	37.9	-36.5	0	0	0	115
35	G	25.7	Very low	31	Very low	68 Å²	68	135.1 Å²	135.1	70%	0.701	79%	0.786	S	S	*	*			trans	-174.3	102.7	172.1	0	0	0	0	0	115.5
36	S	25.9	Very low	30.5	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	79%	0.793	S	S	*	*			trans	38.6	128.9	143.2	58.1	0	0	0	0	123.2
37	L	27.3	Very low	29.7	Very low	152 Å²	152	143.6 Å²	143.6	80%	0.796	79%	0.788	S	S	*	*			trans	75.6	151.1	146.8	-97.7	67.4	0	0	0	116.7
38	E	29.4	Very low	29.8	Very low	120 Å²	120	142.5 Å²	142.5	56%	0.561	79%	0.79	S	S	*	*			cis	-132.3	135.2	1.8	-92.2	-85.8	86.5	0	0	108.8
39	R	24.5	Very low	29.9	Very low	214 Å²	214	143.9 Å²	143.9	81%	0.808	79%	0.788	S	S	*	*				75.2	112.4	91.5	-161.5	-171.3	-56.7	-168.2	13.4	116.6
40	G	26.7	Very low	30	Very low	65 Å²	65	146.3 Å²	146.3	67%	0.67	79%	0.789	S	S	*	*			trans	125.8	83.2	151.7	0	0	0	0	0	117.7
41	F	25.4	Very low	30.8	Very low	206 Å²	206	140.6 Å²	140.6	90%	0.904	78%	0.777	S	S	*	*			trans	168.4	90	130.6	-102.8	-75.9	0	0	0	109.6	M43	F41-M43 PolarHBondContact O-N 3.3Å; F41-M43 VanDerWaalsContact O-N 3.07Å
42	C	24.9	Very low	31.7	Very low	138 Å²	138	142.7 Å²	142.7	93%	0.932	77%	0.773	S	S	*	*			trans	-78.5	88	173.1	-67.8	0	0	0	0	110.5
43	M	28.1	Very low	32.9	Very low	163 Å²	163	147.2 Å²	147.2	80%	0.803	78%	0.78	S	S	*	*			trans	-87.4	116.8	149.6	-74.2	-153.4	-71	0	0	108	F41 V45	F41-M43 PolarHBondContact O-N 3.3Å; F41-M43 VanDerWaalsContact O-N 3.07Å; M43-V45 VanDerWaalsContact C-N 3.27Å; M43-V45 PolarHBondContact O-N 3.1Å
44	A	26.8	Very low	34.9	Very low	100 Å²	100	142.6 Å²	142.6	83%	0.826	76%	0.761	S	S	*	*			trans	-72.2	82.6	178.9	0	0	0	0	0	110.4	R46	A44-R46 PolarHBondContact O-N 2.86Å; A44-R46 VanDerWaalsContact O-N 3.1Å
45	V	30.1	Very low	37.1	Very low	125 Å²	125	141.8 Å²	141.8	76%	0.758	76%	0.758	S	S	*	*			trans	-64.6	106	162.2	179.7	0	0	0	0	106.8	M43 E47	M43-V45 VanDerWaalsContact C-N 3.27Å; M43-V45 PolarHBondContact O-N 3.1Å; V45-E47 PolarHBondContact O-N 2.66Å
46	R	30.6	Very low	40.2	Very low	233 Å²	233	141.5 Å²	141.5	88%	0.879	74%	0.74	S	S	*	*			trans	-66.2	118.3	166.3	-83.7	-177.5	171.5	172.6	-3.4	108	A44	A44-R46 PolarHBondContact O-N 2.86Å; A44-R46 VanDerWaalsContact O-N 3.1Å
47	E	28.2	Very low	43.4	Very low	140 Å²	140	139.3 Å²	139.3	65%	0.654	72%	0.723	S	S	*	*			trans	-62.6	146.1	167.7	-67.4	-175.4	138.4	0	0	110.1	V45 D49	V45-E47 PolarHBondContact O-N 2.66Å; E47-D49 VanDerWaalsContact C-N 3.26Å; E47-D49 PolarHBondContact O-N 3.01Å
48	P	39.6	Very low	46.5	Very low	126 Å²	126	143.2 Å²	143.2	82%	0.818	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-14.6	-173.7	-19	33.5	0	0	0	115
49	D	36.3	Very low	49.6	Very low	147 Å²	147	140 Å²	140	79%	0.786	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	10.5	-164.9	-77.1	-30.9	0	0	0	115.3	E47 L51	E47-D49 VanDerWaalsContact C-N 3.26Å; E47-D49 PolarHBondContact O-N 3.01Å; D49-L51 PolarHBondContact O-N 2.96Å
50	H	38.7	Very low	52.9	Low	160 Å²	160	136.2 Å²	136.2	74%	0.741	71%	0.713	S	S	*	*			trans	-76.3	50.1	170.1	-73.9	-44.4	0	0	0	113.3	Q52	H50-Q52 VanDerWaalsContact C-N 3.32Å; H50-Q52 PolarHBondContact O-N 3.29Å
51	L	47.4	Very low	55.9	Low	124 Å²	124	138.6 Å²	138.6	65%	0.649	70%	0.703	S	S	*	*			trans	-65.2	96.5	157.3	-105.9	159.3	0	0	0	107.7	D49 R53	D49-L51 PolarHBondContact O-N 2.96Å; L51-R53 PolarHBondContact O-N 2.67Å
52	Q	49.1	Very low	58.8	Low	163 Å²	163	132 Å²	132	76%	0.762	68%	0.68	S	S	*	*			trans	-53.3	115.4	172.1	-166.6	172.4	14	0	0	107.4	H50 V54	H50-Q52 VanDerWaalsContact C-N 3.32Å; H50-Q52 PolarHBondContact O-N 3.29Å; Q52-V54 HydrophobicContact CB-CG2 4.39Å; Q52-V54 HydrophobicContact CG-CG2 4.18Å; Q52-V54 PolarHBondContact O-N 2.95Å
53	R	55.8	Low	61.6	Low	249 Å²	249	133.3 Å²	133.3	94%	0.94	67%	0.673	S	S	*	*			trans	-78.3	62.3	-167.2	-157.8	-173.5	-144.8	-175.2	8.5	111.2	L51 S55	L51-R53 PolarHBondContact O-N 2.67Å; R53-S55 PolarHBondContact O-N 2.97Å
54	V	72.2	Confident	64.2	Low	70 Å²	70	129.7 Å²	129.7	42%	0.424	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-70.3	121.5	178.6	-164.9	0	0	0	0	108.2	Q52 L56 L110	Q52-V54 HydrophobicContact CB-CG2 4.39Å; Q52-V54 HydrophobicContact CG-CG2 4.18Å; Q52-V54 PolarHBondContact O-N 2.95Å; V54-L56 PolarHBondContact O-N 3.38Å; V54-L110 HydrophobicContact CB-CB 4.25Å; V54-L110 HydrophobicContact CB-CD1 4.37Å; V54-L110 HydrophobicContact CG1-CB 4.13Å; V54-L110 HydrophobicContact CG1-CD1 3.96Å; V54-L110 HydrophobicContact CG1-CD2 3.94Å; V54-L110 HydrophobicContact CG1-CG 4.22Å
55	S	85.9	Confident	66.7	Low	105 Å²	105	129.7 Å²	129.7	73%	0.734	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-67.2	133.7	174.7	-174.5	0	0	0	0	109.3	R53	R53-S55 PolarHBondContact O-N 2.97Å
56	L	91.8	Very high	68.9	Low	62 Å²	62	130.3 Å²	130.3	33%	0.325	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-59.2	145.7	165.3	-71.2	169.8	0	0	0	109.6	V54 I103 E106 Q107 L110	V54-L56 PolarHBondContact O-N 3.38Å; L56-I103 HydrophobicContact CD1-CG2 4.45Å; L56-E106 HydrophobicContact CD2-CB 3.62Å; L56-Q107 HydrophobicContact CD1-CG 4.2Å; L56-Q107 HydrophobicContact CD2-CG 3.88Å; L56-Q107 HydrophobicContact CG-CG 4.5Å; L56-L110 HydrophobicContact CD2-CD1 3.92Å
57	P	92	Very high	71	Confident	63 Å²	63	127 Å²	127	41%	0.409	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-65.4	168	171.8	29.3	-35	0	0	0	110.6	M59 E106	P57-M59 HydrophobicContact CG-CG 4.39Å; P57-M59 PolarHBondContact O-N 2.83Å; P57-M59 VanDerWaalsContact O-N 3.13Å; P57-E106 HydrophobicContact CG-CG 4.27Å
58	R	93.4	Very high	72.4	Confident	234 Å²	234	123.3 Å²	123.3	88%	0.883	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-62.8	116.8	168.6	174.8	179.4	171.1	151.6	-1.5	109.1
59	M	94.2	Very high	73.3	Confident	53 Å²	53	120.8 Å²	120.8	26%	0.261	62%	0.616	S	S	.	*			trans	-113.7	152	174.6	-56.9	179.4	79.8	0	0	110.4	P57 Y61 D102 I103 E106	P57-M59 HydrophobicContact CG-CG 4.39Å; P57-M59 PolarHBondContact O-N 2.83Å; P57-M59 VanDerWaalsContact O-N 3.13Å; M59-Y61 HydrophobicContact CB-CD1 3.73Å; M59-Y61 HydrophobicContact CB-CE1 3.81Å; M59-D102 HydrophobicContact CE-CB 3.81Å; M59-I103 HydrophobicContact CE-CG1 4.16Å; M59-I103 HydrophobicContact SD-CG1 4.21Å; M59-E106 HydrophobicContact CE-CG 3.88Å; M59-E106 HydrophobicContact SD-CB 4.47Å; M59-E106 HydrophobicContact SD-CG 4.04Å
60	V	93.3	Very high	74.2	Confident	134 Å²	134	114.7 Å²	114.7	81%	0.812	59%	0.585	S	S	*	*			trans	-121.1	114.6	172.5	-179.7	0	0	0	0	107.5
61	Y	90.1	Very high	74.3	Confident	116 Å²	116	117.4 Å²	117.4	46%	0.455	59%	0.589	S	S	.	*			trans	-144.8	159.9	-178.2	50.4	-104.3	0	0	0	110.6	M59 Q63 I103	M59-Y61 HydrophobicContact CB-CD1 3.73Å; M59-Y61 HydrophobicContact CB-CE1 3.81Å; Y61-Q63 PolarHBondContact O-N 3.43Å; Y61-I103 HydrophobicContact CD1-CD1 3.85Å; Y61-I103 HydrophobicContact CD1-CG1 4.09Å; Y61-I103 HydrophobicContact CD2-CD1 4.21Å; Y61-I103 HydrophobicContact CE1-CD1 3.64Å; Y61-I103 HydrophobicContact CE1-CG1 4.05Å; Y61-I103 HydrophobicContact CE2-CD1 4.02Å; Y61-I103 HydrophobicContact CG-CD1 4.14Å
62	P	86.1	Confident	74.1	Confident	67 Å²	67	121.1 Å²	121.1	44%	0.435	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-57.1	129.5	176.8	-25.7	35.3	0	0	0	112.3	V76	P62-V76 HydrophobicContact CB-CG1 4.14Å
63	Q	83.9	Confident	73.7	Confident	166 Å²	166	119.9 Å²	119.9	78%	0.776	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-61.4	131.8	-179.7	-172.5	-178.5	9.3	0	0	111.3	Y61 K65	Y61-Q63 PolarHBondContact O-N 3.43Å; Q63-K65 PolarHBondContact O-N 3.08Å
64	P	83.5	Confident	73	Confident	86 Å²	86	112.8 Å²	112.8	56%	0.558	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-58.8	126.2	174	-25.2	34.9	0	0	0	112.2	V66	P64-V66 PolarHBondContact O-N 3.48Å
65	K	78.9	Confident	71.4	Confident	101 Å²	101	117.9 Å²	117.9	44%	0.439	61%	0.606	S	S	.	*			trans	-90.9	87	-177.3	-67.5	-176.5	177	179.2	0	111.8	Q63 L67 T68 V76	Q63-K65 PolarHBondContact O-N 3.08Å; K65-L67 VanDerWaalsContact C-N 3.28Å; K65-L67 PolarHBondContact O-N 3.24Å; K65-L67 VanDerWaalsContact O-N 3.16Å; K65-T68 PolarHBondContact O-N 3.24Å; K65-T68 VanDerWaalsContact O-N 3.07Å; K65-V76 HydrophobicContact CD-CG1 4.25Å; K65-V76 HydrophobicContact CG-CG1 4.32Å
66	V	76.5	Confident	69.4	Low	137 Å²	137	114.3 Å²	114.3	83%	0.83	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.6	-42.8	-176.2	-177	0	0	0	0	113.6	P64	P64-V66 PolarHBondContact O-N 3.48Å
67	L	73.4	Confident	67.1	Low	164 Å²	164	113.9 Å²	113.9	86%	0.859	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	10.1	-175.3	-59.3	179	0	0	0	114.2	K65	K65-L67 VanDerWaalsContact C-N 3.28Å; K65-L67 PolarHBondContact O-N 3.24Å; K65-L67 VanDerWaalsContact O-N 3.16Å
68	T	57.8	Low	65.1	Low	62 Å²	62	111.5 Å²	111.5	38%	0.38	56%	0.564	S	S	.	*			trans	-124	90.6	-175.7	-52.7	0	0	0	0	112	K65	K65-T68 PolarHBondContact O-N 3.24Å; K65-T68 VanDerWaalsContact O-N 3.07Å
69	P	58.7	Low	63.7	Low	73 Å²	73	103.6 Å²	103.6	47%	0.474	55%	0.545	S	S	.	.			trans	-63.7	132.6	151.3	30.8	-32.7	0	0	0	107.3	K81	P69-K81 HydrophobicContact CB-CG 4.03Å; P69-K81 WeakPolarHBondContact O-CE 3.47Å; P69-K81 PolarHBondContact O-NZ 3.18Å
70	C	55.6	Low	63.3	Low	20 Å²	20	101.7 Å²	101.7	14%	0.135	54%	0.535	C	S	.	.			trans	-79.2	152	-153.1	-74.3	0	0	0	0	116.8	C78 S79 K81	C70-C78 HydrophobicContact CB-CB 3.66Å; C70-C78 WeakPolarHBondContact CB-SG 3.33Å; C70-C78 WeakPolarHBondContact SG-CA 3.35Å; C70-C78 WeakPolarHBondContact SG-CB 3.33Å; C70-C78 CovalentContact SG-SG 2.03Å; C70-C78 PolarHBondContact SG-SG 2.91Å; C70-S79 PolarHBondContact N-O 2.9Å; C70-S79 VanDerWaalsContact N-O 3.08Å; C70-K81 WeakPolarHBondContact O-CD 3.25Å; C70-K81 VanDerWaalsContact O-CE 3.29Å; C70-K81 WeakPolarHBondContact O-CE 3.47Å; C70-K81 PolarHBondContact O-NZ 3.04Å
71	R	40.6	Very low	63.1	Low	217 Å²	217	101.3 Å²	101.3	82%	0.819	52%	0.522	S	S	*	.			trans	-104.6	163.3	165.3	-126.1	179.8	-174.3	178.2	0.9	108	D73	R71-D73 VanDerWaalsContact C-N 3.28Å; R71-D73 PolarHBondContact O-N 3.46Å; R71-D73 VanDerWaalsContact O-N 3.08Å
72	K	43.4	Very low	63.3	Low	201 Å²	201	99.8 Å²	99.8	87%	0.874	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.3	-155.3	-77.3	-175.6	171.9	-176.6	0	116.7
73	D	41	Very low	63.8	Low	138 Å²	138	98 Å²	98	74%	0.738	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	16.9	-148.9	-42.2	-61.9	0	0	0	116.1	R71	R71-D73 VanDerWaalsContact C-N 3.28Å; R71-D73 PolarHBondContact O-N 3.46Å; R71-D73 VanDerWaalsContact O-N 3.08Å
74	V	40.3	Very low	64.4	Low	99 Å²	99	94.7 Å²	94.7	60%	0.6	50%	0.497	S	S	*	.			trans	-139.1	129.1	175.1	-162.3	0	0	0	0	112.9	V76	V74-V76 VanDerWaalsContact C-N 3.35Å; V74-V76 HydrophobicContact CG1-CG2 3.93Å; V74-V76 PolarHBondContact O-N 2.93Å
75	L	39.4	Very low	65	Low	178 Å²	178	92.7 Å²	92.7	93%	0.932	48%	0.483	S	S	*	.			trans	-74.2	80	175.9	-127.8	139.2	0	0	0	110.8
76	V	42.8	Very low	65.9	Low	29 Å²	29	90.9 Å²	90.9	18%	0.176	48%	0.48	C	S	.	.	S	Bend	trans	-126.4	155.2	170.1	180	0	0	0	0	107.5	P62 K65 V74 C78	P62-V76 HydrophobicContact CB-CG1 4.14Å; K65-V76 HydrophobicContact CD-CG1 4.25Å; K65-V76 HydrophobicContact CG-CG1 4.32Å; V74-V76 VanDerWaalsContact C-N 3.35Å; V74-V76 HydrophobicContact CG1-CG2 3.93Å; V74-V76 PolarHBondContact O-N 2.93Å; V76-C78 WeakPolarHBondContact O-CB 3.49Å; V76-C78 PolarHBondContact O-N 3.1Å; V76-C78 PolarHBondContact O-SG 3.48Å
77	V	44.4	Very low	66.9	Low	53 Å²	53	84.5 Å²	84.5	32%	0.321	44%	0.442	S	S	.	.			trans	-56.9	111.9	169.4	-177.8	0	0	0	0	107.8	N100	V77-N100 HydrophobicContact CG2-CB 4.18Å
78	C	50.1	Low	68.1	Low	13 Å²	13	82.2 Å²	82.2	9%	0.088	44%	0.436	C	S	.	.			trans	-132.9	111	-153.3	-110.7	0	0	0	0	112.4	C70 V76 R80 G97	C70-C78 HydrophobicContact CB-CB 3.66Å; C70-C78 WeakPolarHBondContact CB-SG 3.33Å; C70-C78 WeakPolarHBondContact SG-CA 3.35Å; C70-C78 WeakPolarHBondContact SG-CB 3.33Å; C70-C78 CovalentContact SG-SG 2.03Å; C70-C78 PolarHBondContact SG-SG 2.91Å; V76-C78 WeakPolarHBondContact O-CB 3.49Å; V76-C78 PolarHBondContact O-N 3.1Å; V76-C78 PolarHBondContact O-SG 3.48Å; C78-R80 PolarHBondContact O-N 3.18Å; C78-R80 VanDerWaalsContact O-N 3.15Å; C78-G97 PolarHBondContact N-O 3.41Å
79	S	63.9	Low	70	Confident	68 Å²	68	82.1 Å²	82.1	48%	0.476	43%	0.429	S	S	.	.			trans	-52.7	120.3	170.9	-56.1	0	0	0	0	110.6	C70	C70-S79 PolarHBondContact N-O 2.9Å; C70-S79 VanDerWaalsContact N-O 3.08Å
80	R	84.7	Confident	71.9	Confident	14 Å²	14	85.6 Å²	85.6	5%	0.053	44%	0.443	C	S	.	.			trans	-58.8	150.1	176	-60.5	-76.3	-70.6	-97.2	-9.3	110.2	C78 D82 V83 V85 W95 E96 T98 E321 V334	C78-R80 PolarHBondContact O-N 3.18Å; C78-R80 VanDerWaalsContact O-N 3.15Å; R80-D82 IonicContact CZ-OD1 2.94Å; R80-D82 IonicContact CZ-OD2 2.88Å; R80-D82 IonicContact NE-OD1 3.01Å; R80-D82 PolarHBondContact NE-OD1 3.16Å; R80-D82 IonicContact NE-OD2 3.14Å; R80-D82 PolarHBondContact NE-OD2 3.29Å; R80-D82 VanDerWaalsContact NE-OD2 3.14Å; R80-D82 IonicContact NH2-OD1 3.98Å; R80-D82 IonicContact NH2-OD2 2.69Å; R80-D82 PolarHBondContact NH2-OD2 3.01Å; R80-V83 HydrophobicContact CB-CG2 3.59Å; R80-V83 HydrophobicContact CG-CG2 3.81Å; R80-V85 HydrophobicContact CB-CG1 3.73Å; R80-V85 HydrophobicContact CG-CG1 4Å; R80-W95 HydrophobicContact CG-CB 4.5Å; R80-E96 PolarHBondContact NH1-O 3.12Å; R80-T98 HydrophobicContact CG-CG2 4.06Å; R80-E321 IonicContact NH1-OE1 3.96Å; R80-E321 PolarHBondContact NH1-OE1 2.92Å; R80-V334 PolarHBondContact NH2-O 3.28Å
81	K	89.6	Confident	73.9	Confident	126 Å²	126	84.9 Å²	84.9	55%	0.548	44%	0.438	S	S	.	.	S	Bend	trans	-111	-15.8	173.4	-83.7	-165.3	177	132.3	0	113.4	P69 C70	P69-K81 HydrophobicContact CB-CG 4.03Å; P69-K81 WeakPolarHBondContact O-CE 3.47Å; P69-K81 PolarHBondContact O-NZ 3.18Å; C70-K81 WeakPolarHBondContact O-CD 3.25Å; C70-K81 VanDerWaalsContact O-CE 3.29Å; C70-K81 WeakPolarHBondContact O-CE 3.47Å; C70-K81 PolarHBondContact O-NZ 3.04Å
82	D	94.5	Very high	76.6	Confident	84 Å²	84	77.4 Å²	77.4	45%	0.449	42%	0.418	S	S	.	.	S	Bend	trans	-101.6	-9.1	-166	53.1	-56.2	0	0	0	112.6	R80	R80-D82 IonicContact CZ-OD1 2.94Å; R80-D82 IonicContact CZ-OD2 2.88Å; R80-D82 IonicContact NE-OD1 3.01Å; R80-D82 PolarHBondContact NE-OD1 3.16Å; R80-D82 IonicContact NE-OD2 3.14Å; R80-D82 PolarHBondContact NE-OD2 3.29Å; R80-D82 VanDerWaalsContact NE-OD2 3.14Å; R80-D82 IonicContact NH2-OD1 3.98Å; R80-D82 IonicContact NH2-OD2 2.69Å; R80-D82 PolarHBondContact NH2-OD2 3.01Å
83	V	96.4	Very high	79.3	Confident	30 Å²	30	68 Å²	68	18%	0.182	38%	0.377	C	S	.	.	S	Bend	trans	-144.5	157.9	-179	-60	0	0	0	0	111.2	R80 V85 W95 V334	R80-V83 HydrophobicContact CB-CG2 3.59Å; R80-V83 HydrophobicContact CG-CG2 3.81Å; V83-V85 HydrophobicContact CG2-CG1 4.11Å; V83-W95 HydrophobicContact CB-CD2 4.24Å; V83-W95 HydrophobicContact CB-CH2 4.38Å; V83-W95 HydrophobicContact CB-CZ2 3.83Å; V83-W95 HydrophobicContact CG1-CD2 4.24Å; V83-W95 HydrophobicContact CG1-CE3 4.26Å; V83-W95 HydrophobicContact CG1-CH2 3.74Å; V83-W95 HydrophobicContact CG1-CZ2 3.7Å; V83-W95 HydrophobicContact CG1-CZ3 4Å; V83-W95 HydrophobicContact CG2-CD2 3.77Å; V83-W95 HydrophobicContact CG2-CE3 4.42Å; V83-W95 HydrophobicContact CG2-CG 3.84Å; V83-W95 HydrophobicContact CG2-CZ2 4.28Å; V83-V334 HydrophobicContact CG1-CG2 3.21Å
84	L	96.8	Very high	82	Confident	95 Å²	95	61.7 Å²	61.7	50%	0.497	34%	0.344	S	S	.	.			trans	-72.1	130.1	166	-173.3	67.4	0	0	0	109.6	V86 I93 W95 F262	L84-V86 VanDerWaalsContact CD1-O 3.26Å; L84-V86 WeakPolarHBondContact CD1-O 3.47Å; L84-V86 VanDerWaalsContact CG-O 3.25Å; L84-V86 WeakPolarHBondContact CG-O 3.41Å; L84-I93 HydrophobicContact CB-CD1 4.12Å; L84-I93 HydrophobicContact CD2-CD1 3.76Å; L84-I93 HydrophobicContact CG-CD1 3.8Å; L84-W95 PolarHBondContact O-NE1 3.45Å; L84-F262 HydrophobicContact CD2-CZ 4.13Å
85	V	96.4	Very high	84.8	Confident	44 Å²	44	57.4 Å²	57.4	27%	0.267	32%	0.317	S	S	.	.			trans	-112.7	-4.6	-177.6	-62	0	0	0	0	114	R80 V83 I93 T98	R80-V85 HydrophobicContact CB-CG1 3.73Å; R80-V85 HydrophobicContact CG-CG1 4Å; V83-V85 HydrophobicContact CG2-CG1 4.11Å; V85-I93 PolarHBondContact O-N 2.99Å; V85-T98 HydrophobicContact CB-CG2 4.16Å; V85-T98 HydrophobicContact CG1-CG2 3.69Å
86	V	97.5	Very high	87.6	Confident	64 Å²	64	51.4 Å²	51.4	39%	0.388	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-148.8	137	177.1	62.2	0	0	0	0	109.2	L84 A91	L84-V86 VanDerWaalsContact CD1-O 3.26Å; L84-V86 WeakPolarHBondContact CD1-O 3.47Å; L84-V86 VanDerWaalsContact CG-O 3.25Å; L84-V86 WeakPolarHBondContact CG-O 3.41Å; V86-A91 CarbonylContact C-O 3.56Å; V86-A91 WeakPolarHBondContact CA-O 3.36Å
87	T	97.9	Very high	89.9	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	28%	0.283	C	S	.	.			trans	-76.2	164.9	178.7	69.4	0	0	0	0	111.5	W89 L90 A91 I93 F262 V317	T87-W89 HydrophobicContact CG2-CD2 4.39Å; T87-W89 HydrophobicContact CG2-CH2 4.03Å; T87-W89 HydrophobicContact CG2-CZ2 3.65Å; T87-W89 PolarHBondContact O-N 2.7Å; T87-W89 VanDerWaalsContact O-N 3.1Å; T87-W89 VanDerWaalsContact OG1-CD1 3.32Å; T87-W89 VanDerWaalsContact OG1-CG 3.29Å; T87-W89 PolarHBondContact OG1-N 2.88Å; T87-W89 PolarHBondContact OG1-NE1 2.96Å; T87-L90 PolarHBondContact O-N 3.45Å; T87-L90 PolarHBondContact OG1-N 3.1Å; T87-A91 HydrophobicContact CG2-CB 4.1Å; T87-A91 PolarHBondContact N-O 3.33Å; T87-A91 WeakPolarHBondContact OG1-CB 3.23Å; T87-A91 PolarHBondContact OG1-N 3.23Å; T87-A91 PolarHBondContact OG1-O 2.6Å; T87-I93 HydrophobicContact CG2-CD1 4.03Å; T87-I93 HydrophobicContact CG2-CG1 3.83Å; T87-F262 HydrophobicContact CG2-CE2 3.89Å; T87-F262 HydrophobicContact CG2-CZ 4.34Å; T87-V317 HydrophobicContact CG2-CG2 3.87Å
88	P	98.3	Very high	92.3	Very high	115 Å²	115	50.5 Å²	50.5	75%	0.747	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.7	172.2	-26.1	36.2	0	0	0	114.7
89	W	98.4	Very high	94.4	Very high	60 Å²	60	51.7 Å²	51.7	23%	0.227	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	21.9	174.6	63.1	87.7	0	0	0	113.3	T87 A91 D261 F262 K313 P314 V317	T87-W89 HydrophobicContact CG2-CD2 4.39Å; T87-W89 HydrophobicContact CG2-CH2 4.03Å; T87-W89 HydrophobicContact CG2-CZ2 3.65Å; T87-W89 PolarHBondContact O-N 2.7Å; T87-W89 VanDerWaalsContact O-N 3.1Å; T87-W89 VanDerWaalsContact OG1-CD1 3.32Å; T87-W89 VanDerWaalsContact OG1-CG 3.29Å; T87-W89 PolarHBondContact OG1-N 2.88Å; T87-W89 PolarHBondContact OG1-NE1 2.96Å; W89-A91 VanDerWaalsContact C-N 3.27Å; W89-A91 VanDerWaalsContact NE1-CB 3.29Å; W89-A91 PolarHBondContact O-N 3.26Å; W89-D261 HydrophobicContact CH2-CB 3.69Å; W89-D261 HydrophobicContact CZ3-CB 3.66Å; W89-D261 WeakPolarHBondContact CZ3-OD1 3.44Å; W89-F262 AromaticContact CH2-CD2 3.92Å; W89-F262 HydrophobicContact CH2-CD2 3.92Å; W89-F262 AromaticContact CH2-CE2 3.68Å; W89-F262 HydrophobicContact CH2-CE2 3.68Å; W89-F262 HydrophobicContact CZ2-CE2 4.41Å; W89-F262 HydrophobicContact CZ3-CE2 4.28Å; W89-K313 HydrophobicContact CD2-CB 4.03Å; W89-K313 HydrophobicContact CD2-CD 4.18Å; W89-K313 HydrophobicContact CD2-CG 4.07Å; W89-K313 HydrophobicContact CE3-CD 4.18Å; W89-K313 HydrophobicContact CE3-CG 4.48Å; W89-K313 HydrophobicContact CG-CB 3.96Å; W89-K313 HydrophobicContact CG-CG 4.16Å; W89-K313 HydrophobicContact CH2-CD 4.41Å; W89-K313 HydrophobicContact CZ2-CB 4.45Å; W89-K313 HydrophobicContact CZ2-CD 4.42Å; W89-K313 HydrophobicContact CZ3-CD 4.31Å; W89-P314 HydrophobicContact CZ2-CG 4.17Å; W89-P314 PolarHBondContact NE1-O 2.86Å; W89-V317 HydrophobicContact CZ2-CG2 4.3Å
90	L	98.1	Very high	95.9	Very high	147 Å²	147	49.6 Å²	49.6	77%	0.77	27%	0.269	S	S	*	.	S	Bend	trans	66.5	15.1	173.6	-51.2	177.4	0	0	0	116.1	T87	T87-L90 PolarHBondContact O-N 3.45Å; T87-L90 PolarHBondContact OG1-N 3.1Å
91	A	97.8	Very high	96.5	Very high	4 Å²	4	51 Å²	51	3%	0.033	28%	0.277	C	S	.	.			trans	-77.3	132.7	170	0	0	0	0	0	110.6	V86 T87 W89 P314 T315	V86-A91 CarbonylContact C-O 3.56Å; V86-A91 WeakPolarHBondContact CA-O 3.36Å; T87-A91 HydrophobicContact CG2-CB 4.1Å; T87-A91 PolarHBondContact N-O 3.33Å; T87-A91 WeakPolarHBondContact OG1-CB 3.23Å; T87-A91 PolarHBondContact OG1-N 3.23Å; T87-A91 PolarHBondContact OG1-O 2.6Å; W89-A91 VanDerWaalsContact C-N 3.27Å; W89-A91 VanDerWaalsContact NE1-CB 3.29Å; W89-A91 PolarHBondContact O-N 3.26Å; A91-P314 WeakPolarHBondContact CB-O 3.37Å; A91-T315 WeakPolarHBondContact CB-O 3.41Å
92	P	98.1	Very high	96.8	Very high	60 Å²	60	49.5 Å²	49.5	39%	0.39	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-61.2	138.8	172.6	-23.7	34.1	0	0	0	112	T315 K316 V317	P92-T315 WeakPolarHBondContact CD-O 3.37Å; P92-K316 HydrophobicContact CB-CG 4.5Å; P92-K316 HydrophobicContact CG-CG 4.46Å; P92-K316 WeakPolarHBondContact O-CA 3.2Å; P92-V317 PolarHBondContact O-N 3.22Å
93	I	98.6	Very high	96.9	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.5	164.4	-46.7	-173.1	0	0	0	107.3	L84 V85 T87 W95 L231 F262 V317	L84-I93 HydrophobicContact CB-CD1 4.12Å; L84-I93 HydrophobicContact CD2-CD1 3.76Å; L84-I93 HydrophobicContact CG-CD1 3.8Å; V85-I93 PolarHBondContact O-N 2.99Å; T87-I93 HydrophobicContact CG2-CD1 4.03Å; T87-I93 HydrophobicContact CG2-CG1 3.83Å; I93-W95 VanDerWaalsContact O-CD1 3.31Å; I93-W95 PolarHBondContact O-N 3.16Å; I93-L231 HydrophobicContact CG2-CD1 4.3Å; I93-F262 HydrophobicContact CD1-CE1 4.39Å; I93-F262 HydrophobicContact CD1-CZ 3.85Å; I93-V317 CarbonylContact C-O 3.52Å; I93-V317 VanDerWaalsContact CA-O 3.25Å; I93-V317 WeakPolarHBondContact CA-O 3.25Å; I93-V317 HydrophobicContact CG1-CB 4.28Å; I93-V317 HydrophobicContact CG2-CB 4.33Å; I93-V317 HydrophobicContact CG2-CG1 4.25Å
94	V	98.6	Very high	96.9	Very high	7 Å²	7	47 Å²	47	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	109.8	-168.9	-172.6	0	0	0	0	110.3	F99 E222 K316 V317 L318 S319 Y322	V94-F99 HydrophobicContact CG1-CD1 4.09Å; V94-F99 HydrophobicContact CG1-CE1 4.04Å; V94-E222 HydrophobicContact CG1-CB 4.35Å; V94-E222 HydrophobicContact CG1-CG 3.8Å; V94-K316 HydrophobicContact CG2-CB 4.36Å; V94-K316 HydrophobicContact CG2-CD 4.1Å; V94-V317 PolarHBondContact N-O 2.72Å; V94-L318 HydrophobicContact CB-CD2 3.93Å; V94-L318 HydrophobicContact CG2-CD2 3.76Å; V94-S319 WeakPolarHBondContact O-CB 3.26Å; V94-S319 PolarHBondContact O-N 3.35Å; V94-S319 VanDerWaalsContact O-N 3.14Å; V94-S319 PolarHBondContact O-OG 3.44Å; V94-Y322 HydrophobicContact CB-CE2 4.23Å; V94-Y322 HydrophobicContact CG1-CE2 3.78Å
95	W	98.4	Very high	97	Very high	8 Å²	8	44 Å²	44	3%	0.03	24%	0.244	C	C	.	.			trans	-128.8	156.4	176.1	-65.6	92.5	0	0	0	110.3	R80 V83 L84 I93 G97 T98 E321 V334 L335	R80-W95 HydrophobicContact CG-CB 4.5Å; V83-W95 HydrophobicContact CB-CD2 4.24Å; V83-W95 HydrophobicContact CB-CH2 4.38Å; V83-W95 HydrophobicContact CB-CZ2 3.83Å; V83-W95 HydrophobicContact CG1-CD2 4.24Å; V83-W95 HydrophobicContact CG1-CE3 4.26Å; V83-W95 HydrophobicContact CG1-CH2 3.74Å; V83-W95 HydrophobicContact CG1-CZ2 3.7Å; V83-W95 HydrophobicContact CG1-CZ3 4Å; V83-W95 HydrophobicContact CG2-CD2 3.77Å; V83-W95 HydrophobicContact CG2-CE3 4.42Å; V83-W95 HydrophobicContact CG2-CG 3.84Å; V83-W95 HydrophobicContact CG2-CZ2 4.28Å; L84-W95 PolarHBondContact O-NE1 3.45Å; I93-W95 VanDerWaalsContact O-CD1 3.31Å; I93-W95 PolarHBondContact O-N 3.16Å; W95-G97 PolarHBondContact O-N 3.29Å; W95-T98 HydrophobicContact CB-CG2 3.91Å; W95-T98 PolarHBondContact N-OG1 3.23Å; W95-T98 PolarHBondContact O-N 2.98Å; W95-T98 PolarHBondContact O-OG1 3.38Å; W95-E321 HydrophobicContact CE3-CG 4.11Å; W95-E321 HydrophobicContact CZ3-CG 4.46Å; W95-V334 HydrophobicContact CH2-CG2 4.36Å; W95-V334 HydrophobicContact CZ3-CG2 4.21Å; W95-L335 HydrophobicContact CZ3-CD2 3.9Å
96	E	97.8	Very high	97	Very high	53 Å²	53	43.9 Å²	43.9	25%	0.248	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	128.3	172.9	-175.8	60.3	-169.1	0	0	111.5	R80 E321 R336 K337 R339	R80-E96 PolarHBondContact NH1-O 3.12Å; E96-E321 WeakPolarHBondContact CB-OE2 3.33Å; E96-E321 PolarHBondContact N-OE1 3.01Å; E96-E321 PolarHBondContact N-OE2 3.05Å; E96-R336 HydrophobicContact CB-CB 3.83Å; E96-R336 HydrophobicContact CB-CG 4.45Å; E96-R336 HydrophobicContact CG-CB 3.89Å; E96-K337 HydrophobicContact CB-CD 4.49Å; E96-K337 HydrophobicContact CG-CD 4.06Å; E96-K337 HydrophobicContact CG-CG 4.28Å; E96-K337 WeakPolarHBondContact OE1-CE 3.45Å; E96-K337 WeakPolarHBondContact OE2-CD 3.47Å; E96-K337 WeakPolarHBondContact OE2-CE 3.3Å; E96-R339 IonicContact OE2-CZ 2.94Å; E96-R339 IonicContact OE2-NH1 2.72Å; E96-R339 IonicContact OE2-NH2 3.75Å; E96-R339 PolarHBondContact OE2-NH2 3.23Å
97	G	92.7	Very high	96.9	Very high	15 Å²	15	44.6 Å²	44.6	16%	0.155	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-6.9	-176.5	0	0	0	0	0	115.6	C78 W95	C78-G97 PolarHBondContact N-O 3.41Å; W95-G97 PolarHBondContact O-N 3.29Å
98	T	94.3	Very high	96.8	Very high	48 Å²	48	45.3 Å²	45.3	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-87.3	-7.1	177.5	68.5	0	0	0	0	114.1	R80 V85 W95	R80-T98 HydrophobicContact CG-CG2 4.06Å; V85-T98 HydrophobicContact CB-CG2 4.16Å; V85-T98 HydrophobicContact CG1-CG2 3.69Å; W95-T98 HydrophobicContact CB-CG2 3.91Å; W95-T98 PolarHBondContact N-OG1 3.23Å; W95-T98 PolarHBondContact O-N 2.98Å; W95-T98 PolarHBondContact O-OG1 3.38Å
99	F	94.6	Very high	96.7	Very high	38 Å²	38	45.2 Å²	45.2	17%	0.167	23%	0.228	C	C	.	.			trans	-134.9	157	-178	59	-85.9	0	0	0	111.6	V94 I101 L104 E222	V94-F99 HydrophobicContact CG1-CD1 4.09Å; V94-F99 HydrophobicContact CG1-CE1 4.04Å; F99-I101 HydrophobicContact CD2-CB 4.2Å; F99-I101 HydrophobicContact CD2-CD1 4.48Å; F99-I101 HydrophobicContact CE2-CB 4.12Å; F99-I101 HydrophobicContact CE2-CD1 4.29Å; F99-L104 HydrophobicContact CB-CD1 3.83Å; F99-L104 HydrophobicContact CD2-CD1 4.13Å; F99-L104 HydrophobicContact CG-CD1 4.31Å; F99-E222 HydrophobicContact CB-CB 4.5Å; F99-E222 HydrophobicContact CD1-CB 4.19Å; F99-E222 HydrophobicContact CD1-CG 4.19Å; F99-E222 HydrophobicContact CD2-CB 3.8Å; F99-E222 HydrophobicContact CD2-CG 4.15Å; F99-E222 HydrophobicContact CE1-CB 4.36Å; F99-E222 HydrophobicContact CE1-CG 3.88Å; F99-E222 HydrophobicContact CE2-CB 3.99Å; F99-E222 HydrophobicContact CE2-CG 3.83Å; F99-E222 HydrophobicContact CG-CB 3.91Å; F99-E222 HydrophobicContact CG-CG 4.33Å; F99-E222 HydrophobicContact CZ-CB 4.28Å; F99-E222 HydrophobicContact CZ-CG 3.7Å
100	N	95.4	Very high	96.6	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.128	23%	0.233	C	C	.	.			trans	-106.6	114.3	164.4	179.1	-40.9	0	0	0	107.4	V77 D102 I103 L104	V77-N100 HydrophobicContact CG2-CB 4.18Å; N100-D102 VanDerWaalsContact C-N 3.33Å; N100-D102 PolarHBondContact O-N 3.06Å; N100-D102 WeakPolarHBondContact OD1-CB 3.49Å; N100-D102 PolarHBondContact OD1-N 3.49Å; N100-I103 HydrophobicContact CB-CD1 3.98Å; N100-I103 HydrophobicContact CB-CG1 4.19Å; N100-I103 PolarHBondContact OD1-N 3.17Å; N100-L104 WeakPolarHBondContact O-CG 3.42Å; N100-L104 PolarHBondContact O-N 3.49Å
101	I	96.6	Very high	96.4	Very high	44 Å²	44	42.8 Å²	42.8	23%	0.226	22%	0.217	C	C	.	.	H	α-helix	trans	-70.4	-28.2	-173	-167.7	53.2	0	0	0	112.9	F99 L104 N105 H218 V221 E222	F99-I101 HydrophobicContact CD2-CB 4.2Å; F99-I101 HydrophobicContact CD2-CD1 4.48Å; F99-I101 HydrophobicContact CE2-CB 4.12Å; F99-I101 HydrophobicContact CE2-CD1 4.29Å; I101-L104 PolarHBondContact O-N 3.39Å; I101-N105 WeakPolarHBondContact O-CB 3.48Å; I101-N105 PolarHBondContact O-N 3.49Å; I101-N105 PolarHBondContact O-ND2 2.89Å; I101-H218 WeakPolarHBondContact CD1-NE2 3.44Å; I101-V221 HydrophobicContact CD1-CG2 4.26Å; I101-E222 WeakPolarHBondContact CD1-OE2 3.48Å
102	D	96.4	Very high	96.4	Very high	93 Å²	93	47.7 Å²	47.7	50%	0.497	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-44.5	179.5	-55	-44.3	0	0	0	110.8	M59 N100 L104 N105 E106	M59-D102 HydrophobicContact CE-CB 3.81Å; N100-D102 VanDerWaalsContact C-N 3.33Å; N100-D102 PolarHBondContact O-N 3.06Å; N100-D102 WeakPolarHBondContact OD1-CB 3.49Å; N100-D102 PolarHBondContact OD1-N 3.49Å; D102-L104 PolarHBondContact O-N 3.38Å; D102-N105 PolarHBondContact O-N 3.14Å; D102-E106 PolarHBondContact O-N 3.49Å
103	I	95.8	Very high	96.4	Very high	34 Å²	34	45 Å²	45	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-45.9	178.4	-60.1	178.1	0	0	0	110.1	L56 M59 Y61 N100 E106 Q107	L56-I103 HydrophobicContact CD1-CG2 4.45Å; M59-I103 HydrophobicContact CE-CG1 4.16Å; M59-I103 HydrophobicContact SD-CG1 4.21Å; Y61-I103 HydrophobicContact CD1-CD1 3.85Å; Y61-I103 HydrophobicContact CD1-CG1 4.09Å; Y61-I103 HydrophobicContact CD2-CD1 4.21Å; Y61-I103 HydrophobicContact CE1-CD1 3.64Å; Y61-I103 HydrophobicContact CE1-CG1 4.05Å; Y61-I103 HydrophobicContact CE2-CD1 4.02Å; Y61-I103 HydrophobicContact CG-CD1 4.14Å; N100-I103 HydrophobicContact CB-CD1 3.98Å; N100-I103 HydrophobicContact CB-CG1 4.19Å; N100-I103 PolarHBondContact OD1-N 3.17Å; I103-E106 PolarHBondContact O-N 2.97Å; I103-Q107 WeakPolarHBondContact O-CG 2.94Å; I103-Q107 PolarHBondContact O-N 3.33Å
104	L	97	Very high	96.4	Very high	29 Å²	29	45.6 Å²	45.6	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-42.2	177.9	-63.6	171.5	0	0	0	111.4	F99 N100 I101 D102 E106 Q107 F108 V221 E222	F99-L104 HydrophobicContact CB-CD1 3.83Å; F99-L104 HydrophobicContact CD2-CD1 4.13Å; F99-L104 HydrophobicContact CG-CD1 4.31Å; N100-L104 WeakPolarHBondContact O-CG 3.42Å; N100-L104 PolarHBondContact O-N 3.49Å; I101-L104 PolarHBondContact O-N 3.39Å; D102-L104 PolarHBondContact O-N 3.38Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 2.97Å; L104-Q107 PolarHBondContact O-N 2.92Å; L104-F108 WeakPolarHBondContact O-CD2 3.05Å; L104-F108 PolarHBondContact O-N 3.5Å; L104-V221 HydrophobicContact CB-CG2 3.86Å; L104-E222 HydrophobicContact CD1-CB 3.65Å
105	N	97.8	Very high	96.4	Very high	31 Å²	31	45.2 Å²	45.2	17%	0.166	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-39.9	177.2	-84.4	-23.3	0	0	0	112.2	I101 D102 R109 H144 V221	I101-N105 WeakPolarHBondContact O-CB 3.48Å; I101-N105 PolarHBondContact O-N 3.49Å; I101-N105 PolarHBondContact O-ND2 2.89Å; D102-N105 PolarHBondContact O-N 3.14Å; N105-R109 WeakPolarHBondContact O-CB 3.47Å; N105-R109 VanDerWaalsContact O-CG 3.25Å; N105-R109 WeakPolarHBondContact O-CG 3.3Å; N105-R109 PolarHBondContact O-N 3.05Å; N105-R109 PolarHBondContact O-NE 3.28Å; N105-H144 PolarHBondContact OD1-NE2 2.71Å; N105-V221 WeakPolarHBondContact OD1-CG2 3.41Å
106	E	96.8	Very high	96.4	Very high	42 Å²	42	44.9 Å²	44.9	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-49.9	171.5	-72.4	-61.4	150.4	0	0	111.1	L56 P57 M59 D102 I103 L104 F108 R109 L110	L56-E106 HydrophobicContact CD2-CB 3.62Å; P57-E106 HydrophobicContact CG-CG 4.27Å; M59-E106 HydrophobicContact CE-CG 3.88Å; M59-E106 HydrophobicContact SD-CB 4.47Å; M59-E106 HydrophobicContact SD-CG 4.04Å; D102-E106 PolarHBondContact O-N 3.49Å; I103-E106 PolarHBondContact O-N 2.97Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 2.97Å; E106-F108 VanDerWaalsContact C-N 3.35Å; E106-F108 PolarHBondContact O-N 3.25Å; E106-R109 PolarHBondContact O-N 3.37Å; E106-R109 IonicContact OE1-CZ 3.58Å; E106-R109 IonicContact OE1-NH1 3.84Å; E106-R109 PolarHBondContact OE1-NH1 2.9Å; E106-R109 IonicContact OE1-NH2 2.68Å; E106-R109 PolarHBondContact OE1-NH2 3.33Å; E106-R109 IonicContact OE2-NH2 3.74Å; E106-L110 WeakPolarHBondContact O-CB 3.44Å; E106-L110 VanDerWaalsContact O-CG 3.25Å; E106-L110 WeakPolarHBondContact O-CG 3.36Å; E106-L110 PolarHBondContact O-N 2.93Å
107	Q	95.2	Very high	96.5	Very high	78 Å²	78	42.3 Å²	42.3	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-53.9	-45.2	-179.4	-74.7	176	-17.2	0	0	113.7	L56 I103 L104 Q111	L56-Q107 HydrophobicContact CD1-CG 4.2Å; L56-Q107 HydrophobicContact CD2-CG 3.88Å; L56-Q107 HydrophobicContact CG-CG 4.5Å; I103-Q107 WeakPolarHBondContact O-CG 2.94Å; I103-Q107 PolarHBondContact O-N 3.33Å; L104-Q107 PolarHBondContact O-N 2.92Å; Q107-Q111 PolarHBondContact O-NE2 3.46Å
108	F	97	Very high	96.8	Very high	18 Å²	18	41.7 Å²	41.7	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-82.8	-29.7	-179.3	-74.3	-83.8	0	0	0	113.2	L104 E106 Q111 N112 T113 Y205 V221 L224	L104-F108 WeakPolarHBondContact O-CD2 3.05Å; L104-F108 PolarHBondContact O-N 3.5Å; E106-F108 VanDerWaalsContact C-N 3.35Å; E106-F108 PolarHBondContact O-N 3.25Å; F108-Q111 PolarHBondContact O-N 3Å; F108-N112 PolarHBondContact O-N 2.91Å; F108-T113 HydrophobicContact CD1-CG2 4.12Å; F108-T113 PolarHBondContact O-N 2.91Å; F108-T113 PolarHBondContact O-OG1 3.34Å; F108-Y205 HydrophobicContact CE1-CE2 4.06Å; F108-V221 HydrophobicContact CB-CB 4.17Å; F108-V221 HydrophobicContact CB-CG1 3.94Å; F108-V221 HydrophobicContact CB-CG2 4.42Å; F108-V221 HydrophobicContact CD2-CB 3.59Å; F108-V221 HydrophobicContact CD2-CG1 4.29Å; F108-V221 HydrophobicContact CD2-CG2 3.82Å; F108-V221 HydrophobicContact CE2-CB 4.12Å; F108-V221 HydrophobicContact CG-CB 3.92Å; F108-V221 HydrophobicContact CG-CG1 4.11Å; F108-V221 HydrophobicContact CG-CG2 4.4Å; F108-L224 HydrophobicContact CD1-CD1 3.99Å; F108-L224 HydrophobicContact CE1-CB 3.81Å; F108-L224 HydrophobicContact CE1-CD1 4Å; F108-L224 HydrophobicContact CZ-CB 3.78Å
109	R	95.8	Very high	97	Very high	113 Å²	113	39.4 Å²	39.4	43%	0.426	19%	0.192	S	C	.	.	H	α-helix	trans	-67.6	-38.1	172.2	-80.6	-178.6	-69.3	138	-2.3	112.6	N105 E106 Q111 N112	N105-R109 WeakPolarHBondContact O-CB 3.47Å; N105-R109 VanDerWaalsContact O-CG 3.25Å; N105-R109 WeakPolarHBondContact O-CG 3.3Å; N105-R109 PolarHBondContact O-N 3.05Å; N105-R109 PolarHBondContact O-NE 3.28Å; E106-R109 PolarHBondContact O-N 3.37Å; E106-R109 IonicContact OE1-CZ 3.58Å; E106-R109 IonicContact OE1-NH1 3.84Å; E106-R109 PolarHBondContact OE1-NH1 2.9Å; E106-R109 IonicContact OE1-NH2 2.68Å; E106-R109 PolarHBondContact OE1-NH2 3.33Å; E106-R109 IonicContact OE2-NH2 3.74Å; R109-Q111 PolarHBondContact O-N 3.27Å; R109-N112 WeakPolarHBondContact O-CA 3.38Å; R109-N112 PolarHBondContact O-N 3.47Å
110	L	95.7	Very high	97.2	Very high	64 Å²	64	38.4 Å²	38.4	34%	0.335	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22	176.3	-66.5	173.1	0	0	0	113	V54 L56 E106	V54-L110 HydrophobicContact CB-CB 4.25Å; V54-L110 HydrophobicContact CB-CD1 4.37Å; V54-L110 HydrophobicContact CG1-CB 4.13Å; V54-L110 HydrophobicContact CG1-CD1 3.96Å; V54-L110 HydrophobicContact CG1-CD2 3.94Å; V54-L110 HydrophobicContact CG1-CG 4.22Å; L56-L110 HydrophobicContact CD2-CD1 3.92Å; E106-L110 WeakPolarHBondContact O-CB 3.44Å; E106-L110 VanDerWaalsContact O-CG 3.25Å; E106-L110 WeakPolarHBondContact O-CG 3.36Å; E106-L110 PolarHBondContact O-N 2.93Å
111	Q	95.1	Very high	97.3	Very high	92 Å²	92	37.3 Å²	37.3	43%	0.43	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1	171.7	-71	170.3	80.6	0	0	112.9	Q107 F108 R109 T113	Q107-Q111 PolarHBondContact O-NE2 3.46Å; F108-Q111 PolarHBondContact O-N 3Å; R109-Q111 PolarHBondContact O-N 3.27Å; Q111-T113 PolarHBondContact O-N 3Å
112	N	96.9	Very high	97.4	Very high	108 Å²	108	35.6 Å²	35.6	58%	0.578	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.7	-175.2	-170.8	46	0	0	0	113.5	F108 R109 T114 R145	F108-N112 PolarHBondContact O-N 2.91Å; R109-N112 WeakPolarHBondContact O-CA 3.38Å; R109-N112 PolarHBondContact O-N 3.47Å; N112-T114 PolarHBondContact O-N 2.65Å; N112-R145 VanDerWaalsContact OD1-CD 3.26Å; N112-R145 WeakPolarHBondContact OD1-CD 3.31Å
113	T	98.1	Very high	97.4	Very high	4 Å²	4	34 Å²	34	3%	0.025	16%	0.162	C	C	.	.			trans	-58.3	133.2	-170.4	-56	0	0	0	0	112.9	F108 Q111 I115 D204 Y205 L224	F108-T113 HydrophobicContact CD1-CG2 4.12Å; F108-T113 PolarHBondContact O-N 2.91Å; F108-T113 PolarHBondContact O-OG1 3.34Å; Q111-T113 PolarHBondContact O-N 3Å; T113-I115 HydrophobicContact CG2-CD1 4.05Å; T113-I115 HydrophobicContact CG2-CG1 4.35Å; T113-D204 WeakPolarHBondContact CA-OD2 3.44Å; T113-D204 HydrophobicContact CG2-CB 4.28Å; T113-Y205 HydrophobicContact CG2-CD2 3.65Å; T113-Y205 HydrophobicContact CG2-CE2 3.86Å; T113-L224 HydrophobicContact CG2-CD1 4.13Å
114	T	98.8	Very high	97.5	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.086	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.5	174.4	-50.3	0	0	0	0	110.2	N112 R145 V203 D204	N112-T114 PolarHBondContact O-N 2.65Å; T114-R145 WeakPolarHBondContact CA-O 3.25Å; T114-R145 HydrophobicContact CG2-CB 3.86Å; T114-R145 WeakPolarHBondContact OG1-CD 3.36Å; T114-R145 PolarHBondContact OG1-NE 3.32Å; T114-V203 HydrophobicContact CG2-CG1 3.99Å; T114-D204 PolarHBondContact N-OD2 3Å; T114-D204 PolarHBondContact O-N 3.5Å
115	I	98.9	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.5	-175.6	-54.5	84.4	0	0	0	110	T113 F140 M141 H144 R145 V146 H147 V207 L224	T113-I115 HydrophobicContact CG2-CD1 4.05Å; T113-I115 HydrophobicContact CG2-CG1 4.35Å; I115-F140 HydrophobicContact CG2-CE1 4.2Å; I115-F140 HydrophobicContact CG2-CZ 3.83Å; I115-M141 HydrophobicContact CB-CG 4.27Å; I115-M141 HydrophobicContact CD1-CB 4.38Å; I115-M141 HydrophobicContact CD1-CG 4.27Å; I115-M141 HydrophobicContact CD1-SD 4.16Å; I115-M141 HydrophobicContact CG1-CE 4.46Å; I115-M141 HydrophobicContact CG1-CG 4.14Å; I115-M141 HydrophobicContact CG1-SD 4.02Å; I115-M141 HydrophobicContact CG2-CE 4.34Å; I115-M141 HydrophobicContact CG2-CG 4.27Å; I115-H144 HydrophobicContact CD1-CB 3.87Å; I115-R145 PolarHBondContact N-O 3.09Å; I115-V146 WeakPolarHBondContact O-CA 3.1Å; I115-H147 PolarHBondContact O-N 3.13Å; I115-V207 HydrophobicContact CG2-CG2 3.95Å; I115-L224 HydrophobicContact CD1-CD1 4.22Å; I115-L224 HydrophobicContact CG1-CD1 3.77Å; I115-L224 HydrophobicContact CG1-CD2 4.18Å; I115-L224 HydrophobicContact CG2-CD2 4.34Å
116	G	98.9	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.8	168.9	0	0	0	0	0	111.6	H147 Y205 L206 V207	G116-H147 CarbonylContact C-O 3.47Å; G116-H147 VanDerWaalsContact CA-O 3.29Å; G116-H147 WeakPolarHBondContact CA-O 3.33Å; G116-Y205 PolarHBondContact N-O 2.87Å; G116-L206 CarbonylContact O-C 3.47Å; G116-L206 WeakPolarHBondContact O-CA 3.49Å; G116-V207 PolarHBondContact O-N 3.44Å
117	L	98.9	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	106.6	171	-174.6	64.6	0	0	0	109.3	F132 F140 H147 Y148 Y149 V207 V209 F215	L117-F132 HydrophobicContact CD2-CE1 3.92Å; L117-F132 HydrophobicContact CD2-CZ 3.8Å; L117-F132 HydrophobicContact CG-CZ 4.32Å; L117-F140 HydrophobicContact CB-CE1 3.84Å; L117-F140 HydrophobicContact CB-CZ 4.09Å; L117-F140 HydrophobicContact CD1-CE1 4.31Å; L117-F140 HydrophobicContact CD1-CE2 4.06Å; L117-F140 HydrophobicContact CD1-CZ 3.85Å; L117-F140 HydrophobicContact CD2-CD1 4Å; L117-F140 HydrophobicContact CD2-CE1 4.03Å; L117-F140 HydrophobicContact CD2-CG 4.28Å; L117-F140 HydrophobicContact CD2-CZ 4.33Å; L117-F140 HydrophobicContact CG-CE1 4.28Å; L117-F140 HydrophobicContact CG-CZ 4.32Å; L117-H147 PolarHBondContact N-O 3.41Å; L117-Y148 HydrophobicContact CB-CD1 4.03Å; L117-Y148 HydrophobicContact CB-CE1 4.47Å; L117-Y148 HydrophobicContact CD2-CD1 3.81Å; L117-Y148 HydrophobicContact CD2-CE1 3.69Å; L117-Y148 HydrophobicContact CG-CD1 4.38Å; L117-Y149 PolarHBondContact O-N 3.42Å; L117-V207 WeakPolarHBondContact CA-O 3.29Å; L117-V207 HydrophobicContact CD1-CB 3.78Å; L117-V207 HydrophobicContact CD1-CG1 3.59Å; L117-V209 HydrophobicContact CD1-CG1 4.47Å; L117-V209 HydrophobicContact CD1-CG2 3.72Å; L117-V209 HydrophobicContact CG-CG2 4.38Å; L117-F215 HydrophobicContact CD2-CZ 4.35Å
118	T	98.9	Very high	97.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.7	177.7	66.8	0	0	0	0	110.5	Y149 F151 F199 L206 V207 C208 V209	T118-Y149 HydrophobicContact CG2-CD2 4.21Å; T118-F151 HydrophobicContact CG2-CE2 4.12Å; T118-F199 HydrophobicContact CG2-CE1 4.48Å; T118-F199 HydrophobicContact CG2-CE2 4Å; T118-F199 HydrophobicContact CG2-CZ 3.74Å; T118-L206 HydrophobicContact CG2-CD2 3.87Å; T118-V207 PolarHBondContact N-O 2.84Å; T118-V207 PolarHBondContact OG1-O 3.1Å; T118-C208 WeakPolarHBondContact OG1-CA 3.36Å; T118-C208 PolarHBondContact OG1-SG 2.86Å; T118-V209 PolarHBondContact O-N 3.04Å
119	V	98.8	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.1	-179.5	63.9	0	0	0	0	110.4	L129 F132 Y149 V150 F151 V211	V119-L129 HydrophobicContact CG1-CD2 4.42Å; V119-F132 HydrophobicContact CB-CE1 3.93Å; V119-F132 HydrophobicContact CB-CZ 3.9Å; V119-F132 HydrophobicContact CG1-CD1 4.46Å; V119-F132 HydrophobicContact CG1-CE1 3.87Å; V119-F132 HydrophobicContact CG1-CZ 4.37Å; V119-F132 HydrophobicContact CG2-CD1 4.27Å; V119-F132 HydrophobicContact CG2-CD2 4.45Å; V119-F132 HydrophobicContact CG2-CE1 3.87Å; V119-F132 HydrophobicContact CG2-CE2 4.04Å; V119-F132 HydrophobicContact CG2-CZ 3.74Å; V119-Y149 PolarHBondContact N-O 2.9Å; V119-V150 HydrophobicContact CG1-CG2 3.94Å; V119-F151 PolarHBondContact O-N 3.43Å; V119-V211 HydrophobicContact CG2-CB 3.4Å; V119-V211 VanDerWaalsContact CG2-CB 3.4Å; V119-V211 HydrophobicContact CG2-CG2 3.54Å
120	F	98.7	Very high	98	Very high	18 Å²	18	34.6 Å²	34.6	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.4	-176.2	-74.8	-99.6	0	0	0	111.3	F151 R187 M190 I191 V211	F120-F151 HydrophobicContact CD1-CB 3.34Å; F120-F151 HydrophobicContact CD1-CD1 4.47Å; F120-F151 HydrophobicContact CD1-CD2 4.46Å; F120-F151 AromaticContact CD1-CG 3.9Å; F120-F151 HydrophobicContact CD1-CG 3.9Å; F120-F151 HydrophobicContact CD2-CB 4.35Å; F120-F151 HydrophobicContact CD2-CD2 4.24Å; F120-F151 HydrophobicContact CD2-CG 4.47Å; F120-F151 HydrophobicContact CE1-CB 3.39Å; F120-F151 AromaticContact CE1-CD1 3.64Å; F120-F151 HydrophobicContact CE1-CD1 3.64Å; F120-F151 AromaticContact CE1-CD2 3.98Å; F120-F151 HydrophobicContact CE1-CD2 3.98Å; F120-F151 HydrophobicContact CE1-CE1 4.34Å; F120-F151 AromaticContact CE1-CG 3.41Å; F120-F151 HydrophobicContact CE1-CG 3.41Å; F120-F151 VanDerWaalsContact CE1-CG 3.41Å; F120-F151 HydrophobicContact CE2-CB 4.38Å; F120-F151 AromaticContact CE2-CD2 3.73Å; F120-F151 HydrophobicContact CE2-CD2 3.73Å; F120-F151 HydrophobicContact CE2-CE2 4.1Å; F120-F151 HydrophobicContact CE2-CG 4.05Å; F120-F151 HydrophobicContact CG-CB 3.85Å; F120-F151 HydrophobicContact CG-CG 4.4Å; F120-F151 HydrophobicContact CZ-CB 3.93Å; F120-F151 AromaticContact CZ-CD1 3.77Å; F120-F151 HydrophobicContact CZ-CD1 3.77Å; F120-F151 AromaticContact CZ-CD2 3.58Å; F120-F151 HydrophobicContact CZ-CD2 3.58Å; F120-F151 HydrophobicContact CZ-CE1 4.08Å; F120-F151 AromaticContact CZ-CE2 3.91Å; F120-F151 HydrophobicContact CZ-CE2 3.91Å; F120-F151 AromaticContact CZ-CG 3.49Å; F120-F151 HydrophobicContact CZ-CG 3.49Å; F120-F151 VanDerWaalsContact CZ-CG 3.49Å; F120-F151 HydrophobicContact CZ-CZ 4.13Å; F120-R187 HydrophobicContact CB-CG 4.3Å; F120-R187 HydrophobicContact CD1-CG 3.84Å; F120-R187 HydrophobicContact CD2-CB 4.11Å; F120-R187 HydrophobicContact CD2-CG 3.73Å; F120-R187 HydrophobicContact CE1-CB 4.3Å; F120-R187 HydrophobicContact CE1-CG 4.07Å; F120-R187 HydrophobicContact CE2-CB 3.86Å; F120-R187 HydrophobicContact CE2-CG 3.98Å; F120-R187 HydrophobicContact CG-CB 4.46Å; F120-R187 HydrophobicContact CG-CG 3.67Å; F120-R187 HydrophobicContact CZ-CB 3.96Å; F120-R187 HydrophobicContact CZ-CG 4.15Å; F120-M190 HydrophobicContact CD1-SD 4.48Å; F120-M190 HydrophobicContact CE1-CB 3.96Å; F120-M190 HydrophobicContact CE1-CG 4.46Å; F120-M190 HydrophobicContact CE1-SD 3.68Å; F120-M190 HydrophobicContact CZ-CB 3.94Å; F120-I191 HydrophobicContact CE2-CD1 3.96Å; F120-I191 HydrophobicContact CE2-CG1 3.82Å; F120-I191 HydrophobicContact CZ-CG1 3.99Å; F120-V211 WeakPolarHBondContact O-CG1 3.25Å
121	A	98.2	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	80.5	-177.7	0	0	0	0	0	109.9	V126 L129 F151 T152 V211	A121-V126 HydrophobicContact CB-CG1 4.23Å; A121-V126 WeakPolarHBondContact O-CG1 3.31Å; A121-L129 HydrophobicContact CB-CD1 3.55Å; A121-L129 HydrophobicContact CB-CD2 3.69Å; A121-L129 HydrophobicContact CB-CG 3.54Å; A121-F151 PolarHBondContact N-O 2.7Å; A121-T152 WeakPolarHBondContact O-CA 3.43Å; A121-T152 VanDerWaalsContact O-CB 3.28Å; A121-T152 WeakPolarHBondContact O-CB 3.46Å; A121-T152 PolarHBondContact O-OG1 3.36Å; A121-V211 HydrophobicContact CB-CG2 4.34Å
122	I	97.9	Very high	98.3	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.046	16%	0.158	C	C	.	.			trans	-106.4	136.2	-172.7	-57.6	-67.6	0	0	0	110	K124 Y125 D153 V174 A176 V183	I122-K124 PolarHBondContact O-N 3.02Å; I122-Y125 WeakPolarHBondContact O-CB 3.35Å; I122-Y125 PolarHBondContact O-N 2.91Å; I122-D153 WeakPolarHBondContact CA-OD1 3.31Å; I122-D153 HydrophobicContact CD1-CB 4.33Å; I122-V174 HydrophobicContact CD1-CG2 3.69Å; I122-A176 HydrophobicContact CG2-CB 3.86Å; I122-V183 HydrophobicContact CB-CG1 3.82Å; I122-V183 HydrophobicContact CG1-CG1 4Å; I122-V183 HydrophobicContact CG2-CG1 3.96Å; I122-V183 HydrophobicContact CG2-CG2 3.98Å
123	K	96.4	Very high	98.4	Very high	58 Å²	58	25.1 Å²	25.1	25%	0.252	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	52.8	-129.4	-174.2	-54.8	167	-166.1	165.6	0	111.2	Y125 V126 D153 Q154 A176 Y177 K178	K123-Y125 PolarHBondContact O-N 2.99Å; K123-Y125 VanDerWaalsContact O-N 3.08Å; K123-V126 WeakPolarHBondContact O-CG2 3.35Å; K123-V126 PolarHBondContact O-N 3.29Å; K123-D153 VanDerWaalsContact N-CG 3.31Å; K123-D153 PolarHBondContact N-OD1 2.9Å; K123-D153 PolarHBondContact N-OD2 3.23Å; K123-Q154 VanDerWaalsContact CA-NE2 3.26Å; K123-Q154 PolarHBondContact O-NE2 3.44Å; K123-A176 HydrophobicContact CG-CB 4.33Å; K123-Y177 WeakPolarHBondContact CE-O 3.24Å; K123-Y177 PolarHBondContact NZ-O 3.02Å; K123-K178 PolarHBondContact NZ-O 3.35Å
124	K	97.5	Very high	98.4	Very high	83 Å²	83	28.1 Å²	28.1	36%	0.361	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-61.5	-15.9	-178.5	-64.6	179.9	175	175.9	0	114.1	I122 V126 A127 A349 V350 N352 P353	I122-K124 PolarHBondContact O-N 3.02Å; K124-V126 PolarHBondContact O-N 3.5Å; K124-A127 WeakPolarHBondContact O-CB 3.42Å; K124-A127 PolarHBondContact O-N 3.46Å; K124-A349 WeakPolarHBondContact CD-O 3.29Å; K124-A349 PolarHBondContact NZ-O 3.01Å; K124-V350 HydrophobicContact CB-CG2 4.05Å; K124-N352 VanDerWaalsContact CE-O 3.24Å; K124-N352 WeakPolarHBondContact CE-O 3.19Å; K124-N352 PolarHBondContact NZ-O 2.74Å; K124-P353 VanDerWaalsContact CE-OXT 3.25Å; K124-P353 WeakPolarHBondContact CE-OXT 3.02Å; K124-P353 PolarHBondContact NZ-OXT 3.08Å
125	Y	97.8	Very high	98.4	Very high	33 Å²	33	28 Å²	28	13%	0.129	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-69.4	-12.1	179.9	-77.4	-103.7	0	0	0	113.9	I122 K123 A127 F128 V211 D212 V350 R351	I122-Y125 WeakPolarHBondContact O-CB 3.35Å; I122-Y125 PolarHBondContact O-N 2.91Å; K123-Y125 PolarHBondContact O-N 2.99Å; K123-Y125 VanDerWaalsContact O-N 3.08Å; Y125-A127 PolarHBondContact O-N 3.25Å; Y125-A127 VanDerWaalsContact O-N 3.15Å; Y125-F128 AromaticContact CD1-CD2 3.77Å; Y125-F128 HydrophobicContact CD1-CD2 3.77Å; Y125-F128 AromaticContact CD1-CE2 3.64Å; Y125-F128 HydrophobicContact CD1-CE2 3.64Å; Y125-F128 HydrophobicContact CE1-CE2 4.05Å; Y125-F128 HydrophobicContact CG-CD2 4.23Å; Y125-F128 HydrophobicContact CG-CE2 4.12Å; Y125-F128 WeakPolarHBondContact O-CD2 3.36Å; Y125-F128 PolarHBondContact O-N 2.83Å; Y125-F128 VanDerWaalsContact O-N 3.14Å; Y125-V211 HydrophobicContact CD1-CG1 3.77Å; Y125-V211 HydrophobicContact CG-CG1 4.36Å; Y125-D212 HydrophobicContact CD1-CB 4.23Å; Y125-D212 HydrophobicContact CE1-CB 4.08Å; Y125-V350 HydrophobicContact CD2-CG2 4.11Å; Y125-V350 HydrophobicContact CE2-CG1 4.06Å; Y125-V350 HydrophobicContact CE2-CG2 3.97Å; Y125-R351 HydrophobicContact CE2-CG 4.3Å
126	V	97.9	Very high	98.4	Very high	25 Å²	25	28 Å²	28	15%	0.152	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-56.6	-25.6	168.6	-60.7	0	0	0	0	113.1	A121 K123 K124 F128 L129 Q154 A157	A121-V126 HydrophobicContact CB-CG1 4.23Å; A121-V126 WeakPolarHBondContact O-CG1 3.31Å; K123-V126 WeakPolarHBondContact O-CG2 3.35Å; K123-V126 PolarHBondContact O-N 3.29Å; K124-V126 PolarHBondContact O-N 3.5Å; V126-F128 PolarHBondContact O-N 2.97Å; V126-L129 HydrophobicContact CB-CD1 4.35Å; V126-L129 HydrophobicContact CG1-CD1 4.49Å; V126-L129 WeakPolarHBondContact O-CB 3.22Å; V126-L129 PolarHBondContact O-N 3.37Å; V126-Q154 HydrophobicContact CG1-CB 4.38Å; V126-A157 HydrophobicContact CB-CB 4.12Å; V126-A157 HydrophobicContact CG1-CB 4.2Å; V126-A157 HydrophobicContact CG2-CB 4.01Å
127	A	97.9	Very high	98.4	Very high	82 Å²	82	29.6 Å²	29.6	68%	0.678	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-60.8	-26.5	177.1	0	0	0	0	0	113.9	K124 Y125	K124-A127 WeakPolarHBondContact O-CB 3.42Å; K124-A127 PolarHBondContact O-N 3.46Å; Y125-A127 PolarHBondContact O-N 3.25Å; Y125-A127 VanDerWaalsContact O-N 3.15Å
128	F	98.5	Very high	98.4	Very high	28 Å²	28	36.4 Å²	36.4	12%	0.123	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-83.5	-21.5	-179.5	-57.4	-71.5	0	0	0	113.5	Y125 V126 K130 L131 F132 V211 D212 V343 K345 V350	Y125-F128 AromaticContact CD1-CD2 3.77Å; Y125-F128 HydrophobicContact CD1-CD2 3.77Å; Y125-F128 AromaticContact CD1-CE2 3.64Å; Y125-F128 HydrophobicContact CD1-CE2 3.64Å; Y125-F128 HydrophobicContact CE1-CE2 4.05Å; Y125-F128 HydrophobicContact CG-CD2 4.23Å; Y125-F128 HydrophobicContact CG-CE2 4.12Å; Y125-F128 WeakPolarHBondContact O-CD2 3.36Å; Y125-F128 PolarHBondContact O-N 2.83Å; Y125-F128 VanDerWaalsContact O-N 3.14Å; V126-F128 PolarHBondContact O-N 2.97Å; F128-K130 PolarHBondContact O-N 2.64Å; F128-K130 VanDerWaalsContact O-N 3.11Å; F128-L131 PolarHBondContact O-N 3.12Å; F128-F132 WeakPolarHBondContact O-CB 3.48Å; F128-F132 PolarHBondContact O-N 3.16Å; F128-V211 HydrophobicContact CB-CG1 4.28Å; F128-V211 HydrophobicContact CB-CG2 4.11Å; F128-V211 VanDerWaalsContact CB-O 3.32Å; F128-V211 WeakPolarHBondContact CB-O 3.31Å; F128-V211 HydrophobicContact CD2-CG1 4.22Å; F128-D212 HydrophobicContact CD1-CB 4.09Å; F128-D212 HydrophobicContact CD2-CB 3.7Å; F128-D212 HydrophobicContact CE1-CB 4.07Å; F128-D212 HydrophobicContact CE2-CB 3.67Å; F128-D212 HydrophobicContact CG-CB 3.91Å; F128-D212 HydrophobicContact CZ-CB 3.87Å; F128-V343 HydrophobicContact CD1-CB 4.32Å; F128-V343 HydrophobicContact CD1-CG1 4.06Å; F128-V343 HydrophobicContact CE1-CB 4.37Å; F128-V343 HydrophobicContact CE1-CG1 3.99Å; F128-K345 HydrophobicContact CZ-CB 4.09Å; F128-V350 HydrophobicContact CE2-CG2 3.85Å; F128-V350 HydrophobicContact CZ-CG2 4.14Å
129	L	98.8	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-54.3	-37.8	-172.2	-79.5	172.5	0	0	0	113.7	V119 A121 V126 L133 V150 V158 P159 V211	V119-L129 HydrophobicContact CG1-CD2 4.42Å; A121-L129 HydrophobicContact CB-CD1 3.55Å; A121-L129 HydrophobicContact CB-CD2 3.69Å; A121-L129 HydrophobicContact CB-CG 3.54Å; V126-L129 HydrophobicContact CB-CD1 4.35Å; V126-L129 HydrophobicContact CG1-CD1 4.49Å; V126-L129 WeakPolarHBondContact O-CB 3.22Å; V126-L129 PolarHBondContact O-N 3.37Å; L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.29Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.39Å; L129-L133 PolarHBondContact O-N 3.38Å; L129-V150 HydrophobicContact CD1-CG1 3.9Å; L129-V150 HydrophobicContact CD2-CG1 3.73Å; L129-V150 HydrophobicContact CD2-CG2 4.24Å; L129-V150 HydrophobicContact CG-CG1 4.5Å; L129-V158 HydrophobicContact CD1-CB 4.48Å; L129-V158 HydrophobicContact CD1-CG1 4.41Å; L129-V158 HydrophobicContact CD1-CG2 4.14Å; L129-P159 HydrophobicContact CB-CG 3.82Å; L129-V211 HydrophobicContact CD2-CG2 3.77Å; L129-V211 HydrophobicContact CG-CG2 4.15Å
130	K	98.6	Very high	98.4	Very high	107 Å²	107	38.5 Å²	38.5	47%	0.465	19%	0.19	S	C	.	.	H	α-helix	trans	-64	-51.4	-176.4	-174.1	179.1	-177.9	-67.2	0	110.8	F128 E134 P159	F128-K130 PolarHBondContact O-N 2.64Å; F128-K130 VanDerWaalsContact O-N 3.11Å; K130-E134 VanDerWaalsContact CE-OE1 3.24Å; K130-E134 WeakPolarHBondContact CE-OE1 3.42Å; K130-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 IonicContact NZ-OE1 2.73Å; K130-E134 PolarHBondContact NZ-OE1 2.9Å; K130-E134 IonicContact NZ-OE2 2.8Å; K130-E134 PolarHBondContact NZ-OE2 3.23Å; K130-E134 VanDerWaalsContact O-CB 3.25Å; K130-E134 WeakPolarHBondContact O-CB 3.31Å; K130-E134 VanDerWaalsContact O-CG 3.23Å; K130-E134 WeakPolarHBondContact O-CG 3.23Å; K130-E134 PolarHBondContact O-N 2.82Å; K130-P159 HydrophobicContact CB-CB 4.18Å; K130-P159 HydrophobicContact CB-CG 4.01Å; K130-P159 HydrophobicContact CG-CB 4.46Å
131	L	98.8	Very high	98.4	Very high	65 Å²	65	37.7 Å²	37.7	34%	0.34	19%	0.187	S	C	.	.	H	α-helix	trans	-65.6	-43.4	178.9	-179.4	62.2	0	0	0	111.2	F128 T135 E214 V343	F128-L131 PolarHBondContact O-N 3.12Å; L131-T135 HydrophobicContact CD1-CG2 3.94Å; L131-T135 WeakPolarHBondContact O-CB 3.38Å; L131-T135 WeakPolarHBondContact O-CG2 3.26Å; L131-T135 PolarHBondContact O-N 2.89Å; L131-T135 PolarHBondContact O-OG1 3.01Å; L131-E214 HydrophobicContact CD2-CB 4.04Å; L131-E214 HydrophobicContact CG-CB 3.95Å; L131-V343 HydrophobicContact CD2-CG2 3.85Å
132	F	98.9	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-52.4	177.1	177.4	-86.7	0	0	0	111.8	L117 V119 F128 T135 A136 V209 D210 V211 F215 F340	L117-F132 HydrophobicContact CD2-CE1 3.92Å; L117-F132 HydrophobicContact CD2-CZ 3.8Å; L117-F132 HydrophobicContact CG-CZ 4.32Å; V119-F132 HydrophobicContact CB-CE1 3.93Å; V119-F132 HydrophobicContact CB-CZ 3.9Å; V119-F132 HydrophobicContact CG1-CD1 4.46Å; V119-F132 HydrophobicContact CG1-CE1 3.87Å; V119-F132 HydrophobicContact CG1-CZ 4.37Å; V119-F132 HydrophobicContact CG2-CD1 4.27Å; V119-F132 HydrophobicContact CG2-CD2 4.45Å; V119-F132 HydrophobicContact CG2-CE1 3.87Å; V119-F132 HydrophobicContact CG2-CE2 4.04Å; V119-F132 HydrophobicContact CG2-CZ 3.74Å; F128-F132 WeakPolarHBondContact O-CB 3.48Å; F128-F132 PolarHBondContact O-N 3.16Å; F132-T135 PolarHBondContact O-OG1 2.91Å; F132-T135 VanDerWaalsContact O-OG1 3.11Å; F132-A136 VanDerWaalsContact O-CB 3.28Å; F132-A136 WeakPolarHBondContact O-CB 3.26Å; F132-A136 PolarHBondContact O-N 3.24Å; F132-V209 HydrophobicContact CE2-CG2 3.65Å; F132-V209 HydrophobicContact CZ-CG2 3.51Å; F132-D210 WeakPolarHBondContact CE2-O 3.3Å; F132-V211 HydrophobicContact CB-CG2 4.37Å; F132-V211 HydrophobicContact CG-CG2 4.35Å; F132-F215 HydrophobicContact CD2-CE2 4.28Å; F132-F215 AromaticContact CE2-CE2 3.9Å; F132-F215 HydrophobicContact CE2-CE2 3.9Å; F132-F215 HydrophobicContact CE2-CZ 4.43Å; F132-F215 HydrophobicContact CZ-CE2 4.06Å; F132-F215 HydrophobicContact CZ-CZ 4.48Å; F132-F340 HydrophobicContact CD2-CE2 4.26Å; F132-F340 AromaticContact CE2-CE2 3.91Å; F132-F340 HydrophobicContact CE2-CE2 3.91Å; F132-F340 AromaticContact CE2-CZ 4Å; F132-F340 HydrophobicContact CE2-CZ 4Å
133	L	98.9	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.9	-42.4	-177.9	-68.2	171.1	0	0	0	112.4	L129 T135 A136 E137 Y148 P159 V161 L169	L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.29Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.39Å; L129-L133 PolarHBondContact O-N 3.38Å; L133-T135 PolarHBondContact O-N 3.32Å; L133-A136 PolarHBondContact O-N 3.25Å; L133-E137 PolarHBondContact O-N 2.93Å; L133-Y148 HydrophobicContact CD2-CD1 3.88Å; L133-Y148 HydrophobicContact CD2-CE1 4.19Å; L133-Y148 HydrophobicContact CD2-CG 4.11Å; L133-P159 HydrophobicContact CD1-CG 4.36Å; L133-V161 HydrophobicContact CB-CB 4.31Å; L133-V161 HydrophobicContact CB-CG1 4.23Å; L133-V161 HydrophobicContact CB-CG2 3.94Å; L133-V161 HydrophobicContact CD1-CG2 4.2Å; L133-L169 HydrophobicContact CD1-CD1 3.72Å; L133-L169 HydrophobicContact CD2-CD1 3.91Å; L133-L169 HydrophobicContact CG-CD1 4.49Å
134	E	98.8	Very high	98.5	Very high	67 Å²	67	42 Å²	42	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-25.9	178.6	-74.2	177.3	158.6	0	0	113.3	K130 K138 V161	K130-E134 VanDerWaalsContact CE-OE1 3.24Å; K130-E134 WeakPolarHBondContact CE-OE1 3.42Å; K130-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 IonicContact NZ-OE1 2.73Å; K130-E134 PolarHBondContact NZ-OE1 2.9Å; K130-E134 IonicContact NZ-OE2 2.8Å; K130-E134 PolarHBondContact NZ-OE2 3.23Å; K130-E134 VanDerWaalsContact O-CB 3.25Å; K130-E134 WeakPolarHBondContact O-CB 3.31Å; K130-E134 VanDerWaalsContact O-CG 3.23Å; K130-E134 WeakPolarHBondContact O-CG 3.23Å; K130-E134 PolarHBondContact O-N 2.82Å; E134-K138 WeakPolarHBondContact O-CE 3.44Å; E134-V161 HydrophobicContact CG-CG1 3.85Å; E134-V161 HydrophobicContact CG-CG2 4.22Å
135	T	98.9	Very high	98.6	Very high	11 Å²	11	43 Å²	43	7%	0.067	23%	0.232	C	C	.	.	H	α-helix	trans	-87.2	-35.4	172.9	55.5	0	0	0	0	112.3	L131 F132 L133 E137 K138 H139 E214 F215	L131-T135 HydrophobicContact CD1-CG2 3.94Å; L131-T135 WeakPolarHBondContact O-CB 3.38Å; L131-T135 WeakPolarHBondContact O-CG2 3.26Å; L131-T135 PolarHBondContact O-N 2.89Å; L131-T135 PolarHBondContact O-OG1 3.01Å; F132-T135 PolarHBondContact O-OG1 2.91Å; F132-T135 VanDerWaalsContact O-OG1 3.11Å; L133-T135 PolarHBondContact O-N 3.32Å; T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 2.76Å; T135-K138 PolarHBondContact O-N 2.91Å; T135-H139 PolarHBondContact O-CD2 3.44Å; T135-H139 PolarHBondContact O-N 3.1Å; T135-E214 HydrophobicContact CG2-CB 4.32Å; T135-F215 WeakPolarHBondContact CB-O 3.48Å; T135-F215 WeakPolarHBondContact CG2-O 3.39Å; T135-F215 PolarHBondContact OG1-N 3.32Å
136	A	98.9	Very high	98.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-40.9	172.3	0	0	0	0	0	112	F132 L133 K138 H139 F140 Y148 F215	F132-A136 VanDerWaalsContact O-CB 3.28Å; F132-A136 WeakPolarHBondContact O-CB 3.26Å; F132-A136 PolarHBondContact O-N 3.24Å; L133-A136 PolarHBondContact O-N 3.25Å; A136-K138 PolarHBondContact O-N 2.76Å; A136-H139 PolarHBondContact O-N 2.53Å; A136-F140 HydrophobicContact CB-CB 4.12Å; A136-F140 VanDerWaalsContact O-CB 3.3Å; A136-F140 WeakPolarHBondContact O-CB 3.49Å; A136-F140 PolarHBondContact O-N 3.43Å; A136-Y148 HydrophobicContact CB-CE1 3.84Å; A136-F215 HydrophobicContact CB-CD2 3.81Å; A136-F215 HydrophobicContact CB-CE2 3.67Å; A136-F215 HydrophobicContact CB-CZ 4.47Å
137	E	98.7	Very high	98.7	Very high	34 Å²	34	40.4 Å²	40.4	16%	0.159	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-28	174.9	-77.3	-57.9	106.4	0	0	114.1	L133 T135 Y148 L163 G164 R167	L133-E137 PolarHBondContact O-N 2.93Å; T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 2.76Å; E137-Y148 WeakPolarHBondContact OE1-CE2 3.49Å; E137-Y148 VanDerWaalsContact OE1-CZ 3.23Å; E137-Y148 PolarHBondContact OE1-OH 3.21Å; E137-L163 HydrophobicContact CG-CD2 4.04Å; E137-L163 WeakPolarHBondContact OE2-CA 3.4Å; E137-G164 PolarHBondContact OE2-N 3.47Å; E137-R167 IonicContact OE1-CZ 3.88Å; E137-R167 IonicContact OE1-NE 2.78Å; E137-R167 PolarHBondContact OE1-NE 3.37Å; E137-R167 IonicContact OE1-NH2 3.46Å; E137-R167 PolarHBondContact OE1-NH2 2.83Å; E137-R167 WeakPolarHBondContact OE2-CD 3.45Å; E137-R167 IonicContact OE2-NE 3.38Å; E137-R167 PolarHBondContact OE2-NE 2.96Å
138	K	98.8	Very high	98.7	Very high	143 Å²	143	36.5 Å²	36.5	62%	0.622	19%	0.187	S	C	*	.	H	α-helix	trans	-87.4	-23.9	-179.2	-63.2	172.8	-171.3	172.7	0	113.7	E134 T135 A136	E134-K138 WeakPolarHBondContact O-CE 3.44Å; T135-K138 PolarHBondContact O-N 2.91Å; A136-K138 PolarHBondContact O-N 2.76Å
139	H	98.9	Very high	98.7	Very high	46 Å²	46	35.2 Å²	35.2	21%	0.213	18%	0.181	C	C	.	.	H	α-helix	trans	-136.5	-24.5	-160.9	-64.3	-55.4	0	0	0	115.2	T135 A136 F215 V219	T135-H139 PolarHBondContact O-CD2 3.44Å; T135-H139 PolarHBondContact O-N 3.1Å; A136-H139 PolarHBondContact O-N 2.53Å; H139-F215 HydrophobicContact CB-CB 3.71Å; H139-F215 HydrophobicContact CB-CG 4.47Å; H139-F215 PolarHBondContact CD2-O 2.63Å; H139-V219 PolarHBondContact O-N 3.36Å
140	F	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-93.7	114	-175.7	-178.2	-102.2	0	0	0	111.5	I115 L117 A136 V142 V146 R167 V207 F215 V219	I115-F140 HydrophobicContact CG2-CE1 4.2Å; I115-F140 HydrophobicContact CG2-CZ 3.83Å; L117-F140 HydrophobicContact CB-CE1 3.84Å; L117-F140 HydrophobicContact CB-CZ 4.09Å; L117-F140 HydrophobicContact CD1-CE1 4.31Å; L117-F140 HydrophobicContact CD1-CE2 4.06Å; L117-F140 HydrophobicContact CD1-CZ 3.85Å; L117-F140 HydrophobicContact CD2-CD1 4Å; L117-F140 HydrophobicContact CD2-CE1 4.03Å; L117-F140 HydrophobicContact CD2-CG 4.28Å; L117-F140 HydrophobicContact CD2-CZ 4.33Å; L117-F140 HydrophobicContact CG-CE1 4.28Å; L117-F140 HydrophobicContact CG-CZ 4.32Å; A136-F140 HydrophobicContact CB-CB 4.12Å; A136-F140 VanDerWaalsContact O-CB 3.3Å; A136-F140 WeakPolarHBondContact O-CB 3.49Å; A136-F140 PolarHBondContact O-N 3.43Å; F140-V142 PolarHBondContact O-N 3.31Å; F140-V142 VanDerWaalsContact O-N 3.12Å; F140-V146 HydrophobicContact CD1-CG1 4.19Å; F140-V146 HydrophobicContact CD1-CG2 4.26Å; F140-V146 HydrophobicContact CE1-CG1 4.04Å; F140-V146 HydrophobicContact CE1-CG2 4.19Å; F140-R167 PolarHBondContact O-NH1 2.75Å; F140-R167 VanDerWaalsContact O-NH1 3.13Å; F140-R167 PolarHBondContact O-NH2 2.89Å; F140-V207 HydrophobicContact CE2-CB 4.32Å; F140-V207 HydrophobicContact CE2-CG1 4.15Å; F140-V207 HydrophobicContact CE2-CG2 4.2Å; F140-V207 HydrophobicContact CZ-CB 4.1Å; F140-V207 HydrophobicContact CZ-CG1 4.4Å; F140-V207 HydrophobicContact CZ-CG2 4Å; F140-F215 HydrophobicContact CB-CD1 4.45Å; F140-F215 HydrophobicContact CB-CE1 4.17Å; F140-F215 HydrophobicContact CB-CZ 4.34Å; F140-F215 AromaticContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CZ 4.21Å; F140-F215 HydrophobicContact CG-CE1 4.43Å; F140-F215 HydrophobicContact CG-CZ 4.47Å; F140-V219 CarbonylContact C-O 3.53Å; F140-V219 WeakPolarHBondContact CA-O 3.22Å; F140-V219 HydrophobicContact CD2-CB 4.39Å; F140-V219 HydrophobicContact CD2-CG1 4Å; F140-V219 HydrophobicContact CE2-CG1 4.35Å
141	M	98.8	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	51.6	38.9	172.2	-57.1	-69	172.1	0	0	113.3	I115 G143 H144 V146 R167 V219 G220 V221 I223 L224	I115-M141 HydrophobicContact CB-CG 4.27Å; I115-M141 HydrophobicContact CD1-CB 4.38Å; I115-M141 HydrophobicContact CD1-CG 4.27Å; I115-M141 HydrophobicContact CD1-SD 4.16Å; I115-M141 HydrophobicContact CG1-CE 4.46Å; I115-M141 HydrophobicContact CG1-CG 4.14Å; I115-M141 HydrophobicContact CG1-SD 4.02Å; I115-M141 HydrophobicContact CG2-CE 4.34Å; I115-M141 HydrophobicContact CG2-CG 4.27Å; M141-G143 PolarHBondContact O-N 2.68Å; M141-H144 HydrophobicContact CB-CB 4.42Å; M141-H144 PolarHBondContact O-N 3.39Å; M141-H144 VanDerWaalsContact O-N 3.09Å; M141-V146 HydrophobicContact CB-CG2 3.64Å; M141-V146 HydrophobicContact CG-CG2 4.44Å; M141-R167 PolarHBondContact O-NH1 2.74Å; M141-R167 VanDerWaalsContact O-NH1 3.12Å; M141-V219 PolarHBondContact N-O 2.74Å; M141-G220 VanDerWaalsContact CE-O 3.23Å; M141-G220 WeakPolarHBondContact CE-O 3.47Å; M141-V221 HydrophobicContact SD-CG1 3.89Å; M141-I223 HydrophobicContact CE-CD1 3.64Å; M141-I223 HydrophobicContact CE-CG1 3.68Å; M141-L224 HydrophobicContact CE-CD1 4.41Å; M141-L224 HydrophobicContact CE-CD2 3.73Å; M141-L224 HydrophobicContact CE-CG 3.97Å; M141-L224 HydrophobicContact SD-CD1 4.4Å
142	V	98.5	Very high	98.7	Very high	77 Å²	77	27 Å²	27	47%	0.467	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	133.1	-178.6	-178.9	0	0	0	0	109.7	F140 H144	F140-V142 PolarHBondContact O-N 3.31Å; F140-V142 VanDerWaalsContact O-N 3.12Å; V142-H144 VanDerWaalsContact C-N 3.33Å
143	G	97.4	Very high	98.7	Very high	66 Å²	66	29 Å²	29	68%	0.68	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	-1.1	-174.3	0	0	0	0	0	115.2	M141	M141-G143 PolarHBondContact O-N 2.68Å
144	H	98.6	Very high	98.7	Very high	15 Å²	15	32.4 Å²	32.4	7%	0.069	17%	0.17	C	C	.	.	S	Bend	trans	-115.1	165.2	173.6	-60.3	-93.8	0	0	0	111.3	N105 I115 M141 V142 V221	N105-H144 PolarHBondContact OD1-NE2 2.71Å; I115-H144 HydrophobicContact CD1-CB 3.87Å; M141-H144 HydrophobicContact CB-CB 4.42Å; M141-H144 PolarHBondContact O-N 3.39Å; M141-H144 VanDerWaalsContact O-N 3.09Å; V142-H144 VanDerWaalsContact C-N 3.33Å; H144-V221 VanDerWaalsContact CE1-CG1 3.45Å; H144-V221 WeakPolarHBondContact CE1-CG1 3.41Å; H144-V221 WeakPolarHBondContact NE2-CG1 3.15Å
145	R	98.8	Very high	98.6	Very high	103 Å²	103	31.5 Å²	31.5	39%	0.389	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.3	179.4	-60.5	169.6	53.1	77	5.7	109.6	N112 T114 I115 G166	N112-R145 VanDerWaalsContact OD1-CD 3.26Å; N112-R145 WeakPolarHBondContact OD1-CD 3.31Å; T114-R145 WeakPolarHBondContact CA-O 3.25Å; T114-R145 HydrophobicContact CG2-CB 3.86Å; T114-R145 WeakPolarHBondContact OG1-CD 3.36Å; T114-R145 PolarHBondContact OG1-NE 3.32Å; I115-R145 PolarHBondContact N-O 3.09Å; R145-G166 WeakPolarHBondContact CA-O 3.42Å
146	V	98.9	Very high	98.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.9	-176.9	173.3	0	0	0	0	111.9	I115 F140 M141 Y148 G166 R167 Q168	I115-V146 WeakPolarHBondContact O-CA 3.1Å; F140-V146 HydrophobicContact CD1-CG1 4.19Å; F140-V146 HydrophobicContact CD1-CG2 4.26Å; F140-V146 HydrophobicContact CE1-CG1 4.04Å; F140-V146 HydrophobicContact CE1-CG2 4.19Å; M141-V146 HydrophobicContact CB-CG2 3.64Å; M141-V146 HydrophobicContact CG-CG2 4.44Å; V146-Y148 HydrophobicContact CG1-CD1 4.33Å; V146-Y148 HydrophobicContact CG1-CD2 4.22Å; V146-Y148 HydrophobicContact CG1-CE1 4.08Å; V146-Y148 HydrophobicContact CG1-CE2 3.97Å; V146-Y148 HydrophobicContact CG1-CG 4.41Å; V146-G166 PolarHBondContact N-O 3.08Å; V146-R167 HydrophobicContact CB-CB 4.45Å; V146-R167 HydrophobicContact CB-CG 4.26Å; V146-R167 VanDerWaalsContact CG2-NH1 3.27Å; V146-R167 CarbonylContact O-C 3.12Å; V146-R167 VanDerWaalsContact O-CA 3.28Å; V146-R167 WeakPolarHBondContact O-CA 3.4Å; V146-Q168 PolarHBondContact O-N 2.95Å
147	H	98.9	Very high	98.6	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.014	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111	171.5	-158	149.6	0	0	0	109.8	I115 G116 L117 Y149 Q168 S170 E202 V203	I115-H147 PolarHBondContact O-N 3.13Å; G116-H147 CarbonylContact C-O 3.47Å; G116-H147 VanDerWaalsContact CA-O 3.29Å; G116-H147 WeakPolarHBondContact CA-O 3.33Å; L117-H147 PolarHBondContact N-O 3.41Å; H147-Y149 HydrophobicContact CB-CE2 3.95Å; H147-Y149 AromaticContact CD2-CD1 3.88Å; H147-Y149 AromaticContact CD2-CE1 3.44Å; H147-Y149 VanDerWaalsContact CD2-CE1 3.44Å; H147-Y149 WeakPolarHBondContact CD2-CE1 3.45Å; H147-Y149 AromaticContact CD2-CZ 3.58Å; H147-Y149 AromaticContact CE1-CE1 3.61Å; H147-Y149 AromaticContact CE1-CZ 3.8Å; H147-Y149 AromaticContact CG-CE1 3.83Å; H147-Y149 AromaticContact CG-CE2 3.96Å; H147-Y149 AromaticContact CG-CZ 3.48Å; H147-Y149 VanDerWaalsContact CG-CZ 3.48Å; H147-Y149 AromaticContact ND1-CE1 3.97Å; H147-Y149 AromaticContact ND1-CZ 3.67Å; H147-Y149 PolarHBondContact ND1-OH 3.4Å; H147-Y149 AromaticContact NE2-CD1 3.91Å; H147-Y149 AromaticContact NE2-CE1 3.3Å; H147-Y149 VanDerWaalsContact NE2-CE1 3.3Å; H147-Y149 WeakPolarHBondContact NE2-CE1 3.3Å; H147-Y149 AromaticContact NE2-CZ 3.78Å; H147-Y149 WeakPolarHBondContact O-CD2 3.36Å; H147-Q168 CarbonylContact C-O 3.59Å; H147-Q168 WeakPolarHBondContact CA-O 3.44Å; H147-Q168 HydrophobicContact CB-CG 4.25Å; H147-Q168 PolarHBondContact CE1-NE2 3.37Å; H147-Q168 PolarHBondContact ND1-NE2 2.89Å; H147-S170 PolarHBondContact NE2-OG 3.37Å; H147-E202 IonicContact CE1-OE2 3.83Å; H147-E202 PolarHBondContact CE1-OE2 3.29Å; H147-E202 VanDerWaalsContact CE1-OE2 3.23Å; H147-E202 IonicContact ND1-OE2 2.66Å; H147-V203 HydrophobicContact CB-CG1 3.91Å
148	Y	98.9	Very high	98.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130	173.4	-60.4	-77.9	0	0	0	110.8	L117 L133 A136 E137 V146 L163 R167 Q168 L169 S170	L117-Y148 HydrophobicContact CB-CD1 4.03Å; L117-Y148 HydrophobicContact CB-CE1 4.47Å; L117-Y148 HydrophobicContact CD2-CD1 3.81Å; L117-Y148 HydrophobicContact CD2-CE1 3.69Å; L117-Y148 HydrophobicContact CG-CD1 4.38Å; L133-Y148 HydrophobicContact CD2-CD1 3.88Å; L133-Y148 HydrophobicContact CD2-CE1 4.19Å; L133-Y148 HydrophobicContact CD2-CG 4.11Å; A136-Y148 HydrophobicContact CB-CE1 3.84Å; E137-Y148 WeakPolarHBondContact OE1-CE2 3.49Å; E137-Y148 VanDerWaalsContact OE1-CZ 3.23Å; E137-Y148 PolarHBondContact OE1-OH 3.21Å; V146-Y148 HydrophobicContact CG1-CD1 4.33Å; V146-Y148 HydrophobicContact CG1-CD2 4.22Å; V146-Y148 HydrophobicContact CG1-CE1 4.08Å; V146-Y148 HydrophobicContact CG1-CE2 3.97Å; V146-Y148 HydrophobicContact CG1-CG 4.41Å; Y148-L163 HydrophobicContact CD2-CD1 4.42Å; Y148-L163 HydrophobicContact CD2-CD2 4.32Å; Y148-L163 HydrophobicContact CE2-CD2 3.95Å; Y148-R167 PolarHBondContact OH-NH2 2.74Å; Y148-Q168 WeakPolarHBondContact CD2-O 3.45Å; Y148-Q168 PolarHBondContact N-O 3.34Å; Y148-L169 HydrophobicContact CD2-CB 4.37Å; Y148-L169 HydrophobicContact CG-CD1 4.48Å; Y148-L169 CarbonylContact O-C 3.55Å; Y148-L169 WeakPolarHBondContact O-CA 3.14Å; Y148-S170 PolarHBondContact O-N 3.2Å
149	Y	98.9	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	99	175.1	-60.4	-73.7	0	0	0	109.1	L117 T118 V119 H147 L172 F199 E202 V203 L206	L117-Y149 PolarHBondContact O-N 3.42Å; T118-Y149 HydrophobicContact CG2-CD2 4.21Å; V119-Y149 PolarHBondContact N-O 2.9Å; H147-Y149 HydrophobicContact CB-CE2 3.95Å; H147-Y149 AromaticContact CD2-CD1 3.88Å; H147-Y149 AromaticContact CD2-CE1 3.44Å; H147-Y149 VanDerWaalsContact CD2-CE1 3.44Å; H147-Y149 WeakPolarHBondContact CD2-CE1 3.45Å; H147-Y149 AromaticContact CD2-CZ 3.58Å; H147-Y149 AromaticContact CE1-CE1 3.61Å; H147-Y149 AromaticContact CE1-CZ 3.8Å; H147-Y149 AromaticContact CG-CE1 3.83Å; H147-Y149 AromaticContact CG-CE2 3.96Å; H147-Y149 AromaticContact CG-CZ 3.48Å; H147-Y149 VanDerWaalsContact CG-CZ 3.48Å; H147-Y149 AromaticContact ND1-CE1 3.97Å; H147-Y149 AromaticContact ND1-CZ 3.67Å; H147-Y149 PolarHBondContact ND1-OH 3.4Å; H147-Y149 AromaticContact NE2-CD1 3.91Å; H147-Y149 AromaticContact NE2-CE1 3.3Å; H147-Y149 VanDerWaalsContact NE2-CE1 3.3Å; H147-Y149 WeakPolarHBondContact NE2-CE1 3.3Å; H147-Y149 AromaticContact NE2-CZ 3.78Å; H147-Y149 WeakPolarHBondContact O-CD2 3.36Å; Y149-L172 HydrophobicContact CD1-CD1 4.06Å; Y149-L172 HydrophobicContact CG-CD1 4.41Å; Y149-F199 HydrophobicContact CD1-CD1 4.32Å; Y149-F199 AromaticContact CD1-CE1 3.6Å; Y149-F199 HydrophobicContact CD1-CE1 3.6Å; Y149-F199 HydrophobicContact CD2-CD1 4.01Å; Y149-F199 AromaticContact CD2-CE1 3.52Å; Y149-F199 HydrophobicContact CD2-CE1 3.52Å; Y149-F199 HydrophobicContact CD2-CZ 4.23Å; Y149-F199 AromaticContact CE1-CD1 3.91Å; Y149-F199 HydrophobicContact CE1-CD1 3.91Å; Y149-F199 AromaticContact CE1-CE1 3.66Å; Y149-F199 HydrophobicContact CE1-CE1 3.66Å; Y149-F199 AromaticContact CE2-CD1 3.59Å; Y149-F199 HydrophobicContact CE2-CD1 3.59Å; Y149-F199 AromaticContact CE2-CE1 3.59Å; Y149-F199 HydrophobicContact CE2-CE1 3.59Å; Y149-F199 HydrophobicContact CG-CD1 4.34Å; Y149-F199 AromaticContact CG-CE1 3.5Å; Y149-F199 HydrophobicContact CG-CE1 3.5Å; Y149-F199 HydrophobicContact CG-CZ 4.17Å; Y149-F199 AromaticContact CZ-CD1 3.51Å; Y149-F199 AromaticContact CZ-CE1 3.64Å; Y149-E202 VanDerWaalsContact CE1-OE2 3.23Å; Y149-E202 WeakPolarHBondContact CE1-OE2 3.28Å; Y149-E202 VanDerWaalsContact OH-CB 3.26Å; Y149-E202 WeakPolarHBondContact OH-CB 3.31Å; Y149-E202 PolarHBondContact OH-OE2 3.16Å; Y149-V203 HydrophobicContact CE2-CG1 4.15Å; Y149-L206 HydrophobicContact CE2-CD2 4.49Å
150	V	98.8	Very high	98.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	103.6	-179.5	178.3	0	0	0	0	108.8	V119 L129 V158 L169 S170 L172	V119-V150 HydrophobicContact CG1-CG2 3.94Å; L129-V150 HydrophobicContact CD1-CG1 3.9Å; L129-V150 HydrophobicContact CD2-CG1 3.73Å; L129-V150 HydrophobicContact CD2-CG2 4.24Å; L129-V150 HydrophobicContact CG-CG1 4.5Å; V150-V158 HydrophobicContact CG1-CG1 4.34Å; V150-V158 HydrophobicContact CG1-CG2 3.95Å; V150-L169 HydrophobicContact CG2-CD1 3.89Å; V150-L169 HydrophobicContact CG2-CD2 4.27Å; V150-L169 HydrophobicContact CG2-CG 4.12Å; V150-S170 PolarHBondContact N-O 3.47Å; V150-L172 PolarHBondContact O-N 3.23Å
151	F	98.8	Very high	98.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.5	172.8	-70.3	-96.1	0	0	0	109.7	T118 V119 F120 A121 L172 V174 M190 F194 F199	T118-F151 HydrophobicContact CG2-CE2 4.12Å; V119-F151 PolarHBondContact O-N 3.43Å; F120-F151 HydrophobicContact CD1-CB 3.34Å; F120-F151 HydrophobicContact CD1-CD1 4.47Å; F120-F151 HydrophobicContact CD1-CD2 4.46Å; F120-F151 AromaticContact CD1-CG 3.9Å; F120-F151 HydrophobicContact CD1-CG 3.9Å; F120-F151 HydrophobicContact CD2-CB 4.35Å; F120-F151 HydrophobicContact CD2-CD2 4.24Å; F120-F151 HydrophobicContact CD2-CG 4.47Å; F120-F151 HydrophobicContact CE1-CB 3.39Å; F120-F151 AromaticContact CE1-CD1 3.64Å; F120-F151 HydrophobicContact CE1-CD1 3.64Å; F120-F151 AromaticContact CE1-CD2 3.98Å; F120-F151 HydrophobicContact CE1-CD2 3.98Å; F120-F151 HydrophobicContact CE1-CE1 4.34Å; F120-F151 AromaticContact CE1-CG 3.41Å; F120-F151 HydrophobicContact CE1-CG 3.41Å; F120-F151 VanDerWaalsContact CE1-CG 3.41Å; F120-F151 HydrophobicContact CE2-CB 4.38Å; F120-F151 AromaticContact CE2-CD2 3.73Å; F120-F151 HydrophobicContact CE2-CD2 3.73Å; F120-F151 HydrophobicContact CE2-CE2 4.1Å; F120-F151 HydrophobicContact CE2-CG 4.05Å; F120-F151 HydrophobicContact CG-CB 3.85Å; F120-F151 HydrophobicContact CG-CG 4.4Å; F120-F151 HydrophobicContact CZ-CB 3.93Å; F120-F151 AromaticContact CZ-CD1 3.77Å; F120-F151 HydrophobicContact CZ-CD1 3.77Å; F120-F151 AromaticContact CZ-CD2 3.58Å; F120-F151 HydrophobicContact CZ-CD2 3.58Å; F120-F151 HydrophobicContact CZ-CE1 4.08Å; F120-F151 AromaticContact CZ-CE2 3.91Å; F120-F151 HydrophobicContact CZ-CE2 3.91Å; F120-F151 AromaticContact CZ-CG 3.49Å; F120-F151 HydrophobicContact CZ-CG 3.49Å; F120-F151 VanDerWaalsContact CZ-CG 3.49Å; F120-F151 HydrophobicContact CZ-CZ 4.13Å; A121-F151 PolarHBondContact N-O 2.7Å; F151-L172 WeakPolarHBondContact CA-O 3.33Å; F151-L172 HydrophobicContact CD1-CB 3.97Å; F151-L172 HydrophobicContact CD1-CD1 4.19Å; F151-L172 HydrophobicContact CD2-CD1 4.26Å; F151-L172 HydrophobicContact CE1-CB 4.21Å; F151-L172 HydrophobicContact CE1-CD1 3.72Å; F151-L172 HydrophobicContact CE2-CD1 3.79Å; F151-L172 HydrophobicContact CG-CB 4.33Å; F151-L172 HydrophobicContact CG-CD1 4.45Å; F151-L172 HydrophobicContact CZ-CD1 3.51Å; F151-V174 HydrophobicContact CB-CG2 4.22Å; F151-V174 HydrophobicContact CD1-CG1 3.89Å; F151-V174 HydrophobicContact CD1-CG2 4.49Å; F151-M190 HydrophobicContact CD1-CB 4.43Å; F151-M190 HydrophobicContact CE1-CB 4.13Å; F151-F194 AromaticContact CE1-CD2 3.55Å; F151-F194 HydrophobicContact CE1-CD2 3.55Å; F151-F194 AromaticContact CE1-CE2 3.81Å; F151-F194 HydrophobicContact CE1-CE2 3.81Å; F151-F194 HydrophobicContact CE1-CG 4.05Å; F151-F194 HydrophobicContact CZ-CB 4.14Å; F151-F194 AromaticContact CZ-CD2 4Å; F151-F194 HydrophobicContact CZ-CD2 4Å; F151-F194 HydrophobicContact CZ-CG 4.06Å; F151-F199 HydrophobicContact CE2-CZ 4.16Å; F151-F199 AromaticContact CZ-CZ 3.92Å; F151-F199 HydrophobicContact CZ-CZ 3.92Å
152	T	98.6	Very high	98.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.7	-176.8	-170.6	0	0	0	0	112.9	A121 Q154 P155 V158 V171 L172 E173 V174	A121-T152 WeakPolarHBondContact O-CA 3.43Å; A121-T152 VanDerWaalsContact O-CB 3.28Å; A121-T152 WeakPolarHBondContact O-CB 3.46Å; A121-T152 PolarHBondContact O-OG1 3.36Å; T152-Q154 PolarHBondContact OG1-N 3.2Å; T152-Q154 VanDerWaalsContact OG1-N 3.08Å; T152-P155 HydrophobicContact CG2-CG 4.37Å; T152-V158 HydrophobicContact CG2-CG2 3.85Å; T152-V171 HydrophobicContact CG2-CG1 3.64Å; T152-L172 PolarHBondContact N-O 2.89Å; T152-E173 WeakPolarHBondContact O-CA 3.48Å; T152-V174 PolarHBondContact O-N 2.98Å
153	D	98.1	Very high	98.3	Very high	41 Å²	41	49 Å²	49	22%	0.219	28%	0.28	C	S	.	.	S	Bend	trans	-89.9	-3.5	168	62.6	-26.9	0	0	0	112.6	I122 K123 V174 A176	I122-D153 WeakPolarHBondContact CA-OD1 3.31Å; I122-D153 HydrophobicContact CD1-CB 4.33Å; K123-D153 VanDerWaalsContact N-CG 3.31Å; K123-D153 PolarHBondContact N-OD1 2.9Å; K123-D153 PolarHBondContact N-OD2 3.23Å; D153-V174 WeakPolarHBondContact CA-O 3.43Å; D153-A176 HydrophobicContact CB-CB 3.78Å; D153-A176 WeakPolarHBondContact OD2-CB 3.3Å
154	Q	98.1	Very high	98.3	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.341	26%	0.264	S	S	.	.			trans	-136.4	74.3	-176.1	-65.7	155	89.8	0	0	110.7	K123 V126 T152 A156 A157	K123-Q154 VanDerWaalsContact CA-NE2 3.26Å; K123-Q154 PolarHBondContact O-NE2 3.44Å; V126-Q154 HydrophobicContact CG1-CB 4.38Å; T152-Q154 PolarHBondContact OG1-N 3.2Å; T152-Q154 VanDerWaalsContact OG1-N 3.08Å; Q154-A156 PolarHBondContact O-N 3.05Å; Q154-A156 VanDerWaalsContact O-N 3.1Å; Q154-A157 HydrophobicContact CB-CB 3.8Å; Q154-A157 WeakPolarHBondContact O-CB 3.24Å; Q154-A157 PolarHBondContact O-N 2.85Å
155	P	98.3	Very high	98.2	Very high	48 Å²	48	54 Å²	54	31%	0.312	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-54.9	-34.4	-176.9	-28.1	36.1	0	0	0	114.3	T152 A157 V158 V171 E173	T152-P155 HydrophobicContact CG2-CG 4.37Å; P155-A157 VanDerWaalsContact C-N 3.27Å; P155-A157 PolarHBondContact O-N 2.88Å; P155-V158 PolarHBondContact O-N 3.07Å; P155-V171 HydrophobicContact CB-CG1 3.93Å; P155-V171 HydrophobicContact CG-CG1 4.45Å; P155-E173 HydrophobicContact CG-CB 3.9Å; P155-E173 HydrophobicContact CG-CG 3.73Å
156	A	98	Very high	98.2	Very high	109 Å²	109	51.2 Å²	51.2	90%	0.901	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.7	-16.2	177.4	0	0	0	0	0	114.5	Q154	Q154-A156 PolarHBondContact O-N 3.05Å; Q154-A156 VanDerWaalsContact O-N 3.1Å
157	A	98	Very high	98.1	Very high	42 Å²	42	52.5 Å²	52.5	35%	0.347	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-88.6	-6.2	177.5	0	0	0	0	0	113.2	V126 Q154 P155	V126-A157 HydrophobicContact CB-CB 4.12Å; V126-A157 HydrophobicContact CG1-CB 4.2Å; V126-A157 HydrophobicContact CG2-CB 4.01Å; Q154-A157 HydrophobicContact CB-CB 3.8Å; Q154-A157 WeakPolarHBondContact O-CB 3.24Å; Q154-A157 PolarHBondContact O-N 2.85Å; P155-A157 VanDerWaalsContact C-N 3.27Å; P155-A157 PolarHBondContact O-N 2.88Å
158	V	98.5	Very high	98.1	Very high	22 Å²	22	57.2 Å²	57.2	13%	0.133	34%	0.335	C	S	.	.	S	Bend	trans	-68.8	123.4	176.7	-178.4	0	0	0	0	109.5	L129 V150 T152 P155 L169 V171	L129-V158 HydrophobicContact CD1-CB 4.48Å; L129-V158 HydrophobicContact CD1-CG1 4.41Å; L129-V158 HydrophobicContact CD1-CG2 4.14Å; V150-V158 HydrophobicContact CG1-CG1 4.34Å; V150-V158 HydrophobicContact CG1-CG2 3.95Å; T152-V158 HydrophobicContact CG2-CG2 3.85Å; P155-V158 PolarHBondContact O-N 3.07Å; V158-L169 HydrophobicContact CG1-CD2 4.41Å; V158-V171 HydrophobicContact CB-CG2 4.11Å; V158-V171 HydrophobicContact CG1-CG2 3.96Å; V158-V171 HydrophobicContact CG2-CG1 3.89Å; V158-V171 HydrophobicContact CG2-CG2 3.94Å
159	P	97.8	Very high	98.1	Very high	34 Å²	34	59.7 Å²	59.7	22%	0.221	35%	0.347	C	S	.	.			trans	-70.6	143.3	-175.7	28.3	-34.2	0	0	0	111.6	L129 K130 L133 V161	L129-P159 HydrophobicContact CB-CG 3.82Å; K130-P159 HydrophobicContact CB-CB 4.18Å; K130-P159 HydrophobicContact CB-CG 4.01Å; K130-P159 HydrophobicContact CG-CB 4.46Å; L133-P159 HydrophobicContact CD1-CG 4.36Å; P159-V161 HydrophobicContact CB-CG2 4.28Å; P159-V161 HydrophobicContact CG-CG2 4.22Å; P159-V161 PolarHBondContact O-N 3.08Å
160	R	96.6	Very high	98.1	Very high	257 Å²	257	60.8 Å²	60.8	97%	0.97	36%	0.355	S	S	*	.			trans	-75.6	103.3	168.7	-65.6	-179.9	-177.2	160.7	1.4	109
161	V	97.6	Very high	98.1	Very high	27 Å²	27	63.5 Å²	63.5	16%	0.164	37%	0.372	C	S	.	.			trans	-107.8	136.5	176.5	179.3	0	0	0	0	109.2	L133 E134 P159 L163	L133-V161 HydrophobicContact CB-CB 4.31Å; L133-V161 HydrophobicContact CB-CG1 4.23Å; L133-V161 HydrophobicContact CB-CG2 3.94Å; L133-V161 HydrophobicContact CD1-CG2 4.2Å; E134-V161 HydrophobicContact CG-CG1 3.85Å; E134-V161 HydrophobicContact CG-CG2 4.22Å; P159-V161 HydrophobicContact CB-CG2 4.28Å; P159-V161 HydrophobicContact CG-CG2 4.22Å; P159-V161 PolarHBondContact O-N 3.08Å; V161-L163 HydrophobicContact CG1-CD2 4.46Å; V161-L163 PolarHBondContact O-N 3.13Å
162	T	98.1	Very high	98.1	Very high	133 Å²	133	64 Å²	64	82%	0.816	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-68.9	122.2	174.5	-55.4	0	0	0	0	109.4
163	L	98.4	Very high	98	Very high	54 Å²	54	70.9 Å²	70.9	28%	0.283	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-102.8	143.1	178.1	-52.6	-177.5	0	0	0	111	E137 Y148 V161 R167 L169	E137-L163 HydrophobicContact CG-CD2 4.04Å; E137-L163 WeakPolarHBondContact OE2-CA 3.4Å; Y148-L163 HydrophobicContact CD2-CD1 4.42Å; Y148-L163 HydrophobicContact CD2-CD2 4.32Å; Y148-L163 HydrophobicContact CE2-CD2 3.95Å; V161-L163 HydrophobicContact CG1-CD2 4.46Å; V161-L163 PolarHBondContact O-N 3.13Å; L163-R167 HydrophobicContact CB-CB 4.36Å; L163-L169 HydrophobicContact CD1-CB 3.85Å
164	G	97.6	Very high	97.9	Very high	34 Å²	34	70 Å²	70	35%	0.351	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-69.6	162.9	172.8	0	0	0	0	0	113.4	E137 G166 R167	E137-G164 PolarHBondContact OE2-N 3.47Å; G164-G166 PolarHBondContact O-N 2.78Å; G164-R167 VanDerWaalsContact O-CB 3.29Å; G164-R167 WeakPolarHBondContact O-CB 3.35Å; G164-R167 WeakPolarHBondContact O-CG 3.21Å; G164-R167 PolarHBondContact O-N 3.41Å; G164-R167 VanDerWaalsContact O-N 3.15Å
165	T	97.3	Very high	97.6	Very high	153 Å²	153	69.1 Å²	69.1	94%	0.939	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	134.6	178.9	-53.8	0	0	0	0	112.1	R167	T165-R167 VanDerWaalsContact C-N 3.29Å
166	G	97.2	Very high	97.3	Very high	43 Å²	43	69.1 Å²	69.1	44%	0.443	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	10.8	-179.2	0	0	0	0	0	114.5	R145 V146 G164	R145-G166 WeakPolarHBondContact CA-O 3.42Å; V146-G166 PolarHBondContact N-O 3.08Å; G164-G166 PolarHBondContact O-N 2.78Å
167	R	98.8	Very high	97.1	Very high	29 Å²	29	67.7 Å²	67.7	11%	0.109	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.8	178.6	-48.4	174.6	71.6	93.8	-12.4	109.7	E137 F140 M141 V146 Y148 L163 G164 T165	E137-R167 IonicContact OE1-CZ 3.88Å; E137-R167 IonicContact OE1-NE 2.78Å; E137-R167 PolarHBondContact OE1-NE 3.37Å; E137-R167 IonicContact OE1-NH2 3.46Å; E137-R167 PolarHBondContact OE1-NH2 2.83Å; E137-R167 WeakPolarHBondContact OE2-CD 3.45Å; E137-R167 IonicContact OE2-NE 3.38Å; E137-R167 PolarHBondContact OE2-NE 2.96Å; F140-R167 PolarHBondContact O-NH1 2.75Å; F140-R167 VanDerWaalsContact O-NH1 3.13Å; F140-R167 PolarHBondContact O-NH2 2.89Å; M141-R167 PolarHBondContact O-NH1 2.74Å; M141-R167 VanDerWaalsContact O-NH1 3.12Å; V146-R167 HydrophobicContact CB-CB 4.45Å; V146-R167 HydrophobicContact CB-CG 4.26Å; V146-R167 VanDerWaalsContact CG2-NH1 3.27Å; V146-R167 CarbonylContact O-C 3.12Å; V146-R167 VanDerWaalsContact O-CA 3.28Å; V146-R167 WeakPolarHBondContact O-CA 3.4Å; Y148-R167 PolarHBondContact OH-NH2 2.74Å; L163-R167 HydrophobicContact CB-CB 4.36Å; G164-R167 VanDerWaalsContact O-CB 3.29Å; G164-R167 WeakPolarHBondContact O-CB 3.35Å; G164-R167 WeakPolarHBondContact O-CG 3.21Å; G164-R167 PolarHBondContact O-N 3.41Å; G164-R167 VanDerWaalsContact O-N 3.15Å; T165-R167 VanDerWaalsContact C-N 3.29Å
168	Q	98.5	Very high	96.7	Very high	103 Å²	103	74.8 Å²	74.8	48%	0.481	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.9	-178	66.1	-172.4	5.2	0	0	111.7	V146 H147 Y148	V146-Q168 PolarHBondContact O-N 2.95Å; H147-Q168 CarbonylContact C-O 3.59Å; H147-Q168 WeakPolarHBondContact CA-O 3.44Å; H147-Q168 HydrophobicContact CB-CG 4.25Å; H147-Q168 PolarHBondContact CE1-NE2 3.37Å; H147-Q168 PolarHBondContact ND1-NE2 2.89Å; Y148-Q168 WeakPolarHBondContact CD2-O 3.45Å; Y148-Q168 PolarHBondContact N-O 3.34Å
169	L	98.8	Very high	96.5	Very high	51 Å²	51	78.1 Å²	78.1	27%	0.267	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.4	179.5	-175.5	151.5	0	0	0	110.2	L133 Y148 V150 V158 L163 V171	L133-L169 HydrophobicContact CD1-CD1 3.72Å; L133-L169 HydrophobicContact CD2-CD1 3.91Å; L133-L169 HydrophobicContact CG-CD1 4.49Å; Y148-L169 HydrophobicContact CD2-CB 4.37Å; Y148-L169 HydrophobicContact CG-CD1 4.48Å; Y148-L169 CarbonylContact O-C 3.55Å; Y148-L169 WeakPolarHBondContact O-CA 3.14Å; V150-L169 HydrophobicContact CG2-CD1 3.89Å; V150-L169 HydrophobicContact CG2-CD2 4.27Å; V150-L169 HydrophobicContact CG2-CG 4.12Å; V158-L169 HydrophobicContact CG1-CD2 4.41Å; L163-L169 HydrophobicContact CD1-CB 3.85Å; L169-V171 HydrophobicContact CD2-CG2 3.74Å
170	S	98.6	Very high	96.3	Very high	24 Å²	24	79.8 Å²	79.8	17%	0.168	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129	170.3	-69.5	0	0	0	0	109.7	H147 Y148 V150	H147-S170 PolarHBondContact NE2-OG 3.37Å; Y148-S170 PolarHBondContact O-N 3.2Å; V150-S170 PolarHBondContact N-O 3.47Å
171	V	98.6	Very high	96.2	Very high	57 Å²	57	69.4 Å²	69.4	35%	0.345	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129	171.5	-175.8	0	0	0	0	108	T152 P155 V158 L169	T152-V171 HydrophobicContact CG2-CG1 3.64Å; P155-V171 HydrophobicContact CB-CG1 3.93Å; P155-V171 HydrophobicContact CG-CG1 4.45Å; V158-V171 HydrophobicContact CB-CG2 4.11Å; V158-V171 HydrophobicContact CG1-CG2 3.96Å; V158-V171 HydrophobicContact CG2-CG1 3.89Å; V158-V171 HydrophobicContact CG2-CG2 3.94Å; L169-V171 HydrophobicContact CD2-CG2 3.74Å
172	L	98.3	Very high	96.1	Very high	9 Å²	9	69.7 Å²	69.7	5%	0.047	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	105.7	-178.2	-55.3	-178.7	0	0	0	107.9	Y149 V150 F151 T152 F194	Y149-L172 HydrophobicContact CD1-CD1 4.06Å; Y149-L172 HydrophobicContact CG-CD1 4.41Å; V150-L172 PolarHBondContact O-N 3.23Å; F151-L172 WeakPolarHBondContact CA-O 3.33Å; F151-L172 HydrophobicContact CD1-CB 3.97Å; F151-L172 HydrophobicContact CD1-CD1 4.19Å; F151-L172 HydrophobicContact CD2-CD1 4.26Å; F151-L172 HydrophobicContact CE1-CB 4.21Å; F151-L172 HydrophobicContact CE1-CD1 3.72Å; F151-L172 HydrophobicContact CE2-CD1 3.79Å; F151-L172 HydrophobicContact CG-CB 4.33Å; F151-L172 HydrophobicContact CG-CD1 4.45Å; F151-L172 HydrophobicContact CZ-CD1 3.51Å; T152-L172 PolarHBondContact N-O 2.89Å; L172-F194 HydrophobicContact CB-CE1 4.41Å; L172-F194 HydrophobicContact CB-CZ 4.25Å; L172-F194 HydrophobicContact CD1-CD1 3.75Å; L172-F194 HydrophobicContact CD1-CE1 3.8Å; L172-F194 HydrophobicContact CD1-CG 4.2Å; L172-F194 HydrophobicContact CD1-CZ 4.27Å; L172-F194 HydrophobicContact CD2-CD1 4.34Å; L172-F194 HydrophobicContact CD2-CE1 3.75Å; L172-F194 HydrophobicContact CD2-CZ 4.36Å; L172-F194 HydrophobicContact CG-CE1 4.2Å
173	E	97.7	Very high	95.9	Very high	146 Å²	146	64.8 Å²	64.8	68%	0.682	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.3	-178.6	-170.5	170.5	-172.8	0	0	110.9	T152 P155	T152-E173 WeakPolarHBondContact O-CA 3.48Å; P155-E173 HydrophobicContact CG-CB 3.9Å; P155-E173 HydrophobicContact CG-CG 3.73Å
174	V	96.1	Very high	95.7	Very high	21 Å²	21	63.5 Å²	63.5	13%	0.127	35%	0.353	C	S	.	.			trans	-142.8	152.5	-179.1	-67.9	0	0	0	0	111.7	I122 F151 T152 D153 M190	I122-V174 HydrophobicContact CD1-CG2 3.69Å; F151-V174 HydrophobicContact CB-CG2 4.22Å; F151-V174 HydrophobicContact CD1-CG1 3.89Å; F151-V174 HydrophobicContact CD1-CG2 4.49Å; T152-V174 PolarHBondContact O-N 2.98Å; D153-V174 WeakPolarHBondContact CA-O 3.43Å; V174-M190 HydrophobicContact CB-CE 4.01Å; V174-M190 HydrophobicContact CB-SD 3.86Å; V174-M190 HydrophobicContact CG1-CE 4.46Å; V174-M190 HydrophobicContact CG1-SD 3.88Å; V174-M190 HydrophobicContact CG2-CE 4.42Å; V174-M190 HydrophobicContact CG2-SD 3.94Å
175	G	91	Very high	95.7	Very high	56 Å²	56	63 Å²	63	58%	0.577	34%	0.341	S	S	*	.			trans	-69.7	139.5	-179.4	0	0	0	0	0	114
176	A	92.3	Very high	95.7	Very high	47 Å²	47	57.4 Å²	57.4	39%	0.388	30%	0.303	S	S	.	.			trans	-85.8	110.7	175.9	0	0	0	0	0	112.6	I122 K123 D153	I122-A176 HydrophobicContact CG2-CB 3.86Å; K123-A176 HydrophobicContact CG-CB 4.33Å; D153-A176 HydrophobicContact CB-CB 3.78Å; D153-A176 WeakPolarHBondContact OD2-CB 3.3Å
177	Y	93	Very high	95.7	Very high	79 Å²	79	56 Å²	56	31%	0.31	29%	0.285	S	S	.	.			trans	-68	148.7	171.1	-72.1	-96.3	0	0	0	112	K123 D182 V183 R186 M190	K123-Y177 WeakPolarHBondContact CE-O 3.24Å; K123-Y177 PolarHBondContact NZ-O 3.02Å; Y177-D182 VanDerWaalsContact CB-CB 3.49Å; Y177-D182 HydrophobicContact CD1-CB 3.93Å; Y177-D182 HydrophobicContact CG-CB 3.88Å; Y177-V183 WeakPolarHBondContact O-CG2 3.41Å; Y177-R186 HydrophobicContact CD1-CG 4.3Å; Y177-R186 HydrophobicContact CD2-CB 4.07Å; Y177-R186 HydrophobicContact CD2-CG 3.89Å; Y177-R186 HydrophobicContact CE1-CG 3.99Å; Y177-R186 HydrophobicContact CE2-CB 3.74Å; Y177-R186 HydrophobicContact CE2-CG 3.54Å; Y177-R186 HydrophobicContact CG-CG 4.26Å; Y177-M190 HydrophobicContact CD2-CE 4.49Å; Y177-M190 HydrophobicContact CE2-CE 3.88Å
178	K	91.1	Very high	95.7	Very high	192 Å²	192	54.7 Å²	54.7	84%	0.835	28%	0.28	S	S	*	.	S	Bend	trans	-65.5	-48.7	-174.6	-172.4	177.2	-179.5	179.4	0	112.8	K123	K123-K178 PolarHBondContact NZ-O 3.35Å
179	R	94.3	Very high	95.6	Very high	92 Å²	92	52.1 Å²	52.1	35%	0.347	27%	0.268	S	S	.	.	S	Bend	trans	-82.8	148.2	-178.7	-55	167.1	59.3	-132.7	7.5	110.5	Q181 D182 V183 E296	R179-Q181 VanDerWaalsContact C-N 3.27Å; R179-Q181 PolarHBondContact O-N 2.84Å; R179-D182 HydrophobicContact CB-CB 4.35Å; R179-D182 VanDerWaalsContact CB-OD2 3.3Å; R179-D182 WeakPolarHBondContact CB-OD2 3.33Å; R179-D182 WeakPolarHBondContact CD-OD2 3.24Å; R179-D182 WeakPolarHBondContact CG-OD2 3.45Å; R179-D182 IonicContact CZ-OD1 3.82Å; R179-D182 IonicContact NH1-OD1 2.74Å; R179-D182 PolarHBondContact NH1-OD1 3.2Å; R179-D182 PolarHBondContact O-N 2.83Å; R179-V183 WeakPolarHBondContact O-CG2 3.19Å; R179-V183 PolarHBondContact O-N 2.82Å; R179-E296 IonicContact CZ-OE1 2.9Å; R179-E296 IonicContact CZ-OE2 2.66Å; R179-E296 VanDerWaalsContact CZ-OE2 3.27Å; R179-E296 IonicContact NH1-OE1 2.7Å; R179-E296 IonicContact NH1-OE2 3.22Å; R179-E296 PolarHBondContact NH1-OE2 2.84Å; R179-E296 IonicContact NH2-OE1 3.41Å; R179-E296 PolarHBondContact NH2-OE1 3.49Å; R179-E296 IonicContact NH2-OE2 3.32Å; R179-E296 PolarHBondContact NH2-OE2 3.45Å
180	W	93.3	Very high	95.6	Very high	69 Å²	69	51 Å²	51	26%	0.261	26%	0.261	S	S	.	.	H	α-helix	trans	-70.1	-29.5	175.6	70.5	-95.1	0	0	0	111.7	V183 S184 H300 R351	W180-V183 PolarHBondContact O-N 2.92Å; W180-S184 PolarHBondContact O-N 3.42Å; W180-H300 AromaticContact CH2-CE1 3.41Å; W180-H300 VanDerWaalsContact CH2-CE1 3.41Å; W180-H300 WeakPolarHBondContact CH2-CE1 3.37Å; W180-H300 AromaticContact CH2-ND1 3.84Å; W180-R351 HydrophobicContact CB-CB 3.93Å; W180-R351 HydrophobicContact CB-CG 3.89Å; W180-R351 HydrophobicContact CG-CB 4.06Å; W180-R351 HydrophobicContact CG-CG 3.96Å
181	Q	94.9	Very high	95.6	Very high	39 Å²	39	50 Å²	50	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-53.5	171.5	-63.8	91.2	-29.7	0	0	110.8	R179 V183 S184 M185 H300	R179-Q181 VanDerWaalsContact C-N 3.27Å; R179-Q181 PolarHBondContact O-N 2.84Å; Q181-V183 VanDerWaalsContact C-N 3.3Å; Q181-V183 PolarHBondContact O-N 2.91Å; Q181-S184 WeakPolarHBondContact O-CB 3.4Å; Q181-S184 PolarHBondContact O-N 2.94Å; Q181-S184 VanDerWaalsContact O-N 3.1Å; Q181-M185 HydrophobicContact CB-CE 4.22Å; Q181-M185 WeakPolarHBondContact O-CG 3.45Å; Q181-M185 PolarHBondContact O-N 2.84Å; Q181-H300 VanDerWaalsContact CG-CD2 3.48Å; Q181-H300 WeakPolarHBondContact CG-CD2 3.38Å; Q181-H300 WeakPolarHBondContact CG-NE2 3.23Å
182	D	94.8	Very high	95.6	Very high	33 Å²	33	47.5 Å²	47.5	18%	0.176	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-41.2	178.4	-55.9	-25.5	0	0	0	111.3	Y177 R179 S184 M185 R186	Y177-D182 VanDerWaalsContact CB-CB 3.49Å; Y177-D182 HydrophobicContact CD1-CB 3.93Å; Y177-D182 HydrophobicContact CG-CB 3.88Å; R179-D182 HydrophobicContact CB-CB 4.35Å; R179-D182 VanDerWaalsContact CB-OD2 3.3Å; R179-D182 WeakPolarHBondContact CB-OD2 3.33Å; R179-D182 WeakPolarHBondContact CD-OD2 3.24Å; R179-D182 WeakPolarHBondContact CG-OD2 3.45Å; R179-D182 IonicContact CZ-OD1 3.82Å; R179-D182 IonicContact NH1-OD1 2.74Å; R179-D182 PolarHBondContact NH1-OD1 3.2Å; R179-D182 PolarHBondContact O-N 2.83Å; D182-S184 VanDerWaalsContact C-N 3.32Å; D182-S184 PolarHBondContact O-N 2.88Å; D182-M185 PolarHBondContact O-N 2.85Å; D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 WeakPolarHBondContact O-CG 3.35Å; D182-R186 PolarHBondContact O-N 2.82Å
183	V	93.3	Very high	95.5	Very high	30 Å²	30	49.7 Å²	49.7	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-41.3	175.5	171.3	0	0	0	0	111.6	I122 Y177 R179 W180 Q181 R187	I122-V183 HydrophobicContact CB-CG1 3.82Å; I122-V183 HydrophobicContact CG1-CG1 4Å; I122-V183 HydrophobicContact CG2-CG1 3.96Å; I122-V183 HydrophobicContact CG2-CG2 3.98Å; Y177-V183 WeakPolarHBondContact O-CG2 3.41Å; R179-V183 WeakPolarHBondContact O-CG2 3.19Å; R179-V183 PolarHBondContact O-N 2.82Å; W180-V183 PolarHBondContact O-N 2.92Å; Q181-V183 VanDerWaalsContact C-N 3.3Å; Q181-V183 PolarHBondContact O-N 2.91Å; V183-R187 WeakPolarHBondContact O-CG 3.42Å
184	S	94.3	Very high	95.6	Very high	27 Å²	27	44.1 Å²	44.1	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-69.3	-46.9	177	-165.8	0	0	0	0	112.2	W180 Q181 D182 R187 D301	W180-S184 PolarHBondContact O-N 3.42Å; Q181-S184 WeakPolarHBondContact O-CB 3.4Å; Q181-S184 PolarHBondContact O-N 2.94Å; Q181-S184 VanDerWaalsContact O-N 3.1Å; D182-S184 VanDerWaalsContact C-N 3.32Å; D182-S184 PolarHBondContact O-N 2.88Å; S184-R187 WeakPolarHBondContact O-CB 3.28Å; S184-R187 VanDerWaalsContact O-CG 3.24Å; S184-R187 WeakPolarHBondContact O-CG 3.39Å; S184-R187 PolarHBondContact O-N 3.15Å; S184-R187 PolarHBondContact O-NE 2.94Å; S184-R187 VanDerWaalsContact O-NE 3.07Å; S184-D301 VanDerWaalsContact CB-OD1 3.28Å; S184-D301 WeakPolarHBondContact CB-OD1 3.24Å; S184-D301 PolarHBondContact OG-OD1 3.03Å; S184-D301 PolarHBondContact OG-OD2 3.26Å
185	M	97.3	Very high	95.6	Very high	22 Å²	22	43.1 Å²	43.1	11%	0.108	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-41.7	-177.7	-70.8	-170.5	-63.6	0	0	113	Q181 D182 R187 M188 M287 E296 H300	Q181-M185 HydrophobicContact CB-CE 4.22Å; Q181-M185 WeakPolarHBondContact O-CG 3.45Å; Q181-M185 PolarHBondContact O-N 2.84Å; D182-M185 PolarHBondContact O-N 2.85Å; M185-R187 PolarHBondContact O-N 3.39Å; M185-M188 PolarHBondContact O-N 3.43Å; M185-M287 HydrophobicContact CB-CE 4.3Å; M185-M287 HydrophobicContact CB-SD 3.57Å; M185-M287 VanDerWaalsContact CB-SD 3.57Å; M185-M287 HydrophobicContact CG-SD 3.57Å; M185-M287 VanDerWaalsContact CG-SD 3.57Å; M185-M287 VanDerWaalsContact O-CE 3.3Å; M185-M287 WeakPolarHBondContact O-CE 3.37Å; M185-M287 HydrophobicContact SD-SD 3.91Å; M185-E296 HydrophobicContact CE-CG 4.32Å; M185-E296 WeakPolarHBondContact CE-OE2 3.48Å; M185-E296 HydrophobicContact SD-CG 4.28Å; M185-H300 HydrophobicContact CG-CB 3.73Å; M185-H300 HydrophobicContact SD-CB 4.08Å
186	R	97.1	Very high	95.6	Very high	37 Å²	37	45.8 Å²	45.8	14%	0.14	22%	0.216	C	C	.	.	H	α-helix	trans	-72.6	-9	-175.2	-63.8	-77.7	174.5	-179	-5.1	113.3	Y177 D182 M188 E189 M190 M288 Q291	Y177-R186 HydrophobicContact CD1-CG 4.3Å; Y177-R186 HydrophobicContact CD2-CB 4.07Å; Y177-R186 HydrophobicContact CD2-CG 3.89Å; Y177-R186 HydrophobicContact CE1-CG 3.99Å; Y177-R186 HydrophobicContact CE2-CB 3.74Å; Y177-R186 HydrophobicContact CE2-CG 3.54Å; Y177-R186 HydrophobicContact CG-CG 4.26Å; D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 WeakPolarHBondContact O-CG 3.35Å; D182-R186 PolarHBondContact O-N 2.82Å; R186-M188 PolarHBondContact O-N 3.01Å; R186-E189 WeakPolarHBondContact CD-OE2 3.47Å; R186-E189 IonicContact CZ-OE2 3.81Å; R186-E189 IonicContact NE-OE2 2.63Å; R186-E189 IonicContact NH1-OE1 3.56Å; R186-E189 IonicContact NH1-OE2 3.33Å; R186-E189 PolarHBondContact NH1-OE2 3.32Å; R186-E189 WeakPolarHBondContact O-CB 3.07Å; R186-E189 PolarHBondContact O-N 2.84Å; R186-M190 HydrophobicContact CB-CE 4.33Å; R186-M190 WeakPolarHBondContact O-CG 3.25Å; R186-M190 PolarHBondContact O-N 3.31Å; R186-M288 VanDerWaalsContact NH2-CE 3.29Å; R186-Q291 VanDerWaalsContact NH2-OE1 3.08Å
187	R	97.5	Very high	95.7	Very high	14 Å²	14	51.1 Å²	51.1	5%	0.053	23%	0.226	C	C	.	.	H	α-helix	trans	-55.5	-39.5	167.6	-58.3	-174.3	-60	150	2.6	111.8	F120 V183 S184 M185 E189 M190 I191 D210 G266 D301	F120-R187 HydrophobicContact CB-CG 4.3Å; F120-R187 HydrophobicContact CD1-CG 3.84Å; F120-R187 HydrophobicContact CD2-CB 4.11Å; F120-R187 HydrophobicContact CD2-CG 3.73Å; F120-R187 HydrophobicContact CE1-CB 4.3Å; F120-R187 HydrophobicContact CE1-CG 4.07Å; F120-R187 HydrophobicContact CE2-CB 3.86Å; F120-R187 HydrophobicContact CE2-CG 3.98Å; F120-R187 HydrophobicContact CG-CB 4.46Å; F120-R187 HydrophobicContact CG-CG 3.67Å; F120-R187 HydrophobicContact CZ-CB 3.96Å; F120-R187 HydrophobicContact CZ-CG 4.15Å; V183-R187 WeakPolarHBondContact O-CG 3.42Å; S184-R187 WeakPolarHBondContact O-CB 3.28Å; S184-R187 VanDerWaalsContact O-CG 3.24Å; S184-R187 WeakPolarHBondContact O-CG 3.39Å; S184-R187 PolarHBondContact O-N 3.15Å; S184-R187 PolarHBondContact O-NE 2.94Å; S184-R187 VanDerWaalsContact O-NE 3.07Å; M185-R187 PolarHBondContact O-N 3.39Å; R187-E189 PolarHBondContact O-N 3.2Å; R187-M190 PolarHBondContact O-N 3.06Å; R187-I191 HydrophobicContact CB-CD1 4.41Å; R187-I191 WeakPolarHBondContact O-CB 3.06Å; R187-I191 WeakPolarHBondContact O-CD1 3.43Å; R187-I191 WeakPolarHBondContact O-CG1 3.35Å; R187-I191 PolarHBondContact O-N 3.26Å; R187-D210 IonicContact CZ-OD1 2.65Å; R187-D210 IonicContact NH1-OD1 3.41Å; R187-D210 PolarHBondContact NH1-OD1 3.43Å; R187-D210 IonicContact NH2-OD1 2.68Å; R187-G266 PolarHBondContact NH2-O 2.84Å; R187-G266 VanDerWaalsContact NH2-O 3.12Å; R187-D301 IonicContact CZ-OD2 2.67Å; R187-D301 IonicContact NE-OD2 2.7Å; R187-D301 IonicContact NH2-OD2 3.8Å; R187-D301 PolarHBondContact NH2-OD2 3.06Å
188	M	98.3	Very high	95.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-43.5	179.5	-63.7	-67.1	177.1	0	0	111.8	M185 R186 S192 F269 L279 T280 C283 H284 M287 D301	M185-M188 PolarHBondContact O-N 3.43Å; R186-M188 PolarHBondContact O-N 3.01Å; M188-S192 WeakPolarHBondContact O-CB 3.17Å; M188-S192 PolarHBondContact O-N 2.99Å; M188-S192 VanDerWaalsContact O-N 3.13Å; M188-S192 PolarHBondContact O-OG 3.48Å; M188-F269 HydrophobicContact CE-CE1 3.94Å; M188-F269 HydrophobicContact CE-CZ 3.91Å; M188-F269 HydrophobicContact SD-CZ 4.09Å; M188-L279 HydrophobicContact SD-CD2 4.15Å; M188-T280 WeakPolarHBondContact O-CB 3.21Å; M188-T280 HydrophobicContact SD-CG2 3.82Å; M188-C283 HydrophobicContact CB-CB 4.37Å; M188-C283 HydrophobicContact CG-CB 3.98Å; M188-C283 HydrophobicContact SD-CB 3.97Å; M188-H284 HydrophobicContact CB-CB 4.19Å; M188-M287 HydrophobicContact CB-CE 3.71Å; M188-M287 HydrophobicContact CG-CE 3.67Å; M188-D301 HydrophobicContact CE-CB 3.92Å; M188-D301 HydrophobicContact CG-CB 4.22Å
189	E	98.3	Very high	96.1	Very high	49 Å²	49	41.6 Å²	41.6	23%	0.229	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-55.3	173.8	-172	176.4	172.1	0	0	110.6	R186 R187 I191 S192 D193 H284	R186-E189 WeakPolarHBondContact CD-OE2 3.47Å; R186-E189 IonicContact CZ-OE2 3.81Å; R186-E189 IonicContact NE-OE2 2.63Å; R186-E189 IonicContact NH1-OE1 3.56Å; R186-E189 IonicContact NH1-OE2 3.33Å; R186-E189 PolarHBondContact NH1-OE2 3.32Å; R186-E189 WeakPolarHBondContact O-CB 3.07Å; R186-E189 PolarHBondContact O-N 2.84Å; R187-E189 PolarHBondContact O-N 3.2Å; E189-I191 PolarHBondContact O-N 3.26Å; E189-S192 PolarHBondContact O-N 3.27Å; E189-S192 VanDerWaalsContact O-N 3.09Å; E189-S192 PolarHBondContact O-OG 2.95Å; E189-D193 PolarHBondContact O-N 3.01Å; E189-H284 VanDerWaalsContact CD-CE1 3.45Å; E189-H284 IonicContact OE2-CE1 3.54Å; E189-H284 PolarHBondContact OE2-CE1 3.45Å; E189-H284 VanDerWaalsContact OE2-CE1 3.28Å; E189-H284 IonicContact OE2-ND1 3.52Å
190	M	98	Very high	96.2	Very high	28 Å²	28	42 Å²	42	14%	0.138	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-40.2	-175.3	-66	175.3	-175	0	0	113	F120 F151 V174 Y177 R186 R187 F194	F120-M190 HydrophobicContact CD1-SD 4.48Å; F120-M190 HydrophobicContact CE1-CB 3.96Å; F120-M190 HydrophobicContact CE1-CG 4.46Å; F120-M190 HydrophobicContact CE1-SD 3.68Å; F120-M190 HydrophobicContact CZ-CB 3.94Å; F151-M190 HydrophobicContact CD1-CB 4.43Å; F151-M190 HydrophobicContact CE1-CB 4.13Å; V174-M190 HydrophobicContact CB-CE 4.01Å; V174-M190 HydrophobicContact CB-SD 3.86Å; V174-M190 HydrophobicContact CG1-CE 4.46Å; V174-M190 HydrophobicContact CG1-SD 3.88Å; V174-M190 HydrophobicContact CG2-CE 4.42Å; V174-M190 HydrophobicContact CG2-SD 3.94Å; Y177-M190 HydrophobicContact CD2-CE 4.49Å; Y177-M190 HydrophobicContact CE2-CE 3.88Å; R186-M190 HydrophobicContact CB-CE 4.33Å; R186-M190 WeakPolarHBondContact O-CG 3.25Å; R186-M190 PolarHBondContact O-N 3.31Å; R187-M190 PolarHBondContact O-N 3.06Å; M190-F194 WeakPolarHBondContact O-CD2 3.41Å; M190-F194 PolarHBondContact O-N 3.03Å; M190-F194 VanDerWaalsContact O-N 3.08Å
191	I	98.6	Very high	96.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-45	173.9	-64.3	160.2	0	0	0	109.8	F120 R187 E189 D193 F194 C195 F199 C208 F269 V276 T280	F120-I191 HydrophobicContact CE2-CD1 3.96Å; F120-I191 HydrophobicContact CE2-CG1 3.82Å; F120-I191 HydrophobicContact CZ-CG1 3.99Å; R187-I191 HydrophobicContact CB-CD1 4.41Å; R187-I191 WeakPolarHBondContact O-CB 3.06Å; R187-I191 WeakPolarHBondContact O-CD1 3.43Å; R187-I191 WeakPolarHBondContact O-CG1 3.35Å; R187-I191 PolarHBondContact O-N 3.26Å; E189-I191 PolarHBondContact O-N 3.26Å; I191-D193 VanDerWaalsContact C-N 3.32Å; I191-D193 PolarHBondContact O-N 2.98Å; I191-F194 PolarHBondContact O-N 3.19Å; I191-C195 PolarHBondContact O-N 3.11Å; I191-C195 PolarHBondContact O-SG 2.68Å; I191-F199 HydrophobicContact CG2-CE2 4.36Å; I191-C208 HydrophobicContact CD1-CB 4.22Å; I191-F269 HydrophobicContact CD1-CZ 4.18Å; I191-V276 HydrophobicContact CG2-CG1 3.76Å; I191-T280 HydrophobicContact CB-CG2 4.03Å; I191-T280 HydrophobicContact CD1-CG2 4.4Å; I191-T280 HydrophobicContact CG2-CG2 3.83Å
192	S	97.9	Very high	96.5	Very high	5 Å²	5	44.5 Å²	44.5	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-33.9	-178.3	82.4	0	0	0	0	113.4	M188 E189 C195 T280	M188-S192 WeakPolarHBondContact O-CB 3.17Å; M188-S192 PolarHBondContact O-N 2.99Å; M188-S192 VanDerWaalsContact O-N 3.13Å; M188-S192 PolarHBondContact O-OG 3.48Å; E189-S192 PolarHBondContact O-N 3.27Å; E189-S192 VanDerWaalsContact O-N 3.09Å; E189-S192 PolarHBondContact O-OG 2.95Å; S192-C195 WeakPolarHBondContact O-CB 3.46Å; S192-T280 WeakPolarHBondContact CB-OG1 3.44Å
193	D	97.3	Very high	96.7	Very high	54 Å²	54	43.4 Å²	43.4	29%	0.289	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-48	172.8	-94.9	18	0	0	0	111.5	E189 I191 C195 E196 R197	E189-D193 PolarHBondContact O-N 3.01Å; I191-D193 VanDerWaalsContact C-N 3.32Å; I191-D193 PolarHBondContact O-N 2.98Å; D193-C195 VanDerWaalsContact C-N 3.31Å; D193-C195 PolarHBondContact O-N 2.9Å; D193-E196 PolarHBondContact O-N 2.94Å; D193-R197 WeakPolarHBondContact O-CG 3.39Å; D193-R197 PolarHBondContact O-N 2.79Å; D193-R197 VanDerWaalsContact O-N 3.1Å; D193-R197 IonicContact OD2-CZ 3.8Å; D193-R197 IonicContact OD2-NH1 2.97Å; D193-R197 IonicContact OD2-NH2 3.35Å; D193-R197 PolarHBondContact OD2-NH2 3.41Å
194	F	98.1	Very high	97	Very high	30 Å²	30	46 Å²	46	13%	0.132	23%	0.226	C	C	.	.	H	α-helix	trans	-75.3	-18.4	-178.4	-83.6	-92.6	0	0	0	113.6	F151 L172 M190 I191 E196 R197 R198 F199	F151-F194 AromaticContact CE1-CD2 3.55Å; F151-F194 HydrophobicContact CE1-CD2 3.55Å; F151-F194 AromaticContact CE1-CE2 3.81Å; F151-F194 HydrophobicContact CE1-CE2 3.81Å; F151-F194 HydrophobicContact CE1-CG 4.05Å; F151-F194 HydrophobicContact CZ-CB 4.14Å; F151-F194 AromaticContact CZ-CD2 4Å; F151-F194 HydrophobicContact CZ-CD2 4Å; F151-F194 HydrophobicContact CZ-CG 4.06Å; L172-F194 HydrophobicContact CB-CE1 4.41Å; L172-F194 HydrophobicContact CB-CZ 4.25Å; L172-F194 HydrophobicContact CD1-CD1 3.75Å; L172-F194 HydrophobicContact CD1-CE1 3.8Å; L172-F194 HydrophobicContact CD1-CG 4.2Å; L172-F194 HydrophobicContact CD1-CZ 4.27Å; L172-F194 HydrophobicContact CD2-CD1 4.34Å; L172-F194 HydrophobicContact CD2-CE1 3.75Å; L172-F194 HydrophobicContact CD2-CZ 4.36Å; L172-F194 HydrophobicContact CG-CE1 4.2Å; M190-F194 WeakPolarHBondContact O-CD2 3.41Å; M190-F194 PolarHBondContact O-N 3.03Å; M190-F194 VanDerWaalsContact O-N 3.08Å; I191-F194 PolarHBondContact O-N 3.19Å; F194-E196 VanDerWaalsContact C-N 3.32Å; F194-E196 PolarHBondContact O-N 2.72Å; F194-R197 PolarHBondContact O-N 2.98Å; F194-R198 HydrophobicContact CD1-CG 4.17Å; F194-R198 PolarHBondContact O-N 3.08Å; F194-F199 HydrophobicContact CB-CD2 4.12Å; F194-F199 HydrophobicContact CB-CE1 4Å; F194-F199 HydrophobicContact CB-CE2 3.47Å; F194-F199 VanDerWaalsContact CB-CE2 3.47Å; F194-F199 HydrophobicContact CB-CZ 3.42Å; F194-F199 VanDerWaalsContact CB-CZ 3.42Å; F194-F199 HydrophobicContact CG-CZ 4.38Å; F194-F199 WeakPolarHBondContact O-CD2 3.29Å; F194-F199 WeakPolarHBondContact O-CG 3.45Å; F194-F199 PolarHBondContact O-N 3.12Å
195	C	96.9	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-54.1	-48.9	164.3	-74	0	0	0	0	111.2	I191 S192 D193 F199 L200 V273 Q277	I191-C195 PolarHBondContact O-N 3.11Å; I191-C195 PolarHBondContact O-SG 2.68Å; S192-C195 WeakPolarHBondContact O-CB 3.46Å; D193-C195 VanDerWaalsContact C-N 3.31Å; D193-C195 PolarHBondContact O-N 2.9Å; C195-F199 HydrophobicContact CB-CD2 4.38Å; C195-F199 VanDerWaalsContact N-CD2 3.33Å; C195-L200 WeakPolarHBondContact O-CB 3.33Å; C195-L200 VanDerWaalsContact O-CG 3.25Å; C195-L200 WeakPolarHBondContact O-CG 3.43Å; C195-L200 PolarHBondContact O-N 2.72Å; C195-V273 HydrophobicContact CB-CG1 4.21Å; C195-Q277 HydrophobicContact CB-CB 3.8Å; C195-Q277 HydrophobicContact CB-CG 3.8Å
196	E	92	Very high	97.3	Very high	112 Å²	112	45.5 Å²	45.5	52%	0.523	22%	0.219	S	C	.	.	I	π-helix	trans	-74.5	-39.7	179.4	-65.8	-173.9	171.3	0	0	112.7	D193 F194 Q277 R281	D193-E196 PolarHBondContact O-N 2.94Å; F194-E196 VanDerWaalsContact C-N 3.32Å; F194-E196 PolarHBondContact O-N 2.72Å; E196-Q277 PolarHBondContact OE1-NE2 2.84Å; E196-R281 IonicContact OE1-CZ 2.66Å; E196-R281 VanDerWaalsContact OE1-CZ 3.28Å; E196-R281 IonicContact OE1-NH1 2.67Å; E196-R281 PolarHBondContact OE1-NH1 2.93Å; E196-R281 IonicContact OE1-NH2 3.28Å; E196-R281 PolarHBondContact OE1-NH2 2.74Å; E196-R281 IonicContact OE2-NH2 2.67Å
197	R	93.3	Very high	97.3	Very high	158 Å²	158	43.8 Å²	43.8	60%	0.596	21%	0.212	S	C	*	.	I	π-helix	trans	-77	-30.5	-174.3	-64.3	173	-168.7	173	10.9	114.1	D193 F194	D193-R197 WeakPolarHBondContact O-CG 3.39Å; D193-R197 PolarHBondContact O-N 2.79Å; D193-R197 VanDerWaalsContact O-N 3.1Å; D193-R197 IonicContact OD2-CZ 3.8Å; D193-R197 IonicContact OD2-NH1 2.97Å; D193-R197 IonicContact OD2-NH2 3.35Å; D193-R197 PolarHBondContact OD2-NH2 3.41Å; F194-R197 PolarHBondContact O-N 2.98Å
198	R	94.9	Very high	97.4	Very high	72 Å²	72	43.1 Å²	43.1	27%	0.272	21%	0.21	S	C	.	.	I	π-helix	trans	-143.9	-53.5	-171.7	-64	-166	71.6	157.8	2.2	114.5	F194 L200 S201 E202	F194-R198 HydrophobicContact CD1-CG 4.17Å; F194-R198 PolarHBondContact O-N 3.08Å; R198-L200 VanDerWaalsContact C-N 3.3Å; R198-L200 PolarHBondContact O-N 2.88Å; R198-S201 PolarHBondContact O-N 3.26Å; R198-S201 PolarHBondContact O-OG 2.94Å; R198-E202 IonicContact CZ-OE1 3.21Å; R198-E202 VanDerWaalsContact CZ-OE1 3.22Å; R198-E202 IonicContact CZ-OE2 3.99Å; R198-E202 IonicContact NE-OE1 3.39Å; R198-E202 PolarHBondContact NE-OE1 2.67Å; R198-E202 IonicContact NE-OE2 3.66Å; R198-E202 PolarHBondContact NE-OE2 3.43Å; R198-E202 IonicContact NH2-OE1 3.61Å; R198-E202 PolarHBondContact NH2-OE1 3.44Å; R198-E202 IonicContact NH2-OE2 2.71Å; R198-E202 PolarHBondContact O-N 3.1Å
199	F	97.7	Very high	97.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-63.6	-35.9	-161.5	-50.5	-35.7	0	0	0	112.9	T118 Y149 F151 I191 F194 C195 S201 E202 V203 L206 V273	T118-F199 HydrophobicContact CG2-CE1 4.48Å; T118-F199 HydrophobicContact CG2-CE2 4Å; T118-F199 HydrophobicContact CG2-CZ 3.74Å; Y149-F199 HydrophobicContact CD1-CD1 4.32Å; Y149-F199 AromaticContact CD1-CE1 3.6Å; Y149-F199 HydrophobicContact CD1-CE1 3.6Å; Y149-F199 HydrophobicContact CD2-CD1 4.01Å; Y149-F199 AromaticContact CD2-CE1 3.52Å; Y149-F199 HydrophobicContact CD2-CE1 3.52Å; Y149-F199 HydrophobicContact CD2-CZ 4.23Å; Y149-F199 AromaticContact CE1-CD1 3.91Å; Y149-F199 HydrophobicContact CE1-CD1 3.91Å; Y149-F199 AromaticContact CE1-CE1 3.66Å; Y149-F199 HydrophobicContact CE1-CE1 3.66Å; Y149-F199 AromaticContact CE2-CD1 3.59Å; Y149-F199 HydrophobicContact CE2-CD1 3.59Å; Y149-F199 AromaticContact CE2-CE1 3.59Å; Y149-F199 HydrophobicContact CE2-CE1 3.59Å; Y149-F199 HydrophobicContact CG-CD1 4.34Å; Y149-F199 AromaticContact CG-CE1 3.5Å; Y149-F199 HydrophobicContact CG-CE1 3.5Å; Y149-F199 HydrophobicContact CG-CZ 4.17Å; Y149-F199 AromaticContact CZ-CD1 3.51Å; Y149-F199 AromaticContact CZ-CE1 3.64Å; F151-F199 HydrophobicContact CE2-CZ 4.16Å; F151-F199 AromaticContact CZ-CZ 3.92Å; F151-F199 HydrophobicContact CZ-CZ 3.92Å; I191-F199 HydrophobicContact CG2-CE2 4.36Å; F194-F199 HydrophobicContact CB-CD2 4.12Å; F194-F199 HydrophobicContact CB-CE1 4Å; F194-F199 HydrophobicContact CB-CE2 3.47Å; F194-F199 VanDerWaalsContact CB-CE2 3.47Å; F194-F199 HydrophobicContact CB-CZ 3.42Å; F194-F199 VanDerWaalsContact CB-CZ 3.42Å; F194-F199 HydrophobicContact CG-CZ 4.38Å; F194-F199 WeakPolarHBondContact O-CD2 3.29Å; F194-F199 WeakPolarHBondContact O-CG 3.45Å; F194-F199 PolarHBondContact O-N 3.12Å; C195-F199 HydrophobicContact CB-CD2 4.38Å; C195-F199 VanDerWaalsContact N-CD2 3.33Å; F199-S201 PolarHBondContact O-N 2.88Å; F199-S201 VanDerWaalsContact O-N 3.12Å; F199-E202 PolarHBondContact O-N 3.5Å; F199-E202 VanDerWaalsContact O-N 3.16Å; F199-V203 HydrophobicContact CB-CG2 3.95Å; F199-V203 WeakPolarHBondContact O-CG2 3.14Å; F199-V203 PolarHBondContact O-N 3Å; F199-L206 HydrophobicContact CB-CD1 3.89Å; F199-L206 HydrophobicContact CB-CD2 4.15Å; F199-L206 HydrophobicContact CB-CG 4.36Å; F199-L206 HydrophobicContact CD1-CD2 4.22Å; F199-L206 HydrophobicContact CD2-CD1 3.44Å; F199-L206 VanDerWaalsContact CD2-CD1 3.44Å; F199-L206 HydrophobicContact CD2-CD2 3.8Å; F199-L206 HydrophobicContact CD2-CG 4.26Å; F199-L206 HydrophobicContact CE2-CD1 4.2Å; F199-L206 HydrophobicContact CE2-CD2 4.18Å; F199-L206 HydrophobicContact CG-CD1 3.92Å; F199-L206 HydrophobicContact CG-CD2 3.81Å; F199-L206 HydrophobicContact CG-CG 4.41Å; F199-V273 HydrophobicContact CB-CG1 3.85Å; F199-V273 HydrophobicContact CB-CG2 4.28Å
200	L	95.8	Very high	97.4	Very high	100 Å²	100	42.6 Å²	42.6	52%	0.524	21%	0.209	S	C	.	.	H	α-helix	trans	-59.8	-19.6	176.8	-78.8	171.7	0	0	0	114.7	C195 R198 V273	C195-L200 WeakPolarHBondContact O-CB 3.33Å; C195-L200 VanDerWaalsContact O-CG 3.25Å; C195-L200 WeakPolarHBondContact O-CG 3.43Å; C195-L200 PolarHBondContact O-N 2.72Å; R198-L200 VanDerWaalsContact C-N 3.3Å; R198-L200 PolarHBondContact O-N 2.88Å; L200-V273 HydrophobicContact CB-CG1 4.45Å; L200-V273 HydrophobicContact CD2-CB 4.01Å; L200-V273 HydrophobicContact CD2-CG1 3.62Å; L200-V273 HydrophobicContact CG-CG1 3.7Å
201	S	97.1	Very high	97.5	Very high	104 Å²	104	41.4 Å²	41.4	73%	0.727	20%	0.203	S	C	*	.	H	α-helix	trans	-108.5	-8.6	177.9	60.7	0	0	0	0	114.1	R198 F199	R198-S201 PolarHBondContact O-N 3.26Å; R198-S201 PolarHBondContact O-OG 2.94Å; F199-S201 PolarHBondContact O-N 2.88Å; F199-S201 VanDerWaalsContact O-N 3.12Å
202	E	98.4	Very high	97.4	Very high	56 Å²	56	41.9 Å²	41.9	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-114.2	-30.6	-172	-68.8	-179.3	173.9	0	0	113.8	H147 Y149 R198 F199	H147-E202 IonicContact CE1-OE2 3.83Å; H147-E202 PolarHBondContact CE1-OE2 3.29Å; H147-E202 VanDerWaalsContact CE1-OE2 3.23Å; H147-E202 IonicContact ND1-OE2 2.66Å; Y149-E202 VanDerWaalsContact CE1-OE2 3.23Å; Y149-E202 WeakPolarHBondContact CE1-OE2 3.28Å; Y149-E202 VanDerWaalsContact OH-CB 3.26Å; Y149-E202 WeakPolarHBondContact OH-CB 3.31Å; Y149-E202 PolarHBondContact OH-OE2 3.16Å; R198-E202 IonicContact CZ-OE1 3.21Å; R198-E202 VanDerWaalsContact CZ-OE1 3.22Å; R198-E202 IonicContact CZ-OE2 3.99Å; R198-E202 IonicContact NE-OE1 3.39Å; R198-E202 PolarHBondContact NE-OE1 2.67Å; R198-E202 IonicContact NE-OE2 3.66Å; R198-E202 PolarHBondContact NE-OE2 3.43Å; R198-E202 IonicContact NH2-OE1 3.61Å; R198-E202 PolarHBondContact NH2-OE1 3.44Å; R198-E202 IonicContact NH2-OE2 2.71Å; R198-E202 PolarHBondContact O-N 3.1Å; F199-E202 PolarHBondContact O-N 3.5Å; F199-E202 VanDerWaalsContact O-N 3.16Å
203	V	98.8	Very high	97.4	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	21%	0.206	C	C	.	.			trans	-142.5	152.3	-172	-59.4	0	0	0	0	112.7	T114 H147 Y149 F199 L206 V273	T114-V203 HydrophobicContact CG2-CG1 3.99Å; H147-V203 HydrophobicContact CB-CG1 3.91Å; Y149-V203 HydrophobicContact CE2-CG1 4.15Å; F199-V203 HydrophobicContact CB-CG2 3.95Å; F199-V203 WeakPolarHBondContact O-CG2 3.14Å; F199-V203 PolarHBondContact O-N 3Å; V203-L206 HydrophobicContact CG2-CD2 3.97Å; V203-L206 HydrophobicContact CG2-CG 4.19Å; V203-V273 HydrophobicContact CG2-CG2 3.85Å; V203-V273 VanDerWaalsContact O-CG2 3.23Å; V203-V273 WeakPolarHBondContact O-CG2 3.32Å
204	D	98.7	Very high	97.5	Very high	83 Å²	83	41.1 Å²	41.1	44%	0.444	20%	0.2	S	C	.	.	S	Bend	trans	-87.1	-38.3	177.7	-54.1	-69.3	0	0	0	111.6	T113 T114 V273	T113-D204 WeakPolarHBondContact CA-OD2 3.44Å; T113-D204 HydrophobicContact CG2-CB 4.28Å; T114-D204 PolarHBondContact N-OD2 3Å; T114-D204 PolarHBondContact O-N 3.5Å; D204-V273 PolarHBondContact O-N 3.44Å
205	Y	98.9	Very high	97.5	Very high	40 Å²	40	39.8 Å²	39.8	16%	0.157	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148	-178.4	-64	-89.9	0	0	0	111	F108 T113 G116 L224 T225 G271	F108-Y205 HydrophobicContact CE1-CE2 4.06Å; T113-Y205 HydrophobicContact CG2-CD2 3.65Å; T113-Y205 HydrophobicContact CG2-CE2 3.86Å; G116-Y205 PolarHBondContact N-O 2.87Å; Y205-L224 HydrophobicContact CD1-CB 4.29Å; Y205-L224 HydrophobicContact CD1-CD2 4.29Å; Y205-L224 HydrophobicContact CD2-CD1 4.11Å; Y205-L224 HydrophobicContact CD2-CD2 4.42Å; Y205-L224 HydrophobicContact CE1-CB 4.35Å; Y205-L224 HydrophobicContact CG-CB 4.42Å; Y205-L224 HydrophobicContact CG-CD1 4.43Å; Y205-L224 HydrophobicContact CG-CD2 3.92Å; Y205-L224 HydrophobicContact CG-CG 4.48Å; Y205-T225 WeakPolarHBondContact CE1-O 3.41Å; Y205-G271 CarbonylContact C-O 3.46Å; Y205-G271 VanDerWaalsContact CA-O 3.25Å; Y205-G271 WeakPolarHBondContact CA-O 3.39Å; Y205-G271 WeakPolarHBondContact CB-O 3.41Å
206	L	98.9	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.8	170.8	-74.9	163.9	0	0	0	110.2	G116 T118 Y149 F199 V203 G270 G271 V273 V276	G116-L206 CarbonylContact O-C 3.47Å; G116-L206 WeakPolarHBondContact O-CA 3.49Å; T118-L206 HydrophobicContact CG2-CD2 3.87Å; Y149-L206 HydrophobicContact CE2-CD2 4.49Å; F199-L206 HydrophobicContact CB-CD1 3.89Å; F199-L206 HydrophobicContact CB-CD2 4.15Å; F199-L206 HydrophobicContact CB-CG 4.36Å; F199-L206 HydrophobicContact CD1-CD2 4.22Å; F199-L206 HydrophobicContact CD2-CD1 3.44Å; F199-L206 VanDerWaalsContact CD2-CD1 3.44Å; F199-L206 HydrophobicContact CD2-CD2 3.8Å; F199-L206 HydrophobicContact CD2-CG 4.26Å; F199-L206 HydrophobicContact CE2-CD1 4.2Å; F199-L206 HydrophobicContact CE2-CD2 4.18Å; F199-L206 HydrophobicContact CG-CD1 3.92Å; F199-L206 HydrophobicContact CG-CD2 3.81Å; F199-L206 HydrophobicContact CG-CG 4.41Å; V203-L206 HydrophobicContact CG2-CD2 3.97Å; V203-L206 HydrophobicContact CG2-CG 4.19Å; L206-G270 CarbonylContact O-C 3.58Å; L206-G270 WeakPolarHBondContact O-CA 3.26Å; L206-G271 PolarHBondContact N-O 3.05Å; L206-G271 PolarHBondContact O-N 3.4Å; L206-V273 HydrophobicContact CD1-CB 4.31Å; L206-V273 HydrophobicContact CD1-CG1 4.01Å; L206-V273 HydrophobicContact CD1-CG2 4.11Å; L206-V273 HydrophobicContact CG-CG2 4.14Å; L206-V276 HydrophobicContact CB-CB 4.29Å; L206-V276 HydrophobicContact CB-CG1 4.19Å; L206-V276 HydrophobicContact CB-CG2 4.02Å; L206-V276 HydrophobicContact CD1-CB 4.18Å; L206-V276 HydrophobicContact CD1-CG1 3.95Å
207	V	98.9	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.6	168.9	178.4	0	0	0	0	107.2	I115 G116 L117 T118 F140 V209 I223 F228 F268	I115-V207 HydrophobicContact CG2-CG2 3.95Å; G116-V207 PolarHBondContact O-N 3.44Å; L117-V207 WeakPolarHBondContact CA-O 3.29Å; L117-V207 HydrophobicContact CD1-CB 3.78Å; L117-V207 HydrophobicContact CD1-CG1 3.59Å; T118-V207 PolarHBondContact N-O 2.84Å; T118-V207 PolarHBondContact OG1-O 3.1Å; F140-V207 HydrophobicContact CE2-CB 4.32Å; F140-V207 HydrophobicContact CE2-CG1 4.15Å; F140-V207 HydrophobicContact CE2-CG2 4.2Å; F140-V207 HydrophobicContact CZ-CB 4.1Å; F140-V207 HydrophobicContact CZ-CG1 4.4Å; F140-V207 HydrophobicContact CZ-CG2 4Å; V207-V209 HydrophobicContact CG1-CG1 3.96Å; V207-I223 HydrophobicContact CG2-CD1 4Å; V207-F228 HydrophobicContact CG1-CZ 4.36Å; V207-F228 HydrophobicContact CG2-CE1 4.44Å; V207-F228 HydrophobicContact CG2-CZ 4.18Å; V207-F268 HydrophobicContact CG1-CD1 4.16Å; V207-F268 HydrophobicContact CG1-CE1 3.51Å; V207-F268 HydrophobicContact CG1-CZ 4.17Å
208	C	98.9	Very high	98.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116	-173.9	-58.7	0	0	0	0	109.3	T118 I191 F268 F269	T118-C208 WeakPolarHBondContact OG1-CA 3.36Å; T118-C208 PolarHBondContact OG1-SG 2.86Å; I191-C208 HydrophobicContact CD1-CB 4.22Å; C208-F268 WeakPolarHBondContact O-CA 3.2Å; C208-F269 HydrophobicContact CB-CD1 4.28Å; C208-F269 HydrophobicContact CB-CD2 3.99Å; C208-F269 HydrophobicContact CB-CE1 3.89Å; C208-F269 HydrophobicContact CB-CE2 3.56Å; C208-F269 HydrophobicContact CB-CG 4.32Å; C208-F269 HydrophobicContact CB-CZ 3.51Å; C208-F269 PolarHBondContact N-O 3.28Å; C208-F269 PolarHBondContact O-N 3.4Å; C208-F269 VanDerWaalsContact O-N 3.1Å
209	V	98.8	Very high	98.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	157.7	-171.8	-63.8	0	0	0	0	113.8	L117 T118 F132 V207 A267 F268 F340	L117-V209 HydrophobicContact CD1-CG1 4.47Å; L117-V209 HydrophobicContact CD1-CG2 3.72Å; L117-V209 HydrophobicContact CG-CG2 4.38Å; T118-V209 PolarHBondContact O-N 3.04Å; F132-V209 HydrophobicContact CE2-CG2 3.65Å; F132-V209 HydrophobicContact CZ-CG2 3.51Å; V207-V209 HydrophobicContact CG1-CG1 3.96Å; V209-A267 VanDerWaalsContact CA-O 3.24Å; V209-A267 WeakPolarHBondContact CA-O 3.25Å; V209-F268 HydrophobicContact CG1-CB 4.16Å; V209-F268 HydrophobicContact CG1-CD1 3.66Å; V209-F268 HydrophobicContact CG1-CD2 4.02Å; V209-F268 HydrophobicContact CG1-CE1 4.05Å; V209-F268 HydrophobicContact CG1-CE2 4.37Å; V209-F268 HydrophobicContact CG1-CG 3.67Å; V209-F268 HydrophobicContact CG1-CZ 4.39Å; V209-F340 HydrophobicContact CB-CE1 4.14Å; V209-F340 HydrophobicContact CB-CZ 3.95Å; V209-F340 HydrophobicContact CG1-CE1 4.16Å; V209-F340 HydrophobicContact CG1-CZ 4.29Å; V209-F340 HydrophobicContact CG2-CZ 4.23Å
210	D	98.3	Very high	98.5	Very high	37 Å²	37	33 Å²	33	20%	0.198	17%	0.169	C	C	.	.			trans	-73.5	149.5	169.3	-76.4	8.5	0	0	0	111.8	F132 R187 M213 A267	F132-D210 WeakPolarHBondContact CE2-O 3.3Å; R187-D210 IonicContact CZ-OD1 2.65Å; R187-D210 IonicContact NH1-OD1 3.41Å; R187-D210 PolarHBondContact NH1-OD1 3.43Å; R187-D210 IonicContact NH2-OD1 2.68Å; D210-M213 HydrophobicContact CB-CG 4.12Å; D210-A267 HydrophobicContact CB-CB 3.87Å; D210-A267 PolarHBondContact N-O 3.29Å; D210-A267 VanDerWaalsContact N-O 3.13Å; D210-A267 WeakPolarHBondContact OD2-CB 3.34Å
211	V	98.5	Very high	98.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	14%	0.144	C	C	.	.	S	Bend	trans	-87	-26.1	-174.2	72.9	0	0	0	0	113.5	V119 F120 A121 Y125 F128 L129 F132 M213	V119-V211 HydrophobicContact CG2-CB 3.4Å; V119-V211 VanDerWaalsContact CG2-CB 3.4Å; V119-V211 HydrophobicContact CG2-CG2 3.54Å; F120-V211 WeakPolarHBondContact O-CG1 3.25Å; A121-V211 HydrophobicContact CB-CG2 4.34Å; Y125-V211 HydrophobicContact CD1-CG1 3.77Å; Y125-V211 HydrophobicContact CG-CG1 4.36Å; F128-V211 HydrophobicContact CB-CG1 4.28Å; F128-V211 HydrophobicContact CB-CG2 4.11Å; F128-V211 VanDerWaalsContact CB-O 3.32Å; F128-V211 WeakPolarHBondContact CB-O 3.31Å; F128-V211 HydrophobicContact CD2-CG1 4.22Å; L129-V211 HydrophobicContact CD2-CG2 3.77Å; L129-V211 HydrophobicContact CG-CG2 4.15Å; F132-V211 HydrophobicContact CB-CG2 4.37Å; F132-V211 HydrophobicContact CG-CG2 4.35Å; V211-M213 PolarHBondContact O-N 2.71Å
212	D	97.9	Very high	98.7	Very high	13 Å²	13	23.4 Å²	23.4	7%	0.07	11%	0.111	C	C	.	.	S	Bend	trans	-81.6	45.9	-176.6	50.1	-51.1	0	0	0	112.3	Y125 F128 V343 K345	Y125-D212 HydrophobicContact CD1-CB 4.23Å; Y125-D212 HydrophobicContact CE1-CB 4.08Å; F128-D212 HydrophobicContact CD1-CB 4.09Å; F128-D212 HydrophobicContact CD2-CB 3.7Å; F128-D212 HydrophobicContact CE1-CB 4.07Å; F128-D212 HydrophobicContact CE2-CB 3.67Å; F128-D212 HydrophobicContact CG-CB 3.91Å; F128-D212 HydrophobicContact CZ-CB 3.87Å; D212-V343 PolarHBondContact O-N 3.05Å; D212-K345 HydrophobicContact CB-CD 4.15Å; D212-K345 WeakPolarHBondContact OD2-CD 3.32Å; D212-K345 WeakPolarHBondContact OD2-CE 2.95Å; D212-K345 IonicContact OD2-NZ 3.65Å; D212-K345 PolarHBondContact OD2-NZ 2.81Å
213	M	98.5	Very high	98.7	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.044	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.4	-170	-57.5	-68.4	-65.7	0	0	109.2	D210 V211 L323 F340 T341 A342	D210-M213 HydrophobicContact CB-CG 4.12Å; V211-M213 PolarHBondContact O-N 2.71Å; M213-L323 HydrophobicContact CE-CD1 3.92Å; M213-L323 HydrophobicContact CE-CG 3.75Å; M213-F340 HydrophobicContact CB-CD1 4.44Å; M213-F340 HydrophobicContact CB-CD2 4.1Å; M213-F340 HydrophobicContact CB-CE1 3.77Å; M213-F340 HydrophobicContact CB-CE2 3.35Å; M213-F340 HydrophobicContact CB-CZ 3.17Å; M213-F340 HydrophobicContact CE-CD1 3.57Å; M213-F340 HydrophobicContact CE-CE1 3.6Å; M213-F340 HydrophobicContact CE-CG 4.21Å; M213-F340 HydrophobicContact CE-CZ 4.25Å; M213-F340 HydrophobicContact CG-CE1 3.75Å; M213-F340 HydrophobicContact CG-CE2 4.25Å; M213-F340 HydrophobicContact CG-CZ 3.57Å; M213-T341 CarbonylContact C-O 3.3Å; M213-T341 VanDerWaalsContact CA-O 3.29Å; M213-T341 WeakPolarHBondContact CA-O 3.49Å; M213-T341 VanDerWaalsContact CE-C 3.49Å; M213-A342 VanDerWaalsContact SD-CA 3.51Å; M213-A342 HydrophobicContact SD-CB 4Å
214	E	98.8	Very high	98.7	Very high	33 Å²	33	20.3 Å²	20.3	15%	0.154	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.6	173.3	65.7	175.9	161.4	0	0	111	L131 T135 R216 F340 T341 V343	L131-E214 HydrophobicContact CD2-CB 4.04Å; L131-E214 HydrophobicContact CG-CB 3.95Å; T135-E214 HydrophobicContact CG2-CB 4.32Å; E214-R216 HydrophobicContact CG-CG 4.17Å; E214-R216 IonicContact OE1-CZ 3.35Å; E214-R216 IonicContact OE1-NE 3.34Å; E214-R216 PolarHBondContact OE1-NE 3.38Å; E214-R216 IonicContact OE1-NH2 3.95Å; E214-R216 PolarHBondContact OE1-NH2 3.08Å; E214-F340 CarbonylContact O-C 3.55Å; E214-F340 WeakPolarHBondContact O-CA 3.36Å; E214-F340 WeakPolarHBondContact O-CD2 3.3Å; E214-T341 WeakPolarHBondContact CG-OG1 3.37Å; E214-T341 PolarHBondContact N-O 3.43Å; E214-T341 PolarHBondContact O-N 3.01Å; E214-V343 HydrophobicContact CB-CG2 4.12Å; E214-V343 HydrophobicContact CG-CG2 4.25Å
215	F	98.9	Very high	98.7	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.013	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	137.2	171.3	-59.4	-97.9	0	0	0	110.2	L117 F132 T135 A136 H139 F140 V219 R339 F340	L117-F215 HydrophobicContact CD2-CZ 4.35Å; F132-F215 HydrophobicContact CD2-CE2 4.28Å; F132-F215 AromaticContact CE2-CE2 3.9Å; F132-F215 HydrophobicContact CE2-CE2 3.9Å; F132-F215 HydrophobicContact CE2-CZ 4.43Å; F132-F215 HydrophobicContact CZ-CE2 4.06Å; F132-F215 HydrophobicContact CZ-CZ 4.48Å; T135-F215 WeakPolarHBondContact CB-O 3.48Å; T135-F215 WeakPolarHBondContact CG2-O 3.39Å; T135-F215 PolarHBondContact OG1-N 3.32Å; A136-F215 HydrophobicContact CB-CD2 3.81Å; A136-F215 HydrophobicContact CB-CE2 3.67Å; A136-F215 HydrophobicContact CB-CZ 4.47Å; H139-F215 HydrophobicContact CB-CB 3.71Å; H139-F215 HydrophobicContact CB-CG 4.47Å; H139-F215 PolarHBondContact CD2-O 2.63Å; F140-F215 HydrophobicContact CB-CD1 4.45Å; F140-F215 HydrophobicContact CB-CE1 4.17Å; F140-F215 HydrophobicContact CB-CZ 4.34Å; F140-F215 AromaticContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CZ 4.21Å; F140-F215 HydrophobicContact CG-CE1 4.43Å; F140-F215 HydrophobicContact CG-CZ 4.47Å; F215-V219 HydrophobicContact CD1-CB 4.26Å; F215-V219 HydrophobicContact CD1-CG2 3.9Å; F215-V219 HydrophobicContact CE1-CB 4.28Å; F215-V219 HydrophobicContact CE1-CG1 4.46Å; F215-V219 HydrophobicContact CE1-CG2 4.17Å; F215-R339 CarbonylContact C-O 3.42Å; F215-R339 WeakPolarHBondContact CA-O 3.43Å; F215-F340 HydrophobicContact CD1-CB 4.22Å; F215-F340 AromaticContact CD1-CD2 3.6Å; F215-F340 HydrophobicContact CD1-CD2 3.6Å; F215-F340 HydrophobicContact CD1-CE2 4.31Å; F215-F340 HydrophobicContact CD1-CG 4.26Å; F215-F340 AromaticContact CD2-CD2 3.84Å; F215-F340 HydrophobicContact CD2-CD2 3.84Å; F215-F340 AromaticContact CD2-CE2 3.93Å; F215-F340 HydrophobicContact CD2-CE2 3.93Å; F215-F340 HydrophobicContact CE1-CB 4.45Å; F215-F340 AromaticContact CE1-CD2 3.57Å; F215-F340 HydrophobicContact CE1-CD2 3.57Å; F215-F340 AromaticContact CE1-CE2 3.95Å; F215-F340 HydrophobicContact CE1-CE2 3.95Å; F215-F340 HydrophobicContact CE1-CG 4.18Å; F215-F340 AromaticContact CE2-CD2 3.81Å; F215-F340 HydrophobicContact CE2-CD2 3.81Å; F215-F340 AromaticContact CE2-CE2 3.53Å; F215-F340 HydrophobicContact CE2-CE2 3.53Å; F215-F340 AromaticContact CG-CD2 3.74Å; F215-F340 HydrophobicContact CG-CD2 3.74Å; F215-F340 HydrophobicContact CG-CE2 4.3Å; F215-F340 AromaticContact CZ-CD2 3.68Å; F215-F340 HydrophobicContact CZ-CD2 3.68Å; F215-F340 AromaticContact CZ-CE2 3.54Å; F215-F340 HydrophobicContact CZ-CE2 3.54Å; F215-F340 HydrophobicContact CZ-CZ 4.35Å
216	R	98.7	Very high	98.7	Very high	102 Å²	102	18.3 Å²	18.3	39%	0.385	9%	0.091	S	C	.	.			trans	-128.2	-17.9	-178.2	-67.3	-173.3	176.2	178.2	6.7	114.1	E214 L338 R339 T341	E214-R216 HydrophobicContact CG-CG 4.17Å; E214-R216 IonicContact OE1-CZ 3.35Å; E214-R216 IonicContact OE1-NE 3.34Å; E214-R216 PolarHBondContact OE1-NE 3.38Å; E214-R216 IonicContact OE1-NH2 3.95Å; E214-R216 PolarHBondContact OE1-NH2 3.08Å; R216-L338 WeakPolarHBondContact CB-O 3.45Å; R216-R339 PolarHBondContact N-O 2.84Å; R216-T341 VanDerWaalsContact CD-OG1 3.31Å; R216-T341 WeakPolarHBondContact CD-OG1 3.42Å; R216-T341 PolarHBondContact NE-OG1 3.3Å; R216-T341 VanDerWaalsContact NE-OG1 3.09Å
217	D	98.8	Very high	98.7	Very high	45 Å²	45	18.5 Å²	18.5	24%	0.241	9%	0.092	C	C	.	.	S	Bend	trans	-151.2	169.3	176.7	-154.8	-35.4	0	0	0	108.9	V219 K337 R339	D217-V219 PolarHBondContact O-N 2.85Å; D217-K337 IonicContact OD1-NZ 2.83Å; D217-K337 PolarHBondContact OD1-NZ 3.22Å; D217-K337 VanDerWaalsContact OD2-CD 3.3Å; D217-K337 WeakPolarHBondContact OD2-CD 3.41Å; D217-K337 VanDerWaalsContact OD2-CG 3.24Å; D217-K337 WeakPolarHBondContact OD2-CG 3.11Å; D217-K337 IonicContact OD2-NZ 2.68Å; D217-K337 PolarHBondContact OD2-NZ 3.42Å; D217-R339 HydrophobicContact CB-CB 4.41Å; D217-R339 HydrophobicContact CB-CG 4.27Å; D217-R339 PolarHBondContact N-O 3.31Å
218	H	98.8	Very high	98.7	Very high	50 Å²	50	18.5 Å²	18.5	23%	0.231	9%	0.093	C	C	.	.			trans	-47.6	124.5	-176.2	175.2	88.7	0	0	0	114	I101 G220 E222 R339	I101-H218 WeakPolarHBondContact CD1-NE2 3.44Å; H218-G220 WeakPolarHBondContact NE2-CA 3.22Å; H218-G220 PolarHBondContact NE2-N 2.66Å; H218-E222 IonicContact CD2-OE1 3.22Å; H218-E222 PolarHBondContact CD2-OE1 2.98Å; H218-E222 IonicContact CD2-OE2 2.69Å; H218-E222 IonicContact CE1-OE2 3.17Å; H218-E222 IonicContact NE2-OE1 3.72Å; H218-E222 PolarHBondContact NE2-OE1 2.9Å; H218-E222 IonicContact NE2-OE2 2.72Å; H218-E222 PolarHBondContact NE2-OE2 2.63Å; H218-R339 WeakPolarHBondContact O-CD 3.47Å; H218-R339 PolarHBondContact O-NH1 3.15Å
219	V	98.9	Very high	98.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-126.6	100.7	165.5	178.2	0	0	0	0	107.4	H139 F140 M141 F215 D217 I223 F268 Y322 R339	H139-V219 PolarHBondContact O-N 3.36Å; F140-V219 CarbonylContact C-O 3.53Å; F140-V219 WeakPolarHBondContact CA-O 3.22Å; F140-V219 HydrophobicContact CD2-CB 4.39Å; F140-V219 HydrophobicContact CD2-CG1 4Å; F140-V219 HydrophobicContact CE2-CG1 4.35Å; M141-V219 PolarHBondContact N-O 2.74Å; F215-V219 HydrophobicContact CD1-CB 4.26Å; F215-V219 HydrophobicContact CD1-CG2 3.9Å; F215-V219 HydrophobicContact CE1-CB 4.28Å; F215-V219 HydrophobicContact CE1-CG1 4.46Å; F215-V219 HydrophobicContact CE1-CG2 4.17Å; D217-V219 PolarHBondContact O-N 2.85Å; V219-I223 HydrophobicContact CG1-CD1 3.94Å; V219-I223 HydrophobicContact CG1-CG2 4.48Å; V219-F268 HydrophobicContact CG1-CZ 4.07Å; V219-Y322 HydrophobicContact CG1-CD1 4.14Å; V219-Y322 HydrophobicContact CG1-CE1 4.22Å; V219-Y322 HydrophobicContact CG2-CD1 4.12Å; V219-Y322 HydrophobicContact CG2-CE1 4.32Å; V219-R339 HydrophobicContact CG2-CB 3.64Å
220	G	98.8	Very high	98.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	9%	0.092	C	C	.	.			trans	-128.1	-158.7	-171.6	0	0	0	0	0	114.2	M141 H218 E222 I223	M141-G220 VanDerWaalsContact CE-O 3.23Å; M141-G220 WeakPolarHBondContact CE-O 3.47Å; H218-G220 WeakPolarHBondContact NE2-CA 3.22Å; H218-G220 PolarHBondContact NE2-N 2.66Å; G220-E222 WeakPolarHBondContact CA-OE2 3.48Å; G220-E222 PolarHBondContact N-OE1 3.16Å; G220-E222 PolarHBondContact N-OE2 3.21Å; G220-E222 PolarHBondContact O-N 3.47Å; G220-I223 WeakPolarHBondContact O-CG1 3.42Å; G220-I223 PolarHBondContact O-N 3.13Å; G220-I223 VanDerWaalsContact O-N 3.15Å
221	V	98.7	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-64.8	-9.5	-172.8	-64.2	0	0	0	0	114.3	I101 L104 N105 F108 M141 H144 I223 L224	I101-V221 HydrophobicContact CD1-CG2 4.26Å; L104-V221 HydrophobicContact CB-CG2 3.86Å; N105-V221 WeakPolarHBondContact OD1-CG2 3.41Å; F108-V221 HydrophobicContact CB-CB 4.17Å; F108-V221 HydrophobicContact CB-CG1 3.94Å; F108-V221 HydrophobicContact CB-CG2 4.42Å; F108-V221 HydrophobicContact CD2-CB 3.59Å; F108-V221 HydrophobicContact CD2-CG1 4.29Å; F108-V221 HydrophobicContact CD2-CG2 3.82Å; F108-V221 HydrophobicContact CE2-CB 4.12Å; F108-V221 HydrophobicContact CG-CB 3.92Å; F108-V221 HydrophobicContact CG-CG1 4.11Å; F108-V221 HydrophobicContact CG-CG2 4.4Å; M141-V221 HydrophobicContact SD-CG1 3.89Å; H144-V221 VanDerWaalsContact CE1-CG1 3.45Å; H144-V221 WeakPolarHBondContact CE1-CG1 3.41Å; H144-V221 WeakPolarHBondContact NE2-CG1 3.15Å; V221-I223 PolarHBondContact O-N 3.14Å; V221-L224 HydrophobicContact CB-CD1 4.02Å; V221-L224 HydrophobicContact CB-CG 4.45Å; V221-L224 HydrophobicContact CG1-CD1 3.76Å; V221-L224 PolarHBondContact O-N 3.15Å; V221-L224 VanDerWaalsContact O-N 3.1Å
222	E	98.8	Very high	98.8	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.014	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23.8	170.8	74.9	-76.4	174.6	0	0	113.6	V94 F99 I101 L104 H218 G220 K316 Y322	V94-E222 HydrophobicContact CG1-CB 4.35Å; V94-E222 HydrophobicContact CG1-CG 3.8Å; F99-E222 HydrophobicContact CB-CB 4.5Å; F99-E222 HydrophobicContact CD1-CB 4.19Å; F99-E222 HydrophobicContact CD1-CG 4.19Å; F99-E222 HydrophobicContact CD2-CB 3.8Å; F99-E222 HydrophobicContact CD2-CG 4.15Å; F99-E222 HydrophobicContact CE1-CB 4.36Å; F99-E222 HydrophobicContact CE1-CG 3.88Å; F99-E222 HydrophobicContact CE2-CB 3.99Å; F99-E222 HydrophobicContact CE2-CG 3.83Å; F99-E222 HydrophobicContact CG-CB 3.91Å; F99-E222 HydrophobicContact CG-CG 4.33Å; F99-E222 HydrophobicContact CZ-CB 4.28Å; F99-E222 HydrophobicContact CZ-CG 3.7Å; I101-E222 WeakPolarHBondContact CD1-OE2 3.48Å; L104-E222 HydrophobicContact CD1-CB 3.65Å; H218-E222 IonicContact CD2-OE1 3.22Å; H218-E222 PolarHBondContact CD2-OE1 2.98Å; H218-E222 IonicContact CD2-OE2 2.69Å; H218-E222 IonicContact CE1-OE2 3.17Å; H218-E222 IonicContact NE2-OE1 3.72Å; H218-E222 PolarHBondContact NE2-OE1 2.9Å; H218-E222 IonicContact NE2-OE2 2.72Å; H218-E222 PolarHBondContact NE2-OE2 2.63Å; G220-E222 WeakPolarHBondContact CA-OE2 3.48Å; G220-E222 PolarHBondContact N-OE1 3.16Å; G220-E222 PolarHBondContact N-OE2 3.21Å; G220-E222 PolarHBondContact O-N 3.47Å; E222-K316 WeakPolarHBondContact O-CD 3.44Å; E222-K316 PolarHBondContact O-NZ 2.73Å; E222-Y322 WeakPolarHBondContact CG-OH 3.37Å; E222-Y322 WeakPolarHBondContact OE1-CE1 3.33Å; E222-Y322 PolarHBondContact OE1-OH 3.12Å
223	I	98.9	Very high	98.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-81	-22.9	175.9	80.7	-178	0	0	0	112.9	M141 V207 V219 G220 V221 F228 F268 L318 Y322	M141-I223 HydrophobicContact CE-CD1 3.64Å; M141-I223 HydrophobicContact CE-CG1 3.68Å; V207-I223 HydrophobicContact CG2-CD1 4Å; V219-I223 HydrophobicContact CG1-CD1 3.94Å; V219-I223 HydrophobicContact CG1-CG2 4.48Å; G220-I223 WeakPolarHBondContact O-CG1 3.42Å; G220-I223 PolarHBondContact O-N 3.13Å; G220-I223 VanDerWaalsContact O-N 3.15Å; V221-I223 PolarHBondContact O-N 3.14Å; I223-F228 HydrophobicContact CD1-CZ 4.15Å; I223-F228 HydrophobicContact CG1-CE1 4.39Å; I223-F228 HydrophobicContact CG1-CZ 4.44Å; I223-F228 WeakPolarHBondContact O-CD1 3.28Å; I223-F268 HydrophobicContact CD1-CE1 4.06Å; I223-F268 HydrophobicContact CD1-CZ 3.98Å; I223-L318 HydrophobicContact CB-CD1 3.93Å; I223-L318 HydrophobicContact CB-CD2 3.75Å; I223-L318 HydrophobicContact CB-CG 4.5Å; I223-L318 HydrophobicContact CG2-CD1 3.83Å; I223-L318 HydrophobicContact CG2-CD2 3.76Å; I223-L318 HydrophobicContact CG2-CG 4.47Å; I223-Y322 HydrophobicContact CG2-CD1 3.8Å; I223-Y322 HydrophobicContact CG2-CE1 3.35Å
224	L	98.9	Very high	98.7	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.016	11%	0.107	C	C	.	.			trans	-70.7	132.2	-170.3	-60.5	-178.3	0	0	0	112.2	F108 T113 I115 M141 Y205 V221 K316	F108-L224 HydrophobicContact CD1-CD1 3.99Å; F108-L224 HydrophobicContact CE1-CB 3.81Å; F108-L224 HydrophobicContact CE1-CD1 4Å; F108-L224 HydrophobicContact CZ-CB 3.78Å; T113-L224 HydrophobicContact CG2-CD1 4.13Å; I115-L224 HydrophobicContact CD1-CD1 4.22Å; I115-L224 HydrophobicContact CG1-CD1 3.77Å; I115-L224 HydrophobicContact CG1-CD2 4.18Å; I115-L224 HydrophobicContact CG2-CD2 4.34Å; M141-L224 HydrophobicContact CE-CD1 4.41Å; M141-L224 HydrophobicContact CE-CD2 3.73Å; M141-L224 HydrophobicContact CE-CG 3.97Å; M141-L224 HydrophobicContact SD-CD1 4.4Å; Y205-L224 HydrophobicContact CD1-CB 4.29Å; Y205-L224 HydrophobicContact CD1-CD2 4.29Å; Y205-L224 HydrophobicContact CD2-CD1 4.11Å; Y205-L224 HydrophobicContact CD2-CD2 4.42Å; Y205-L224 HydrophobicContact CE1-CB 4.35Å; Y205-L224 HydrophobicContact CG-CB 4.42Å; Y205-L224 HydrophobicContact CG-CD1 4.43Å; Y205-L224 HydrophobicContact CG-CD2 3.92Å; Y205-L224 HydrophobicContact CG-CG 4.48Å; V221-L224 HydrophobicContact CB-CD1 4.02Å; V221-L224 HydrophobicContact CB-CG 4.45Å; V221-L224 HydrophobicContact CG1-CD1 3.76Å; V221-L224 PolarHBondContact O-N 3.15Å; V221-L224 VanDerWaalsContact O-N 3.1Å; L224-K316 WeakPolarHBondContact O-CE 3.31Å; L224-K316 PolarHBondContact O-NZ 2.94Å
225	T	98.8	Very high	98.7	Very high	16 Å²	16	20.7 Å²	20.7	10%	0.098	11%	0.108	C	C	.	.	S	Bend	trans	-172.4	167.1	-174.1	-165.3	0	0	0	0	108.3	Y205 L227 F228 G271 S272 T315 K316	Y205-T225 WeakPolarHBondContact CE1-O 3.41Å; T225-L227 VanDerWaalsContact C-N 3.35Å; T225-L227 VanDerWaalsContact CG2-O 3.32Å; T225-L227 WeakPolarHBondContact CG2-O 3.49Å; T225-L227 PolarHBondContact O-N 3.22Å; T225-F228 HydrophobicContact CG2-CB 3.8Å; T225-F228 HydrophobicContact CG2-CD1 4.15Å; T225-F228 HydrophobicContact CG2-CG 4.47Å; T225-G271 CarbonylContact O-C 3.57Å; T225-G271 WeakPolarHBondContact O-CA 3.25Å; T225-S272 PolarHBondContact O-N 2.99Å; T225-T315 WeakPolarHBondContact CG2-OG1 3.45Å; T225-T315 WeakPolarHBondContact OG1-CB 3.44Å; T225-T315 PolarHBondContact OG1-OG1 3.05Å; T225-K316 HydrophobicContact CG2-CB 3.77Å; T225-K316 HydrophobicContact CG2-CD 4.03Å; T225-K316 HydrophobicContact CG2-CG 3.83Å
226	P	98.8	Very high	98.6	Very high	64 Å²	64	24.6 Å²	24.6	42%	0.416	12%	0.123	S	C	.	.	S	Bend	trans	-52.1	-46.3	175	-32.5	38.5	0	0	0	114.3	G271 S272 E275 T315	P226-G271 CarbonylContact O-C 3.54Å; P226-G271 WeakPolarHBondContact O-CA 3.15Å; P226-S272 PolarHBondContact O-N 3.38Å; P226-E275 HydrophobicContact CB-CG 4.22Å; P226-E275 WeakPolarHBondContact O-CB 3.33Å; P226-E275 VanDerWaalsContact O-CG 3.31Å; P226-E275 WeakPolarHBondContact O-CG 3.41Å; P226-T315 HydrophobicContact CB-CG2 4.39Å; P226-T315 WeakPolarHBondContact CD-OG1 3.39Å
227	L	98.9	Very high	98.5	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	132.4	177.3	178.3	62.7	0	0	0	111.7	T225 E275 L279 Y308 L309 P314 T315 K316	T225-L227 VanDerWaalsContact C-N 3.35Å; T225-L227 VanDerWaalsContact CG2-O 3.32Å; T225-L227 WeakPolarHBondContact CG2-O 3.49Å; T225-L227 PolarHBondContact O-N 3.22Å; L227-E275 HydrophobicContact CB-CB 4.26Å; L227-E275 HydrophobicContact CB-CG 4.39Å; L227-L279 HydrophobicContact CD1-CD1 3.7Å; L227-Y308 HydrophobicContact CD2-CE1 4.03Å; L227-L309 HydrophobicContact CD1-CD2 4.29Å; L227-L309 HydrophobicContact CD2-CD2 3.93Å; L227-L309 HydrophobicContact CG-CD2 4.14Å; L227-P314 HydrophobicContact CG-CB 4.25Å; L227-P314 CarbonylContact O-C 3.52Å; L227-P314 WeakPolarHBondContact O-CA 2.83Å; L227-T315 PolarHBondContact N-OG1 3.23Å; L227-T315 PolarHBondContact O-N 2.88Å; L227-T315 PolarHBondContact O-OG1 3.31Å; L227-K316 PolarHBondContact O-N 2.8Å
228	F	98.9	Very high	98.5	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.3	172	72.6	-95.3	0	0	0	113.8	V207 I223 T225 F268 F269 G270 K316 L318	V207-F228 HydrophobicContact CG1-CZ 4.36Å; V207-F228 HydrophobicContact CG2-CE1 4.44Å; V207-F228 HydrophobicContact CG2-CZ 4.18Å; I223-F228 HydrophobicContact CD1-CZ 4.15Å; I223-F228 HydrophobicContact CG1-CE1 4.39Å; I223-F228 HydrophobicContact CG1-CZ 4.44Å; I223-F228 WeakPolarHBondContact O-CD1 3.28Å; T225-F228 HydrophobicContact CG2-CB 3.8Å; T225-F228 HydrophobicContact CG2-CD1 4.15Å; T225-F228 HydrophobicContact CG2-CG 4.47Å; F228-F268 AromaticContact CE2-CD1 3.69Å; F228-F268 HydrophobicContact CE2-CD1 3.69Å; F228-F268 AromaticContact CE2-CE1 3.59Å; F228-F268 HydrophobicContact CE2-CE1 3.59Å; F228-F268 HydrophobicContact CZ-CD1 4.25Å; F228-F268 AromaticContact CZ-CE1 3.84Å; F228-F268 HydrophobicContact CZ-CE1 3.84Å; F228-F269 VanDerWaalsContact CE2-C 3.4Å; F228-G270 VanDerWaalsContact CD1-C 3.44Å; F228-G270 WeakPolarHBondContact CD1-O 3.28Å; F228-G270 VanDerWaalsContact CE1-CA 3.41Å; F228-G270 VanDerWaalsContact CZ-CA 3.47Å; F228-G270 PolarHBondContact N-O 2.82Å; F228-G270 PolarHBondContact O-N 3.2Å; F228-K316 VanDerWaalsContact CA-O 3.27Å; F228-K316 WeakPolarHBondContact CA-O 3.49Å; F228-K316 HydrophobicContact CB-CB 4.34Å; F228-K316 VanDerWaalsContact CB-O 3.3Å; F228-K316 WeakPolarHBondContact CB-O 3.4Å; F228-L318 HydrophobicContact CD2-CD1 3.62Å; F228-L318 HydrophobicContact CD2-CD2 4.48Å; F228-L318 HydrophobicContact CD2-CG 3.79Å; F228-L318 HydrophobicContact CE2-CD1 3.59Å; F228-L318 HydrophobicContact CE2-CG 4.29Å; F228-L318 HydrophobicContact CG-CG 4.47Å; F228-L318 HydrophobicContact CZ-CD1 4.47Å
229	G	98.9	Very high	98.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.5	166.9	0	0	0	0	0	110.6	V317 L318	G229-V317 WeakPolarHBondContact O-CA 3.41Å; G229-L318 PolarHBondContact O-N 2.85Å
230	T	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.6	-177.5	-53.2	0	0	0	0	110.9	H232 Y264 M265 F268 L318 L323	T230-H232 PolarHBondContact O-N 3.25Å; T230-Y264 CarbonylContact O-C 3.49Å; T230-Y264 VanDerWaalsContact O-CA 3.24Å; T230-Y264 WeakPolarHBondContact O-CA 3.48Å; T230-M265 PolarHBondContact O-N 3.24Å; T230-F268 VanDerWaalsContact CB-O 3.27Å; T230-F268 WeakPolarHBondContact CB-O 3.42Å; T230-F268 PolarHBondContact N-O 3.1Å; T230-F268 PolarHBondContact OG1-O 2.8Å; T230-L318 HydrophobicContact CG2-CB 4Å; T230-L323 HydrophobicContact CG2-CB 3.86Å
231	L	98.9	Very high	98.2	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	126.6	174.8	-67.7	-177.7	0	0	0	110.6	I93 F262 V317 L318 P320	I93-L231 HydrophobicContact CG2-CD1 4.3Å; L231-F262 HydrophobicContact CD2-CB 3.48Å; L231-F262 VanDerWaalsContact CD2-CB 3.48Å; L231-F262 HydrophobicContact CD2-CD1 3.61Å; L231-F262 HydrophobicContact CD2-CD2 4.38Å; L231-F262 HydrophobicContact CD2-CE1 4.42Å; L231-F262 HydrophobicContact CD2-CG 3.58Å; L231-V317 HydrophobicContact CD1-CG1 4.33Å; L231-V317 HydrophobicContact CD2-CG1 3.71Å; L231-V317 HydrophobicContact CG-CG1 3.66Å; L231-L318 WeakPolarHBondContact CG-O 3.5Å; L231-L318 PolarHBondContact N-O 2.92Å; L231-P320 HydrophobicContact CB-CG 4.05Å
232	H	98.7	Very high	98.2	Very high	25 Å²	25	36.4 Å²	36.4	12%	0.116	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66.7	131.6	178.3	-175.3	-64.1	0	0	0	111	T230 S234 F235 Y236 Y263 M265 E302	T230-H232 PolarHBondContact O-N 3.25Å; H232-S234 VanDerWaalsContact C-N 3.32Å; H232-S234 PolarHBondContact CE1-OG 2.7Å; H232-S234 PolarHBondContact ND1-N 3.03Å; H232-S234 VanDerWaalsContact ND1-N 3.11Å; H232-S234 PolarHBondContact O-N 3.24Å; H232-F235 HydrophobicContact CB-CB 4.48Å; H232-F235 HydrophobicContact CB-CD2 4.24Å; H232-F235 AromaticContact CE1-CD2 3.82Å; H232-F235 AromaticContact CE1-CE2 3.98Å; H232-F235 AromaticContact CG-CD2 3.75Å; H232-F235 AromaticContact ND1-CD2 3.42Å; H232-F235 WeakPolarHBondContact ND1-CD2 3.37Å; H232-F235 PolarHBondContact O-N 2.84Å; H232-Y236 PolarHBondContact O-N 3.28Å; H232-Y263 HydrophobicContact CB-CD1 3.59Å; H232-Y263 HydrophobicContact CB-CE1 4.28Å; H232-Y263 WeakPolarHBondContact CB-O 3.36Å; H232-Y263 AromaticContact CD2-CD1 3.85Å; H232-Y263 AromaticContact CD2-CE1 3.62Å; H232-Y263 AromaticContact CG-CD1 3.78Å; H232-Y263 PolarHBondContact N-O 2.82Å; H232-M265 HydrophobicContact CB-CB 4.31Å; H232-M265 HydrophobicContact CB-SD 4.41Å; H232-M265 PolarHBondContact CD2-SD 3.3Å; H232-E302 IonicContact CD2-OE2 3.46Å
233	P	98.2	Very high	98.2	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.058	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.3	-168.9	28.5	-39	0	0	0	114.4	Y236 P320 L323 W324 L329	P233-Y236 WeakPolarHBondContact O-CD1 3.45Å; P233-Y236 WeakPolarHBondContact O-CE1 3.47Å; P233-P320 HydrophobicContact CB-CB 4.34Å; P233-L323 WeakPolarHBondContact CB-O 3.33Å; P233-L323 HydrophobicContact CG-CD2 3.91Å; P233-W324 HydrophobicContact CB-CD2 4.2Å; P233-W324 HydrophobicContact CB-CE3 3.31Å; P233-W324 HydrophobicContact CB-CH2 4.45Å; P233-W324 HydrophobicContact CB-CZ3 3.46Å; P233-W324 VanDerWaalsContact CB-CZ3 3.46Å; P233-L329 HydrophobicContact CB-CD1 3.61Å; P233-L329 HydrophobicContact CG-CD1 4.15Å
234	S	97.5	Very high	98.2	Very high	62 Å²	62	39.1 Å²	39.1	43%	0.434	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.5	173.5	-44.2	0	0	0	0	115.4	H232	H232-S234 VanDerWaalsContact C-N 3.32Å; H232-S234 PolarHBondContact CE1-OG 2.7Å; H232-S234 PolarHBondContact ND1-N 3.03Å; H232-S234 VanDerWaalsContact ND1-N 3.11Å; H232-S234 PolarHBondContact O-N 3.24Å
235	F	98.3	Very high	98.2	Very high	38 Å²	38	39.4 Å²	39.4	17%	0.167	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-7	-168.1	-68.4	-69.6	0	0	0	115.5	H232 G237 S238 F243 T244 Y263	H232-F235 HydrophobicContact CB-CB 4.48Å; H232-F235 HydrophobicContact CB-CD2 4.24Å; H232-F235 AromaticContact CE1-CD2 3.82Å; H232-F235 AromaticContact CE1-CE2 3.98Å; H232-F235 AromaticContact CG-CD2 3.75Å; H232-F235 AromaticContact ND1-CD2 3.42Å; H232-F235 WeakPolarHBondContact ND1-CD2 3.37Å; H232-F235 PolarHBondContact O-N 2.84Å; F235-G237 PolarHBondContact O-N 2.76Å; F235-S238 WeakPolarHBondContact O-CB 3.22Å; F235-S238 PolarHBondContact O-N 3.32Å; F235-F243 HydrophobicContact CB-CD1 4.07Å; F235-F243 HydrophobicContact CB-CE1 4.08Å; F235-F243 HydrophobicContact CD1-CD1 4.1Å; F235-F243 HydrophobicContact CG-CD1 4.33Å; F235-F243 WeakPolarHBondContact O-CE1 3.47Å; F235-T244 HydrophobicContact CE1-CG2 4.29Å; F235-T244 HydrophobicContact CZ-CG2 3.72Å; F235-T244 WeakPolarHBondContact CZ-OG1 3.31Å; F235-Y263 HydrophobicContact CB-CD1 4.32Å; F235-Y263 HydrophobicContact CB-CG 4.37Å; F235-Y263 AromaticContact CD2-CD1 3.38Å; F235-Y263 HydrophobicContact CD2-CD1 3.38Å; F235-Y263 AromaticContact CD2-CE1 3.8Å; F235-Y263 HydrophobicContact CD2-CE1 3.8Å; F235-Y263 AromaticContact CD2-CG 3.98Å; F235-Y263 HydrophobicContact CD2-CG 3.98Å; F235-Y263 AromaticContact CE2-CD1 3.93Å; F235-Y263 HydrophobicContact CE2-CD1 3.93Å; F235-Y263 AromaticContact CE2-CE1 3.88Å; F235-Y263 HydrophobicContact CE2-CE1 3.88Å; F235-Y263 HydrophobicContact CG-CD1 4.08Å; F235-Y263 HydrophobicContact CG-CG 4.27Å
236	Y	97.1	Very high	98.2	Very high	85 Å²	85	38.9 Å²	38.9	33%	0.333	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.2	-177	73.7	-84.6	0	0	0	115.3	H232 P233 P320 W324 V334	H232-Y236 PolarHBondContact O-N 3.28Å; P233-Y236 WeakPolarHBondContact O-CD1 3.45Å; P233-Y236 WeakPolarHBondContact O-CE1 3.47Å; Y236-P320 HydrophobicContact CD1-CB 4.4Å; Y236-P320 HydrophobicContact CD1-CG 3.67Å; Y236-P320 HydrophobicContact CD2-CG 4.27Å; Y236-P320 HydrophobicContact CE1-CG 4.39Å; Y236-P320 HydrophobicContact CG-CG 3.6Å; Y236-W324 HydrophobicContact CD1-CZ3 4.29Å; Y236-W324 AromaticContact CE1-CH2 3.8Å; Y236-W324 HydrophobicContact CE1-CH2 3.8Å; Y236-W324 AromaticContact CE1-CZ3 3.74Å; Y236-W324 HydrophobicContact CE1-CZ3 3.74Å; Y236-V334 HydrophobicContact CE2-CG1 4.15Å
237	G	96.1	Very high	98.2	Very high	72 Å²	72	38.6 Å²	38.6	74%	0.742	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	6.3	173.6	0	0	0	0	0	114.6	F235	F235-G237 PolarHBondContact O-N 2.76Å
238	S	97.6	Very high	98.2	Very high	49 Å²	49	43.2 Å²	43.2	34%	0.343	24%	0.237	S	C	.	.	S	Bend	trans	-91.1	155.8	-178.3	-53.6	0	0	0	0	112.2	F235 F243	F235-S238 WeakPolarHBondContact O-CB 3.22Å; F235-S238 PolarHBondContact O-N 3.32Å; S238-F243 WeakPolarHBondContact O-CE1 3.26Å
239	S	98.1	Very high	98.2	Very high	57 Å²	57	47.2 Å²	47.2	40%	0.399	26%	0.263	S	S	.	.			trans	-79.4	156.4	171.3	57.6	0	0	0	0	112	E241 A242 F243	S239-E241 VanDerWaalsContact CB-CD 3.46Å; S239-E241 WeakPolarHBondContact CB-OE1 3.47Å; S239-E241 WeakPolarHBondContact CB-OE2 3.4Å; S239-E241 PolarHBondContact O-N 2.73Å; S239-E241 PolarHBondContact OG-OE1 2.74Å; S239-E241 PolarHBondContact OG-OE2 3.1Å; S239-A242 WeakPolarHBondContact O-CB 3.46Å; S239-A242 PolarHBondContact O-N 2.88Å; S239-F243 PolarHBondContact O-N 2.77Å
240	R	97.6	Very high	98.2	Very high	119 Å²	119	53.2 Å²	53.2	45%	0.449	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.2	-168.3	71.4	171.3	67.8	87.9	-1	114.7	A242 F243 R247 D258 G260	R240-A242 VanDerWaalsContact C-N 3.31Å; R240-F243 VanDerWaalsContact CA-CD2 3.47Å; R240-F243 HydrophobicContact CB-CD2 3.95Å; R240-F243 HydrophobicContact CB-CE2 3.97Å; R240-F243 WeakPolarHBondContact O-CB 3.46Å; R240-F243 PolarHBondContact O-N 3.02Å; R240-R247 PolarHBondContact O-NH2 2.76Å; R240-D258 WeakPolarHBondContact CD-O 3.3Å; R240-G260 PolarHBondContact NE-O 3.28Å
241	E	96.6	Very high	98.2	Very high	97 Å²	97	53.3 Å²	53.3	45%	0.453	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-24.8	176.4	66.5	-78.3	-178.7	0	0	112.2	S239 K257	S239-E241 VanDerWaalsContact CB-CD 3.46Å; S239-E241 WeakPolarHBondContact CB-OE1 3.47Å; S239-E241 WeakPolarHBondContact CB-OE2 3.4Å; S239-E241 PolarHBondContact O-N 2.73Å; S239-E241 PolarHBondContact OG-OE1 2.74Å; S239-E241 PolarHBondContact OG-OE2 3.1Å; E241-K257 HydrophobicContact CB-CD 4.03Å; E241-K257 PolarHBondContact O-NZ 3.41Å
242	A	98.1	Very high	98.2	Very high	53 Å²	53	57 Å²	57	44%	0.438	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.6	174	0	0	0	0	0	113.1	S239 R240 T244	S239-A242 WeakPolarHBondContact O-CB 3.46Å; S239-A242 PolarHBondContact O-N 2.88Å; R240-A242 VanDerWaalsContact C-N 3.31Å; A242-T244 PolarHBondContact O-N 2.86Å
243	F	98.7	Very high	98.2	Very high	13 Å²	13	55.8 Å²	55.8	6%	0.057	30%	0.304	C	S	.	.	S	Bend	trans	-58.4	134.6	174.2	-65	-17.2	0	0	0	111.6	F235 S238 S239 R240 Y245 R247 Y263	F235-F243 HydrophobicContact CB-CD1 4.07Å; F235-F243 HydrophobicContact CB-CE1 4.08Å; F235-F243 HydrophobicContact CD1-CD1 4.1Å; F235-F243 HydrophobicContact CG-CD1 4.33Å; F235-F243 WeakPolarHBondContact O-CE1 3.47Å; S238-F243 WeakPolarHBondContact O-CE1 3.26Å; S239-F243 PolarHBondContact O-N 2.77Å; R240-F243 VanDerWaalsContact CA-CD2 3.47Å; R240-F243 HydrophobicContact CB-CD2 3.95Å; R240-F243 HydrophobicContact CB-CE2 3.97Å; R240-F243 WeakPolarHBondContact O-CB 3.46Å; R240-F243 PolarHBondContact O-N 3.02Å; F243-Y245 HydrophobicContact CB-CD2 4.13Å; F243-Y245 HydrophobicContact CB-CE1 4.4Å; F243-Y245 HydrophobicContact CB-CE2 3.97Å; F243-Y245 HydrophobicContact CB-CG 4.4Å; F243-Y245 HydrophobicContact CD2-CE1 4.37Å; F243-Y245 AromaticContact CD2-CE2 3.71Å; F243-Y245 HydrophobicContact CD2-CE2 3.71Å; F243-Y245 AromaticContact CD2-CZ 3.54Å; F243-Y245 VanDerWaalsContact CD2-OH 3.27Å; F243-Y245 WeakPolarHBondContact CD2-OH 3.24Å; F243-Y245 HydrophobicContact CG-CE2 4.36Å; F243-Y245 PolarHBondContact O-N 2.51Å; F243-R247 PolarHBondContact O-NH2 3.41Å; F243-Y263 HydrophobicContact CB-CD2 3.83Å; F243-Y263 HydrophobicContact CB-CG 4.39Å; F243-Y263 HydrophobicContact CG-CD2 4.29Å; F243-Y263 HydrophobicContact CG-CG 4.43Å
244	T	98.6	Very high	98.2	Very high	47 Å²	47	58.8 Å²	58.8	29%	0.288	31%	0.314	S	S	.	.			trans	-84	34.9	-175.4	49.9	0	0	0	0	113.8	F235 A242 Y263 W299	F235-T244 HydrophobicContact CE1-CG2 4.29Å; F235-T244 HydrophobicContact CZ-CG2 3.72Å; F235-T244 WeakPolarHBondContact CZ-OG1 3.31Å; A242-T244 PolarHBondContact O-N 2.86Å; T244-Y263 VanDerWaalsContact OG1-CZ 3.29Å; T244-Y263 PolarHBondContact OG1-OH 3.46Å; T244-W299 VanDerWaalsContact CB-NE1 3.33Å; T244-W299 VanDerWaalsContact O-CD1 3.27Å; T244-W299 PolarHBondContact OG1-NE1 2.79Å
245	Y	98.9	Very high	98.3	Very high	8 Å²	8	55.8 Å²	55.8	3%	0.031	29%	0.293	C	S	.	.			trans	-55.9	157.9	170.9	-54.8	-45.9	0	0	0	111.4	F243 R247 I255 F262 Y263 N306	F243-Y245 HydrophobicContact CB-CD2 4.13Å; F243-Y245 HydrophobicContact CB-CE1 4.4Å; F243-Y245 HydrophobicContact CB-CE2 3.97Å; F243-Y245 HydrophobicContact CB-CG 4.4Å; F243-Y245 HydrophobicContact CD2-CE1 4.37Å; F243-Y245 AromaticContact CD2-CE2 3.71Å; F243-Y245 HydrophobicContact CD2-CE2 3.71Å; F243-Y245 AromaticContact CD2-CZ 3.54Å; F243-Y245 VanDerWaalsContact CD2-OH 3.27Å; F243-Y245 WeakPolarHBondContact CD2-OH 3.24Å; F243-Y245 HydrophobicContact CG-CE2 4.36Å; F243-Y245 PolarHBondContact O-N 2.51Å; Y245-R247 WeakPolarHBondContact O-CD 3.38Å; Y245-R247 VanDerWaalsContact O-CG 3.28Å; Y245-R247 WeakPolarHBondContact O-CG 3.42Å; Y245-R247 PolarHBondContact O-N 3.12Å; Y245-R247 PolarHBondContact O-NE 3.13Å; Y245-I255 HydrophobicContact CD1-CD1 3.65Å; Y245-I255 HydrophobicContact CD2-CB 3.75Å; Y245-I255 HydrophobicContact CD2-CD1 3.83Å; Y245-I255 HydrophobicContact CD2-CG1 4.39Å; Y245-I255 HydrophobicContact CD2-CG2 3.56Å; Y245-I255 HydrophobicContact CE1-CD1 3.95Å; Y245-I255 HydrophobicContact CE2-CB 4.45Å; Y245-I255 HydrophobicContact CE2-CD1 4.13Å; Y245-I255 HydrophobicContact CE2-CG2 3.84Å; Y245-I255 HydrophobicContact CG-CB 4.02Å; Y245-I255 HydrophobicContact CG-CD1 3.59Å; Y245-I255 HydrophobicContact CG-CG1 4.34Å; Y245-I255 HydrophobicContact CG-CG2 4.31Å; Y245-F262 VanDerWaalsContact OH-C 3.31Å; Y245-F262 PolarHBondContact OH-O 2.84Å; Y245-Y263 AromaticContact CD1-CD2 3.48Å; Y245-Y263 HydrophobicContact CD1-CD2 3.48Å; Y245-Y263 VanDerWaalsContact CD1-CD2 3.48Å; Y245-Y263 AromaticContact CD1-CE2 3.65Å; Y245-Y263 HydrophobicContact CD1-CE2 3.65Å; Y245-Y263 AromaticContact CE1-CD2 3.42Å; Y245-Y263 HydrophobicContact CE1-CD2 3.42Å; Y245-Y263 VanDerWaalsContact CE1-CD2 3.42Å; Y245-Y263 HydrophobicContact CE1-CE2 4.07Å; Y245-Y263 HydrophobicContact CE1-CG 4.35Å; Y245-Y263 HydrophobicContact CG-CD2 4.42Å; Y245-N306 HydrophobicContact CD1-CB 3.81Å; Y245-N306 HydrophobicContact CE1-CB 3.73Å; Y245-N306 WeakPolarHBondContact CE1-OD1 3.43Å
246	E	98.8	Very high	98.3	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.023	29%	0.293	C	S	.	.			trans	-59.3	126.4	167.3	-177.9	52.3	-106.5	0	0	110.7	R248 A253 Y254 I255 A297 V298	E246-R248 WeakPolarHBondContact OE1-CB 3.2Å; E246-R248 WeakPolarHBondContact OE1-CG 3.5Å; E246-R248 IonicContact OE1-CZ 3.28Å; E246-R248 PolarHBondContact OE1-N 2.74Å; E246-R248 IonicContact OE1-NE 3.7Å; E246-R248 PolarHBondContact OE1-NE 3.09Å; E246-R248 IonicContact OE1-NH2 3.87Å; E246-R248 IonicContact OE2-CZ 2.88Å; E246-R248 IonicContact OE2-NE 3.7Å; E246-R248 PolarHBondContact OE2-NE 3.43Å; E246-R248 IonicContact OE2-NH2 3.58Å; E246-R248 PolarHBondContact OE2-NH2 3.12Å; E246-A253 HydrophobicContact CB-CB 3.81Å; E246-A253 HydrophobicContact CG-CB 4.24Å; E246-Y254 WeakPolarHBondContact O-CA 3.28Å; E246-I255 PolarHBondContact O-N 3.4Å; E246-A297 WeakPolarHBondContact OE2-CA 3.38Å; E246-V298 HydrophobicContact CB-CG1 4.28Å; E246-V298 PolarHBondContact OE2-N 3.37Å
247	R	98.7	Very high	98.3	Very high	59 Å²	59	56.8 Å²	56.8	22%	0.223	30%	0.302	C	S	.	.			trans	-114.4	-2.3	-175.6	-53.8	-49.3	-174.4	156.1	4.4	113.4	R240 F243 Y245 P249 Y254 I255 P256	R240-R247 PolarHBondContact O-NH2 2.76Å; F243-R247 PolarHBondContact O-NH2 3.41Å; Y245-R247 WeakPolarHBondContact O-CD 3.38Å; Y245-R247 VanDerWaalsContact O-CG 3.28Å; Y245-R247 WeakPolarHBondContact O-CG 3.42Å; Y245-R247 PolarHBondContact O-N 3.12Å; Y245-R247 PolarHBondContact O-NE 3.13Å; R247-P249 WeakPolarHBondContact O-CD 3.32Å; R247-Y254 VanDerWaalsContact O-CE2 3.26Å; R247-Y254 WeakPolarHBondContact O-CE2 3.41Å; R247-I255 VanDerWaalsContact CD-O 3.32Å; R247-I255 WeakPolarHBondContact CD-O 3.42Å; R247-I255 PolarHBondContact NH1-O 3.24Å; R247-P256 VanDerWaalsContact NH1-C 3.29Å; R247-P256 PolarHBondContact NH1-O 2.97Å
248	R	98.8	Very high	98.4	Very high	101 Å²	101	59.4 Å²	59.4	38%	0.381	30%	0.299	S	S	.	.			trans	-82.6	113.9	172.6	-66.1	171.6	-69.9	170.6	0.9	109.6	E246 Q250 S251 I295 E296	E246-R248 WeakPolarHBondContact OE1-CB 3.2Å; E246-R248 WeakPolarHBondContact OE1-CG 3.5Å; E246-R248 IonicContact OE1-CZ 3.28Å; E246-R248 PolarHBondContact OE1-N 2.74Å; E246-R248 IonicContact OE1-NE 3.7Å; E246-R248 PolarHBondContact OE1-NE 3.09Å; E246-R248 IonicContact OE1-NH2 3.87Å; E246-R248 IonicContact OE2-CZ 2.88Å; E246-R248 IonicContact OE2-NE 3.7Å; E246-R248 PolarHBondContact OE2-NE 3.43Å; E246-R248 IonicContact OE2-NH2 3.58Å; E246-R248 PolarHBondContact OE2-NH2 3.12Å; R248-Q250 PolarHBondContact O-N 3.04Å; R248-S251 PolarHBondContact O-N 3.18Å; R248-S251 VanDerWaalsContact O-N 3.12Å; R248-I295 HydrophobicContact CB-CD1 4.16Å; R248-E296 PolarHBondContact NH2-O 3.39Å
249	P	98.6	Very high	98.5	Very high	85 Å²	85	59.7 Å²	59.7	55%	0.552	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.3	-177.3	-24	35.3	0	0	0	115.4	R247 S251 Y254	R247-P249 WeakPolarHBondContact O-CD 3.32Å; P249-S251 VanDerWaalsContact C-N 3.3Å; P249-Y254 HydrophobicContact CB-CD1 4.23Å; P249-Y254 HydrophobicContact CB-CE1 4.25Å; P249-Y254 HydrophobicContact CB-CG 4.39Å; P249-Y254 HydrophobicContact CG-CD2 4.35Å; P249-Y254 HydrophobicContact CG-CE1 4.29Å; P249-Y254 HydrophobicContact CG-CE2 4.01Å
250	Q	98.7	Very high	98.5	Very high	125 Å²	125	57.4 Å²	57.4	58%	0.584	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.7	176.8	-59.9	80	4.2	0	0	113.1	R248 I295	R248-Q250 PolarHBondContact O-N 3.04Å; Q250-I295 HydrophobicContact CB-CD1 4.09Å
251	S	98.9	Very high	98.5	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-88.7	140.4	179.4	166.4	0	0	0	0	111.7	R248 P249 A253 Y254 D290	R248-S251 PolarHBondContact O-N 3.18Å; R248-S251 VanDerWaalsContact O-N 3.12Å; P249-S251 VanDerWaalsContact C-N 3.3Å; S251-A253 PolarHBondContact O-N 3.44Å; S251-A253 WeakPolarHBondContact OG-CB 3.3Å; S251-A253 PolarHBondContact OG-N 2.98Å; S251-Y254 WeakPolarHBondContact O-CB 3.49Å; S251-Y254 PolarHBondContact O-N 2.85Å; S251-D290 WeakPolarHBondContact CA-OD1 3.1Å; S251-D290 VanDerWaalsContact CB-OD2 3.31Å; S251-D290 WeakPolarHBondContact CB-OD2 3.48Å; S251-D290 PolarHBondContact OG-OD2 3.38Å
252	Q	98.8	Very high	98.6	Very high	85 Å²	85	51.3 Å²	51.3	40%	0.397	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.1	169.8	-64.3	-49.5	-63.9	0	0	112.4	Y254 A286 V289 D290 K307	Q252-Y254 VanDerWaalsContact C-N 3.26Å; Q252-Y254 PolarHBondContact O-N 2.81Å; Q252-A286 HydrophobicContact CB-CB 3.79Å; Q252-A286 HydrophobicContact CG-CB 4.34Å; Q252-V289 HydrophobicContact CG-CB 3.81Å; Q252-V289 HydrophobicContact CG-CG1 3.61Å; Q252-D290 WeakPolarHBondContact CG-OD1 3.29Å; Q252-D290 PolarHBondContact N-OD1 3.41Å; Q252-D290 PolarHBondContact N-OD2 3.01Å; Q252-K307 WeakPolarHBondContact O-CG 3.27Å; Q252-K307 PolarHBondContact O-NZ 3.32Å
253	A	98.8	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.2	176.2	0	0	0	0	0	114.5	E246 S251 I255 A297	E246-A253 HydrophobicContact CB-CB 3.81Å; E246-A253 HydrophobicContact CG-CB 4.24Å; S251-A253 PolarHBondContact O-N 3.44Å; S251-A253 WeakPolarHBondContact OG-CB 3.3Å; S251-A253 PolarHBondContact OG-N 2.98Å; A253-I255 PolarHBondContact O-N 2.66Å; A253-A297 HydrophobicContact CB-CB 3.89Å
254	Y	98.9	Very high	98.7	Very high	71 Å²	71	48.5 Å²	48.5	28%	0.278	24%	0.235	S	C	.	.			trans	-53	131.6	-174.4	174.8	-118.9	0	0	0	114.3	E246 R247 P249 S251 Q252 P256 K307	E246-Y254 WeakPolarHBondContact O-CA 3.28Å; R247-Y254 VanDerWaalsContact O-CE2 3.26Å; R247-Y254 WeakPolarHBondContact O-CE2 3.41Å; P249-Y254 HydrophobicContact CB-CD1 4.23Å; P249-Y254 HydrophobicContact CB-CE1 4.25Å; P249-Y254 HydrophobicContact CB-CG 4.39Å; P249-Y254 HydrophobicContact CG-CD2 4.35Å; P249-Y254 HydrophobicContact CG-CE1 4.29Å; P249-Y254 HydrophobicContact CG-CE2 4.01Å; S251-Y254 WeakPolarHBondContact O-CB 3.49Å; S251-Y254 PolarHBondContact O-N 2.85Å; Q252-Y254 VanDerWaalsContact C-N 3.26Å; Q252-Y254 PolarHBondContact O-N 2.81Å; Y254-P256 HydrophobicContact CE1-CG 3.78Å; Y254-K307 WeakPolarHBondContact O-CE 3.43Å; Y254-K307 PolarHBondContact O-NZ 3.07Å
255	I	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.			trans	-130.2	123.6	170.3	-60.8	169.1	0	0	0	109.6	Y245 E246 R247 A253 E259 N306 K307 L310	Y245-I255 HydrophobicContact CD1-CD1 3.65Å; Y245-I255 HydrophobicContact CD2-CB 3.75Å; Y245-I255 HydrophobicContact CD2-CD1 3.83Å; Y245-I255 HydrophobicContact CD2-CG1 4.39Å; Y245-I255 HydrophobicContact CD2-CG2 3.56Å; Y245-I255 HydrophobicContact CE1-CD1 3.95Å; Y245-I255 HydrophobicContact CE2-CB 4.45Å; Y245-I255 HydrophobicContact CE2-CD1 4.13Å; Y245-I255 HydrophobicContact CE2-CG2 3.84Å; Y245-I255 HydrophobicContact CG-CB 4.02Å; Y245-I255 HydrophobicContact CG-CD1 3.59Å; Y245-I255 HydrophobicContact CG-CG1 4.34Å; Y245-I255 HydrophobicContact CG-CG2 4.31Å; E246-I255 PolarHBondContact O-N 3.4Å; R247-I255 VanDerWaalsContact CD-O 3.32Å; R247-I255 WeakPolarHBondContact CD-O 3.42Å; R247-I255 PolarHBondContact NH1-O 3.24Å; A253-I255 PolarHBondContact O-N 2.66Å; I255-E259 HydrophobicContact CG2-CB 3.79Å; I255-N306 HydrophobicContact CD1-CB 4.28Å; I255-K307 HydrophobicContact CD1-CB 4.47Å; I255-K307 HydrophobicContact CG1-CD 4.13Å; I255-L310 HydrophobicContact CB-CD2 4.39Å; I255-L310 HydrophobicContact CD1-CD2 3.98Å; I255-L310 HydrophobicContact CG1-CD2 3.81Å; I255-L310 HydrophobicContact CG2-CD2 3.72Å
256	P	98.6	Very high	98.6	Very high	24 Å²	24	47.8 Å²	47.8	16%	0.156	23%	0.231	C	C	.	.			trans	-56.3	160.1	172.5	-28.2	36.6	0	0	0	114.7	R247 Y254 D258 E259	R247-P256 VanDerWaalsContact NH1-C 3.29Å; R247-P256 PolarHBondContact NH1-O 2.97Å; Y254-P256 HydrophobicContact CE1-CG 3.78Å; P256-D258 VanDerWaalsContact C-N 3.29Å; P256-D258 WeakPolarHBondContact CB-OD1 3.38Å; P256-D258 PolarHBondContact O-N 3.13Å; P256-E259 HydrophobicContact CB-CB 4.26Å; P256-E259 HydrophobicContact CB-CG 4.13Å; P256-E259 WeakPolarHBondContact CD-OE1 3.23Å; P256-E259 HydrophobicContact CG-CG 4.17Å; P256-E259 WeakPolarHBondContact CG-OE1 3.45Å; P256-E259 PolarHBondContact O-N 2.9Å
257	K	98.2	Very high	98.5	Very high	120 Å²	120	47.6 Å²	47.6	52%	0.522	23%	0.23	S	C	.	.	S	Bend	trans	-69.7	-25.8	-175.5	-82.2	-80.3	179.9	167.9	0	113.8	E241	E241-K257 HydrophobicContact CB-CD 4.03Å; E241-K257 PolarHBondContact O-NZ 3.41Å
258	D	98.1	Very high	98.5	Very high	126 Å²	126	44.8 Å²	44.8	67%	0.674	22%	0.219	S	C	*	.	S	Bend	trans	-89.7	-14.5	176.7	55.5	-32	0	0	0	113.4	R240 P256	R240-D258 WeakPolarHBondContact CD-O 3.3Å; P256-D258 VanDerWaalsContact C-N 3.29Å; P256-D258 WeakPolarHBondContact CB-OD1 3.38Å; P256-D258 PolarHBondContact O-N 3.13Å
259	E	98.6	Very high	98.5	Very high	56 Å²	56	40 Å²	40	26%	0.262	20%	0.201	S	C	.	.			trans	-92.1	154.7	173.2	-69.8	-158.7	-110.7	0	0	113.1	I255 P256 L310 R311	I255-E259 HydrophobicContact CG2-CB 3.79Å; P256-E259 HydrophobicContact CB-CB 4.26Å; P256-E259 HydrophobicContact CB-CG 4.13Å; P256-E259 WeakPolarHBondContact CD-OE1 3.23Å; P256-E259 HydrophobicContact CG-CG 4.17Å; P256-E259 WeakPolarHBondContact CG-OE1 3.45Å; P256-E259 PolarHBondContact O-N 2.9Å; E259-L310 HydrophobicContact CB-CD2 4.34Å; E259-R311 VanDerWaalsContact CD-NH2 3.32Å; E259-R311 IonicContact OE1-CZ 3.8Å; E259-R311 IonicContact OE1-NH1 3.31Å; E259-R311 IonicContact OE1-NH2 2.64Å; E259-R311 PolarHBondContact OE1-NH2 2.83Å; E259-R311 IonicContact OE2-CZ 3.67Å; E259-R311 IonicContact OE2-NH1 3.66Å; E259-R311 PolarHBondContact OE2-NH1 3.14Å; E259-R311 IonicContact OE2-NH2 3.77Å; E259-R311 PolarHBondContact OE2-NH2 3.32Å
260	G	98.1	Very high	98.5	Very high	8 Å²	8	36 Å²	36	8%	0.082	18%	0.175	C	C	.	.			trans	121	129.3	177.5	0	0	0	0	0	113.6	R240	R240-G260 PolarHBondContact NE-O 3.28Å
261	D	98.5	Very high	98.5	Very high	55 Å²	55	30.1 Å²	30.1	29%	0.294	15%	0.148	S	C	.	.	S	Bend	trans	-90.5	-54.8	174.3	-41.5	-88.2	0	0	0	111.1	W89 L310 K313	W89-D261 HydrophobicContact CH2-CB 3.69Å; W89-D261 HydrophobicContact CZ3-CB 3.66Å; W89-D261 WeakPolarHBondContact CZ3-OD1 3.44Å; D261-L310 WeakPolarHBondContact OD2-CD1 3.27Å; D261-K313 VanDerWaalsContact CG-NZ 3.3Å; D261-K313 IonicContact OD1-NZ 3.76Å; D261-K313 PolarHBondContact OD1-NZ 3.32Å; D261-K313 IonicContact OD2-NZ 2.74Å; D261-K313 PolarHBondContact OD2-NZ 2.86Å
262	F	98.8	Very high	98.5	Very high	34 Å²	34	31.3 Å²	31.3	15%	0.149	16%	0.156	C	C	.	.			trans	-149	148.6	-178.5	-54.9	-79.6	0	0	0	110.5	L84 T87 W89 I93 L231 Y245 Y264	L84-F262 HydrophobicContact CD2-CZ 4.13Å; T87-F262 HydrophobicContact CG2-CE2 3.89Å; T87-F262 HydrophobicContact CG2-CZ 4.34Å; W89-F262 AromaticContact CH2-CD2 3.92Å; W89-F262 HydrophobicContact CH2-CD2 3.92Å; W89-F262 AromaticContact CH2-CE2 3.68Å; W89-F262 HydrophobicContact CH2-CE2 3.68Å; W89-F262 HydrophobicContact CZ2-CE2 4.41Å; W89-F262 HydrophobicContact CZ3-CE2 4.28Å; I93-F262 HydrophobicContact CD1-CE1 4.39Å; I93-F262 HydrophobicContact CD1-CZ 3.85Å; L231-F262 HydrophobicContact CD2-CB 3.48Å; L231-F262 VanDerWaalsContact CD2-CB 3.48Å; L231-F262 HydrophobicContact CD2-CD1 3.61Å; L231-F262 HydrophobicContact CD2-CD2 4.38Å; L231-F262 HydrophobicContact CD2-CE1 4.42Å; L231-F262 HydrophobicContact CD2-CG 3.58Å; Y245-F262 VanDerWaalsContact OH-C 3.31Å; Y245-F262 PolarHBondContact OH-O 2.84Å; F262-Y264 HydrophobicContact CB-CE1 4.18Å; F262-Y264 HydrophobicContact CB-CE2 4.32Å; F262-Y264 HydrophobicContact CD2-CE1 4.43Å; F262-Y264 VanDerWaalsContact O-CD2 3.3Å; F262-Y264 WeakPolarHBondContact O-CD2 3.45Å; F262-Y264 WeakPolarHBondContact O-CE2 3.44Å; F262-Y264 PolarHBondContact O-N 3.29Å
263	Y	98.9	Very high	98.5	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.012	14%	0.139	C	C	.	.			trans	-83.1	111.8	167.7	-162.3	-96.1	0	0	0	110.2	H232 F235 F243 T244 Y245 W299 E302	H232-Y263 HydrophobicContact CB-CD1 3.59Å; H232-Y263 HydrophobicContact CB-CE1 4.28Å; H232-Y263 WeakPolarHBondContact CB-O 3.36Å; H232-Y263 AromaticContact CD2-CD1 3.85Å; H232-Y263 AromaticContact CD2-CE1 3.62Å; H232-Y263 AromaticContact CG-CD1 3.78Å; H232-Y263 PolarHBondContact N-O 2.82Å; F235-Y263 HydrophobicContact CB-CD1 4.32Å; F235-Y263 HydrophobicContact CB-CG 4.37Å; F235-Y263 AromaticContact CD2-CD1 3.38Å; F235-Y263 HydrophobicContact CD2-CD1 3.38Å; F235-Y263 AromaticContact CD2-CE1 3.8Å; F235-Y263 HydrophobicContact CD2-CE1 3.8Å; F235-Y263 AromaticContact CD2-CG 3.98Å; F235-Y263 HydrophobicContact CD2-CG 3.98Å; F235-Y263 AromaticContact CE2-CD1 3.93Å; F235-Y263 HydrophobicContact CE2-CD1 3.93Å; F235-Y263 AromaticContact CE2-CE1 3.88Å; F235-Y263 HydrophobicContact CE2-CE1 3.88Å; F235-Y263 HydrophobicContact CG-CD1 4.08Å; F235-Y263 HydrophobicContact CG-CG 4.27Å; F243-Y263 HydrophobicContact CB-CD2 3.83Å; F243-Y263 HydrophobicContact CB-CG 4.39Å; F243-Y263 HydrophobicContact CG-CD2 4.29Å; F243-Y263 HydrophobicContact CG-CG 4.43Å; T244-Y263 VanDerWaalsContact OG1-CZ 3.29Å; T244-Y263 PolarHBondContact OG1-OH 3.46Å; Y245-Y263 AromaticContact CD1-CD2 3.48Å; Y245-Y263 HydrophobicContact CD1-CD2 3.48Å; Y245-Y263 VanDerWaalsContact CD1-CD2 3.48Å; Y245-Y263 AromaticContact CD1-CE2 3.65Å; Y245-Y263 HydrophobicContact CD1-CE2 3.65Å; Y245-Y263 AromaticContact CE1-CD2 3.42Å; Y245-Y263 HydrophobicContact CE1-CD2 3.42Å; Y245-Y263 VanDerWaalsContact CE1-CD2 3.42Å; Y245-Y263 HydrophobicContact CE1-CE2 4.07Å; Y245-Y263 HydrophobicContact CE1-CG 4.35Å; Y245-Y263 HydrophobicContact CG-CD2 4.42Å; Y263-W299 VanDerWaalsContact OH-CD1 3.28Å; Y263-E302 HydrophobicContact CE1-CG 4.46Å; Y263-E302 WeakPolarHBondContact CE1-OE1 3.36Å; Y263-E302 VanDerWaalsContact CZ-OE1 3.23Å; Y263-E302 PolarHBondContact OH-OE1 3.43Å
264	Y	98.9	Very high	98.5	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	145.8	-179.6	-58	-77.6	0	0	0	111.7	T230 F262 E302 N306 L309 P314 V317	T230-Y264 CarbonylContact O-C 3.49Å; T230-Y264 VanDerWaalsContact O-CA 3.24Å; T230-Y264 WeakPolarHBondContact O-CA 3.48Å; F262-Y264 HydrophobicContact CB-CE1 4.18Å; F262-Y264 HydrophobicContact CB-CE2 4.32Å; F262-Y264 HydrophobicContact CD2-CE1 4.43Å; F262-Y264 VanDerWaalsContact O-CD2 3.3Å; F262-Y264 WeakPolarHBondContact O-CD2 3.45Å; F262-Y264 WeakPolarHBondContact O-CE2 3.44Å; F262-Y264 PolarHBondContact O-N 3.29Å; Y264-E302 WeakPolarHBondContact O-CG 3.42Å; Y264-N306 PolarHBondContact N-OD1 2.98Å; Y264-N306 PolarHBondContact O-ND2 3.15Å; Y264-L309 HydrophobicContact CD1-CD1 3.98Å; Y264-L309 HydrophobicContact CD2-CB 3.8Å; Y264-L309 HydrophobicContact CD2-CD1 3.6Å; Y264-L309 HydrophobicContact CD2-CG 4.36Å; Y264-L309 HydrophobicContact CE1-CD1 4.39Å; Y264-L309 HydrophobicContact CE2-CB 3.66Å; Y264-L309 HydrophobicContact CE2-CD1 4.05Å; Y264-L309 HydrophobicContact CG-CD1 3.55Å; Y264-P314 HydrophobicContact CE1-CG 4.23Å; Y264-V317 HydrophobicContact CE1-CG1 4.05Å; Y264-V317 HydrophobicContact CE1-CG2 4.06Å
265	M	97.9	Very high	98.5	Very high	36 Å²	36	30.6 Å²	30.6	18%	0.177	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.1	180	-170.7	86.7	-163.8	0	0	112.2	T230 H232 A267 E302 L305 L323	T230-M265 PolarHBondContact O-N 3.24Å; H232-M265 HydrophobicContact CB-CB 4.31Å; H232-M265 HydrophobicContact CB-SD 4.41Å; H232-M265 PolarHBondContact CD2-SD 3.3Å; M265-A267 HydrophobicContact CE-CB 3.66Å; M265-A267 HydrophobicContact CG-CB 3.71Å; M265-A267 PolarHBondContact O-N 2.67Å; M265-E302 WeakPolarHBondContact CA-OE2 3.41Å; M265-L305 WeakPolarHBondContact O-CD2 3.45Å; M265-L323 HydrophobicContact CB-CD2 4.44Å; M265-L323 HydrophobicContact CE-CD2 4.13Å; M265-L323 HydrophobicContact CG-CD1 3.86Å; M265-L323 HydrophobicContact CG-CD2 3.66Å; M265-L323 HydrophobicContact CG-CG 4.34Å; M265-L323 HydrophobicContact SD-CD2 3.64Å
266	G	97.4	Very high	98.5	Very high	4 Å²	4	30.6 Å²	30.6	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-15	173.8	0	0	0	0	0	115.1	R187 E302	R187-G266 PolarHBondContact NH2-O 2.84Å; R187-G266 VanDerWaalsContact NH2-O 3.12Å; G266-E302 PolarHBondContact N-OE2 3.41Å
267	A	97.6	Very high	98.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-3	-175	0	0	0	0	0	114.9	V209 D210 M265 L323	V209-A267 VanDerWaalsContact CA-O 3.24Å; V209-A267 WeakPolarHBondContact CA-O 3.25Å; D210-A267 HydrophobicContact CB-CB 3.87Å; D210-A267 PolarHBondContact N-O 3.29Å; D210-A267 VanDerWaalsContact N-O 3.13Å; D210-A267 WeakPolarHBondContact OD2-CB 3.34Å; M265-A267 HydrophobicContact CE-CB 3.66Å; M265-A267 HydrophobicContact CG-CB 3.71Å; M265-A267 PolarHBondContact O-N 2.67Å; A267-L323 HydrophobicContact CB-CD1 3.68Å
268	F	98.8	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	103.3	172.4	-161.9	-22.3	0	0	0	111.9	V207 C208 V209 V219 I223 F228 T230 L318 Y322 L323 F340	V207-F268 HydrophobicContact CG1-CD1 4.16Å; V207-F268 HydrophobicContact CG1-CE1 3.51Å; V207-F268 HydrophobicContact CG1-CZ 4.17Å; C208-F268 WeakPolarHBondContact O-CA 3.2Å; V209-F268 HydrophobicContact CG1-CB 4.16Å; V209-F268 HydrophobicContact CG1-CD1 3.66Å; V209-F268 HydrophobicContact CG1-CD2 4.02Å; V209-F268 HydrophobicContact CG1-CE1 4.05Å; V209-F268 HydrophobicContact CG1-CE2 4.37Å; V209-F268 HydrophobicContact CG1-CG 3.67Å; V209-F268 HydrophobicContact CG1-CZ 4.39Å; V219-F268 HydrophobicContact CG1-CZ 4.07Å; I223-F268 HydrophobicContact CD1-CE1 4.06Å; I223-F268 HydrophobicContact CD1-CZ 3.98Å; F228-F268 AromaticContact CE2-CD1 3.69Å; F228-F268 HydrophobicContact CE2-CD1 3.69Å; F228-F268 AromaticContact CE2-CE1 3.59Å; F228-F268 HydrophobicContact CE2-CE1 3.59Å; F228-F268 HydrophobicContact CZ-CD1 4.25Å; F228-F268 AromaticContact CZ-CE1 3.84Å; F228-F268 HydrophobicContact CZ-CE1 3.84Å; T230-F268 VanDerWaalsContact CB-O 3.27Å; T230-F268 WeakPolarHBondContact CB-O 3.42Å; T230-F268 PolarHBondContact N-O 3.1Å; T230-F268 PolarHBondContact OG1-O 2.8Å; F268-L318 HydrophobicContact CD1-CD1 4.37Å; F268-L318 HydrophobicContact CE1-CD1 3.92Å; F268-L318 HydrophobicContact CZ-CD1 4.05Å; F268-Y322 WeakPolarHBondContact CD2-O 3.19Å; F268-Y322 VanDerWaalsContact CE2-O 3.27Å; F268-Y322 WeakPolarHBondContact CE2-O 3.34Å; F268-L323 HydrophobicContact CB-CD1 3.73Å; F268-F340 AromaticContact CD2-CD1 3.72Å; F268-F340 HydrophobicContact CD2-CD1 3.72Å; F268-F340 HydrophobicContact CD2-CE1 4.03Å; F268-F340 HydrophobicContact CE2-CD1 4.03Å
269	F	98.9	Very high	98.6	Very high	2 Å²	2	25 Å²	25	1%	0.009	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	175	170.9	64.2	-87.8	0	0	0	110.4	M188 I191 C208 F228 L279 T280 L305	M188-F269 HydrophobicContact CE-CE1 3.94Å; M188-F269 HydrophobicContact CE-CZ 3.91Å; M188-F269 HydrophobicContact SD-CZ 4.09Å; I191-F269 HydrophobicContact CD1-CZ 4.18Å; C208-F269 HydrophobicContact CB-CD1 4.28Å; C208-F269 HydrophobicContact CB-CD2 3.99Å; C208-F269 HydrophobicContact CB-CE1 3.89Å; C208-F269 HydrophobicContact CB-CE2 3.56Å; C208-F269 HydrophobicContact CB-CG 4.32Å; C208-F269 HydrophobicContact CB-CZ 3.51Å; C208-F269 PolarHBondContact N-O 3.28Å; C208-F269 PolarHBondContact O-N 3.4Å; C208-F269 VanDerWaalsContact O-N 3.1Å; F228-F269 VanDerWaalsContact CE2-C 3.4Å; F269-L279 HydrophobicContact CD2-CD1 4.47Å; F269-L279 HydrophobicContact CD2-CD2 4.09Å; F269-L279 HydrophobicContact CE2-CD2 3.89Å; F269-T280 HydrophobicContact CE2-CG2 3.98Å; F269-T280 HydrophobicContact CZ-CG2 4.31Å; F269-L305 HydrophobicContact CB-CD1 4.38Å; F269-L305 HydrophobicContact CB-CD2 4.48Å; F269-L305 HydrophobicContact CD1-CD2 4.22Å; F269-L305 HydrophobicContact CG-CD1 4.38Å
270	G	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-167.4	176.2	0	0	0	0	0	113.2	L206 F228	L206-G270 CarbonylContact O-C 3.58Å; L206-G270 WeakPolarHBondContact O-CA 3.26Å; F228-G270 VanDerWaalsContact CD1-C 3.44Å; F228-G270 WeakPolarHBondContact CD1-O 3.28Å; F228-G270 VanDerWaalsContact CE1-CA 3.41Å; F228-G270 VanDerWaalsContact CZ-CA 3.47Å; F228-G270 PolarHBondContact N-O 2.82Å; F228-G270 PolarHBondContact O-N 3.2Å
271	G	98.8	Very high	98.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-164.6	-174.2	0	0	0	0	0	112.8	Y205 L206 T225 P226	Y205-G271 CarbonylContact C-O 3.46Å; Y205-G271 VanDerWaalsContact CA-O 3.25Å; Y205-G271 WeakPolarHBondContact CA-O 3.39Å; Y205-G271 WeakPolarHBondContact CB-O 3.41Å; L206-G271 PolarHBondContact N-O 3.05Å; L206-G271 PolarHBondContact O-N 3.4Å; T225-G271 CarbonylContact O-C 3.57Å; T225-G271 WeakPolarHBondContact O-CA 3.25Å; P226-G271 CarbonylContact O-C 3.54Å; P226-G271 WeakPolarHBondContact O-CA 3.15Å
272	S	98.9	Very high	98.7	Very high	28 Å²	28	24.7 Å²	24.7	20%	0.196	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	154.9	163	70.5	0	0	0	0	109.7	T225 P226 Q274 E275 V276	T225-S272 PolarHBondContact O-N 2.99Å; P226-S272 PolarHBondContact O-N 3.38Å; S272-Q274 PolarHBondContact O-N 3.07Å; S272-Q274 VanDerWaalsContact O-N 3.16Å; S272-E275 PolarHBondContact O-N 3.19Å; S272-E275 VanDerWaalsContact O-N 3.12Å; S272-E275 PolarHBondContact OG-N 2.73Å; S272-V276 PolarHBondContact O-N 3.02Å
273	V	98.8	Very high	98.7	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.036	11%	0.111	C	C	.	.	H	α-helix	trans	-54.9	-38.7	-179.6	-177.7	0	0	0	0	112.2	C195 F199 L200 V203 D204 L206 Q277	C195-V273 HydrophobicContact CB-CG1 4.21Å; F199-V273 HydrophobicContact CB-CG1 3.85Å; F199-V273 HydrophobicContact CB-CG2 4.28Å; L200-V273 HydrophobicContact CB-CG1 4.45Å; L200-V273 HydrophobicContact CD2-CB 4.01Å; L200-V273 HydrophobicContact CD2-CG1 3.62Å; L200-V273 HydrophobicContact CG-CG1 3.7Å; V203-V273 HydrophobicContact CG2-CG2 3.85Å; V203-V273 VanDerWaalsContact O-CG2 3.23Å; V203-V273 WeakPolarHBondContact O-CG2 3.32Å; D204-V273 PolarHBondContact O-N 3.44Å; L206-V273 HydrophobicContact CD1-CB 4.31Å; L206-V273 HydrophobicContact CD1-CG1 4.01Å; L206-V273 HydrophobicContact CD1-CG2 4.11Å; L206-V273 HydrophobicContact CG-CG2 4.14Å; V273-Q277 VanDerWaalsContact O-CB 3.29Å; V273-Q277 WeakPolarHBondContact O-CB 3.36Å; V273-Q277 PolarHBondContact O-N 2.97Å
274	Q	98.6	Very high	98.7	Very high	102 Å²	102	24.6 Å²	24.6	48%	0.477	12%	0.118	S	C	.	.	H	α-helix	trans	-64.5	-43.6	178.9	179.8	175.5	82	0	0	112.7	S272 Q277 R278	S272-Q274 PolarHBondContact O-N 3.07Å; S272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-Q277 PolarHBondContact O-N 2.84Å; Q274-R278 VanDerWaalsContact CD-NH2 3.33Å; Q274-R278 VanDerWaalsContact O-CG 3.31Å; Q274-R278 WeakPolarHBondContact O-CG 3.41Å; Q274-R278 PolarHBondContact O-N 3.23Å
275	E	98.8	Very high	98.7	Very high	33 Å²	33	30 Å²	30	15%	0.154	14%	0.143	C	C	.	.	H	α-helix	trans	-72.3	-37.9	179.3	-73.9	-59.3	108.6	0	0	112	P226 L227 S272 Q277 R278 L279	P226-E275 HydrophobicContact CB-CG 4.22Å; P226-E275 WeakPolarHBondContact O-CB 3.33Å; P226-E275 VanDerWaalsContact O-CG 3.31Å; P226-E275 WeakPolarHBondContact O-CG 3.41Å; L227-E275 HydrophobicContact CB-CB 4.26Å; L227-E275 HydrophobicContact CB-CG 4.39Å; S272-E275 PolarHBondContact O-N 3.19Å; S272-E275 VanDerWaalsContact O-N 3.12Å; S272-E275 PolarHBondContact OG-N 2.73Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.64Å; E275-R278 PolarHBondContact O-N 3.22Å; E275-R278 WeakPolarHBondContact OE1-CD 3.24Å; E275-R278 IonicContact OE1-CZ 3.76Å; E275-R278 IonicContact OE1-NE 3.23Å; E275-R278 IonicContact OE1-NH1 3.66Å; E275-R278 PolarHBondContact OE1-NH1 2.78Å; E275-L279 WeakPolarHBondContact O-CB 3.44Å; E275-L279 PolarHBondContact O-N 2.96Å
276	V	98.9	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-40.6	173.1	174.6	0	0	0	0	110.7	I191 L206 S272 L279 T280	I191-V276 HydrophobicContact CG2-CG1 3.76Å; L206-V276 HydrophobicContact CB-CB 4.29Å; L206-V276 HydrophobicContact CB-CG1 4.19Å; L206-V276 HydrophobicContact CB-CG2 4.02Å; L206-V276 HydrophobicContact CD1-CB 4.18Å; L206-V276 HydrophobicContact CD1-CG1 3.95Å; S272-V276 PolarHBondContact O-N 3.02Å; V276-L279 PolarHBondContact O-N 3.48Å; V276-T280 HydrophobicContact CG1-CG2 4.05Å; V276-T280 VanDerWaalsContact O-CB 3.31Å; V276-T280 WeakPolarHBondContact O-CB 3.24Å; V276-T280 VanDerWaalsContact O-CG2 3.24Å; V276-T280 WeakPolarHBondContact O-CG2 3.35Å; V276-T280 PolarHBondContact O-N 2.85Å; V276-T280 PolarHBondContact O-OG1 3.25Å
277	Q	98.8	Very high	98.8	Very high	28 Å²	28	29.5 Å²	29.5	13%	0.131	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-46.8	173.2	-172.8	-168.5	25	0	0	111.8	C195 E196 V273 Q274 E275 T280 R281	C195-Q277 HydrophobicContact CB-CB 3.8Å; C195-Q277 HydrophobicContact CB-CG 3.8Å; E196-Q277 PolarHBondContact OE1-NE2 2.84Å; V273-Q277 VanDerWaalsContact O-CB 3.29Å; V273-Q277 WeakPolarHBondContact O-CB 3.36Å; V273-Q277 PolarHBondContact O-N 2.97Å; Q274-Q277 PolarHBondContact O-N 2.84Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.64Å; Q277-T280 PolarHBondContact O-OG1 2.81Å; Q277-R281 WeakPolarHBondContact O-CB 3.49Å; Q277-R281 PolarHBondContact O-N 2.67Å
278	R	98.9	Very high	98.8	Very high	124 Å²	124	32.1 Å²	32.1	47%	0.468	16%	0.156	S	C	.	.	H	α-helix	trans	-60.1	-49.3	177.8	-74.3	166.5	176	170.4	3.3	111.8	Q274 E275 A282	Q274-R278 VanDerWaalsContact CD-NH2 3.33Å; Q274-R278 VanDerWaalsContact O-CG 3.31Å; Q274-R278 WeakPolarHBondContact O-CG 3.41Å; Q274-R278 PolarHBondContact O-N 3.23Å; E275-R278 PolarHBondContact O-N 3.22Å; E275-R278 WeakPolarHBondContact OE1-CD 3.24Å; E275-R278 IonicContact OE1-CZ 3.76Å; E275-R278 IonicContact OE1-NE 3.23Å; E275-R278 IonicContact OE1-NH1 3.66Å; E275-R278 PolarHBondContact OE1-NH1 2.78Å; R278-A282 VanDerWaalsContact O-CB 3.25Å; R278-A282 WeakPolarHBondContact O-CB 3.14Å; R278-A282 PolarHBondContact O-N 2.91Å
279	L	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-54.9	178.4	-179.5	155.7	0	0	0	111.7	M188 L227 F269 E275 V276 R281 A282 C283 L305 Y308 L309	M188-L279 HydrophobicContact SD-CD2 4.15Å; L227-L279 HydrophobicContact CD1-CD1 3.7Å; F269-L279 HydrophobicContact CD2-CD1 4.47Å; F269-L279 HydrophobicContact CD2-CD2 4.09Å; F269-L279 HydrophobicContact CE2-CD2 3.89Å; E275-L279 WeakPolarHBondContact O-CB 3.44Å; E275-L279 PolarHBondContact O-N 2.96Å; V276-L279 PolarHBondContact O-N 3.48Å; L279-R281 PolarHBondContact O-N 3.4Å; L279-A282 PolarHBondContact O-N 3.04Å; L279-C283 WeakPolarHBondContact O-CB 3.49Å; L279-C283 PolarHBondContact O-N 3.11Å; L279-C283 PolarHBondContact O-SG 2.97Å; L279-C283 VanDerWaalsContact O-SG 3.36Å; L279-L305 HydrophobicContact CD1-CD1 3.75Å; L279-L305 HydrophobicContact CD2-CD1 4.05Å; L279-L305 HydrophobicContact CG-CD1 4.29Å; L279-Y308 VanDerWaalsContact CA-CZ 3.5Å; L279-Y308 HydrophobicContact CB-CD1 3.94Å; L279-Y308 HydrophobicContact CB-CE1 3.59Å; L279-Y308 HydrophobicContact CB-CE2 4.42Å; L279-Y308 HydrophobicContact CB-CG 4.49Å; L279-Y308 HydrophobicContact CD1-CD1 3.7Å; L279-Y308 HydrophobicContact CD1-CE1 3.9Å; L279-Y308 HydrophobicContact CG-CD1 3.61Å; L279-Y308 HydrophobicContact CG-CE1 3.81Å; L279-Y308 HydrophobicContact CG-CG 4.1Å; L279-L309 HydrophobicContact CD1-CD2 4.18Å
280	T	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-39.1	-173.1	54.3	0	0	0	0	111.6	M188 I191 S192 F269 V276 Q277 H284	M188-T280 WeakPolarHBondContact O-CB 3.21Å; M188-T280 HydrophobicContact SD-CG2 3.82Å; I191-T280 HydrophobicContact CB-CG2 4.03Å; I191-T280 HydrophobicContact CD1-CG2 4.4Å; I191-T280 HydrophobicContact CG2-CG2 3.83Å; S192-T280 WeakPolarHBondContact CB-OG1 3.44Å; F269-T280 HydrophobicContact CE2-CG2 3.98Å; F269-T280 HydrophobicContact CZ-CG2 4.31Å; V276-T280 HydrophobicContact CG1-CG2 4.05Å; V276-T280 VanDerWaalsContact O-CB 3.31Å; V276-T280 WeakPolarHBondContact O-CB 3.24Å; V276-T280 VanDerWaalsContact O-CG2 3.24Å; V276-T280 WeakPolarHBondContact O-CG2 3.35Å; V276-T280 PolarHBondContact O-N 2.85Å; V276-T280 PolarHBondContact O-OG1 3.25Å; Q277-T280 PolarHBondContact O-OG1 2.81Å; T280-H284 VanDerWaalsContact O-CB 3.3Å; T280-H284 WeakPolarHBondContact O-CB 3.38Å; T280-H284 PolarHBondContact O-N 3.49Å
281	R	98.8	Very high	98.8	Very high	78 Å²	78	40.6 Å²	40.6	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-47.7	171.6	-177.3	165.4	-63.8	172.3	1.9	112.7	E196 Q277 L279 H284 Q285	E196-R281 IonicContact OE1-CZ 2.66Å; E196-R281 VanDerWaalsContact OE1-CZ 3.28Å; E196-R281 IonicContact OE1-NH1 2.67Å; E196-R281 PolarHBondContact OE1-NH1 2.93Å; E196-R281 IonicContact OE1-NH2 3.28Å; E196-R281 PolarHBondContact OE1-NH2 2.74Å; E196-R281 IonicContact OE2-NH2 2.67Å; Q277-R281 WeakPolarHBondContact O-CB 3.49Å; Q277-R281 PolarHBondContact O-N 2.67Å; L279-R281 PolarHBondContact O-N 3.4Å; R281-H284 PolarHBondContact O-N 3.1Å; R281-Q285 WeakPolarHBondContact O-CB 3.42Å; R281-Q285 WeakPolarHBondContact O-CG 3.3Å; R281-Q285 PolarHBondContact O-N 3.05Å
282	A	98.9	Very high	98.7	Very high	36 Å²	36	44.6 Å²	44.6	30%	0.298	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-43.4	-179.7	0	0	0	0	0	111.9	R278 L279 Q285 A286 Y308	R278-A282 VanDerWaalsContact O-CB 3.25Å; R278-A282 WeakPolarHBondContact O-CB 3.14Å; R278-A282 PolarHBondContact O-N 2.91Å; L279-A282 PolarHBondContact O-N 3.04Å; A282-Q285 PolarHBondContact O-N 3.23Å; A282-A286 VanDerWaalsContact O-CB 3.31Å; A282-A286 WeakPolarHBondContact O-CB 3.24Å; A282-A286 PolarHBondContact O-N 2.82Å; A282-Y308 HydrophobicContact CB-CD2 3.67Å; A282-Y308 HydrophobicContact CB-CE2 3.66Å
283	C	98.9	Very high	98.7	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-45.9	173.3	-72	0	0	0	0	111.5	M188 L279 A286 M287 H304	M188-C283 HydrophobicContact CB-CB 4.37Å; M188-C283 HydrophobicContact CG-CB 3.98Å; M188-C283 HydrophobicContact SD-CB 3.97Å; L279-C283 WeakPolarHBondContact O-CB 3.49Å; L279-C283 PolarHBondContact O-N 3.11Å; L279-C283 PolarHBondContact O-SG 2.97Å; L279-C283 VanDerWaalsContact O-SG 3.36Å; C283-A286 PolarHBondContact O-N 2.9Å; C283-M287 HydrophobicContact CB-CE 4.49Å; C283-M287 WeakPolarHBondContact O-CE 3.38Å; C283-M287 WeakPolarHBondContact O-CG 3.32Å; C283-M287 PolarHBondContact O-N 2.7Å; C283-H304 HydrophobicContact CB-CB 4.1Å
284	H	98.8	Very high	98.7	Very high	33 Å²	33	51.4 Å²	51.4	15%	0.153	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-48.9	177.8	174.2	58.8	0	0	0	112.4	M188 E189 T280 R281 A286 M287 M288	M188-H284 HydrophobicContact CB-CB 4.19Å; E189-H284 VanDerWaalsContact CD-CE1 3.45Å; E189-H284 IonicContact OE2-CE1 3.54Å; E189-H284 PolarHBondContact OE2-CE1 3.45Å; E189-H284 VanDerWaalsContact OE2-CE1 3.28Å; E189-H284 IonicContact OE2-ND1 3.52Å; T280-H284 VanDerWaalsContact O-CB 3.3Å; T280-H284 WeakPolarHBondContact O-CB 3.38Å; T280-H284 PolarHBondContact O-N 3.49Å; R281-H284 PolarHBondContact O-N 3.1Å; H284-A286 VanDerWaalsContact C-N 3.32Å; H284-A286 PolarHBondContact O-N 3.11Å; H284-M287 WeakPolarHBondContact O-CB 3.44Å; H284-M287 PolarHBondContact O-N 3.38Å; H284-M287 VanDerWaalsContact O-N 3.14Å; H284-M288 WeakPolarHBondContact O-CG 3.27Å; H284-M288 PolarHBondContact O-N 3.02Å
285	Q	98.8	Very high	98.7	Very high	116 Å²	116	47.7 Å²	47.7	54%	0.542	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-42	177	-72.8	174	-15.7	0	0	111.9	R281 A282 M287 M288 V289	R281-Q285 WeakPolarHBondContact O-CB 3.42Å; R281-Q285 WeakPolarHBondContact O-CG 3.3Å; R281-Q285 PolarHBondContact O-N 3.05Å; A282-Q285 PolarHBondContact O-N 3.23Å; Q285-M287 PolarHBondContact O-N 2.89Å; Q285-M288 PolarHBondContact O-N 2.97Å; Q285-V289 WeakPolarHBondContact O-CG2 3.41Å; Q285-V289 PolarHBondContact O-N 2.65Å
286	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	-62.2	-40.5	175	0	0	0	0	0	112.6	Q252 A282 C283 H284 M288 V289 D290 H304	Q252-A286 HydrophobicContact CB-CB 3.79Å; Q252-A286 HydrophobicContact CG-CB 4.34Å; A282-A286 VanDerWaalsContact O-CB 3.31Å; A282-A286 WeakPolarHBondContact O-CB 3.24Å; A282-A286 PolarHBondContact O-N 2.82Å; C283-A286 PolarHBondContact O-N 2.9Å; H284-A286 VanDerWaalsContact C-N 3.32Å; H284-A286 PolarHBondContact O-N 3.11Å; A286-M288 VanDerWaalsContact C-N 3.32Å; A286-M288 PolarHBondContact O-N 2.7Å; A286-V289 PolarHBondContact O-N 3.21Å; A286-D290 PolarHBondContact O-N 2.96Å; A286-H304 WeakPolarHBondContact CB-ND1 3.21Å
287	M	98.6	Very high	98.7	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-34.1	173.4	-74.3	-177.5	-66.7	0	0	112.5	M185 M188 C283 H284 Q285 D290 Q291 D301 H304	M185-M287 HydrophobicContact CB-CE 4.3Å; M185-M287 HydrophobicContact CB-SD 3.57Å; M185-M287 VanDerWaalsContact CB-SD 3.57Å; M185-M287 HydrophobicContact CG-SD 3.57Å; M185-M287 VanDerWaalsContact CG-SD 3.57Å; M185-M287 VanDerWaalsContact O-CE 3.3Å; M185-M287 WeakPolarHBondContact O-CE 3.37Å; M185-M287 HydrophobicContact SD-SD 3.91Å; M188-M287 HydrophobicContact CB-CE 3.71Å; M188-M287 HydrophobicContact CG-CE 3.67Å; C283-M287 HydrophobicContact CB-CE 4.49Å; C283-M287 WeakPolarHBondContact O-CE 3.38Å; C283-M287 WeakPolarHBondContact O-CG 3.32Å; C283-M287 PolarHBondContact O-N 2.7Å; H284-M287 WeakPolarHBondContact O-CB 3.44Å; H284-M287 PolarHBondContact O-N 3.38Å; H284-M287 VanDerWaalsContact O-N 3.14Å; Q285-M287 PolarHBondContact O-N 2.89Å; M287-D290 PolarHBondContact O-N 2.71Å; M287-Q291 WeakPolarHBondContact O-CB 3.42Å; M287-Q291 PolarHBondContact O-N 3.01Å; M287-D301 HydrophobicContact CE-CB 4.5Å; M287-D301 HydrophobicContact SD-CB 4.21Å; M287-H304 WeakPolarHBondContact CG-CD2 3.43Å; M287-H304 VanDerWaalsContact CG-NE2 3.31Å; M287-H304 WeakPolarHBondContact CG-NE2 3.41Å
288	M	98.6	Very high	98.7	Very high	56 Å²	56	51.1 Å²	51.1	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-72.7	-34.2	178.2	-64.5	-54.5	93.6	0	0	112	R186 H284 Q285 A286 Q291 A292	R186-M288 VanDerWaalsContact NH2-CE 3.29Å; H284-M288 WeakPolarHBondContact O-CG 3.27Å; H284-M288 PolarHBondContact O-N 3.02Å; Q285-M288 PolarHBondContact O-N 2.97Å; A286-M288 VanDerWaalsContact C-N 3.32Å; A286-M288 PolarHBondContact O-N 2.7Å; M288-Q291 PolarHBondContact SD-OE1 2.96Å; M288-A292 WeakPolarHBondContact O-CB 3.35Å; M288-A292 PolarHBondContact O-N 3.35Å
289	V	98.8	Very high	98.7	Very high	62 Å²	62	51 Å²	51	38%	0.376	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-43.7	171.1	173.2	0	0	0	0	111	Q252 Q285 A286 A292 N293	Q252-V289 HydrophobicContact CG-CB 3.81Å; Q252-V289 HydrophobicContact CG-CG1 3.61Å; Q285-V289 WeakPolarHBondContact O-CG2 3.41Å; Q285-V289 PolarHBondContact O-N 2.65Å; A286-V289 PolarHBondContact O-N 3.21Å; V289-A292 PolarHBondContact O-N 3.15Å; V289-N293 WeakPolarHBondContact O-CB 3.43Å; V289-N293 VanDerWaalsContact O-CG 3.3Å; V289-N293 PolarHBondContact O-N 3.24Å; V289-N293 PolarHBondContact O-ND2 3.07Å
290	D	98.8	Very high	98.6	Very high	2 Å²	2	52 Å²	52	1%	0.011	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-45.1	175.7	-84.2	11.3	0	0	0	111.7	S251 Q252 A286 M287 A292 N293 G294 I295 H304	S251-D290 WeakPolarHBondContact CA-OD1 3.1Å; S251-D290 VanDerWaalsContact CB-OD2 3.31Å; S251-D290 WeakPolarHBondContact CB-OD2 3.48Å; S251-D290 PolarHBondContact OG-OD2 3.38Å; Q252-D290 WeakPolarHBondContact CG-OD1 3.29Å; Q252-D290 PolarHBondContact N-OD1 3.41Å; Q252-D290 PolarHBondContact N-OD2 3.01Å; A286-D290 PolarHBondContact O-N 2.96Å; M287-D290 PolarHBondContact O-N 2.71Å; D290-A292 VanDerWaalsContact C-N 3.33Å; D290-A292 PolarHBondContact O-N 2.83Å; D290-N293 CarbonylContact O-C 3.54Å; D290-N293 PolarHBondContact O-N 3.23Å; D290-N293 VanDerWaalsContact O-N 3.1Å; D290-G294 PolarHBondContact O-N 3.4Å; D290-G294 VanDerWaalsContact O-N 3.1Å; D290-I295 CarbonylContact C-O 3.58Å; D290-I295 HydrophobicContact CB-CG2 3.77Å; D290-I295 WeakPolarHBondContact CB-O 3.25Å; D290-I295 WeakPolarHBondContact O-CG2 3.27Å; D290-I295 PolarHBondContact O-N 2.78Å; D290-H304 IonicContact OD2-CE1 3.41Å; D290-H304 PolarHBondContact OD2-CE1 3.23Å; D290-H304 VanDerWaalsContact OD2-CE1 3.31Å; D290-H304 IonicContact OD2-NE2 3.46Å
291	Q	98.1	Very high	98.6	Very high	117 Å²	117	52.2 Å²	52.2	55%	0.547	29%	0.293	S	S	.	.	H	α-helix	trans	-57.3	-44.2	174.1	-174.4	178.6	6.3	0	0	112	R186 M287 M288 N293 G294	R186-Q291 VanDerWaalsContact NH2-OE1 3.08Å; M287-Q291 WeakPolarHBondContact O-CB 3.42Å; M287-Q291 PolarHBondContact O-N 3.01Å; M288-Q291 PolarHBondContact SD-OE1 2.96Å; Q291-N293 VanDerWaalsContact C-N 3.3Å; Q291-N293 PolarHBondContact O-N 3.19Å; Q291-G294 PolarHBondContact O-N 3.27Å; Q291-G294 VanDerWaalsContact O-N 3.16Å
292	A	98.4	Very high	98.6	Very high	85 Å²	85	49.4 Å²	49.4	70%	0.702	28%	0.283	S	S	*	.	H	α-helix	trans	-66.1	-31	177.3	0	0	0	0	0	113	M288 V289 D290 G294	M288-A292 WeakPolarHBondContact O-CB 3.35Å; M288-A292 PolarHBondContact O-N 3.35Å; V289-A292 PolarHBondContact O-N 3.15Å; D290-A292 VanDerWaalsContact C-N 3.33Å; D290-A292 PolarHBondContact O-N 2.83Å; A292-G294 VanDerWaalsContact C-N 3.29Å
293	N	98.3	Very high	98.6	Very high	103 Å²	103	47.7 Å²	47.7	55%	0.551	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	2.6	174.9	-68.4	-28.9	0	0	0	113.6	V289 D290 Q291 I295	V289-N293 WeakPolarHBondContact O-CB 3.43Å; V289-N293 VanDerWaalsContact O-CG 3.3Å; V289-N293 PolarHBondContact O-N 3.24Å; V289-N293 PolarHBondContact O-ND2 3.07Å; D290-N293 CarbonylContact O-C 3.54Å; D290-N293 PolarHBondContact O-N 3.23Å; D290-N293 VanDerWaalsContact O-N 3.1Å; Q291-N293 VanDerWaalsContact C-N 3.3Å; Q291-N293 PolarHBondContact O-N 3.19Å; N293-I295 VanDerWaalsContact C-N 3.33Å; N293-I295 HydrophobicContact CB-CG2 4.21Å; N293-I295 PolarHBondContact O-N 3.36Å
294	G	98.3	Very high	98.6	Very high	73 Å²	73	47.9 Å²	47.9	75%	0.753	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	25.4	179.9	0	0	0	0	0	114.4	D290 Q291 A292	D290-G294 PolarHBondContact O-N 3.4Å; D290-G294 VanDerWaalsContact O-N 3.1Å; Q291-G294 PolarHBondContact O-N 3.27Å; Q291-G294 VanDerWaalsContact O-N 3.16Å; A292-G294 VanDerWaalsContact C-N 3.29Å
295	I	98.6	Very high	98.6	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.128	26%	0.263	C	S	.	.			trans	-120.8	146.7	178.2	-169.5	163.1	0	0	0	110.7	R248 Q250 D290 N293	R248-I295 HydrophobicContact CB-CD1 4.16Å; Q250-I295 HydrophobicContact CB-CD1 4.09Å; D290-I295 CarbonylContact C-O 3.58Å; D290-I295 HydrophobicContact CB-CG2 3.77Å; D290-I295 WeakPolarHBondContact CB-O 3.25Å; D290-I295 WeakPolarHBondContact O-CG2 3.27Å; D290-I295 PolarHBondContact O-N 2.78Å; N293-I295 VanDerWaalsContact C-N 3.33Å; N293-I295 HydrophobicContact CB-CG2 4.21Å; N293-I295 PolarHBondContact O-N 3.36Å
296	E	98.8	Very high	98.6	Very high	62 Å²	62	40.9 Å²	40.9	29%	0.29	24%	0.237	S	C	.	.			trans	-126.6	129.1	171.1	-178.6	174.3	96	0	0	107.3	R179 M185 R248 H300	R179-E296 IonicContact CZ-OE1 2.9Å; R179-E296 IonicContact CZ-OE2 2.66Å; R179-E296 VanDerWaalsContact CZ-OE2 3.27Å; R179-E296 IonicContact NH1-OE1 2.7Å; R179-E296 IonicContact NH1-OE2 3.22Å; R179-E296 PolarHBondContact NH1-OE2 2.84Å; R179-E296 IonicContact NH2-OE1 3.41Å; R179-E296 PolarHBondContact NH2-OE1 3.49Å; R179-E296 IonicContact NH2-OE2 3.32Å; R179-E296 PolarHBondContact NH2-OE2 3.45Å; M185-E296 HydrophobicContact CE-CG 4.32Å; M185-E296 WeakPolarHBondContact CE-OE2 3.48Å; M185-E296 HydrophobicContact SD-CG 4.28Å; R248-E296 PolarHBondContact NH2-O 3.39Å; E296-H300 IonicContact OE1-CD2 3.24Å; E296-H300 IonicContact OE1-NE2 2.71Å
297	A	98.6	Very high	98.6	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	24%	0.239	C	C	.	.			trans	-67.4	145.6	-174.9	0	0	0	0	0	112.1	E246 A253 W299 H300	E246-A297 WeakPolarHBondContact OE2-CA 3.38Å; A253-A297 HydrophobicContact CB-CB 3.89Å; A297-W299 VanDerWaalsContact C-N 3.27Å; A297-W299 PolarHBondContact O-N 3.45Å; A297-W299 VanDerWaalsContact O-N 3.11Å; A297-H300 PolarHBondContact O-N 2.99Å
298	V	98.6	Very high	98.7	Very high	69 Å²	69	42.7 Å²	42.7	42%	0.418	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.4	-168.2	62.5	0	0	0	0	115	E246	E246-V298 HydrophobicContact CB-CG1 4.28Å; E246-V298 PolarHBondContact OE2-N 3.37Å
299	W	98.6	Very high	98.7	Very high	122 Å²	122	40 Å²	40	46%	0.462	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	37	172.3	-65	109.2	0	0	0	112.1	T244 Y263 A297 D301 E302 S303	T244-W299 VanDerWaalsContact CB-NE1 3.33Å; T244-W299 VanDerWaalsContact O-CD1 3.27Å; T244-W299 PolarHBondContact OG1-NE1 2.79Å; Y263-W299 VanDerWaalsContact OH-CD1 3.28Å; A297-W299 VanDerWaalsContact C-N 3.27Å; A297-W299 PolarHBondContact O-N 3.45Å; A297-W299 VanDerWaalsContact O-N 3.11Å; W299-D301 PolarHBondContact O-N 3.32Å; W299-E302 HydrophobicContact CB-CB 4.28Å; W299-E302 WeakPolarHBondContact O-CB 3.21Å; W299-E302 PolarHBondContact O-N 2.7Å; W299-S303 WeakPolarHBondContact CA-OG 3.34Å; W299-S303 PolarHBondContact N-OG 3.39Å; W299-S303 PolarHBondContact O-N 2.93Å
300	H	98.6	Very high	98.7	Very high	20 Å²	20	37.6 Å²	37.6	9%	0.093	21%	0.213	C	C	.	.	H	α-helix	trans	54	-132.7	168	-39.8	94.5	0	0	0	111.6	W180 Q181 M185 E296 A297 E302 S303 H304	W180-H300 AromaticContact CH2-CE1 3.41Å; W180-H300 VanDerWaalsContact CH2-CE1 3.41Å; W180-H300 WeakPolarHBondContact CH2-CE1 3.37Å; W180-H300 AromaticContact CH2-ND1 3.84Å; Q181-H300 VanDerWaalsContact CG-CD2 3.48Å; Q181-H300 WeakPolarHBondContact CG-CD2 3.38Å; Q181-H300 WeakPolarHBondContact CG-NE2 3.23Å; M185-H300 HydrophobicContact CG-CB 3.73Å; M185-H300 HydrophobicContact SD-CB 4.08Å; E296-H300 IonicContact OE1-CD2 3.24Å; E296-H300 IonicContact OE1-NE2 2.71Å; A297-H300 PolarHBondContact O-N 2.99Å; H300-E302 VanDerWaalsContact C-N 3.26Å; H300-E302 PolarHBondContact O-N 3.25Å; H300-S303 WeakPolarHBondContact O-CB 3.15Å; H300-S303 PolarHBondContact O-N 3.19Å; H300-S303 VanDerWaalsContact O-N 3.08Å; H300-H304 PolarHBondContact O-CD2 3.11Å; H300-H304 VanDerWaalsContact O-CD2 3.32Å
301	D	98.5	Very high	98.7	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-29.3	178.4	49.6	-60.4	0	0	0	114.6	S184 R187 M188 M287 W299 S303 H304 L305	S184-D301 VanDerWaalsContact CB-OD1 3.28Å; S184-D301 WeakPolarHBondContact CB-OD1 3.24Å; S184-D301 PolarHBondContact OG-OD1 3.03Å; S184-D301 PolarHBondContact OG-OD2 3.26Å; R187-D301 IonicContact CZ-OD2 2.67Å; R187-D301 IonicContact NE-OD2 2.7Å; R187-D301 IonicContact NH2-OD2 3.8Å; R187-D301 PolarHBondContact NH2-OD2 3.06Å; M188-D301 HydrophobicContact CE-CB 3.92Å; M188-D301 HydrophobicContact CG-CB 4.22Å; M287-D301 HydrophobicContact CE-CB 4.5Å; M287-D301 HydrophobicContact SD-CB 4.21Å; W299-D301 PolarHBondContact O-N 3.32Å; D301-S303 VanDerWaalsContact C-N 3.3Å; D301-S303 PolarHBondContact O-N 3.38Å; D301-H304 PolarHBondContact O-N 3.07Å; D301-L305 WeakPolarHBondContact O-CB 3.25Å; D301-L305 PolarHBondContact O-N 3.2Å
302	E	98.9	Very high	98.7	Very high	18 Å²	18	42.6 Å²	42.6	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-34.7	174.9	-178.2	174.4	91.7	0	0	111.9	H232 Y263 Y264 M265 G266 W299 H300 L305 N306	H232-E302 IonicContact CD2-OE2 3.46Å; Y263-E302 HydrophobicContact CE1-CG 4.46Å; Y263-E302 WeakPolarHBondContact CE1-OE1 3.36Å; Y263-E302 VanDerWaalsContact CZ-OE1 3.23Å; Y263-E302 PolarHBondContact OH-OE1 3.43Å; Y264-E302 WeakPolarHBondContact O-CG 3.42Å; M265-E302 WeakPolarHBondContact CA-OE2 3.41Å; G266-E302 PolarHBondContact N-OE2 3.41Å; W299-E302 HydrophobicContact CB-CB 4.28Å; W299-E302 WeakPolarHBondContact O-CB 3.21Å; W299-E302 PolarHBondContact O-N 2.7Å; H300-E302 VanDerWaalsContact C-N 3.26Å; H300-E302 PolarHBondContact O-N 3.25Å; E302-L305 PolarHBondContact O-N 3.02Å; E302-N306 WeakPolarHBondContact CG-ND2 3.44Å; E302-N306 WeakPolarHBondContact O-CB 3.36Å; E302-N306 PolarHBondContact O-N 3.23Å; E302-N306 PolarHBondContact O-ND2 3.18Å
303	S	98.9	Very high	98.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-41.4	175.8	-63.5	0	0	0	0	111.5	W299 H300 D301 K307	W299-S303 WeakPolarHBondContact CA-OG 3.34Å; W299-S303 PolarHBondContact N-OG 3.39Å; W299-S303 PolarHBondContact O-N 2.93Å; H300-S303 WeakPolarHBondContact O-CB 3.15Å; H300-S303 PolarHBondContact O-N 3.19Å; H300-S303 VanDerWaalsContact O-N 3.08Å; D301-S303 VanDerWaalsContact C-N 3.3Å; D301-S303 PolarHBondContact O-N 3.38Å; S303-K307 PolarHBondContact O-N 2.86Å; S303-K307 VanDerWaalsContact O-N 3.16Å
304	H	98.9	Very high	98.8	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.023	19%	0.186	C	C	.	.	H	α-helix	trans	-70.9	-37.7	176	-65.2	-85.6	0	0	0	112.2	C283 A286 M287 D290 H300 D301 N306 K307 Y308	C283-H304 HydrophobicContact CB-CB 4.1Å; A286-H304 WeakPolarHBondContact CB-ND1 3.21Å; M287-H304 WeakPolarHBondContact CG-CD2 3.43Å; M287-H304 VanDerWaalsContact CG-NE2 3.31Å; M287-H304 WeakPolarHBondContact CG-NE2 3.41Å; D290-H304 IonicContact OD2-CE1 3.41Å; D290-H304 PolarHBondContact OD2-CE1 3.23Å; D290-H304 VanDerWaalsContact OD2-CE1 3.31Å; D290-H304 IonicContact OD2-NE2 3.46Å; H300-H304 PolarHBondContact O-CD2 3.11Å; H300-H304 VanDerWaalsContact O-CD2 3.32Å; D301-H304 PolarHBondContact O-N 3.07Å; H304-N306 PolarHBondContact O-N 3.4Å; H304-K307 PolarHBondContact O-N 3.24Å; H304-Y308 PolarHBondContact O-N 2.96Å
305	L	98.9	Very high	98.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-49.3	172.8	174.1	65.3	0	0	0	111.5	M265 F269 L279 D301 E302 K307 Y308 L309	M265-L305 WeakPolarHBondContact O-CD2 3.45Å; F269-L305 HydrophobicContact CB-CD1 4.38Å; F269-L305 HydrophobicContact CB-CD2 4.48Å; F269-L305 HydrophobicContact CD1-CD2 4.22Å; F269-L305 HydrophobicContact CG-CD1 4.38Å; L279-L305 HydrophobicContact CD1-CD1 3.75Å; L279-L305 HydrophobicContact CD2-CD1 4.05Å; L279-L305 HydrophobicContact CG-CD1 4.29Å; D301-L305 WeakPolarHBondContact O-CB 3.25Å; D301-L305 PolarHBondContact O-N 3.2Å; E302-L305 PolarHBondContact O-N 3.02Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 2.89Å; L305-Y308 PolarHBondContact O-N 3.09Å; L305-Y308 VanDerWaalsContact O-N 3.16Å; L305-L309 HydrophobicContact CD1-CD1 3.77Å; L305-L309 HydrophobicContact CD1-CG 4Å; L305-L309 HydrophobicContact CG-CD1 4.02Å; L305-L309 HydrophobicContact CG-CG 4.5Å; L305-L309 WeakPolarHBondContact O-CG 3.4Å; L305-L309 PolarHBondContact O-N 2.67Å
306	N	98.9	Very high	98.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.011	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-41.2	178.7	-84.2	-79.1	0	0	0	112	Y245 I255 Y264 E302 H304 L310	Y245-N306 HydrophobicContact CD1-CB 3.81Å; Y245-N306 HydrophobicContact CE1-CB 3.73Å; Y245-N306 WeakPolarHBondContact CE1-OD1 3.43Å; I255-N306 HydrophobicContact CD1-CB 4.28Å; Y264-N306 PolarHBondContact N-OD1 2.98Å; Y264-N306 PolarHBondContact O-ND2 3.15Å; E302-N306 WeakPolarHBondContact CG-ND2 3.44Å; E302-N306 WeakPolarHBondContact O-CB 3.36Å; E302-N306 PolarHBondContact O-N 3.23Å; E302-N306 PolarHBondContact O-ND2 3.18Å; H304-N306 PolarHBondContact O-N 3.4Å; N306-L310 WeakPolarHBondContact O-CB 3.18Å; N306-L310 PolarHBondContact O-N 2.99Å
307	K	98.9	Very high	98.8	Very high	48 Å²	48	33.9 Å²	33.9	21%	0.209	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-41.1	173.3	178.5	58.8	165.1	-76.5	0	112.5	Q252 Y254 I255 S303 H304 L305 R311	Q252-K307 WeakPolarHBondContact O-CG 3.27Å; Q252-K307 PolarHBondContact O-NZ 3.32Å; Y254-K307 WeakPolarHBondContact O-CE 3.43Å; Y254-K307 PolarHBondContact O-NZ 3.07Å; I255-K307 HydrophobicContact CD1-CB 4.47Å; I255-K307 HydrophobicContact CG1-CD 4.13Å; S303-K307 PolarHBondContact O-N 2.86Å; S303-K307 VanDerWaalsContact O-N 3.16Å; H304-K307 PolarHBondContact O-N 3.24Å; L305-K307 VanDerWaalsContact C-N 3.33Å; L305-K307 PolarHBondContact O-N 2.89Å; K307-R311 PolarHBondContact O-N 2.85Å
308	Y	98.9	Very high	98.8	Very high	19 Å²	19	33.8 Å²	33.8	8%	0.075	15%	0.153	C	C	.	.	H	α-helix	trans	-63.6	-51	177	-175.2	-89	0	0	0	111.1	L227 L279 A282 H304 L305 L310 R311 H312	L227-Y308 HydrophobicContact CD2-CE1 4.03Å; L279-Y308 VanDerWaalsContact CA-CZ 3.5Å; L279-Y308 HydrophobicContact CB-CD1 3.94Å; L279-Y308 HydrophobicContact CB-CE1 3.59Å; L279-Y308 HydrophobicContact CB-CE2 4.42Å; L279-Y308 HydrophobicContact CB-CG 4.49Å; L279-Y308 HydrophobicContact CD1-CD1 3.7Å; L279-Y308 HydrophobicContact CD1-CE1 3.9Å; L279-Y308 HydrophobicContact CG-CD1 3.61Å; L279-Y308 HydrophobicContact CG-CE1 3.81Å; L279-Y308 HydrophobicContact CG-CG 4.1Å; A282-Y308 HydrophobicContact CB-CD2 3.67Å; A282-Y308 HydrophobicContact CB-CE2 3.66Å; H304-Y308 PolarHBondContact O-N 2.96Å; L305-Y308 PolarHBondContact O-N 3.09Å; L305-Y308 VanDerWaalsContact O-N 3.16Å; Y308-L310 VanDerWaalsContact C-N 3.33Å; Y308-L310 PolarHBondContact O-N 2.87Å; Y308-R311 CarbonylContact O-C 3.6Å; Y308-R311 PolarHBondContact O-N 2.83Å; Y308-R311 VanDerWaalsContact O-N 3.08Å; Y308-H312 HydrophobicContact CD1-CB 4.14Å; Y308-H312 AromaticContact CD1-ND1 4Å; Y308-H312 AromaticContact CD2-CE1 3.89Å; Y308-H312 AromaticContact CD2-ND1 3.45Å; Y308-H312 WeakPolarHBondContact CD2-ND1 3.42Å; Y308-H312 HydrophobicContact CE1-CB 3.68Å; Y308-H312 AromaticContact CE1-CG 3.95Å; Y308-H312 AromaticContact CE1-ND1 3.9Å; Y308-H312 AromaticContact CE2-CE1 3.64Å; Y308-H312 AromaticContact CE2-CG 3.94Å; Y308-H312 AromaticContact CE2-ND1 3.33Å; Y308-H312 VanDerWaalsContact CE2-ND1 3.33Å; Y308-H312 WeakPolarHBondContact CE2-ND1 3.29Å; Y308-H312 AromaticContact CG-ND1 3.79Å; Y308-H312 AromaticContact CZ-CG 3.71Å; Y308-H312 AromaticContact CZ-ND1 3.58Å; Y308-H312 PolarHBondContact O-N 2.81Å; Y308-H312 PolarHBondContact O-ND1 3.37Å; Y308-H312 VanDerWaalsContact O-ND1 3.13Å
309	L	98.9	Very high	98.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.4	-28	-177.6	-66.3	178.7	0	0	0	113.6	L227 Y264 L279 L305 R311 H312 P314	L227-L309 HydrophobicContact CD1-CD2 4.29Å; L227-L309 HydrophobicContact CD2-CD2 3.93Å; L227-L309 HydrophobicContact CG-CD2 4.14Å; Y264-L309 HydrophobicContact CD1-CD1 3.98Å; Y264-L309 HydrophobicContact CD2-CB 3.8Å; Y264-L309 HydrophobicContact CD2-CD1 3.6Å; Y264-L309 HydrophobicContact CD2-CG 4.36Å; Y264-L309 HydrophobicContact CE1-CD1 4.39Å; Y264-L309 HydrophobicContact CE2-CB 3.66Å; Y264-L309 HydrophobicContact CE2-CD1 4.05Å; Y264-L309 HydrophobicContact CG-CD1 3.55Å; L279-L309 HydrophobicContact CD1-CD2 4.18Å; L305-L309 HydrophobicContact CD1-CD1 3.77Å; L305-L309 HydrophobicContact CD1-CG 4Å; L305-L309 HydrophobicContact CG-CD1 4.02Å; L305-L309 HydrophobicContact CG-CG 4.5Å; L305-L309 WeakPolarHBondContact O-CG 3.4Å; L305-L309 PolarHBondContact O-N 2.67Å; L309-R311 VanDerWaalsContact C-N 3.29Å; L309-R311 PolarHBondContact O-N 3Å; L309-H312 WeakPolarHBondContact CA-O 3.5Å; L309-H312 CarbonylContact O-C 3.59Å; L309-P314 HydrophobicContact CD2-CB 4.14Å; L309-P314 HydrophobicContact CD2-CG 4.29Å
310	L	98.8	Very high	98.8	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.063	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-37.5	169.8	175.1	61.8	0	0	0	112	I255 E259 D261 N306 Y308 K313	I255-L310 HydrophobicContact CB-CD2 4.39Å; I255-L310 HydrophobicContact CD1-CD2 3.98Å; I255-L310 HydrophobicContact CG1-CD2 3.81Å; I255-L310 HydrophobicContact CG2-CD2 3.72Å; E259-L310 HydrophobicContact CB-CD2 4.34Å; D261-L310 WeakPolarHBondContact OD2-CD1 3.27Å; N306-L310 WeakPolarHBondContact O-CB 3.18Å; N306-L310 PolarHBondContact O-N 2.99Å; Y308-L310 VanDerWaalsContact C-N 3.33Å; Y308-L310 PolarHBondContact O-N 2.87Å; L310-K313 WeakPolarHBondContact O-CE 3.39Å; L310-K313 PolarHBondContact O-NZ 3.23Å
311	R	98.8	Very high	98.8	Very high	129 Å²	129	23.8 Å²	23.8	49%	0.487	11%	0.107	S	C	.	.	H	α-helix	trans	-93	-28	-177.7	-60.8	-60.4	-179.2	-140.1	-5.4	113.3	E259 K307 Y308 L309	E259-R311 VanDerWaalsContact CD-NH2 3.32Å; E259-R311 IonicContact OE1-CZ 3.8Å; E259-R311 IonicContact OE1-NH1 3.31Å; E259-R311 IonicContact OE1-NH2 2.64Å; E259-R311 PolarHBondContact OE1-NH2 2.83Å; E259-R311 IonicContact OE2-CZ 3.67Å; E259-R311 IonicContact OE2-NH1 3.66Å; E259-R311 PolarHBondContact OE2-NH1 3.14Å; E259-R311 IonicContact OE2-NH2 3.77Å; E259-R311 PolarHBondContact OE2-NH2 3.32Å; K307-R311 PolarHBondContact O-N 2.85Å; Y308-R311 CarbonylContact O-C 3.6Å; Y308-R311 PolarHBondContact O-N 2.83Å; Y308-R311 VanDerWaalsContact O-N 3.08Å; L309-R311 VanDerWaalsContact C-N 3.29Å; L309-R311 PolarHBondContact O-N 3Å
312	H	98.8	Very high	98.9	Very high	94 Å²	94	23.5 Å²	23.5	44%	0.435	11%	0.106	S	C	.	.	S	Bend	trans	-122.4	90.1	178.4	-50.2	93.4	0	0	0	108.2	Y308 L309	Y308-H312 HydrophobicContact CD1-CB 4.14Å; Y308-H312 AromaticContact CD1-ND1 4Å; Y308-H312 AromaticContact CD2-CE1 3.89Å; Y308-H312 AromaticContact CD2-ND1 3.45Å; Y308-H312 WeakPolarHBondContact CD2-ND1 3.42Å; Y308-H312 HydrophobicContact CE1-CB 3.68Å; Y308-H312 AromaticContact CE1-CG 3.95Å; Y308-H312 AromaticContact CE1-ND1 3.9Å; Y308-H312 AromaticContact CE2-CE1 3.64Å; Y308-H312 AromaticContact CE2-CG 3.94Å; Y308-H312 AromaticContact CE2-ND1 3.33Å; Y308-H312 VanDerWaalsContact CE2-ND1 3.33Å; Y308-H312 WeakPolarHBondContact CE2-ND1 3.29Å; Y308-H312 AromaticContact CG-ND1 3.79Å; Y308-H312 AromaticContact CZ-CG 3.71Å; Y308-H312 AromaticContact CZ-ND1 3.58Å; Y308-H312 PolarHBondContact O-N 2.81Å; Y308-H312 PolarHBondContact O-ND1 3.37Å; Y308-H312 VanDerWaalsContact O-ND1 3.13Å; L309-H312 WeakPolarHBondContact CA-O 3.5Å; L309-H312 CarbonylContact O-C 3.59Å
313	K	98.8	Very high	98.8	Very high	76 Å²	76	23 Å²	23	33%	0.33	10%	0.103	S	C	.	.			trans	-61.2	127.3	-170	-60.3	-52.7	-166.7	-167.5	0	111.1	W89 D261 L310	W89-K313 HydrophobicContact CD2-CB 4.03Å; W89-K313 HydrophobicContact CD2-CD 4.18Å; W89-K313 HydrophobicContact CD2-CG 4.07Å; W89-K313 HydrophobicContact CE3-CD 4.18Å; W89-K313 HydrophobicContact CE3-CG 4.48Å; W89-K313 HydrophobicContact CG-CB 3.96Å; W89-K313 HydrophobicContact CG-CG 4.16Å; W89-K313 HydrophobicContact CH2-CD 4.41Å; W89-K313 HydrophobicContact CZ2-CB 4.45Å; W89-K313 HydrophobicContact CZ2-CD 4.42Å; W89-K313 HydrophobicContact CZ3-CD 4.31Å; D261-K313 VanDerWaalsContact CG-NZ 3.3Å; D261-K313 IonicContact OD1-NZ 3.76Å; D261-K313 PolarHBondContact OD1-NZ 3.32Å; D261-K313 IonicContact OD2-NZ 2.74Å; D261-K313 PolarHBondContact OD2-NZ 2.86Å; L310-K313 WeakPolarHBondContact O-CE 3.39Å; L310-K313 PolarHBondContact O-NZ 3.23Å
314	P	98.8	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.104	C	C	.	.			trans	-68.4	141.9	178.4	27.6	-34	0	0	0	111.3	W89 A91 L227 Y264 L309 K316 V317	W89-P314 HydrophobicContact CZ2-CG 4.17Å; W89-P314 PolarHBondContact NE1-O 2.86Å; A91-P314 WeakPolarHBondContact CB-O 3.37Å; L227-P314 HydrophobicContact CG-CB 4.25Å; L227-P314 CarbonylContact O-C 3.52Å; L227-P314 WeakPolarHBondContact O-CA 2.83Å; Y264-P314 HydrophobicContact CE1-CG 4.23Å; L309-P314 HydrophobicContact CD2-CB 4.14Å; L309-P314 HydrophobicContact CD2-CG 4.29Å; P314-K316 WeakPolarHBondContact CB-O 3.19Å; P314-V317 HydrophobicContact CG-CG2 3.91Å
315	T	98.7	Very high	98.8	Very high	59 Å²	59	24.6 Å²	24.6	36%	0.362	11%	0.112	S	C	.	.	S	Bend	trans	-80.7	-14.1	-177.7	53.2	0	0	0	0	113.7	A91 P92 T225 P226 L227	A91-T315 WeakPolarHBondContact CB-O 3.41Å; P92-T315 WeakPolarHBondContact CD-O 3.37Å; T225-T315 WeakPolarHBondContact CG2-OG1 3.45Å; T225-T315 WeakPolarHBondContact OG1-CB 3.44Å; T225-T315 PolarHBondContact OG1-OG1 3.05Å; P226-T315 HydrophobicContact CB-CG2 4.39Å; P226-T315 WeakPolarHBondContact CD-OG1 3.39Å; L227-T315 PolarHBondContact N-OG1 3.23Å; L227-T315 PolarHBondContact O-N 2.88Å; L227-T315 PolarHBondContact O-OG1 3.31Å
316	K	98.8	Very high	98.7	Very high	31 Å²	31	28.1 Å²	28.1	14%	0.135	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.7	156.5	-67.8	178.6	-178.7	169.3	0	109.8	P92 V94 E222 L224 T225 L227 F228 P314	P92-K316 HydrophobicContact CB-CG 4.5Å; P92-K316 HydrophobicContact CG-CG 4.46Å; P92-K316 WeakPolarHBondContact O-CA 3.2Å; V94-K316 HydrophobicContact CG2-CB 4.36Å; V94-K316 HydrophobicContact CG2-CD 4.1Å; E222-K316 WeakPolarHBondContact O-CD 3.44Å; E222-K316 PolarHBondContact O-NZ 2.73Å; L224-K316 WeakPolarHBondContact O-CE 3.31Å; L224-K316 PolarHBondContact O-NZ 2.94Å; T225-K316 HydrophobicContact CG2-CB 3.77Å; T225-K316 HydrophobicContact CG2-CD 4.03Å; T225-K316 HydrophobicContact CG2-CG 3.83Å; L227-K316 PolarHBondContact O-N 2.8Å; F228-K316 VanDerWaalsContact CA-O 3.27Å; F228-K316 WeakPolarHBondContact CA-O 3.49Å; F228-K316 HydrophobicContact CB-CB 4.34Å; F228-K316 VanDerWaalsContact CB-O 3.3Å; F228-K316 WeakPolarHBondContact CB-O 3.4Å; P314-K316 WeakPolarHBondContact CB-O 3.19Å
317	V	98.9	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.4	168.7	176.3	0	0	0	0	108.3	T87 W89 P92 I93 V94 G229 L231 Y264 P314	T87-V317 HydrophobicContact CG2-CG2 3.87Å; W89-V317 HydrophobicContact CZ2-CG2 4.3Å; P92-V317 PolarHBondContact O-N 3.22Å; I93-V317 CarbonylContact C-O 3.52Å; I93-V317 VanDerWaalsContact CA-O 3.25Å; I93-V317 WeakPolarHBondContact CA-O 3.25Å; I93-V317 HydrophobicContact CG1-CB 4.28Å; I93-V317 HydrophobicContact CG2-CB 4.33Å; I93-V317 HydrophobicContact CG2-CG1 4.25Å; V94-V317 PolarHBondContact N-O 2.72Å; G229-V317 WeakPolarHBondContact O-CA 3.41Å; L231-V317 HydrophobicContact CD1-CG1 4.33Å; L231-V317 HydrophobicContact CD2-CG1 3.71Å; L231-V317 HydrophobicContact CG-CG1 3.66Å; Y264-V317 HydrophobicContact CE1-CG1 4.05Å; Y264-V317 HydrophobicContact CE1-CG2 4.06Å; P314-V317 HydrophobicContact CG-CG2 3.91Å
318	L	98.9	Very high	98.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.5	176.4	-51.6	-171.5	0	0	0	110.1	V94 I223 F228 G229 T230 L231 F268 Y322	V94-L318 HydrophobicContact CB-CD2 3.93Å; V94-L318 HydrophobicContact CG2-CD2 3.76Å; I223-L318 HydrophobicContact CB-CD1 3.93Å; I223-L318 HydrophobicContact CB-CD2 3.75Å; I223-L318 HydrophobicContact CB-CG 4.5Å; I223-L318 HydrophobicContact CG2-CD1 3.83Å; I223-L318 HydrophobicContact CG2-CD2 3.76Å; I223-L318 HydrophobicContact CG2-CG 4.47Å; F228-L318 HydrophobicContact CD2-CD1 3.62Å; F228-L318 HydrophobicContact CD2-CD2 4.48Å; F228-L318 HydrophobicContact CD2-CG 3.79Å; F228-L318 HydrophobicContact CE2-CD1 3.59Å; F228-L318 HydrophobicContact CE2-CG 4.29Å; F228-L318 HydrophobicContact CG-CG 4.47Å; F228-L318 HydrophobicContact CZ-CD1 4.47Å; G229-L318 PolarHBondContact O-N 2.85Å; T230-L318 HydrophobicContact CG2-CB 4Å; L231-L318 WeakPolarHBondContact CG-O 3.5Å; L231-L318 PolarHBondContact N-O 2.92Å; F268-L318 HydrophobicContact CD1-CD1 4.37Å; F268-L318 HydrophobicContact CE1-CD1 3.92Å; F268-L318 HydrophobicContact CZ-CD1 4.05Å; L318-Y322 HydrophobicContact CB-CD2 4.01Å; L318-Y322 HydrophobicContact CB-CG 4.05Å; L318-Y322 HydrophobicContact CD1-CD1 4.21Å; L318-Y322 HydrophobicContact CD1-CG 4.1Å
319	S	98.9	Very high	98.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.			trans	-69.8	166.4	173.4	64.8	0	0	0	0	112.2	V94 E321 Y322	V94-S319 WeakPolarHBondContact O-CB 3.26Å; V94-S319 PolarHBondContact O-N 3.35Å; V94-S319 VanDerWaalsContact O-N 3.14Å; V94-S319 PolarHBondContact O-OG 3.44Å; S319-E321 PolarHBondContact O-N 3.45Å; S319-E321 WeakPolarHBondContact OG-CB 3.49Å; S319-E321 WeakPolarHBondContact OG-CG 3.48Å; S319-Y322 PolarHBondContact O-N 3Å
320	P	98.7	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-63.6	-5.5	174.3	-18.2	31.8	0	0	0	114.3	L231 P233 Y236 Y322 L323 W324 L335	L231-P320 HydrophobicContact CB-CG 4.05Å; P233-P320 HydrophobicContact CB-CB 4.34Å; Y236-P320 HydrophobicContact CD1-CB 4.4Å; Y236-P320 HydrophobicContact CD1-CG 3.67Å; Y236-P320 HydrophobicContact CD2-CG 4.27Å; Y236-P320 HydrophobicContact CE1-CG 4.39Å; Y236-P320 HydrophobicContact CG-CG 3.6Å; P320-Y322 PolarHBondContact O-N 2.58Å; P320-L323 CarbonylContact O-C 3.52Å; P320-L323 VanDerWaalsContact O-C 3.3Å; P320-L323 PolarHBondContact O-N 2.92Å; P320-W324 HydrophobicContact CB-CE3 3.56Å; P320-W324 HydrophobicContact CB-CZ3 3.65Å; P320-L335 HydrophobicContact CB-CD2 4.12Å
321	E	98.8	Very high	98.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-58.9	-29	166.8	-59.8	-177.7	175.1	0	0	111.3	R80 W95 E96 S319 L335 R336 K337 R339	R80-E321 IonicContact NH1-OE1 3.96Å; R80-E321 PolarHBondContact NH1-OE1 2.92Å; W95-E321 HydrophobicContact CE3-CG 4.11Å; W95-E321 HydrophobicContact CZ3-CG 4.46Å; E96-E321 WeakPolarHBondContact CB-OE2 3.33Å; E96-E321 PolarHBondContact N-OE1 3.01Å; E96-E321 PolarHBondContact N-OE2 3.05Å; S319-E321 PolarHBondContact O-N 3.45Å; S319-E321 WeakPolarHBondContact OG-CB 3.49Å; S319-E321 WeakPolarHBondContact OG-CG 3.48Å; E321-L335 HydrophobicContact CB-CD2 4.47Å; E321-L335 HydrophobicContact CG-CB 4.47Å; E321-L335 HydrophobicContact CG-CD2 3.67Å; E321-R336 PolarHBondContact OE1-N 2.88Å; E321-K337 WeakPolarHBondContact CB-O 3.38Å; E321-K337 WeakPolarHBondContact CG-O 3.18Å; E321-R339 HydrophobicContact CB-CG 4.35Å; E321-R339 WeakPolarHBondContact O-CB 3.11Å; E321-R339 WeakPolarHBondContact O-CG 3.43Å; E321-R339 PolarHBondContact O-N 3.19Å; E321-R339 IonicContact OE2-CZ 3.27Å; E321-R339 IonicContact OE2-NE 3.19Å; E321-R339 PolarHBondContact OE2-NE 2.68Å; E321-R339 IonicContact OE2-NH2 3.62Å; E321-R339 PolarHBondContact OE2-NH2 3.16Å
322	Y	98.9	Very high	98.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-89.6	-8.2	-179.8	-68.4	-91.2	0	0	0	114	V94 V219 E222 I223 F268 L318 S319 P320 R339 F340	V94-Y322 HydrophobicContact CB-CE2 4.23Å; V94-Y322 HydrophobicContact CG1-CE2 3.78Å; V219-Y322 HydrophobicContact CG1-CD1 4.14Å; V219-Y322 HydrophobicContact CG1-CE1 4.22Å; V219-Y322 HydrophobicContact CG2-CD1 4.12Å; V219-Y322 HydrophobicContact CG2-CE1 4.32Å; E222-Y322 WeakPolarHBondContact CG-OH 3.37Å; E222-Y322 WeakPolarHBondContact OE1-CE1 3.33Å; E222-Y322 PolarHBondContact OE1-OH 3.12Å; I223-Y322 HydrophobicContact CG2-CD1 3.8Å; I223-Y322 HydrophobicContact CG2-CE1 3.35Å; F268-Y322 WeakPolarHBondContact CD2-O 3.19Å; F268-Y322 VanDerWaalsContact CE2-O 3.27Å; F268-Y322 WeakPolarHBondContact CE2-O 3.34Å; L318-Y322 HydrophobicContact CB-CD2 4.01Å; L318-Y322 HydrophobicContact CB-CG 4.05Å; L318-Y322 HydrophobicContact CD1-CD1 4.21Å; L318-Y322 HydrophobicContact CD1-CG 4.1Å; S319-Y322 PolarHBondContact O-N 3Å; P320-Y322 PolarHBondContact O-N 2.58Å; Y322-R339 VanDerWaalsContact CE1-CD 3.42Å; Y322-F340 WeakPolarHBondContact O-CB 3.21Å
323	L	98.2	Very high	98.1	Very high	6 Å²	6	45 Å²	45	3%	0.031	24%	0.243	C	C	.	.	S	Bend	trans	-157.1	112.6	168.7	-169.4	138.4	0	0	0	110.3	M213 T230 P233 M265 A267 F268 P320 F340	M213-L323 HydrophobicContact CE-CD1 3.92Å; M213-L323 HydrophobicContact CE-CG 3.75Å; T230-L323 HydrophobicContact CG2-CB 3.86Å; P233-L323 WeakPolarHBondContact CB-O 3.33Å; P233-L323 HydrophobicContact CG-CD2 3.91Å; M265-L323 HydrophobicContact CB-CD2 4.44Å; M265-L323 HydrophobicContact CE-CD2 4.13Å; M265-L323 HydrophobicContact CG-CD1 3.86Å; M265-L323 HydrophobicContact CG-CD2 3.66Å; M265-L323 HydrophobicContact CG-CG 4.34Å; M265-L323 HydrophobicContact SD-CD2 3.64Å; A267-L323 HydrophobicContact CB-CD1 3.68Å; F268-L323 HydrophobicContact CB-CD1 3.73Å; P320-L323 CarbonylContact O-C 3.52Å; P320-L323 VanDerWaalsContact O-C 3.3Å; P320-L323 PolarHBondContact O-N 2.92Å; L323-F340 WeakPolarHBondContact CA-O 3.39Å; L323-F340 HydrophobicContact CD1-CD1 4.39Å; L323-F340 HydrophobicContact CD1-CE1 4.34Å
324	W	98.6	Very high	98	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.015	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-139.2	148.6	-173.3	-163.9	-108.1	0	0	0	114	P233 Y236 P320 L329 G330 P332 L335 L338 F340 T341 A342	P233-W324 HydrophobicContact CB-CD2 4.2Å; P233-W324 HydrophobicContact CB-CE3 3.31Å; P233-W324 HydrophobicContact CB-CH2 4.45Å; P233-W324 HydrophobicContact CB-CZ3 3.46Å; P233-W324 VanDerWaalsContact CB-CZ3 3.46Å; Y236-W324 HydrophobicContact CD1-CZ3 4.29Å; Y236-W324 AromaticContact CE1-CH2 3.8Å; Y236-W324 HydrophobicContact CE1-CH2 3.8Å; Y236-W324 AromaticContact CE1-CZ3 3.74Å; Y236-W324 HydrophobicContact CE1-CZ3 3.74Å; P320-W324 HydrophobicContact CB-CE3 3.56Å; P320-W324 HydrophobicContact CB-CZ3 3.65Å; W324-L329 HydrophobicContact CE3-CD1 4.45Å; W324-L329 HydrophobicContact CH2-CB 3.86Å; W324-L329 HydrophobicContact CH2-CD1 3.9Å; W324-L329 HydrophobicContact CZ2-CB 3.3Å; W324-L329 HydrophobicContact CZ2-CD1 4.05Å; W324-L329 HydrophobicContact CZ2-CG 4.32Å; W324-L329 HydrophobicContact CZ3-CD1 4.11Å; W324-G330 PolarHBondContact NE1-O 2.97Å; W324-P332 HydrophobicContact CH2-CG 3.91Å; W324-P332 VanDerWaalsContact CZ2-CD 3.45Å; W324-P332 HydrophobicContact CZ2-CG 3.69Å; W324-L335 HydrophobicContact CD2-CD1 3.37Å; W324-L335 VanDerWaalsContact CE2-CD1 3.4Å; W324-L335 HydrophobicContact CE3-CD1 3.46Å; W324-L335 VanDerWaalsContact CE3-CD1 3.46Å; W324-L335 HydrophobicContact CG-CD1 4.07Å; W324-L335 HydrophobicContact CH2-CD1 3.71Å; W324-L335 HydrophobicContact CZ2-CD1 3.58Å; W324-L335 HydrophobicContact CZ3-CD1 3.65Å; W324-L338 HydrophobicContact CB-CD2 4.15Å; W324-L338 HydrophobicContact CD2-CD2 4.38Å; W324-L338 HydrophobicContact CG-CD2 3.76Å; W324-F340 PolarHBondContact N-O 3.07Å; W324-T341 HydrophobicContact CB-CG2 4.35Å; W324-T341 CarbonylContact O-C 3.55Å; W324-T341 WeakPolarHBondContact O-CA 3.24Å; W324-A342 PolarHBondContact O-N 3.33Å
325	D	98.1	Very high	97.9	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.193	24%	0.236	C	C	.	.			trans	-113.2	99.6	167	-170.5	-39.8	0	0	0	109.2	Q327 L328 L329 A342	D325-Q327 VanDerWaalsContact C-N 3.27Å; D325-Q327 PolarHBondContact O-N 3.43Å; D325-Q327 WeakPolarHBondContact OD1-CA 3.13Å; D325-Q327 WeakPolarHBondContact OD1-CB 3.34Å; D325-Q327 PolarHBondContact OD1-N 2.8Å; D325-L328 HydrophobicContact CB-CB 4.32Å; D325-L328 PolarHBondContact OD1-N 2.69Å; D325-L328 WeakPolarHBondContact OD2-CD1 3.42Å; D325-L329 VanDerWaalsContact O-CB 3.3Å; D325-L329 WeakPolarHBondContact O-CB 3.37Å; D325-L329 PolarHBondContact O-N 3.27Å; D325-A342 HydrophobicContact CB-CB 4.18Å
326	Q	96.9	Very high	97.9	Very high	74 Å²	74	46 Å²	46	35%	0.346	24%	0.241	S	C	.	.	H	α-helix	trans	-69.8	-26	-179.2	-164.7	-172.1	7.6	0	0	112.4	G330 L338	Q326-G330 WeakPolarHBondContact CG-O 3.49Å; Q326-G330 VanDerWaalsContact O-CA 3.29Å; Q326-G330 WeakPolarHBondContact O-CA 3.11Å; Q326-G330 PolarHBondContact O-N 2.83Å; Q326-L338 HydrophobicContact CB-CD1 4.34Å; Q326-L338 HydrophobicContact CG-CD1 4.05Å
327	Q	95.8	Very high	97.9	Very high	140 Å²	140	46.8 Å²	46.8	65%	0.654	25%	0.245	S	C	*	.	H	α-helix	trans	-73	-39.9	-179.1	-177	177.8	0.8	0	0	111	D325	D325-Q327 VanDerWaalsContact C-N 3.27Å; D325-Q327 PolarHBondContact O-N 3.43Å; D325-Q327 WeakPolarHBondContact OD1-CA 3.13Å; D325-Q327 WeakPolarHBondContact OD1-CB 3.34Å; D325-Q327 PolarHBondContact OD1-N 2.8Å
328	L	95.8	Very high	97.9	Very high	134 Å²	134	47.1 Å²	47.1	70%	0.702	25%	0.247	S	C	*	.	H	α-helix	trans	-87	-32.4	-179.7	-62.9	-179.5	0	0	0	113.5	D325	D325-L328 HydrophobicContact CB-CB 4.32Å; D325-L328 PolarHBondContact OD1-N 2.69Å; D325-L328 WeakPolarHBondContact OD2-CD1 3.42Å
329	L	97.6	Very high	97.9	Very high	63 Å²	63	47.2 Å²	47.2	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-119.5	0.2	-167.8	-53.4	170.6	0	0	0	114	P233 W324 D325	P233-L329 HydrophobicContact CB-CD1 3.61Å; P233-L329 HydrophobicContact CG-CD1 4.15Å; W324-L329 HydrophobicContact CE3-CD1 4.45Å; W324-L329 HydrophobicContact CH2-CB 3.86Å; W324-L329 HydrophobicContact CH2-CD1 3.9Å; W324-L329 HydrophobicContact CZ2-CB 3.3Å; W324-L329 HydrophobicContact CZ2-CD1 4.05Å; W324-L329 HydrophobicContact CZ2-CG 4.32Å; W324-L329 HydrophobicContact CZ3-CD1 4.11Å; D325-L329 VanDerWaalsContact O-CB 3.3Å; D325-L329 WeakPolarHBondContact O-CB 3.37Å; D325-L329 PolarHBondContact O-N 3.27Å
330	G	97.9	Very high	97.9	Very high	34 Å²	34	47.2 Å²	47.2	35%	0.351	25%	0.247	S	C	.	.			trans	65.2	-145.7	-179.3	0	0	0	0	0	112.7	W324 Q326	W324-G330 PolarHBondContact NE1-O 2.97Å; Q326-G330 WeakPolarHBondContact CG-O 3.49Å; Q326-G330 VanDerWaalsContact O-CA 3.29Å; Q326-G330 WeakPolarHBondContact O-CA 3.11Å; Q326-G330 PolarHBondContact O-N 2.83Å
331	W	98.1	Very high	97.9	Very high	147 Å²	147	47.2 Å²	47.2	56%	0.557	25%	0.247	S	C	*	.			trans	-134	86.8	172.9	-168.6	-18.9	0	0	0	109.6	L335 L338	W331-L335 PolarHBondContact NE1-O 3.48Å; W331-L338 HydrophobicContact CB-CD1 4.37Å; W331-L338 HydrophobicContact CD2-CD1 3.6Å; W331-L338 HydrophobicContact CD2-CG 3.88Å; W331-L338 HydrophobicContact CE3-CD1 3.75Å; W331-L338 HydrophobicContact CE3-CG 4.32Å; W331-L338 HydrophobicContact CG-CD1 3.89Å; W331-L338 HydrophobicContact CG-CD2 4.48Å; W331-L338 HydrophobicContact CG-CG 4.24Å; W331-L338 HydrophobicContact CZ2-CG 4.11Å; W331-L338 HydrophobicContact CZ3-CD1 4.29Å
332	P	97.5	Very high	97.8	Very high	38 Å²	38	48 Å²	48	25%	0.247	25%	0.254	C	S	.	.			trans	-69.3	144.7	178.2	28.1	-35.4	0	0	0	111.5	W324 V334 L335	W324-P332 HydrophobicContact CH2-CG 3.91Å; W324-P332 VanDerWaalsContact CZ2-CD 3.45Å; W324-P332 HydrophobicContact CZ2-CG 3.69Å; P332-V334 HydrophobicContact CB-CG1 4.2Å; P332-V334 HydrophobicContact CG-CG1 4.16Å; P332-V334 PolarHBondContact O-N 3.02Å; P332-L335 HydrophobicContact CG-CD1 3.89Å; P332-L335 HydrophobicContact CG-CG 4.18Å; P332-L335 PolarHBondContact O-N 3.35Å
333	A	96.7	Very high	97.8	Very high	102 Å²	102	49 Å²	49	84%	0.843	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.2	-175	0	0	0	0	0	115.6	L335	A333-L335 VanDerWaalsContact C-N 3.3Å
334	V	97.2	Very high	97.5	Very high	29 Å²	29	52.9 Å²	52.9	18%	0.176	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.7	172.5	73.6	0	0	0	0	112.4	R80 V83 W95 Y236 P332	R80-V334 PolarHBondContact NH2-O 3.28Å; V83-V334 HydrophobicContact CG1-CG2 3.21Å; W95-V334 HydrophobicContact CH2-CG2 4.36Å; W95-V334 HydrophobicContact CZ3-CG2 4.21Å; Y236-V334 HydrophobicContact CE2-CG1 4.15Å; P332-V334 HydrophobicContact CB-CG1 4.2Å; P332-V334 HydrophobicContact CG-CG1 4.16Å; P332-V334 PolarHBondContact O-N 3.02Å
335	L	98.1	Very high	97.3	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	30%	0.296	C	S	.	.			trans	-94.4	108.3	175.1	-58.6	174.1	0	0	0	108.6	W95 P320 E321 W324 W331 P332 A333 K337 L338	W95-L335 HydrophobicContact CZ3-CD2 3.9Å; P320-L335 HydrophobicContact CB-CD2 4.12Å; E321-L335 HydrophobicContact CB-CD2 4.47Å; E321-L335 HydrophobicContact CG-CB 4.47Å; E321-L335 HydrophobicContact CG-CD2 3.67Å; W324-L335 HydrophobicContact CD2-CD1 3.37Å; W324-L335 VanDerWaalsContact CE2-CD1 3.4Å; W324-L335 HydrophobicContact CE3-CD1 3.46Å; W324-L335 VanDerWaalsContact CE3-CD1 3.46Å; W324-L335 HydrophobicContact CG-CD1 4.07Å; W324-L335 HydrophobicContact CH2-CD1 3.71Å; W324-L335 HydrophobicContact CZ2-CD1 3.58Å; W324-L335 HydrophobicContact CZ3-CD1 3.65Å; W331-L335 PolarHBondContact NE1-O 3.48Å; P332-L335 HydrophobicContact CG-CD1 3.89Å; P332-L335 HydrophobicContact CG-CG 4.18Å; P332-L335 PolarHBondContact O-N 3.35Å; A333-L335 VanDerWaalsContact C-N 3.3Å; L335-K337 VanDerWaalsContact C-N 3.31Å; L335-L338 HydrophobicContact CB-CD2 4.01Å; L335-L338 HydrophobicContact CD1-CD2 3.61Å; L335-L338 HydrophobicContact CG-CD2 4.42Å
336	R	98.1	Very high	97.1	Very high	124 Å²	124	58.7 Å²	58.7	47%	0.468	31%	0.314	S	S	.	.	S	Bend	trans	-78.2	-23.1	177.2	-61.6	-178.8	177.6	-172.5	-2.3	112.1	E96 E321	E96-R336 HydrophobicContact CB-CB 3.83Å; E96-R336 HydrophobicContact CB-CG 4.45Å; E96-R336 HydrophobicContact CG-CB 3.89Å; E321-R336 PolarHBondContact OE1-N 2.88Å
337	K	98.4	Very high	96.6	Very high	48 Å²	48	59.4 Å²	59.4	21%	0.209	32%	0.317	C	S	.	.			trans	-139.3	148.4	177.9	-68.8	178.4	169.2	-84.5	0	109.6	E96 D217 E321 L335 R339	E96-K337 HydrophobicContact CB-CD 4.49Å; E96-K337 HydrophobicContact CG-CD 4.06Å; E96-K337 HydrophobicContact CG-CG 4.28Å; E96-K337 WeakPolarHBondContact OE1-CE 3.45Å; E96-K337 WeakPolarHBondContact OE2-CD 3.47Å; E96-K337 WeakPolarHBondContact OE2-CE 3.3Å; D217-K337 IonicContact OD1-NZ 2.83Å; D217-K337 PolarHBondContact OD1-NZ 3.22Å; D217-K337 VanDerWaalsContact OD2-CD 3.3Å; D217-K337 WeakPolarHBondContact OD2-CD 3.41Å; D217-K337 VanDerWaalsContact OD2-CG 3.24Å; D217-K337 WeakPolarHBondContact OD2-CG 3.11Å; D217-K337 IonicContact OD2-NZ 2.68Å; D217-K337 PolarHBondContact OD2-NZ 3.42Å; E321-K337 WeakPolarHBondContact CB-O 3.38Å; E321-K337 WeakPolarHBondContact CG-O 3.18Å; L335-K337 VanDerWaalsContact C-N 3.31Å; K337-R339 HydrophobicContact CB-CG 4.08Å
338	L	98.7	Very high	96.2	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	32%	0.317	C	S	.	.			trans	-112.7	102.4	165.5	-58.2	-176.5	0	0	0	106.5	R216 W324 Q326 W331 L335 T341	R216-L338 WeakPolarHBondContact CB-O 3.45Å; W324-L338 HydrophobicContact CB-CD2 4.15Å; W324-L338 HydrophobicContact CD2-CD2 4.38Å; W324-L338 HydrophobicContact CG-CD2 3.76Å; Q326-L338 HydrophobicContact CB-CD1 4.34Å; Q326-L338 HydrophobicContact CG-CD1 4.05Å; W331-L338 HydrophobicContact CB-CD1 4.37Å; W331-L338 HydrophobicContact CD2-CD1 3.6Å; W331-L338 HydrophobicContact CD2-CG 3.88Å; W331-L338 HydrophobicContact CE3-CD1 3.75Å; W331-L338 HydrophobicContact CE3-CG 4.32Å; W331-L338 HydrophobicContact CG-CD1 3.89Å; W331-L338 HydrophobicContact CG-CD2 4.48Å; W331-L338 HydrophobicContact CG-CG 4.24Å; W331-L338 HydrophobicContact CZ2-CG 4.11Å; W331-L338 HydrophobicContact CZ3-CD1 4.29Å; L335-L338 HydrophobicContact CB-CD2 4.01Å; L335-L338 HydrophobicContact CD1-CD2 3.61Å; L335-L338 HydrophobicContact CG-CD2 4.42Å; L338-T341 HydrophobicContact CB-CG2 3.9Å
339	R	98.8	Very high	95.9	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	31%	0.306	C	S	.	.			trans	-91.7	-39	-166.3	-52	167	-175.7	-83.3	-1	112.5	E96 F215 R216 D217 H218 V219 E321 Y322 K337	E96-R339 IonicContact OE2-CZ 2.94Å; E96-R339 IonicContact OE2-NH1 2.72Å; E96-R339 IonicContact OE2-NH2 3.75Å; E96-R339 PolarHBondContact OE2-NH2 3.23Å; F215-R339 CarbonylContact C-O 3.42Å; F215-R339 WeakPolarHBondContact CA-O 3.43Å; R216-R339 PolarHBondContact N-O 2.84Å; D217-R339 HydrophobicContact CB-CB 4.41Å; D217-R339 HydrophobicContact CB-CG 4.27Å; D217-R339 PolarHBondContact N-O 3.31Å; H218-R339 WeakPolarHBondContact O-CD 3.47Å; H218-R339 PolarHBondContact O-NH1 3.15Å; V219-R339 HydrophobicContact CG2-CB 3.64Å; E321-R339 HydrophobicContact CB-CG 4.35Å; E321-R339 WeakPolarHBondContact O-CB 3.11Å; E321-R339 WeakPolarHBondContact O-CG 3.43Å; E321-R339 PolarHBondContact O-N 3.19Å; E321-R339 IonicContact OE2-CZ 3.27Å; E321-R339 IonicContact OE2-NE 3.19Å; E321-R339 PolarHBondContact OE2-NE 2.68Å; E321-R339 IonicContact OE2-NH2 3.62Å; E321-R339 PolarHBondContact OE2-NH2 3.16Å; Y322-R339 VanDerWaalsContact CE1-CD 3.42Å; K337-R339 HydrophobicContact CB-CG 4.08Å
340	F	98.8	Very high	95.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	121	-179.1	-179.9	-116.6	0	0	0	108.7	F132 V209 M213 E214 F215 F268 Y322 L323 W324	F132-F340 HydrophobicContact CD2-CE2 4.26Å; F132-F340 AromaticContact CE2-CE2 3.91Å; F132-F340 HydrophobicContact CE2-CE2 3.91Å; F132-F340 AromaticContact CE2-CZ 4Å; F132-F340 HydrophobicContact CE2-CZ 4Å; V209-F340 HydrophobicContact CB-CE1 4.14Å; V209-F340 HydrophobicContact CB-CZ 3.95Å; V209-F340 HydrophobicContact CG1-CE1 4.16Å; V209-F340 HydrophobicContact CG1-CZ 4.29Å; V209-F340 HydrophobicContact CG2-CZ 4.23Å; M213-F340 HydrophobicContact CB-CD1 4.44Å; M213-F340 HydrophobicContact CB-CD2 4.1Å; M213-F340 HydrophobicContact CB-CE1 3.77Å; M213-F340 HydrophobicContact CB-CE2 3.35Å; M213-F340 HydrophobicContact CB-CZ 3.17Å; M213-F340 HydrophobicContact CE-CD1 3.57Å; M213-F340 HydrophobicContact CE-CE1 3.6Å; M213-F340 HydrophobicContact CE-CG 4.21Å; M213-F340 HydrophobicContact CE-CZ 4.25Å; M213-F340 HydrophobicContact CG-CE1 3.75Å; M213-F340 HydrophobicContact CG-CE2 4.25Å; M213-F340 HydrophobicContact CG-CZ 3.57Å; E214-F340 CarbonylContact O-C 3.55Å; E214-F340 WeakPolarHBondContact O-CA 3.36Å; E214-F340 WeakPolarHBondContact O-CD2 3.3Å; F215-F340 HydrophobicContact CD1-CB 4.22Å; F215-F340 AromaticContact CD1-CD2 3.6Å; F215-F340 HydrophobicContact CD1-CD2 3.6Å; F215-F340 HydrophobicContact CD1-CE2 4.31Å; F215-F340 HydrophobicContact CD1-CG 4.26Å; F215-F340 AromaticContact CD2-CD2 3.84Å; F215-F340 HydrophobicContact CD2-CD2 3.84Å; F215-F340 AromaticContact CD2-CE2 3.93Å; F215-F340 HydrophobicContact CD2-CE2 3.93Å; F215-F340 HydrophobicContact CE1-CB 4.45Å; F215-F340 AromaticContact CE1-CD2 3.57Å; F215-F340 HydrophobicContact CE1-CD2 3.57Å; F215-F340 AromaticContact CE1-CE2 3.95Å; F215-F340 HydrophobicContact CE1-CE2 3.95Å; F215-F340 HydrophobicContact CE1-CG 4.18Å; F215-F340 AromaticContact CE2-CD2 3.81Å; F215-F340 HydrophobicContact CE2-CD2 3.81Å; F215-F340 AromaticContact CE2-CE2 3.53Å; F215-F340 HydrophobicContact CE2-CE2 3.53Å; F215-F340 AromaticContact CG-CD2 3.74Å; F215-F340 HydrophobicContact CG-CD2 3.74Å; F215-F340 HydrophobicContact CG-CE2 4.3Å; F215-F340 AromaticContact CZ-CD2 3.68Å; F215-F340 HydrophobicContact CZ-CD2 3.68Å; F215-F340 AromaticContact CZ-CE2 3.54Å; F215-F340 HydrophobicContact CZ-CE2 3.54Å; F215-F340 HydrophobicContact CZ-CZ 4.35Å; F268-F340 AromaticContact CD2-CD1 3.72Å; F268-F340 HydrophobicContact CD2-CD1 3.72Å; F268-F340 HydrophobicContact CD2-CE1 4.03Å; F268-F340 HydrophobicContact CE2-CD1 4.03Å; Y322-F340 WeakPolarHBondContact O-CB 3.21Å; L323-F340 WeakPolarHBondContact CA-O 3.39Å; L323-F340 HydrophobicContact CD1-CD1 4.39Å; L323-F340 HydrophobicContact CD1-CE1 4.34Å; W324-F340 PolarHBondContact N-O 3.07Å
341	T	98.6	Very high	95.1	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.8	-163.6	55.1	0	0	0	0	113	M213 E214 R216 W324 L338	M213-T341 CarbonylContact C-O 3.3Å; M213-T341 VanDerWaalsContact CA-O 3.29Å; M213-T341 WeakPolarHBondContact CA-O 3.49Å; M213-T341 VanDerWaalsContact CE-C 3.49Å; E214-T341 WeakPolarHBondContact CG-OG1 3.37Å; E214-T341 PolarHBondContact N-O 3.43Å; E214-T341 PolarHBondContact O-N 3.01Å; R216-T341 VanDerWaalsContact CD-OG1 3.31Å; R216-T341 WeakPolarHBondContact CD-OG1 3.42Å; R216-T341 PolarHBondContact NE-OG1 3.3Å; R216-T341 VanDerWaalsContact NE-OG1 3.09Å; W324-T341 HydrophobicContact CB-CG2 4.35Å; W324-T341 CarbonylContact O-C 3.55Å; W324-T341 WeakPolarHBondContact O-CA 3.24Å; L338-T341 HydrophobicContact CB-CG2 3.9Å
342	A	98.2	Very high	94.3	Very high	17 Å²	17	50.8 Å²	50.8	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.7	177.3	0	0	0	0	0	112.5	M213 W324 D325	M213-A342 VanDerWaalsContact SD-CA 3.51Å; M213-A342 HydrophobicContact SD-CB 4Å; W324-A342 PolarHBondContact O-N 3.33Å; D325-A342 HydrophobicContact CB-CB 4.18Å
343	V	97.3	Very high	93.2	Very high	20 Å²	20	57.2 Å²	57.2	12%	0.121	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-83.2	129.8	170	178.1	0	0	0	0	108.5	F128 L131 D212 E214 K345	F128-V343 HydrophobicContact CD1-CB 4.32Å; F128-V343 HydrophobicContact CD1-CG1 4.06Å; F128-V343 HydrophobicContact CE1-CB 4.37Å; F128-V343 HydrophobicContact CE1-CG1 3.99Å; L131-V343 HydrophobicContact CD2-CG2 3.85Å; D212-V343 PolarHBondContact O-N 3.05Å; E214-V343 HydrophobicContact CB-CG2 4.12Å; E214-V343 HydrophobicContact CG-CG2 4.25Å; V343-K345 PolarHBondContact O-N 2.7Å
344	P	93.6	Very high	93.1	Very high	88 Å²	88	55 Å²	55	57%	0.571	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-56	130.9	176.2	-28.5	36.7	0	0	0	112.4
345	K	93.4	Very high	92.9	Very high	55 Å²	55	56.4 Å²	56.4	24%	0.239	30%	0.301	C	S	.	.			trans	-150.4	146.5	-173.5	55	177.4	166.4	-89.3	0	111.4	F128 D212 V343 H347	F128-K345 HydrophobicContact CZ-CB 4.09Å; D212-K345 HydrophobicContact CB-CD 4.15Å; D212-K345 WeakPolarHBondContact OD2-CD 3.32Å; D212-K345 WeakPolarHBondContact OD2-CE 2.95Å; D212-K345 IonicContact OD2-NZ 3.65Å; D212-K345 PolarHBondContact OD2-NZ 2.81Å; V343-K345 PolarHBondContact O-N 2.7Å; K345-H347 VanDerWaalsContact CE-NE2 3.29Å; K345-H347 WeakPolarHBondContact CE-NE2 3.35Å
346	N	93.8	Very high	92.6	Very high	106 Å²	106	59.3 Å²	59.3	57%	0.567	32%	0.317	S	S	*	.			trans	-89	106.7	166.2	-177.8	-43.2	0	0	0	108.9	Q348 A349 V350	N346-Q348 VanDerWaalsContact C-N 3.28Å; N346-Q348 PolarHBondContact O-N 2.83Å; N346-Q348 PolarHBondContact OD1-N 2.92Å; N346-A349 HydrophobicContact CB-CB 4Å; N346-A349 PolarHBondContact O-N 2.69Å; N346-A349 PolarHBondContact OD1-N 3.14Å; N346-V350 WeakPolarHBondContact O-CG1 3.1Å; N346-V350 PolarHBondContact O-N 3.08Å
347	H	86.6	Confident	92.2	Very high	90 Å²	90	55.5 Å²	55.5	42%	0.417	31%	0.308	S	S	.	.	H	α-helix	trans	-54.1	-40.5	-178.3	-71.4	110.6	0	0	0	113.5	K345 R351	K345-H347 VanDerWaalsContact CE-NE2 3.29Å; K345-H347 WeakPolarHBondContact CE-NE2 3.35Å; H347-R351 WeakPolarHBondContact O-CB 3.48Å; H347-R351 WeakPolarHBondContact O-CD 3.29Å; H347-R351 VanDerWaalsContact O-CG 3.24Å; H347-R351 WeakPolarHBondContact O-CG 3.03Å; H347-R351 PolarHBondContact O-N 2.93Å
348	Q	86.4	Confident	91.9	Very high	139 Å²	139	56 Å²	56	65%	0.65	31%	0.314	S	S	*	.	H	α-helix	trans	-69.4	-41.8	-179.5	-178.2	60.5	15.1	0	0	111.5	N346 N352	N346-Q348 VanDerWaalsContact C-N 3.28Å; N346-Q348 PolarHBondContact O-N 2.83Å; N346-Q348 PolarHBondContact OD1-N 2.92Å; Q348-N352 VanDerWaalsContact CD-ND2 3.33Å; Q348-N352 PolarHBondContact NE2-ND2 2.98Å; Q348-N352 PolarHBondContact O-ND2 2.03Å; Q348-N352 PolarHBondContact OE1-ND2 2.81Å
349	A	90	Very high	91.4	Very high	57 Å²	57	59.2 Å²	59.2	47%	0.471	33%	0.332	S	S	.	.	H	α-helix	trans	-74	-31.7	-177.6	0	0	0	0	0	113.8	K124 N346	K124-A349 WeakPolarHBondContact CD-O 3.29Å; K124-A349 PolarHBondContact NZ-O 3.01Å; N346-A349 HydrophobicContact CB-CB 4Å; N346-A349 PolarHBondContact O-N 2.69Å; N346-A349 PolarHBondContact OD1-N 3.14Å
350	V	90.8	Very high	90.9	Very high	20 Å²	20	63.4 Å²	63.4	12%	0.121	36%	0.356	C	S	.	.	H	α-helix	trans	-87.6	-29	-177.6	77.5	0	0	0	0	113.3	K124 Y125 F128 N346	K124-V350 HydrophobicContact CB-CG2 4.05Å; Y125-V350 HydrophobicContact CD2-CG2 4.11Å; Y125-V350 HydrophobicContact CE2-CG1 4.06Å; Y125-V350 HydrophobicContact CE2-CG2 3.97Å; F128-V350 HydrophobicContact CE2-CG2 3.85Å; F128-V350 HydrophobicContact CZ-CG2 4.14Å; N346-V350 WeakPolarHBondContact O-CG1 3.1Å; N346-V350 PolarHBondContact O-N 3.08Å
351	R	89	Confident	90.3	Very high	59 Å²	59	68.2 Å²	68.2	22%	0.223	38%	0.383	C	S	.	.	H	α-helix	trans	-84.7	-18	-178.6	-69.5	172.6	170.9	175.7	-0.8	114.2	Y125 W180 H347	Y125-R351 HydrophobicContact CE2-CG 4.3Å; W180-R351 HydrophobicContact CB-CB 3.93Å; W180-R351 HydrophobicContact CB-CG 3.89Å; W180-R351 HydrophobicContact CG-CB 4.06Å; W180-R351 HydrophobicContact CG-CG 3.96Å; H347-R351 WeakPolarHBondContact O-CB 3.48Å; H347-R351 WeakPolarHBondContact O-CD 3.29Å; H347-R351 VanDerWaalsContact O-CG 3.24Å; H347-R351 WeakPolarHBondContact O-CG 3.03Å; H347-R351 PolarHBondContact O-N 2.93Å
352	N	80.7	Confident	89.6	Confident	61 Å²	61	73.8 Å²	73.8	33%	0.326	42%	0.415	S	S	.	.			trans	-118.1	156.6	-177.4	-58	-76.9	0	0	0	110.9	K124 Q348	K124-N352 VanDerWaalsContact CE-O 3.24Å; K124-N352 WeakPolarHBondContact CE-O 3.19Å; K124-N352 PolarHBondContact NZ-O 2.74Å; Q348-N352 VanDerWaalsContact CD-ND2 3.33Å; Q348-N352 PolarHBondContact NE2-ND2 2.98Å; Q348-N352 PolarHBondContact O-ND2 2.03Å; Q348-N352 PolarHBondContact OE1-ND2 2.81Å
353	P	75.1	Confident	88.8	Confident	174 Å²	174	79 Å²	79	100%	1.13	44%	0.44	S	S	*	.			trans	-52.8	0	172.5	-26.3	36.5	0	0	0	114	K124	K124-P353 VanDerWaalsContact CE-OXT 3.25Å; K124-P353 WeakPolarHBondContact CE-OXT 3.02Å; K124-P353 PolarHBondContact NZ-OXT 3.08Å

Retrieved 353 of 353 residues in 1687.4 ms (Link to these results)

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