A0A5K4F5W5_SCHMA Loading...

Dyp-type peroxidase

AlphaFold DB (A0A5K4F769), UniProt , Accession A0A5K4F5W5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 374 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	34.1	Very low	241 Å²	241	159.3 Å²	159.3	100%	1.187	80%	0.803	S	S	*	*				0	108.3	0	-64.3	159.2	175.3	0	0	105.2
2	R	32.8	Very low	34	Very low	215 Å²	215	165.4 Å²	165.4	81%	0.811	81%	0.809	S	S	*	*				44.7	123.1	63.9	-80.3	-172.9	175.7	-169	1.8	110.4
3	F	32.5	Very low	33.9	Very low	175 Å²	175	164.4 Å²	164.4	77%	0.768	81%	0.81	S	S	*	*			cis	-143.2	-178.4	-1.6	-90.5	-62.5	0	0	0	107.4
4	M	36.3	Very low	34	Very low	160 Å²	160	162.8 Å²	162.8	79%	0.788	81%	0.813	S	S	*	*			cis	-151.9	-169.4	13.4	-150.3	169.7	175.9	0	0	110.4	F6	M4-F6 HydrophobicContact CE-CE2 4.27Å; M4-F6 HydrophobicContact SD-CE2 4.46Å
5	S	29.9	Very low	34	Very low	90 Å²	90	159.9 Å²	159.9	63%	0.629	81%	0.808	S	S	*	*			trans	-130.2	156.6	164.6	59.4	0	0	0	0	110.3
6	F	39.8	Very low	34	Very low	191 Å²	191	165.5 Å²	165.5	84%	0.838	82%	0.816	S	S	*	*			trans	-140.9	139.3	159.6	-110.7	-85.7	0	0	0	111.7	M4	M4-F6 HydrophobicContact CE-CE2 4.27Å; M4-F6 HydrophobicContact SD-CE2 4.46Å
7	L	31.7	Very low	34.1	Very low	139 Å²	139	167.2 Å²	167.2	73%	0.728	82%	0.818	S	S	*	*			trans	-100.1	165.4	-178.2	-89.1	75.6	0	0	0	111.5
8	V	36.7	Very low	33.8	Very low	126 Å²	126	165.2 Å²	165.2	76%	0.764	82%	0.817	S	S	*	*				148.6	105.3	117	175	0	0	0	0	113
9	K	30	Very low	34.3	Very low	198 Å²	198	162.5 Å²	162.5	86%	0.861	81%	0.813	S	S	*	*			trans	19.1	138	138	-58.5	176.3	175.7	178.5	0	122.7
10	G	34	Very low	34.2	Very low	67 Å²	67	162 Å²	162	69%	0.691	81%	0.812	S	S	*	*			trans	169.8	94.9	149.6	0	0	0	0	0	111.5
11	I	33.3	Very low	34.2	Very low	150 Å²	150	160.5 Å²	160.5	77%	0.769	81%	0.811	S	S	*	*				56.5	113.8	90.5	-57.9	173.8	0	0	0	110.9
12	R	32.9	Very low	33.6	Very low	233 Å²	233	157.2 Å²	157.2	88%	0.879	79%	0.793	S	S	*	*				-167.1	147.7	58.8	-136.8	157.7	-157.3	174.5	3.6	111.9
13	N	32.2	Very low	33.5	Very low	152 Å²	152	153.1 Å²	153.1	81%	0.813	80%	0.796	S	S	*	*			trans	-76.2	152.1	167.9	-80.5	-19.9	0	0	0	112
14	V	36	Very low	33.5	Very low	142 Å²	142	152.4 Å²	152.4	86%	0.861	80%	0.799	S	S	*	*			trans	-125.8	109.6	161.7	178.6	0	0	0	0	109
15	T	32.7	Very low	33.1	Very low	119 Å²	119	152.1 Å²	152.1	73%	0.73	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-103.2	124.6	171.1	42.4	0	0	0	0	109.6
16	R	34.9	Very low	33.3	Very low	250 Å²	250	154.4 Å²	154.4	94%	0.943	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-87.1	124.4	164.4	-87.7	-175.5	170.6	177.3	-1.8	108.9
17	K	36.1	Very low	32.8	Very low	195 Å²	195	149 Å²	149	85%	0.848	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-95.3	133.8	169.7	-73.8	-176.6	172.6	-175.4	0	109.8
18	T	28.4	Very low	32.9	Very low	131 Å²	131	146.3 Å²	146.3	80%	0.804	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-80.8	143	158.5	34.7	0	0	0	0	110.4
19	P	43.5	Very low	32.6	Very low	114 Å²	114	145.2 Å²	145.2	74%	0.74	81%	0.811	S	S	*	*			trans	-102.1	112.4	163.8	32.4	-23.7	0	0	0	110.7
20	I	31.4	Very low	32.8	Very low	152 Å²	152	144.8 Å²	144.8	78%	0.779	81%	0.809	S	S	*	*			trans	-73	135.8	161.4	-63.3	168.6	0	0	0	107.3	E22	I20-E22 HydrophobicContact CG2-CG 4.39Å
21	T	34	Very low	32.8	Very low	130 Å²	130	148.6 Å²	148.6	80%	0.798	81%	0.813	S	S	*	*			trans	-133.3	94.8	169.3	-42	0	0	0	0	109.8
22	E	27.1	Very low	32.9	Very low	173 Å²	173	147.6 Å²	147.6	81%	0.808	81%	0.814	S	S	*	*			trans	-90.3	139.1	160.4	-65.8	-176.2	138.6	0	0	109	I20	I20-E22 HydrophobicContact CG2-CG 4.39Å
23	C	30.4	Very low	33.1	Very low	129 Å²	129	141.6 Å²	141.6	87%	0.872	81%	0.805	S	S	*	*			trans	-156.2	142.9	154.7	-123.3	0	0	0	0	111.6
24	L	31.9	Very low	33.1	Very low	159 Å²	159	145.9 Å²	145.9	83%	0.832	81%	0.812	S	S	*	*			trans	-82.8	144.8	-170.9	-78.4	86.8	0	0	0	113.8
25	I	28.4	Very low	32.8	Very low	155 Å²	155	143.5 Å²	143.5	80%	0.795	81%	0.807	S	S	*	*			trans	-2.1	127.9	137.4	-43.6	176.9	0	0	0	115.9
26	V	33.7	Very low	32.8	Very low	137 Å²	137	144.6 Å²	144.6	83%	0.83	81%	0.813	S	S	*	*				178.5	125.8	116.3	155.5	0	0	0	0	111.9
27	G	30.7	Very low	32.7	Very low	79 Å²	79	143.5 Å²	143.5	81%	0.814	81%	0.811	S	S	*	*			trans	28.7	134.9	148.8	0	0	0	0	0	124.2
28	G	31.9	Very low	32.5	Very low	82 Å²	82	138.5 Å²	138.5	85%	0.845	80%	0.8	S	S	*	*			trans	158.7	97.4	158.3	0	0	0	0	0	114.9
29	S	31.2	Very low	32.8	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	80%	0.798	S	S	*	*			trans	-88	142.4	178.5	-53.2	0	0	0	0	112.5
30	F	34.5	Very low	32.4	Very low	188 Å²	188	143.9 Å²	143.9	83%	0.825	80%	0.801	S	S	*	*				160.4	134.8	114.3	-92	-67.5	0	0	0	114.8
31	L	34.1	Very low	32.6	Very low	147 Å²	147	143.4 Å²	143.4	77%	0.77	80%	0.795	S	S	*	*			trans	63.2	126.6	153.1	-56.3	171	0	0	0	119.2
32	V	34.2	Very low	32.7	Very low	130 Å²	130	142.7 Å²	142.7	79%	0.788	79%	0.785	S	S	*	*			cis	123.6	141.9	20.9	154.2	0	0	0	0	108.2
33	P	38.9	Very low	33.2	Very low	107 Å²	107	140 Å²	140	70%	0.695	78%	0.775	S	S	*	*				-124.5	-173.1	-125.4	42.5	-32.3	0	0	0	114.9
34	Y	30.9	Very low	33.7	Very low	241 Å²	241	136.7 Å²	136.7	95%	0.945	75%	0.754	S	S	*	*			trans	-126.6	143.7	155	-103.5	-92.1	0	0	0	111.4
35	A	30.4	Very low	33.9	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	75%	0.747	S	S	*	*			trans	-99.9	141.3	-165.1	0	0	0	0	0	113.6
36	V	32.6	Very low	34.2	Very low	142 Å²	142	137.6 Å²	137.6	86%	0.861	74%	0.741	S	S	*	*			trans	-133.6	116.1	157.1	-177.8	0	0	0	0	110
37	Y	33.6	Very low	34.3	Very low	228 Å²	228	136.7 Å²	136.7	89%	0.894	73%	0.731	S	S	*	*			trans	13.5	130.4	166.3	-88.9	-99.8	0	0	0	122.8
38	S	30.1	Very low	34.4	Very low	89 Å²	89	140.7 Å²	140.7	62%	0.622	73%	0.726	S	S	*	*			trans	-51	130	178.5	-173.9	0	0	0	0	116.2
39	K	35	Very low	34.6	Very low	176 Å²	176	141.3 Å²	141.3	77%	0.765	71%	0.713	S	S	*	*			trans	-129.3	6.1	152.8	-115.7	-178.4	-177.1	178.5	0	113.3
40	K	36.7	Very low	34.8	Very low	183 Å²	183	142.8 Å²	142.8	80%	0.796	71%	0.708	S	S	*	*	H	α-helix	trans	-81.3	-24.7	-166.8	-86.9	-173.7	171.7	-178.2	0	115.5	I42 L43 S44	K40-I42 PolarHBondContact O-N 2.93Å; K40-L43 PolarHBondContact O-N 3.13Å; K40-S44 PolarHBondContact O-N 3.06Å
41	E	35.2	Very low	34.9	Very low	141 Å²	141	136.6 Å²	136.6	66%	0.659	69%	0.692	S	S	*	*	H	α-helix	trans	-74.1	-22	-179.7	-72	-169.6	115.6	0	0	114.6	S44 K45	E41-S44 PolarHBondContact O-OG 3.46Å; E41-K45 PolarHBondContact O-N 3.12Å
42	I	36.3	Very low	34.8	Very low	116 Å²	116	132.3 Å²	132.3	60%	0.595	68%	0.677	S	S	*	*	H	α-helix	trans	-76.7	-33.2	176.5	-61.7	175.6	0	0	0	110.5	K40 R46	K40-I42 PolarHBondContact O-N 2.93Å; I42-R46 WeakPolarHBondContact O-CB 3.14Å; I42-R46 WeakPolarHBondContact O-CG 3.16Å; I42-R46 PolarHBondContact O-N 3.07Å
43	L	37.7	Very low	34.9	Very low	115 Å²	115	128.6 Å²	128.6	60%	0.602	66%	0.657	S	S	*	*	H	α-helix	trans	-71.7	-40.6	175	-92.6	110.9	0	0	0	112.6	K40 R46 L47	K40-L43 PolarHBondContact O-N 3.13Å; L43-R46 PolarHBondContact O-N 2.57Å; L43-L47 WeakPolarHBondContact O-CB 3.37Å; L43-L47 PolarHBondContact O-N 3.19Å
44	S	40	Very low	35.5	Very low	60 Å²	60	126.6 Å²	126.6	42%	0.42	65%	0.649	S	S	.	*	H	α-helix	trans	-65	-41.7	177.8	61.5	0	0	0	0	112	K40 E41 L47 F48	K40-S44 PolarHBondContact O-N 3.06Å; E41-S44 PolarHBondContact O-OG 3.46Å; S44-L47 PolarHBondContact O-N 2.74Å; S44-F48 PolarHBondContact O-N 2.82Å
45	K	35.3	Very low	36.6	Very low	156 Å²	156	119.6 Å²	119.6	68%	0.678	63%	0.632	S	S	*	*	H	α-helix	trans	-63.9	-39.7	173	-74.8	-177.3	177.6	176.1	0	112.3	E41 V49	E41-K45 PolarHBondContact O-N 3.12Å; K45-V49 WeakPolarHBondContact O-CB 3.3Å; K45-V49 WeakPolarHBondContact O-CG2 3.39Å; K45-V49 PolarHBondContact O-N 3.26Å
46	R	36.1	Very low	38	Very low	178 Å²	178	124 Å²	124	67%	0.672	63%	0.629	S	S	*	*	H	α-helix	trans	-64.7	-39	172.6	-80.7	-173.3	172.8	-159.8	-2.6	112.9	I42 L43 V49 H50	I42-R46 WeakPolarHBondContact O-CB 3.14Å; I42-R46 WeakPolarHBondContact O-CG 3.16Å; I42-R46 PolarHBondContact O-N 3.07Å; L43-R46 PolarHBondContact O-N 2.57Å; R46-V49 PolarHBondContact O-N 3.32Å; R46-H50 WeakPolarHBondContact O-CB 3.49Å; R46-H50 PolarHBondContact O-N 3.44Å
47	L	34.7	Very low	40	Very low	118 Å²	118	120.5 Å²	120.5	62%	0.618	60%	0.602	S	S	*	*	H	α-helix	trans	-66.6	-44.8	176.9	-122.5	73.5	0	0	0	112.3	L43 S44 H50 A51	L43-L47 WeakPolarHBondContact O-CB 3.37Å; L43-L47 PolarHBondContact O-N 3.19Å; S44-L47 PolarHBondContact O-N 2.74Å; L47-H50 PolarHBondContact O-N 3.2Å; L47-A51 PolarHBondContact O-N 2.73Å
48	F	33	Very low	42.8	Very low	163 Å²	163	111.3 Å²	111.3	72%	0.715	57%	0.573	S	S	*	*	H	α-helix	trans	-65.7	-37.4	175.6	-95.2	-85.4	0	0	0	112.3	S44 A51 A52	S44-F48 PolarHBondContact O-N 2.82Å; F48-A51 PolarHBondContact O-N 3.33Å; F48-A52 WeakPolarHBondContact O-CB 3.27Å; F48-A52 PolarHBondContact O-N 3.28Å
49	V	35.3	Very low	45.9	Very low	94 Å²	94	109 Å²	109	57%	0.57	56%	0.556	S	S	*	*	H	α-helix	trans	-63.8	-44.2	170.9	169.3	0	0	0	0	110.5	K45 R46 A51 C53	K45-V49 WeakPolarHBondContact O-CB 3.3Å; K45-V49 WeakPolarHBondContact O-CG2 3.39Å; K45-V49 PolarHBondContact O-N 3.26Å; R46-V49 PolarHBondContact O-N 3.32Å; V49-A51 PolarHBondContact O-N 3.48Å; V49-C53 WeakPolarHBondContact O-CB 3.2Å; V49-C53 PolarHBondContact O-N 2.82Å
50	H	36.6	Very low	48.8	Very low	134 Å²	134	100.9 Å²	100.9	62%	0.62	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-41.9	175.4	-80.9	-9.1	0	0	0	113.1	R46 L47 C53 A54	R46-H50 WeakPolarHBondContact O-CB 3.49Å; R46-H50 PolarHBondContact O-N 3.44Å; L47-H50 PolarHBondContact O-N 3.2Å; H50-C53 PolarHBondContact O-N 3.43Å; H50-A54 WeakPolarHBondContact O-CB 3.41Å; H50-A54 PolarHBondContact O-N 2.81Å
51	A	36.3	Very low	51.6	Low	58 Å²	58	93.9 Å²	93.9	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-46.3	177.5	0	0	0	0	0	112.6	L47 F48 V49 C53 A54 T55	L47-A51 PolarHBondContact O-N 2.73Å; F48-A51 PolarHBondContact O-N 3.33Å; V49-A51 PolarHBondContact O-N 3.48Å; A51-C53 VanDerWaalsContact C-N 3.32Å; A51-C53 PolarHBondContact O-N 2.69Å; A51-A54 PolarHBondContact O-N 2.67Å; A51-T55 PolarHBondContact O-N 2.89Å; A51-T55 VanDerWaalsContact O-N 3.13Å; A51-T55 PolarHBondContact O-OG1 2.84Å
52	A	32.7	Very low	54.5	Low	57 Å²	57	87.1 Å²	87.1	47%	0.471	47%	0.469	S	S	.	.	H	α-helix	trans	-71.4	-26.1	177.7	0	0	0	0	0	113.4	F48 T55 R56	F48-A52 WeakPolarHBondContact O-CB 3.27Å; F48-A52 PolarHBondContact O-N 3.28Å; A52-T55 PolarHBondContact O-OG1 3.09Å; A52-R56 PolarHBondContact O-N 2.78Å
53	C	36.6	Very low	57.4	Low	52 Å²	52	81.7 Å²	81.7	35%	0.351	44%	0.441	S	S	.	.	H	α-helix	trans	-73.2	-49	171.7	-162.6	0	0	0	0	109.8	V49 H50 A51 T55 R56 F57	V49-C53 WeakPolarHBondContact O-CB 3.2Å; V49-C53 PolarHBondContact O-N 2.82Å; H50-C53 PolarHBondContact O-N 3.43Å; A51-C53 VanDerWaalsContact C-N 3.32Å; A51-C53 PolarHBondContact O-N 2.69Å; C53-T55 PolarHBondContact O-N 3.2Å; C53-R56 PolarHBondContact O-N 3.35Å; C53-F57 HydrophobicContact CB-CD2 4.48Å; C53-F57 WeakPolarHBondContact O-CD2 3.49Å; C53-F57 PolarHBondContact O-N 3.17Å; C53-F57 WeakPolarHBondContact SG-CD2 3.46Å; C53-F57 WeakPolarHBondContact SG-CE2 3.38Å
54	A	49.6	Very low	60.2	Low	65 Å²	65	77.8 Å²	77.8	54%	0.537	42%	0.422	S	S	.	.	H	α-helix	trans	-54.6	-39.2	177	0	0	0	0	0	112.6	H50 A51 A58	H50-A54 WeakPolarHBondContact O-CB 3.41Å; H50-A54 PolarHBondContact O-N 2.81Å; A51-A54 PolarHBondContact O-N 2.67Å; A54-A58 PolarHBondContact O-N 3.33Å
55	T	54.5	Low	62.8	Low	95 Å²	95	76 Å²	76	58%	0.583	41%	0.409	S	S	*	.	H	α-helix	trans	-73	-22.3	175.2	58.1	0	0	0	0	114.4	A51 A52 C53 P358	A51-T55 PolarHBondContact O-N 2.89Å; A51-T55 VanDerWaalsContact O-N 3.13Å; A51-T55 PolarHBondContact O-OG1 2.84Å; A52-T55 PolarHBondContact O-OG1 3.09Å; C53-T55 PolarHBondContact O-N 3.2Å; T55-P358 WeakPolarHBondContact O-CG 3.32Å
56	R	59.9	Low	65.5	Low	185 Å²	185	73 Å²	73	70%	0.698	40%	0.398	S	S	*	.	H	α-helix	trans	-84	-28.9	174.4	-83.2	-171.5	173.5	-169.1	-1.2	113.7	A52 C53	A52-R56 PolarHBondContact O-N 2.78Å; C53-R56 PolarHBondContact O-N 3.35Å
57	F	75.5	Confident	68.2	Low	67 Å²	67	67.8 Å²	67.8	29%	0.294	39%	0.386	S	S	.	.	S	Bend	trans	-107.5	12.7	-171.2	-65.9	-72.5	0	0	0	114.2	C53 P59 I224 T226	C53-F57 HydrophobicContact CB-CD2 4.48Å; C53-F57 WeakPolarHBondContact O-CD2 3.49Å; C53-F57 PolarHBondContact O-N 3.17Å; C53-F57 WeakPolarHBondContact SG-CD2 3.46Å; C53-F57 WeakPolarHBondContact SG-CE2 3.38Å; F57-P59 WeakPolarHBondContact O-CD 3.5Å; F57-P59 VanDerWaalsContact O-N 3.15Å; F57-I224 HydrophobicContact CD1-CG2 4.48Å; F57-T226 VanDerWaalsContact CE1-O 3.27Å; F57-T226 WeakPolarHBondContact CE1-O 3.15Å; F57-T226 VanDerWaalsContact CZ-O 3.29Å; F57-T226 WeakPolarHBondContact CZ-O 3.5Å
58	A	91.7	Very high	71.1	Confident	35 Å²	35	63 Å²	63	29%	0.289	36%	0.36	S	S	.	.			trans	-63.4	109.2	176.3	0	0	0	0	0	111.3	A54 S356 V357	A54-A58 PolarHBondContact O-N 3.33Å; A58-S356 WeakPolarHBondContact O-CA 3.47Å; A58-S356 WeakPolarHBondContact O-CB 3.48Å; A58-V357 PolarHBondContact O-N 3.32Å
59	P	94.7	Very high	74.1	Confident	41 Å²	41	57.3 Å²	57.3	27%	0.266	34%	0.341	S	S	.	.			trans	-80.4	160.5	-179.1	36.2	-34.9	0	0	0	110.5	F57 V63 V64 I224	F57-P59 WeakPolarHBondContact O-CD 3.5Å; F57-P59 VanDerWaalsContact O-N 3.15Å; P59-V63 HydrophobicContact CB-CB 4.38Å; P59-V64 HydrophobicContact CG-CG1 4.32Å; P59-V64 HydrophobicContact CG-CG2 3.7Å; P59-I224 HydrophobicContact CB-CD1 3.57Å; P59-I224 HydrophobicContact CB-CG1 4.35Å; P59-I224 HydrophobicContact CG-CD1 4.39Å
60	Q	97	Very high	77	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.028	32%	0.324	C	S	.	.			trans	-68.9	148.4	171.5	-68.3	-178	76	0	0	111	S62 V63 V117 P355 V357	Q60-S62 VanDerWaalsContact C-N 3.29Å; Q60-S62 PolarHBondContact O-N 3.44Å; Q60-S62 VanDerWaalsContact O-N 3.11Å; Q60-V63 HydrophobicContact CB-CG2 4.18Å; Q60-V63 WeakPolarHBondContact O-CB 3.37Å; Q60-V63 WeakPolarHBondContact O-CG2 3.41Å; Q60-V63 PolarHBondContact O-N 3.19Å; Q60-V117 PolarHBondContact NE2-O 3.32Å; Q60-P355 WeakPolarHBondContact CG-O 3.48Å; Q60-P355 PolarHBondContact NE2-O 2.56Å; Q60-V357 HydrophobicContact CG-CG2 4.09Å
61	G	95.1	Very high	80	Confident	35 Å²	35	48.8 Å²	48.8	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-58.3	-30	-164.3	0	0	0	0	0	115.7	S65 Y115	G61-S65 WeakPolarHBondContact O-CB 3.22Å; G61-S65 PolarHBondContact O-OG 3.46Å; G61-Y115 WeakPolarHBondContact CA-O 3.36Å; G61-Y115 PolarHBondContact N-O 3.2Å
62	S	96.9	Very high	82.9	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-77.9	-24.3	176.4	59.9	0	0	0	0	114.3	Q60 V64 Y115 G116 H161 K163 Q296	Q60-S62 VanDerWaalsContact C-N 3.29Å; Q60-S62 PolarHBondContact O-N 3.44Å; Q60-S62 VanDerWaalsContact O-N 3.11Å; S62-V64 PolarHBondContact O-N 2.85Å; S62-Y115 PolarHBondContact N-O 3.04Å; S62-Y115 VanDerWaalsContact N-O 3.09Å; S62-G116 WeakPolarHBondContact OG-CA 3.4Å; S62-G116 PolarHBondContact OG-N 3.33Å; S62-H161 VanDerWaalsContact CB-O 3.25Å; S62-H161 WeakPolarHBondContact CB-O 3.43Å; S62-H161 PolarHBondContact OG-O 3.05Å; S62-K163 PolarHBondContact O-NZ 2.93Å; S62-Q296 PolarHBondContact O-NE2 3.36Å; S62-Q296 PolarHBondContact O-OE1 3.29Å
63	V	97.1	Very high	86.1	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-47.4	-168.4	179	0	0	0	0	113.3	P59 Q60 A223 I224 Q296 Y314 F354	P59-V63 HydrophobicContact CB-CB 4.38Å; Q60-V63 HydrophobicContact CB-CG2 4.18Å; Q60-V63 WeakPolarHBondContact O-CB 3.37Å; Q60-V63 WeakPolarHBondContact O-CG2 3.41Å; Q60-V63 PolarHBondContact O-N 3.19Å; V63-A223 HydrophobicContact CG1-CB 4.14Å; V63-I224 HydrophobicContact CG1-CD1 3.73Å; V63-Q296 PolarHBondContact O-NE2 3.02Å; V63-Y314 HydrophobicContact CB-CD1 4.34Å; V63-Y314 HydrophobicContact CB-CE1 4.32Å; V63-Y314 HydrophobicContact CG1-CD1 3.82Å; V63-Y314 HydrophobicContact CG1-CE1 4.29Å; V63-Y314 HydrophobicContact CG1-CG 4.02Å; V63-Y314 HydrophobicContact CG2-CD1 4.24Å; V63-Y314 HydrophobicContact CG2-CE1 3.89Å; V63-Y314 WeakPolarHBondContact O-CD2 3.25Å; V63-F354 HydrophobicContact CG2-CB 4.19Å; V63-F354 HydrophobicContact CG2-CD1 4Å; V63-F354 HydrophobicContact CG2-CG 4.35Å
64	V	95.2	Very high	89	Confident	32 Å²	32	41 Å²	41	19%	0.194	23%	0.234	C	C	.	.	H	α-helix	trans	-111.6	-12.4	-176.1	-62.7	0	0	0	0	114.1	P59 S62 R219 A220 A223 I224	P59-V64 HydrophobicContact CG-CG1 4.32Å; P59-V64 HydrophobicContact CG-CG2 3.7Å; S62-V64 PolarHBondContact O-N 2.85Å; V64-R219 PolarHBondContact O-NE 3.28Å; V64-A220 HydrophobicContact CG1-CB 4.43Å; V64-A223 HydrophobicContact CG1-CB 4.17Å; V64-I224 HydrophobicContact CG1-CD1 3.99Å; V64-I224 HydrophobicContact CG1-CG1 4.15Å
65	S	94.5	Very high	91.4	Very high	23 Å²	23	38.8 Å²	38.8	16%	0.161	21%	0.214	C	C	.	.	S	Bend	trans	-65.6	159.1	179.1	55.7	0	0	0	0	112.7	G61 K163 R219 Q296	G61-S65 WeakPolarHBondContact O-CB 3.22Å; G61-S65 PolarHBondContact O-OG 3.46Å; S65-K163 PolarHBondContact O-NZ 2.88Å; S65-K163 PolarHBondContact OG-NZ 3.13Å; S65-R219 PolarHBondContact O-NH2 2.79Å; S65-Q296 PolarHBondContact O-NE2 3.23Å
66	E	92.2	Very high	93.5	Very high	94 Å²	94	34.3 Å²	34.3	44%	0.439	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-63.6	172.6	168.6	-67.2	-47.9	133.7	0	0	112.7	K163 R219	E66-K163 WeakPolarHBondContact O-CD 3.31Å; E66-K163 PolarHBondContact O-NZ 3.48Å; E66-R219 WeakPolarHBondContact OE1-CD 3.42Å; E66-R219 IonicContact OE1-CZ 2.72Å; E66-R219 IonicContact OE1-NE 3.35Å; E66-R219 PolarHBondContact OE1-NE 3.42Å; E66-R219 IonicContact OE1-NH1 2.67Å; E66-R219 PolarHBondContact OE1-NH1 3.43Å; E66-R219 IonicContact OE1-NH2 3.84Å; E66-R219 IonicContact OE2-CZ 3.34Å; E66-R219 IonicContact OE2-NH1 3.16Å; E66-R219 PolarHBondContact OE2-NH1 2.87Å; E66-R219 VanDerWaalsContact OE2-NH1 3.13Å; E66-R219 IonicContact OE2-NH2 2.68Å
67	T	92.6	Very high	95.3	Very high	68 Å²	68	27.2 Å²	27.2	42%	0.417	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-75.7	144.3	172.2	49.1	0	0	0	0	110.5
68	K	95.4	Very high	96.4	Very high	16 Å²	16	24.9 Å²	24.9	7%	0.07	15%	0.151	C	C	.	.			trans	-104.8	175.3	165.8	-63.6	-169.8	172.2	-81.9	0	109.6	H70 E109 E112 K163 C164 H165 V196 Q298	K68-H70 PolarHBondContact O-N 3.15Å; K68-H70 VanDerWaalsContact O-N 3.1Å; K68-E109 PolarHBondContact NZ-O 2.94Å; K68-E112 VanDerWaalsContact CE-CG 3.47Å; K68-E112 WeakPolarHBondContact CE-OE1 3.35Å; K68-E112 IonicContact NZ-OE1 3.7Å; K68-E112 PolarHBondContact NZ-OE1 2.9Å; K68-K163 HydrophobicContact CB-CB 4.12Å; K68-K163 HydrophobicContact CD-CB 4.28Å; K68-K163 HydrophobicContact CG-CB 4.16Å; K68-C164 WeakPolarHBondContact CB-O 3.3Å; K68-H165 WeakPolarHBondContact CD-NE2 3.25Å; K68-H165 WeakPolarHBondContact CG-NE2 3.43Å; K68-H165 PolarHBondContact NZ-NE2 2.61Å; K68-H165 VanDerWaalsContact NZ-NE2 3.14Å; K68-V196 WeakPolarHBondContact O-CG2 3.24Å; K68-Q298 PolarHBondContact O-NE2 3Å
69	S	96.1	Very high	96.7	Very high	45 Å²	45	26 Å²	26	32%	0.315	15%	0.152	S	C	.	.	S	Bend	trans	-55.2	-32.7	-175.8	-49	0	0	0	0	113.1	H165 W195 V196	S69-H165 PolarHBondContact N-ND1 2.83Å; S69-H165 PolarHBondContact OG-ND1 3.03Å; S69-W195 CarbonylContact O-C 3.4Å; S69-W195 VanDerWaalsContact O-CA 3.31Å; S69-W195 WeakPolarHBondContact O-CA 3.46Å; S69-V196 PolarHBondContact O-N 3.04Å
70	H	97.6	Very high	96.8	Very high	47 Å²	47	29.1 Å²	29.1	22%	0.218	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.7	177.4	-57.3	-67.9	0	0	0	112.1	K68 K163 C164 H165 L170 G194	K68-H70 PolarHBondContact O-N 3.15Å; K68-H70 VanDerWaalsContact O-N 3.1Å; H70-K163 WeakPolarHBondContact O-CA 3.41Å; H70-C164 PolarHBondContact N-O 2.85Å; H70-C164 PolarHBondContact O-N 3.15Å; H70-C164 VanDerWaalsContact O-N 3.1Å; H70-C164 VanDerWaalsContact O-O 3.06Å; H70-H165 PolarHBondContact CD2-O 3.06Å; H70-L170 HydrophobicContact CB-CD1 3.63Å; H70-G194 WeakPolarHBondContact CA-O 3.3Å; H70-G194 PolarHBondContact ND1-O 2.72Å
71	A	98.3	Very high	96.8	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.2	170	0	0	0	0	0	111	Y73 A162 K163 Y193 G194	A71-Y73 HydrophobicContact CB-CD2 4.45Å; A71-Y73 HydrophobicContact CB-CE1 4.14Å; A71-Y73 HydrophobicContact CB-CE2 3.73Å; A71-A162 CarbonylContact C-O 3.49Å; A71-A162 WeakPolarHBondContact CA-O 3.34Å; A71-K163 HydrophobicContact CB-CG 4.47Å; A71-Y193 CarbonylContact O-C 3.58Å; A71-Y193 VanDerWaalsContact O-CA 3.28Å; A71-Y193 WeakPolarHBondContact O-CA 3.2Å; A71-G194 PolarHBondContact N-O 3.49Å; A71-G194 PolarHBondContact O-N 3.39Å
72	L	98.6	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135	167.3	167.9	65.6	0	0	0	108.3	L74 H161 A162 L170 T174 D191 Y193	L72-L74 HydrophobicContact CD1-CB 4.04Å; L72-L74 HydrophobicContact CD2-CB 4.26Å; L72-L74 HydrophobicContact CG-CB 4.09Å; L72-H161 WeakPolarHBondContact O-CA 3.36Å; L72-A162 HydrophobicContact CB-CB 4.26Å; L72-A162 PolarHBondContact N-O 2.84Å; L72-A162 PolarHBondContact O-N 2.99Å; L72-L170 HydrophobicContact CB-CB 4.17Å; L72-L170 HydrophobicContact CB-CD1 4.49Å; L72-L170 HydrophobicContact CB-CD2 4.1Å; L72-L170 HydrophobicContact CB-CG 4.49Å; L72-T174 VanDerWaalsContact CD1-OG1 3.3Å; L72-T174 WeakPolarHBondContact CD1-OG1 3.4Å; L72-T174 VanDerWaalsContact CD2-OG1 3.29Å; L72-T174 WeakPolarHBondContact CD2-OG1 3.2Å; L72-D191 HydrophobicContact CD1-CB 4.1Å; L72-Y193 HydrophobicContact CD1-CD1 4.11Å; L72-Y193 HydrophobicContact CD1-CE1 3.6Å
73	Y	98.7	Very high	97	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	92.8	172.8	-49.4	-82.1	0	0	0	108	A71 F159 I160 H161 I192 Q296 Q298 L310 I312	A71-Y73 HydrophobicContact CB-CD2 4.45Å; A71-Y73 HydrophobicContact CB-CE1 4.14Å; A71-Y73 HydrophobicContact CB-CE2 3.73Å; Y73-F159 HydrophobicContact CD1-CZ 4.09Å; Y73-I160 WeakPolarHBondContact CA-O 3.47Å; Y73-H161 AromaticContact CD1-CD2 3.56Å; Y73-H161 AromaticContact CE1-CD2 3.39Å; Y73-H161 WeakPolarHBondContact CE1-CD2 3.47Å; Y73-H161 AromaticContact CE1-NE2 3.34Å; Y73-H161 VanDerWaalsContact CE1-NE2 3.34Å; Y73-H161 WeakPolarHBondContact CE1-NE2 3.27Å; Y73-I192 HydrophobicContact CD2-CG2 4.36Å; Y73-I192 WeakPolarHBondContact CD2-O 3.05Å; Y73-I192 PolarHBondContact N-O 3.43Å; Y73-I192 PolarHBondContact O-N 3.32Å; Y73-Q296 PolarHBondContact OH-O 3.43Å; Y73-Q298 HydrophobicContact CE2-CB 4.43Å; Y73-Q298 WeakPolarHBondContact OH-CB 3.07Å; Y73-Q298 PolarHBondContact OH-N 3.36Å; Y73-L310 HydrophobicContact CD1-CD2 3.57Å; Y73-L310 HydrophobicContact CD2-CB 4.36Å; Y73-L310 HydrophobicContact CD2-CD2 3.29Å; Y73-L310 HydrophobicContact CD2-CG 4.42Å; Y73-L310 HydrophobicContact CE1-CD2 4.12Å; Y73-L310 HydrophobicContact CE2-CB 4.25Å; Y73-L310 HydrophobicContact CE2-CD2 3.86Å; Y73-L310 HydrophobicContact CG-CD2 3.08Å; Y73-L310 HydrophobicContact CG-CG 4.49Å; Y73-I312 HydrophobicContact CE1-CB 4.46Å; Y73-I312 HydrophobicContact CE1-CG2 3.73Å
74	L	98.8	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.4	-174.9	171.9	55.7	0	0	0	109.7	L72 I76 F159 I160 T174 I177 I178 F189 E190 D191	L72-L74 HydrophobicContact CD1-CB 4.04Å; L72-L74 HydrophobicContact CD2-CB 4.26Å; L72-L74 HydrophobicContact CG-CB 4.09Å; L74-I76 HydrophobicContact CD1-CG1 4.03Å; L74-I76 HydrophobicContact CD2-CD1 4.16Å; L74-I76 HydrophobicContact CD2-CG1 4.5Å; L74-I76 HydrophobicContact CG-CD1 4.09Å; L74-I76 HydrophobicContact CG-CG1 3.96Å; L74-F159 CarbonylContact O-C 3.45Å; L74-F159 VanDerWaalsContact O-CA 3.27Å; L74-F159 WeakPolarHBondContact O-CA 3.03Å; L74-F159 WeakPolarHBondContact O-CD2 3.43Å; L74-I160 HydrophobicContact CB-CB 4.26Å; L74-I160 HydrophobicContact CD2-CD1 4.12Å; L74-I160 HydrophobicContact CG-CD1 4.27Å; L74-I160 PolarHBondContact N-O 3.4Å; L74-I160 PolarHBondContact O-N 2.65Å; L74-T174 HydrophobicContact CD1-CG2 4.4Å; L74-T174 HydrophobicContact CD2-CG2 4.23Å; L74-I177 HydrophobicContact CD2-CB 4.33Å; L74-I177 HydrophobicContact CD2-CD1 4.16Å; L74-I177 HydrophobicContact CD2-CG2 3.98Å; L74-I178 HydrophobicContact CD1-CD1 4.39Å; L74-F189 HydrophobicContact CD1-CB 4.1Å; L74-F189 HydrophobicContact CD1-CD2 3.82Å; L74-F189 HydrophobicContact CD1-CG 4.34Å; L74-E190 WeakPolarHBondContact CA-O 3.44Å; L74-D191 HydrophobicContact CD1-CB 4.15Å
75	T	98.8	Very high	97	Very high	20 Å²	20	42.1 Å²	42.1	12%	0.123	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.2	174.2	-53.5	0	0	0	0	109.6	F159 F189 E190 W352	T75-F159 WeakPolarHBondContact OG1-CD2 3.47Å; T75-F189 CarbonylContact O-C 3.44Å; T75-F189 WeakPolarHBondContact O-CA 3.44Å; T75-F189 WeakPolarHBondContact O-CB 3.41Å; T75-E190 PolarHBondContact N-O 3.44Å; T75-E190 PolarHBondContact O-N 3.14Å; T75-W352 HydrophobicContact CG2-CH2 3.96Å; T75-W352 HydrophobicContact CG2-CZ2 3.98Å
76	I	98.8	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.9	-178.7	-59.1	164.9	0	0	0	109.2	L74 L78 I91 D157 I158 I160 I177 I178 L181 V186 F189	L74-I76 HydrophobicContact CD1-CG1 4.03Å; L74-I76 HydrophobicContact CD2-CD1 4.16Å; L74-I76 HydrophobicContact CD2-CG1 4.5Å; L74-I76 HydrophobicContact CG-CD1 4.09Å; L74-I76 HydrophobicContact CG-CG1 3.96Å; I76-L78 HydrophobicContact CG2-CD2 3.93Å; I76-I91 HydrophobicContact CD1-CD1 4.43Å; I76-D157 PolarHBondContact O-N 2.88Å; I76-I158 HydrophobicContact CB-CB 4.33Å; I76-I158 HydrophobicContact CD1-CG2 4.42Å; I76-I158 PolarHBondContact N-O 2.93Å; I76-I158 PolarHBondContact O-N 2.6Å; I76-I160 HydrophobicContact CD1-CD1 3.78Å; I76-I177 HydrophobicContact CD1-CG2 4Å; I76-I178 HydrophobicContact CD1-CD1 4.15Å; I76-I178 HydrophobicContact CG1-CD1 4.17Å; I76-L181 HydrophobicContact CD1-CD1 4.13Å; I76-L181 HydrophobicContact CG2-CD1 4.33Å; I76-V186 HydrophobicContact CG2-CG1 4.19Å; I76-V186 HydrophobicContact CG2-CG2 4.09Å; I76-F189 HydrophobicContact CG1-CB 4.16Å
77	H	98.6	Very high	97.4	Very high	36 Å²	36	41.7 Å²	41.7	17%	0.167	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.7	169.3	-63.5	-102.8	0	0	0	109.1	T154 G156 D157 T187 K188	H77-T154 PolarHBondContact CE1-O 3.35Å; H77-G156 VanDerWaalsContact CE1-CA 3.47Å; H77-G156 WeakPolarHBondContact CE1-CA 3.38Å; H77-G156 PolarHBondContact CE1-N 3.24Å; H77-D157 WeakPolarHBondContact CA-OD2 3.17Å; H77-T187 PolarHBondContact O-N 3.34Å; H77-K188 HydrophobicContact CB-CG 3.81Å; H77-K188 WeakPolarHBondContact CD2-CE 3.47Å; H77-K188 PolarHBondContact N-O 3.47Å; H77-K188 PolarHBondContact O-N 2.69Å
78	L	98.5	Very high	97.7	Very high	18 Å²	18	38.8 Å²	38.8	9%	0.094	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	153.5	-179.7	-60.3	178.2	0	0	0	111.3	I76 A82 C87 F123 D157 I158 S185 V186	I76-L78 HydrophobicContact CG2-CD2 3.93Å; L78-A82 HydrophobicContact CB-CB 4.35Å; L78-C87 HydrophobicContact CD1-CB 3.84Å; L78-C87 HydrophobicContact CD2-CB 4.31Å; L78-F123 HydrophobicContact CD1-CD2 3.8Å; L78-F123 HydrophobicContact CD1-CE2 3.41Å; L78-F123 VanDerWaalsContact CD1-CE2 3.41Å; L78-F123 HydrophobicContact CD1-CZ 4.39Å; L78-D157 HydrophobicContact CD1-CB 4.14Å; L78-D157 HydrophobicContact CG-CB 4Å; L78-D157 PolarHBondContact N-OD2 2.96Å; L78-I158 HydrophobicContact CD1-CD1 3.93Å; L78-I158 HydrophobicContact CD2-CD1 4.29Å; L78-I158 HydrophobicContact CG-CD1 4.32Å; L78-S185 CarbonylContact C-O 3.57Å; L78-S185 WeakPolarHBondContact CA-O 3.49Å; L78-S185 WeakPolarHBondContact CB-O 3.18Å; L78-S185 WeakPolarHBondContact CD2-O 3.18Å; L78-V186 HydrophobicContact CD2-CG2 4.26Å
79	D	98.2	Very high	97.7	Very high	58 Å²	58	43.4 Å²	43.4	31%	0.31	23%	0.23	S	C	.	.			trans	-64.1	138.1	168.3	-170	-80.3	0	0	0	109.9	Q81 A82 S185 T187	D79-Q81 PolarHBondContact O-N 3.26Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.47Å; D79-Q81 PolarHBondContact OD1-N 3.05Å; D79-A82 HydrophobicContact CB-CB 4.24Å; D79-A82 WeakPolarHBondContact O-CB 3.48Å; D79-A82 PolarHBondContact O-N 2.96Å; D79-S185 PolarHBondContact N-O 2.89Å; D79-T187 VanDerWaalsContact CA-OG1 3.25Å; D79-T187 WeakPolarHBondContact CA-OG1 3.44Å; D79-T187 PolarHBondContact N-OG1 2.99Å
80	P	96.5	Very high	97.8	Very high	107 Å²	107	41.9 Å²	41.9	70%	0.695	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-21.8	177.7	-27.4	36.2	0	0	0	115.1
81	Q	96.7	Very high	97.8	Very high	174 Å²	174	39.6 Å²	39.6	81%	0.813	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.4	175	-53.3	-56.4	-53.5	0	0	113.4	D79	D79-Q81 PolarHBondContact O-N 3.26Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.47Å; D79-Q81 PolarHBondContact OD1-N 3.05Å
82	A	97.7	Very high	97.7	Very high	18 Å²	18	40.4 Å²	40.4	15%	0.149	22%	0.216	C	C	.	.	S	Bend	trans	-66.2	137.5	178.2	0	0	0	0	0	111.4	L78 D79 P84	L78-A82 HydrophobicContact CB-CB 4.35Å; D79-A82 HydrophobicContact CB-CB 4.24Å; D79-A82 WeakPolarHBondContact O-CB 3.48Å; D79-A82 PolarHBondContact O-N 2.96Å; A82-P84 WeakPolarHBondContact O-CD 3.48Å
83	S	97.5	Very high	97.7	Very high	43 Å²	43	44.5 Å²	44.5	30%	0.301	24%	0.235	S	C	.	.			trans	-67.2	112.3	173.9	174.5	0	0	0	0	110.7	Q85 E86 C87	S83-Q85 PolarHBondContact O-N 2.95Å; S83-E86 WeakPolarHBondContact CB-OE2 3.35Å; S83-E86 PolarHBondContact O-N 3.15Å; S83-E86 WeakPolarHBondContact OG-CG 3.22Å; S83-E86 PolarHBondContact OG-N 2.89Å; S83-C87 PolarHBondContact O-N 3.23Å; S83-C87 VanDerWaalsContact O-N 3.09Å; S83-C87 PolarHBondContact O-SG 2.81Å
84	P	96.9	Very high	97.6	Very high	27 Å²	27	44.5 Å²	44.5	18%	0.175	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-34.3	-178.7	-23.3	36.1	0	0	0	111.9	A82 L88 F123 K126 I127	A82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-L88 VanDerWaalsContact O-CB 3.23Å; P84-L88 WeakPolarHBondContact O-CB 2.97Å; P84-L88 PolarHBondContact O-N 3.2Å; P84-F123 HydrophobicContact CB-CD2 4.38Å; P84-F123 HydrophobicContact CB-CE2 3.8Å; P84-F123 HydrophobicContact CB-CZ 4.44Å; P84-K126 HydrophobicContact CB-CB 4.14Å; P84-K126 HydrophobicContact CG-CB 4.01Å; P84-K126 HydrophobicContact CG-CD 3.98Å; P84-K126 HydrophobicContact CG-CG 4.48Å; P84-I127 HydrophobicContact CB-CG2 3.77Å
85	Q	96.3	Very high	97.5	Very high	87 Å²	87	49.8 Å²	49.8	41%	0.407	26%	0.259	S	S	.	.	H	α-helix	trans	-70.2	-34.7	178.7	-73.4	71.5	18.7	0	0	112.6	S83 K89 K126	S83-Q85 PolarHBondContact O-N 2.95Å; Q85-K89 WeakPolarHBondContact O-CB 3.21Å; Q85-K89 VanDerWaalsContact O-CG 3.24Å; Q85-K89 WeakPolarHBondContact O-CG 3.34Å; Q85-K89 PolarHBondContact O-N 3.44Å; Q85-K126 PolarHBondContact NE2-O 3.2Å
86	E	96.8	Very high	97.4	Very high	108 Å²	108	55.5 Å²	55.5	51%	0.505	28%	0.282	S	S	.	.	H	α-helix	trans	-73.9	-40.8	174.8	-69.3	177.6	159.4	0	0	111.6	S83 L88 K89 S90 P182	S83-E86 WeakPolarHBondContact CB-OE2 3.35Å; S83-E86 PolarHBondContact O-N 3.15Å; S83-E86 WeakPolarHBondContact OG-CG 3.22Å; S83-E86 PolarHBondContact OG-N 2.89Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 3.38Å; E86-K89 PolarHBondContact O-N 3.26Å; E86-S90 PolarHBondContact O-N 2.94Å; E86-P182 HydrophobicContact CB-CG 3.91Å
87	C	98.1	Very high	97.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-46.3	172.3	-59.9	0	0	0	0	110.8	L78 S83 K89 S90 I91 I158 L181	L78-C87 HydrophobicContact CD1-CB 3.84Å; L78-C87 HydrophobicContact CD2-CB 4.31Å; S83-C87 PolarHBondContact O-N 3.23Å; S83-C87 VanDerWaalsContact O-N 3.09Å; S83-C87 PolarHBondContact O-SG 2.81Å; C87-K89 PolarHBondContact O-N 3.48Å; C87-S90 PolarHBondContact O-N 3.26Å; C87-I91 WeakPolarHBondContact O-CG1 3.22Å; C87-I91 PolarHBondContact O-N 3.37Å; C87-I158 HydrophobicContact CB-CD1 4.45Å; C87-L181 HydrophobicContact CB-CD2 4.12Å
88	L	98	Very high	97.3	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-42	175.4	178.8	63.2	0	0	0	112.8	P84 E86 S90 I91 G92 F119 F123 I127 L363 V364	P84-L88 VanDerWaalsContact O-CB 3.23Å; P84-L88 WeakPolarHBondContact O-CB 2.97Å; P84-L88 PolarHBondContact O-N 3.2Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 3.38Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-S90 PolarHBondContact O-N 2.92Å; L88-I91 PolarHBondContact O-N 3.37Å; L88-G92 PolarHBondContact O-N 3.32Å; L88-F119 HydrophobicContact CD1-CE1 4.05Å; L88-F119 HydrophobicContact CD1-CE2 4.37Å; L88-F119 HydrophobicContact CD1-CZ 3.52Å; L88-F123 HydrophobicContact CB-CZ 4.33Å; L88-I127 HydrophobicContact CB-CG2 4.47Å; L88-I127 HydrophobicContact CD1-CD1 4.05Å; L88-I127 HydrophobicContact CD2-CB 3.98Å; L88-I127 HydrophobicContact CD2-CD1 3.75Å; L88-I127 HydrophobicContact CD2-CG1 4.47Å; L88-I127 HydrophobicContact CD2-CG2 4.03Å; L88-I127 HydrophobicContact CG-CD1 4.48Å; L88-L363 HydrophobicContact CD2-CB 4.23Å; L88-L363 WeakPolarHBondContact CD2-O 3.44Å; L88-V364 HydrophobicContact CD1-CG2 4.07Å; L88-V364 HydrophobicContact CG-CG2 4.29Å
89	K	97.1	Very high	97.2	Very high	113 Å²	113	55.9 Å²	55.9	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-41	175.7	-78.4	169.8	-177.3	177.1	0	112.2	Q85 E86 C87 G92	Q85-K89 WeakPolarHBondContact O-CB 3.21Å; Q85-K89 VanDerWaalsContact O-CG 3.24Å; Q85-K89 WeakPolarHBondContact O-CG 3.34Å; Q85-K89 PolarHBondContact O-N 3.44Å; E86-K89 PolarHBondContact O-N 3.26Å; C87-K89 PolarHBondContact O-N 3.48Å; K89-G92 PolarHBondContact O-N 3.11Å
90	S	97.2	Very high	97.1	Very high	12 Å²	12	56.9 Å²	56.9	8%	0.084	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-51.4	175.2	178.9	0	0	0	0	111.6	E86 C87 L88 G92 Q93 Y97 N180	E86-S90 PolarHBondContact O-N 2.94Å; C87-S90 PolarHBondContact O-N 3.26Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-S90 PolarHBondContact O-N 2.92Å; S90-G92 PolarHBondContact O-N 3.34Å; S90-Q93 VanDerWaalsContact O-CB 3.3Å; S90-Q93 WeakPolarHBondContact O-CB 2.93Å; S90-Q93 PolarHBondContact O-N 2.88Å; S90-Y97 PolarHBondContact O-OH 2.86Å; S90-Y97 PolarHBondContact OG-OH 3.46Å; S90-N180 VanDerWaalsContact OG-C 3.27Å; S90-N180 PolarHBondContact OG-O 2.99Å
91	I	97.7	Very high	97.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-31.2	176.2	-62.8	-63.3	0	0	0	111.5	I76 C87 L88 Q93 I94 V117 I158 I160 I177 L181 F360	I76-I91 HydrophobicContact CD1-CD1 4.43Å; C87-I91 WeakPolarHBondContact O-CG1 3.22Å; C87-I91 PolarHBondContact O-N 3.37Å; L88-I91 PolarHBondContact O-N 3.37Å; I91-Q93 PolarHBondContact O-N 3.09Å; I91-Q93 VanDerWaalsContact O-N 3.15Å; I91-I94 VanDerWaalsContact O-CB 3.22Å; I91-I94 WeakPolarHBondContact O-CB 3.4Å; I91-I94 VanDerWaalsContact O-CG2 3.25Å; I91-I94 WeakPolarHBondContact O-CG2 3.49Å; I91-I94 PolarHBondContact O-N 3.19Å; I91-V117 HydrophobicContact CG2-CB 4.43Å; I91-V117 HydrophobicContact CG2-CG1 3.66Å; I91-V117 HydrophobicContact CG2-CG2 3.93Å; I91-I158 HydrophobicContact CD1-CG2 4.38Å; I91-I158 HydrophobicContact CG1-CD1 4.09Å; I91-I158 HydrophobicContact CG1-CG2 4.3Å; I91-I158 HydrophobicContact CG2-CG2 4.4Å; I91-I160 HydrophobicContact CD1-CD1 4.46Å; I91-I177 HydrophobicContact CD1-CG2 3.66Å; I91-L181 HydrophobicContact CD1-CD2 4.09Å; I91-L181 HydrophobicContact CD1-CG 4.47Å; I91-L181 HydrophobicContact CG1-CD2 4.11Å; I91-F360 HydrophobicContact CG2-CE2 4.49Å; I91-F360 HydrophobicContact CG2-CZ 4.29Å
92	G	97.3	Very high	96.9	Very high	18 Å²	18	44.9 Å²	44.9	19%	0.186	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.9	171.1	0	0	0	0	0	114.8	L88 K89 S90 I94	L88-G92 PolarHBondContact O-N 3.32Å; K89-G92 PolarHBondContact O-N 3.11Å; S90-G92 PolarHBondContact O-N 3.34Å; G92-I94 VanDerWaalsContact C-N 3.29Å
93	Q	97.1	Very high	96.6	Very high	86 Å²	86	46 Å²	46	40%	0.402	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.6	172.4	-53.3	-55.1	-66.1	0	0	113.5	S90 I91 K95 K96 Y97	S90-Q93 VanDerWaalsContact O-CB 3.3Å; S90-Q93 WeakPolarHBondContact O-CB 2.93Å; S90-Q93 PolarHBondContact O-N 2.88Å; I91-Q93 PolarHBondContact O-N 3.09Å; I91-Q93 VanDerWaalsContact O-N 3.15Å; Q93-K95 PolarHBondContact O-N 2.99Å; Q93-K96 WeakPolarHBondContact O-CA 3.34Å; Q93-K96 VanDerWaalsContact O-CB 3.27Å; Q93-K96 WeakPolarHBondContact O-CB 3.45Å; Q93-K96 PolarHBondContact O-N 3.35Å; Q93-Y97 HydrophobicContact CB-CE1 4.03Å; Q93-Y97 HydrophobicContact CB-CE2 4.13Å; Q93-Y97 PolarHBondContact O-N 3.46Å
94	I	97.8	Very high	96.3	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-51.8	-35.1	-177.1	-170.4	166.7	0	0	0	113.7	I91 G92 K96 Y97 V98 Y115 V117 I160 L173 I177 F360	I91-I94 VanDerWaalsContact O-CB 3.22Å; I91-I94 WeakPolarHBondContact O-CB 3.4Å; I91-I94 VanDerWaalsContact O-CG2 3.25Å; I91-I94 WeakPolarHBondContact O-CG2 3.49Å; I91-I94 PolarHBondContact O-N 3.19Å; G92-I94 VanDerWaalsContact C-N 3.29Å; I94-K96 VanDerWaalsContact C-N 3.34Å; I94-K96 PolarHBondContact O-N 3.33Å; I94-Y97 HydrophobicContact CB-CD2 4.5Å; I94-Y97 PolarHBondContact O-N 3.05Å; I94-V98 WeakPolarHBondContact O-CG2 3.36Å; I94-V98 PolarHBondContact O-N 3.25Å; I94-Y115 HydrophobicContact CB-CE2 4.44Å; I94-Y115 HydrophobicContact CD1-CD2 3.74Å; I94-Y115 HydrophobicContact CD1-CE2 4.18Å; I94-Y115 HydrophobicContact CD1-CG 4.25Å; I94-Y115 HydrophobicContact CG1-CD2 4.14Å; I94-Y115 HydrophobicContact CG1-CE2 4.17Å; I94-Y115 HydrophobicContact CG2-CD2 4.17Å; I94-Y115 HydrophobicContact CG2-CE2 3.48Å; I94-Y115 VanDerWaalsContact CG2-CE2 3.48Å; I94-V117 HydrophobicContact CD1-CG2 3.93Å; I94-V117 HydrophobicContact CG2-CG2 4.29Å; I94-I160 HydrophobicContact CD1-CG1 4.26Å; I94-I160 HydrophobicContact CD1-CG2 4.01Å; I94-L173 HydrophobicContact CG1-CD1 4.25Å; I94-I177 HydrophobicContact CD1-CD1 3.95Å; I94-I177 HydrophobicContact CG1-CD1 4.41Å; I94-F360 HydrophobicContact CG2-CE1 4.45Å; I94-F360 HydrophobicContact CG2-CZ 4.42Å
95	K	96.3	Very high	95.9	Very high	112 Å²	112	52.9 Å²	52.9	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-43.1	174	-165.9	-166.4	-179.5	-58.4	0	111.9	Q93 Y97 V98 D99 Y115	Q93-K95 PolarHBondContact O-N 2.99Å; K95-Y97 VanDerWaalsContact C-N 3.32Å; K95-Y97 PolarHBondContact O-N 3.34Å; K95-V98 PolarHBondContact O-N 3.46Å; K95-D99 VanDerWaalsContact NZ-CG 3.29Å; K95-D99 IonicContact NZ-OD1 3.19Å; K95-D99 PolarHBondContact NZ-OD1 3.45Å; K95-D99 IonicContact NZ-OD2 2.57Å; K95-D99 PolarHBondContact NZ-OD2 2.94Å; K95-D99 WeakPolarHBondContact O-CB 3.21Å; K95-D99 PolarHBondContact O-N 3.22Å; K95-Y115 WeakPolarHBondContact CB-OH 3.23Å
96	K	97	Very high	95.3	Very high	140 Å²	140	54.7 Å²	54.7	61%	0.609	29%	0.289	S	S	*	.	H	α-helix	trans	-64.6	-36	177.1	-178.6	-173.1	173.5	-172.1	0	111.5	Q93 I94 A100	Q93-K96 WeakPolarHBondContact O-CA 3.34Å; Q93-K96 VanDerWaalsContact O-CB 3.27Å; Q93-K96 WeakPolarHBondContact O-CB 3.45Å; Q93-K96 PolarHBondContact O-N 3.35Å; I94-K96 VanDerWaalsContact C-N 3.34Å; I94-K96 PolarHBondContact O-N 3.33Å; K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 2.92Å; K96-A100 VanDerWaalsContact O-N 3.09Å
97	Y	97.4	Very high	94.8	Very high	20 Å²	20	53.8 Å²	53.8	8%	0.078	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-46.7	174.6	-52.2	-32.1	0	0	0	111	S90 Q93 I94 K95 A100 I101 A176 I177 N180	S90-Y97 PolarHBondContact O-OH 2.86Å; S90-Y97 PolarHBondContact OG-OH 3.46Å; Q93-Y97 HydrophobicContact CB-CE1 4.03Å; Q93-Y97 HydrophobicContact CB-CE2 4.13Å; Q93-Y97 PolarHBondContact O-N 3.46Å; I94-Y97 HydrophobicContact CB-CD2 4.5Å; I94-Y97 PolarHBondContact O-N 3.05Å; K95-Y97 VanDerWaalsContact C-N 3.32Å; K95-Y97 PolarHBondContact O-N 3.34Å; Y97-A100 PolarHBondContact O-N 3.28Å; Y97-I101 WeakPolarHBondContact O-CD1 3.49Å; Y97-I101 WeakPolarHBondContact O-CG1 3.28Å; Y97-I101 PolarHBondContact O-N 3.03Å; Y97-I101 VanDerWaalsContact O-N 3.17Å; Y97-A176 HydrophobicContact CD1-CB 4.25Å; Y97-A176 HydrophobicContact CD2-CB 4.4Å; Y97-A176 HydrophobicContact CG-CB 3.91Å; Y97-I177 HydrophobicContact CD2-CG1 4.04Å; Y97-I177 HydrophobicContact CE2-CG1 4.47Å; Y97-N180 HydrophobicContact CE1-CB 4.12Å; Y97-N180 HydrophobicContact CE2-CB 4.48Å; Y97-N180 WeakPolarHBondContact OH-CB 3.43Å
98	V	97.1	Very high	94.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-43.7	176	169.4	0	0	0	0	112.1	I94 K95 A100 I101 C102 I113 Y115 L173	I94-V98 WeakPolarHBondContact O-CG2 3.36Å; I94-V98 PolarHBondContact O-N 3.25Å; K95-V98 PolarHBondContact O-N 3.46Å; V98-A100 PolarHBondContact O-N 3.46Å; V98-I101 PolarHBondContact O-N 3.42Å; V98-C102 PolarHBondContact O-N 3.44Å; V98-I113 HydrophobicContact CG1-CB 3.99Å; V98-I113 HydrophobicContact CG1-CD1 4.38Å; V98-I113 HydrophobicContact CG1-CG1 4.5Å; V98-I113 HydrophobicContact CG2-CB 4.37Å; V98-I113 HydrophobicContact CG2-CD1 4.41Å; V98-I113 HydrophobicContact CG2-CG2 4.42Å; V98-Y115 HydrophobicContact CB-CE1 4.32Å; V98-Y115 HydrophobicContact CG1-CE1 4.43Å; V98-Y115 HydrophobicContact CG2-CD1 3.78Å; V98-Y115 HydrophobicContact CG2-CE1 3.92Å; V98-L173 HydrophobicContact CG2-CD1 3.82Å; V98-L173 HydrophobicContact CG2-CD2 4.14Å
99	D	96.3	Very high	93.3	Very high	39 Å²	39	63 Å²	63	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-21.7	177.1	-65.6	-23.1	0	0	0	112.9	K95 P103 P104 R107	K95-D99 VanDerWaalsContact NZ-CG 3.29Å; K95-D99 IonicContact NZ-OD1 3.19Å; K95-D99 PolarHBondContact NZ-OD1 3.45Å; K95-D99 IonicContact NZ-OD2 2.57Å; K95-D99 PolarHBondContact NZ-OD2 2.94Å; K95-D99 WeakPolarHBondContact O-CB 3.21Å; K95-D99 PolarHBondContact O-N 3.22Å; D99-P103 VanDerWaalsContact O-CA 3.3Å; D99-P103 WeakPolarHBondContact O-CA 3.47Å; D99-P104 HydrophobicContact CB-CG 4.31Å; D99-R107 IonicContact OD1-CZ 3.74Å; D99-R107 IonicContact OD1-NH1 3.74Å; D99-R107 IonicContact OD1-NH2 2.82Å; D99-R107 PolarHBondContact OD1-NH2 2.84Å
100	A	96.2	Very high	92.4	Very high	80 Å²	80	64 Å²	64	66%	0.661	34%	0.341	S	S	*	.	H	α-helix	trans	-80.5	-33.8	174	0	0	0	0	0	112.8	K96 Y97 V98	K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 2.92Å; K96-A100 VanDerWaalsContact O-N 3.09Å; Y97-A100 PolarHBondContact O-N 3.28Å; V98-A100 PolarHBondContact O-N 3.46Å
101	I	95.8	Very high	91.7	Very high	28 Å²	28	64.8 Å²	64.8	14%	0.144	34%	0.344	C	S	.	.	H	α-helix	trans	-81.5	-37.3	178.8	-64.8	161.1	0	0	0	111.3	Y97 V98 I113 K169 E172 L173	Y97-I101 WeakPolarHBondContact O-CD1 3.49Å; Y97-I101 WeakPolarHBondContact O-CG1 3.28Å; Y97-I101 PolarHBondContact O-N 3.03Å; Y97-I101 VanDerWaalsContact O-N 3.17Å; V98-I101 PolarHBondContact O-N 3.42Å; I101-I113 HydrophobicContact CB-CD1 4.31Å; I101-I113 HydrophobicContact CG2-CD1 3.89Å; I101-K169 HydrophobicContact CG2-CB 3.78Å; I101-K169 HydrophobicContact CG2-CD 4.27Å; I101-K169 HydrophobicContact CG2-CG 3.67Å; I101-E172 HydrophobicContact CD1-CB 3.93Å; I101-E172 HydrophobicContact CG1-CB 4.09Å; I101-E172 HydrophobicContact CG2-CB 4.44Å; I101-L173 HydrophobicContact CD1-CB 3.9Å; I101-L173 HydrophobicContact CD1-CD1 4.35Å
102	C	93	Very high	91.5	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-132.3	85	-179.8	172.9	0	0	0	0	108.1	V98 R107 D111	V98-C102 PolarHBondContact O-N 3.44Å; C102-R107 PolarHBondContact O-NE 3.47Å; C102-R107 PolarHBondContact O-NH2 3.46Å; C102-R107 VanDerWaalsContact SG-CG 3.53Å; C102-R107 PolarHBondContact SG-NE 3.07Å; C102-D111 PolarHBondContact SG-OD1 2.83Å; C102-D111 PolarHBondContact SG-OD2 3.29Å
103	P	92.5	Very high	91.5	Very high	41 Å²	41	66.6 Å²	66.6	27%	0.266	35%	0.348	S	S	.	.			trans	-53.4	133	179.1	-29.6	37.9	0	0	0	112.4	D99 D105 L106 R107	D99-P103 VanDerWaalsContact O-CA 3.3Å; D99-P103 WeakPolarHBondContact O-CA 3.47Å; P103-D105 WeakPolarHBondContact CB-OD1 3.41Å; P103-D105 PolarHBondContact O-N 3.33Å; P103-L106 HydrophobicContact CB-CB 4.43Å; P103-L106 HydrophobicContact CB-CD1 4.23Å; P103-L106 HydrophobicContact CB-CG 4.24Å; P103-L106 HydrophobicContact CG-CD1 4.14Å; P103-L106 PolarHBondContact O-N 3.41Å; P103-R107 PolarHBondContact O-N 3.4Å; P103-R107 VanDerWaalsContact O-N 3.13Å
104	P	89.4	Confident	91.5	Very high	79 Å²	79	64.3 Å²	64.3	51%	0.513	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.6	-175.2	-28	35.6	0	0	0	115.7	D99	D99-P104 HydrophobicContact CB-CG 4.31Å
105	D	88.7	Confident	91.5	Very high	137 Å²	137	66.6 Å²	66.6	73%	0.733	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-19.3	176.3	58.8	-51.7	0	0	0	113.8	P103	P103-D105 WeakPolarHBondContact CB-OD1 3.41Å; P103-D105 PolarHBondContact O-N 3.33Å
106	L	84.2	Confident	91.6	Very high	124 Å²	124	61.2 Å²	61.2	65%	0.649	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-6.8	174	-58.1	-179.3	0	0	0	112.6	P103	P103-L106 HydrophobicContact CB-CB 4.43Å; P103-L106 HydrophobicContact CB-CD1 4.23Å; P103-L106 HydrophobicContact CB-CG 4.24Å; P103-L106 HydrophobicContact CG-CD1 4.14Å; P103-L106 PolarHBondContact O-N 3.41Å
107	R	86.5	Confident	91.7	Very high	89 Å²	89	54.6 Å²	54.6	34%	0.336	30%	0.295	S	S	.	.			trans	-75.9	128.3	-168.2	-171	175.4	-57.5	162.2	6.5	113.6	D99 C102 P103 D111 E112	D99-R107 IonicContact OD1-CZ 3.74Å; D99-R107 IonicContact OD1-NH1 3.74Å; D99-R107 IonicContact OD1-NH2 2.82Å; D99-R107 PolarHBondContact OD1-NH2 2.84Å; C102-R107 PolarHBondContact O-NE 3.47Å; C102-R107 PolarHBondContact O-NH2 3.46Å; C102-R107 VanDerWaalsContact SG-CG 3.53Å; C102-R107 PolarHBondContact SG-NE 3.07Å; P103-R107 PolarHBondContact O-N 3.4Å; P103-R107 VanDerWaalsContact O-N 3.13Å; R107-D111 WeakPolarHBondContact CA-OD1 3.45Å; R107-E112 HydrophobicContact CG-CB 3.84Å
108	G	83.8	Confident	91.8	Very high	38 Å²	38	53.6 Å²	53.6	39%	0.392	29%	0.291	S	S	.	.			trans	-136.1	178.2	170.4	0	0	0	0	0	112.5	E110 D111 E112	G108-E110 VanDerWaalsContact C-N 3.29Å; G108-E110 PolarHBondContact O-N 3.48Å; G108-D111 PolarHBondContact N-OD1 3.47Å; G108-D111 PolarHBondContact O-N 3.47Å; G108-D111 VanDerWaalsContact O-N 3.12Å; G108-D111 VanDerWaalsContact O-OD1 3.13Å; G108-E112 WeakPolarHBondContact O-CB 3.38Å; G108-E112 PolarHBondContact O-N 2.96Å
109	E	81.1	Confident	91.8	Very high	162 Å²	162	53.5 Å²	53.5	76%	0.757	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.6	-174.1	-62.6	-178.5	170.4	0	0	113.3	K68 H165	K68-E109 PolarHBondContact NZ-O 2.94Å; E109-H165 PolarHBondContact O-CD2 3.31Å
110	E	78.4	Confident	91.9	Very high	136 Å²	136	51.7 Å²	51.7	64%	0.636	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.3	178	-65.3	-63.5	158.2	0	0	112.8	G108 H165	G108-E110 VanDerWaalsContact C-N 3.29Å; G108-E110 PolarHBondContact O-N 3.48Å; E110-H165 VanDerWaalsContact O-CB 3.3Å; E110-H165 WeakPolarHBondContact O-CB 3.33Å; E110-H165 PolarHBondContact O-CD2 3.03Å; E110-H165 IonicContact OE2-CG 2.67Å
111	D	82.6	Confident	92	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.144	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-14	-162.2	111.7	-59.6	0	0	0	113.1	C102 R107 G108 K169	C102-D111 PolarHBondContact SG-OD1 2.83Å; C102-D111 PolarHBondContact SG-OD2 3.29Å; R107-D111 WeakPolarHBondContact CA-OD1 3.45Å; G108-D111 PolarHBondContact N-OD1 3.47Å; G108-D111 PolarHBondContact O-N 3.47Å; G108-D111 VanDerWaalsContact O-N 3.12Å; G108-D111 VanDerWaalsContact O-OD1 3.13Å; D111-K169 WeakPolarHBondContact O-CD 3.46Å; D111-K169 PolarHBondContact O-NZ 3.26Å; D111-K169 IonicContact OD2-NZ 2.69Å; D111-K169 PolarHBondContact OD2-NZ 2.86Å
112	E	93.8	Very high	92.1	Very high	48 Å²	48	52.6 Å²	52.6	22%	0.224	27%	0.271	C	S	.	.			trans	-64.2	150.7	-178.5	72.6	-179.7	164.1	0	0	113.1	K68 R107 G108 L114 C164	K68-E112 VanDerWaalsContact CE-CG 3.47Å; K68-E112 WeakPolarHBondContact CE-OE1 3.35Å; K68-E112 IonicContact NZ-OE1 3.7Å; K68-E112 PolarHBondContact NZ-OE1 2.9Å; R107-E112 HydrophobicContact CG-CB 3.84Å; G108-E112 WeakPolarHBondContact O-CB 3.38Å; G108-E112 PolarHBondContact O-N 2.96Å; E112-L114 HydrophobicContact CG-CD2 4.37Å; E112-L114 HydrophobicContact CG-CG 4.26Å; E112-L114 WeakPolarHBondContact OE2-CD2 3.24Å; E112-C164 PolarHBondContact O-SG 2.82Å
113	I	96.9	Very high	92.3	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.041	27%	0.271	C	S	.	.			trans	-107.7	107.1	169.5	-48.5	174.2	0	0	0	109.3	V98 I101 A162 K163 C164 K169 L170 L173	V98-I113 HydrophobicContact CG1-CB 3.99Å; V98-I113 HydrophobicContact CG1-CD1 4.38Å; V98-I113 HydrophobicContact CG1-CG1 4.5Å; V98-I113 HydrophobicContact CG2-CB 4.37Å; V98-I113 HydrophobicContact CG2-CD1 4.41Å; V98-I113 HydrophobicContact CG2-CG2 4.42Å; I101-I113 HydrophobicContact CB-CD1 4.31Å; I101-I113 HydrophobicContact CG2-CD1 3.89Å; I113-A162 HydrophobicContact CG2-CB 3.99Å; I113-K163 WeakPolarHBondContact CA-O 3.46Å; I113-C164 HydrophobicContact CG1-CB 4.46Å; I113-K169 HydrophobicContact CD1-CB 4Å; I113-K169 HydrophobicContact CG1-CB 4.34Å; I113-L170 HydrophobicContact CG2-CD2 4.08Å; I113-L173 HydrophobicContact CG2-CD2 3.96Å
114	L	96.8	Very high	92.6	Very high	38 Å²	38	50.7 Å²	50.7	20%	0.199	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.7	171.7	-61.3	-179.4	0	0	0	108.8	E112 A162 K163	E112-L114 HydrophobicContact CG-CD2 4.37Å; E112-L114 HydrophobicContact CG-CG 4.26Å; E112-L114 WeakPolarHBondContact OE2-CD2 3.24Å; L114-A162 CarbonylContact O-C 3.59Å; L114-A162 VanDerWaalsContact O-CA 3.24Å; L114-A162 WeakPolarHBondContact O-CA 3.38Å; L114-K163 HydrophobicContact CB-CB 4.46Å; L114-K163 PolarHBondContact N-O 3.46Å; L114-K163 PolarHBondContact O-N 3.16Å
115	Y	98	Very high	92.9	Very high	50 Å²	50	50.8 Å²	50.8	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	165.4	-174.5	69.9	-91.7	0	0	0	113.7	G61 S62 I94 K95 V98 H161	G61-Y115 WeakPolarHBondContact CA-O 3.36Å; G61-Y115 PolarHBondContact N-O 3.2Å; S62-Y115 PolarHBondContact N-O 3.04Å; S62-Y115 VanDerWaalsContact N-O 3.09Å; I94-Y115 HydrophobicContact CB-CE2 4.44Å; I94-Y115 HydrophobicContact CD1-CD2 3.74Å; I94-Y115 HydrophobicContact CD1-CE2 4.18Å; I94-Y115 HydrophobicContact CD1-CG 4.25Å; I94-Y115 HydrophobicContact CG1-CD2 4.14Å; I94-Y115 HydrophobicContact CG1-CE2 4.17Å; I94-Y115 HydrophobicContact CG2-CD2 4.17Å; I94-Y115 HydrophobicContact CG2-CE2 3.48Å; I94-Y115 VanDerWaalsContact CG2-CE2 3.48Å; K95-Y115 WeakPolarHBondContact CB-OH 3.23Å; V98-Y115 HydrophobicContact CB-CE1 4.32Å; V98-Y115 HydrophobicContact CG1-CE1 4.43Å; V98-Y115 HydrophobicContact CG2-CD1 3.78Å; V98-Y115 HydrophobicContact CG2-CE1 3.92Å; Y115-H161 CarbonylContact C-O 3.55Å; Y115-H161 WeakPolarHBondContact CA-O 3.37Å
116	G	98.4	Very high	93.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	142.2	168.7	0	0	0	0	0	110.6	S62 I160 H161 F354	S62-G116 WeakPolarHBondContact OG-CA 3.4Å; S62-G116 PolarHBondContact OG-N 3.33Å; G116-I160 WeakPolarHBondContact O-CA 3.37Å; G116-H161 PolarHBondContact N-O 3.07Å; G116-H161 PolarHBondContact O-N 3.38Å; G116-F354 WeakPolarHBondContact O-CE1 3.21Å
117	V	98.8	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.1	176.4	-174.7	0	0	0	0	108.7	Q60 I91 I94 F119 I158 F159 I160 F360	Q60-V117 PolarHBondContact NE2-O 3.32Å; I91-V117 HydrophobicContact CG2-CB 4.43Å; I91-V117 HydrophobicContact CG2-CG1 3.66Å; I91-V117 HydrophobicContact CG2-CG2 3.93Å; I94-V117 HydrophobicContact CD1-CG2 3.93Å; I94-V117 HydrophobicContact CG2-CG2 4.29Å; V117-F119 HydrophobicContact CG1-CD1 4.4Å; V117-F119 HydrophobicContact CG1-CE1 3.73Å; V117-F119 HydrophobicContact CG1-CZ 4.04Å; V117-I158 HydrophobicContact CG1-CG2 4Å; V117-F159 CarbonylContact C-O 3.58Å; V117-F159 WeakPolarHBondContact CA-O 3.5Å; V117-I160 HydrophobicContact CG2-CG1 4.25Å; V117-F360 HydrophobicContact CB-CD2 4.37Å; V117-F360 HydrophobicContact CB-CE2 3.74Å; V117-F360 HydrophobicContact CB-CZ 4.31Å; V117-F360 HydrophobicContact CG1-CE2 3.93Å; V117-F360 HydrophobicContact CG2-CE2 3.98Å; V117-F360 HydrophobicContact CG2-CZ 4.02Å
118	G	98.7	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	153.9	171	0	0	0	0	0	111.8	F159 Y353	G118-F159 PolarHBondContact N-O 3.28Å; G118-F159 PolarHBondContact O-N 3.05Å; G118-Y353 CarbonylContact C-O 3.47Å; G118-Y353 VanDerWaalsContact CA-O 3.31Å; G118-Y353 WeakPolarHBondContact CA-O 3.45Å
119	F	98.7	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.3	179.4	-59.2	-52.2	0	0	0	111.8	L88 V117 F123 L124 I127 Y139 I158 Y353 P355 F360 L363	L88-F119 HydrophobicContact CD1-CE1 4.05Å; L88-F119 HydrophobicContact CD1-CE2 4.37Å; L88-F119 HydrophobicContact CD1-CZ 3.52Å; V117-F119 HydrophobicContact CG1-CD1 4.4Å; V117-F119 HydrophobicContact CG1-CE1 3.73Å; V117-F119 HydrophobicContact CG1-CZ 4.04Å; F119-F123 HydrophobicContact CB-CD1 4.11Å; F119-F123 AromaticContact CD1-CD1 3.5Å; F119-F123 HydrophobicContact CD1-CD1 3.5Å; F119-F123 VanDerWaalsContact CD1-CD1 3.5Å; F119-F123 AromaticContact CD1-CE1 3.53Å; F119-F123 HydrophobicContact CD1-CE1 3.53Å; F119-F123 HydrophobicContact CE1-CD1 4.15Å; F119-F123 AromaticContact CE1-CE1 3.69Å; F119-F123 HydrophobicContact CE1-CE1 3.69Å; F119-F123 AromaticContact CG-CD1 3.97Å; F119-F123 HydrophobicContact CG-CD1 3.97Å; F119-F123 HydrophobicContact CG-CE1 4.29Å; F119-L124 HydrophobicContact CB-CB 4.25Å; F119-L124 HydrophobicContact CD2-CD1 4.19Å; F119-I127 HydrophobicContact CD2-CD1 4.06Å; F119-I127 HydrophobicContact CE2-CD1 3.94Å; F119-I127 HydrophobicContact CG-CD1 4.41Å; F119-I127 HydrophobicContact CZ-CD1 4.19Å; F119-Y139 WeakPolarHBondContact O-CE2 3.31Å; F119-Y139 PolarHBondContact O-OH 3.49Å; F119-I158 HydrophobicContact CD1-CG1 4.23Å; F119-I158 HydrophobicContact CE1-CG1 4.36Å; F119-Y353 PolarHBondContact N-O 2.8Å; F119-Y353 PolarHBondContact O-N 3Å; F119-P355 HydrophobicContact CD2-CG 4.3Å; F119-P355 HydrophobicContact CE2-CG 3.93Å; F119-F360 HydrophobicContact CE2-CD2 4.26Å; F119-F360 HydrophobicContact CZ-CD2 4.05Å; F119-F360 AromaticContact CZ-CE2 3.86Å; F119-F360 HydrophobicContact CZ-CE2 3.86Å; F119-L363 HydrophobicContact CE2-CD1 4Å
120	G	98.6	Very high	95.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.01	20%	0.199	C	C	.	.			trans	-65.9	155.7	168.8	0	0	0	0	0	110.8	E122 F123 L124 Y139 G156 D157	G120-E122 PolarHBondContact O-N 3.5Å; G120-F123 PolarHBondContact O-N 2.95Å; G120-L124 PolarHBondContact O-N 3.21Å; G120-Y139 PolarHBondContact O-OH 3.45Å; G120-G156 WeakPolarHBondContact CA-O 3.38Å; G120-D157 PolarHBondContact N-O 2.92Å
121	L	98.1	Very high	96.2	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-57	-47.5	-174.3	178	61.8	0	0	0	112.6	F123 L124 Q125 F131 N138 Y139 E140	L121-F123 VanDerWaalsContact C-N 3.35Å; L121-F123 PolarHBondContact O-N 3.22Å; L121-L124 PolarHBondContact O-N 3.25Å; L121-Q125 HydrophobicContact CD1-CG 4.38Å; L121-Q125 WeakPolarHBondContact O-CB 3.18Å; L121-Q125 VanDerWaalsContact O-CG 3.26Å; L121-Q125 WeakPolarHBondContact O-CG 3.29Å; L121-Q125 PolarHBondContact O-N 3.01Å; L121-F131 HydrophobicContact CD1-CE2 4.11Å; L121-F131 HydrophobicContact CD1-CZ 4.02Å; L121-N138 WeakPolarHBondContact CD2-OD1 3.14Å; L121-Y139 WeakPolarHBondContact CA-OH 3.5Å; L121-Y139 HydrophobicContact CB-CD2 4.33Å; L121-Y139 HydrophobicContact CB-CE2 3.94Å; L121-Y139 HydrophobicContact CD1-CD1 3.97Å; L121-Y139 HydrophobicContact CD1-CE1 3.71Å; L121-E140 HydrophobicContact CD2-CB 3.8Å
122	E	96.9	Very high	96.7	Very high	111 Å²	111	38.3 Å²	38.3	52%	0.519	19%	0.191	S	C	.	.	H	α-helix	trans	-65.4	-36	-179.2	-65.1	174.6	-149.7	0	0	112.4	G120 K126	G120-E122 PolarHBondContact O-N 3.5Å; E122-K126 WeakPolarHBondContact O-CG 3.3Å; E122-K126 PolarHBondContact O-N 3.13Å
123	F	98	Very high	96.7	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-69.8	-45.8	175	-174.3	-99.8	0	0	0	111.3	L78 P84 L88 F119 G120 L121 Q125 K126 I127 D157 I158	L78-F123 HydrophobicContact CD1-CD2 3.8Å; L78-F123 HydrophobicContact CD1-CE2 3.41Å; L78-F123 VanDerWaalsContact CD1-CE2 3.41Å; L78-F123 HydrophobicContact CD1-CZ 4.39Å; P84-F123 HydrophobicContact CB-CD2 4.38Å; P84-F123 HydrophobicContact CB-CE2 3.8Å; P84-F123 HydrophobicContact CB-CZ 4.44Å; L88-F123 HydrophobicContact CB-CZ 4.33Å; F119-F123 HydrophobicContact CB-CD1 4.11Å; F119-F123 AromaticContact CD1-CD1 3.5Å; F119-F123 HydrophobicContact CD1-CD1 3.5Å; F119-F123 VanDerWaalsContact CD1-CD1 3.5Å; F119-F123 AromaticContact CD1-CE1 3.53Å; F119-F123 HydrophobicContact CD1-CE1 3.53Å; F119-F123 HydrophobicContact CE1-CD1 4.15Å; F119-F123 AromaticContact CE1-CE1 3.69Å; F119-F123 HydrophobicContact CE1-CE1 3.69Å; F119-F123 AromaticContact CG-CD1 3.97Å; F119-F123 HydrophobicContact CG-CD1 3.97Å; F119-F123 HydrophobicContact CG-CE1 4.29Å; G120-F123 PolarHBondContact O-N 2.95Å; L121-F123 VanDerWaalsContact C-N 3.35Å; L121-F123 PolarHBondContact O-N 3.22Å; F123-Q125 VanDerWaalsContact C-N 3.28Å; F123-Q125 PolarHBondContact O-N 3.31Å; F123-K126 WeakPolarHBondContact O-CB 3.35Å; F123-K126 PolarHBondContact O-N 2.84Å; F123-I127 HydrophobicContact CD1-CD1 4.15Å; F123-I127 HydrophobicContact CD1-CG1 4.35Å; F123-I127 HydrophobicContact CD1-CG2 4.41Å; F123-I127 HydrophobicContact CE1-CD1 3.79Å; F123-I127 HydrophobicContact CE1-CG1 4.25Å; F123-I127 HydrophobicContact CE1-CG2 3.87Å; F123-I127 HydrophobicContact CE2-CG2 4.22Å; F123-I127 HydrophobicContact CZ-CG2 3.76Å; F123-I127 WeakPolarHBondContact O-CG1 3.38Å; F123-I127 PolarHBondContact O-N 2.94Å; F123-D157 HydrophobicContact CB-CB 3.9Å; F123-D157 WeakPolarHBondContact CB-O 3.29Å; F123-D157 HydrophobicContact CD2-CB 3.89Å; F123-D157 HydrophobicContact CG-CB 4.03Å; F123-I158 HydrophobicContact CD1-CG1 4.13Å; F123-I158 HydrophobicContact CE1-CD1 4.33Å; F123-I158 HydrophobicContact CE1-CG1 3.86Å; F123-I158 HydrophobicContact CE2-CD1 4.19Å; F123-I158 HydrophobicContact CE2-CG1 4.34Å; F123-I158 HydrophobicContact CG-CG1 4.48Å; F123-I158 HydrophobicContact CZ-CD1 3.94Å; F123-I158 HydrophobicContact CZ-CG1 3.98Å
124	L	97.6	Very high	96.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-39.6	177	-174	69.6	0	0	0	111.7	F119 G120 L121 K126 I127 S128 F131 I136 Y139 Y353	F119-L124 HydrophobicContact CB-CB 4.25Å; F119-L124 HydrophobicContact CD2-CD1 4.19Å; G120-L124 PolarHBondContact O-N 3.21Å; L121-L124 PolarHBondContact O-N 3.25Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 2.96Å; L124-I127 HydrophobicContact CD1-CD1 4.29Å; L124-I127 HydrophobicContact CD1-CG1 4.31Å; L124-I127 PolarHBondContact O-N 3.35Å; L124-S128 CarbonylContact O-C 3.48Å; L124-S128 WeakPolarHBondContact O-CA 3.42Å; L124-S128 PolarHBondContact O-N 3.09Å; L124-F131 HydrophobicContact CD2-CB 3.91Å; L124-F131 HydrophobicContact CD2-CD2 3.87Å; L124-F131 HydrophobicContact CD2-CG 4.03Å; L124-F131 HydrophobicContact CG-CB 4.14Å; L124-F131 HydrophobicContact CG-CG 4.41Å; L124-I136 HydrophobicContact CD2-CD1 4.19Å; L124-I136 HydrophobicContact CD2-CG2 4.26Å; L124-Y139 VanDerWaalsContact CB-OH 3.27Å; L124-Y139 WeakPolarHBondContact CB-OH 3.38Å; L124-Y139 HydrophobicContact CD2-CE1 3.75Å; L124-Y139 VanDerWaalsContact CD2-OH 3.28Å; L124-Y139 WeakPolarHBondContact CD2-OH 3.29Å; L124-Y353 HydrophobicContact CD2-CD1 4.13Å; L124-Y353 HydrophobicContact CD2-CG 4.47Å
125	Q	96.9	Very high	96.3	Very high	82 Å²	82	43.1 Å²	43.1	38%	0.383	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-39.3	174	-75.9	170	-6.5	0	0	112.4	L121 F123 P129 F131	L121-Q125 HydrophobicContact CD1-CG 4.38Å; L121-Q125 WeakPolarHBondContact O-CB 3.18Å; L121-Q125 VanDerWaalsContact O-CG 3.26Å; L121-Q125 WeakPolarHBondContact O-CG 3.29Å; L121-Q125 PolarHBondContact O-N 3.01Å; F123-Q125 VanDerWaalsContact C-N 3.28Å; F123-Q125 PolarHBondContact O-N 3.31Å; Q125-P129 WeakPolarHBondContact O-CA 3.38Å; Q125-P129 WeakPolarHBondContact O-CG 3.37Å; Q125-F131 HydrophobicContact CG-CD1 4.37Å; Q125-F131 HydrophobicContact CG-CE1 3.7Å; Q125-F131 HydrophobicContact CG-CZ 4.2Å
126	K	96.5	Very high	96.2	Very high	97 Å²	97	40.8 Å²	40.8	42%	0.422	22%	0.217	S	C	.	.	H	α-helix	trans	-70.5	-40.3	177.3	-66.4	165.1	-169.6	171.5	0	112.9	P84 Q85 E122 F123 L124	P84-K126 HydrophobicContact CB-CB 4.14Å; P84-K126 HydrophobicContact CG-CB 4.01Å; P84-K126 HydrophobicContact CG-CD 3.98Å; P84-K126 HydrophobicContact CG-CG 4.48Å; Q85-K126 PolarHBondContact NE2-O 3.2Å; E122-K126 WeakPolarHBondContact O-CG 3.3Å; E122-K126 PolarHBondContact O-N 3.13Å; F123-K126 WeakPolarHBondContact O-CB 3.35Å; F123-K126 PolarHBondContact O-N 2.84Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 2.96Å
127	I	96.1	Very high	96.1	Very high	22 Å²	22	43.1 Å²	43.1	11%	0.113	23%	0.233	C	C	.	.	H	α-helix	trans	-88.5	-18.8	-177.7	65	160.1	0	0	0	114.1	P84 L88 F119 F123 L124 L363	P84-I127 HydrophobicContact CB-CG2 3.77Å; L88-I127 HydrophobicContact CB-CG2 4.47Å; L88-I127 HydrophobicContact CD1-CD1 4.05Å; L88-I127 HydrophobicContact CD2-CB 3.98Å; L88-I127 HydrophobicContact CD2-CD1 3.75Å; L88-I127 HydrophobicContact CD2-CG1 4.47Å; L88-I127 HydrophobicContact CD2-CG2 4.03Å; L88-I127 HydrophobicContact CG-CD1 4.48Å; F119-I127 HydrophobicContact CD2-CD1 4.06Å; F119-I127 HydrophobicContact CE2-CD1 3.94Å; F119-I127 HydrophobicContact CG-CD1 4.41Å; F119-I127 HydrophobicContact CZ-CD1 4.19Å; F123-I127 HydrophobicContact CD1-CD1 4.15Å; F123-I127 HydrophobicContact CD1-CG1 4.35Å; F123-I127 HydrophobicContact CD1-CG2 4.41Å; F123-I127 HydrophobicContact CE1-CD1 3.79Å; F123-I127 HydrophobicContact CE1-CG1 4.25Å; F123-I127 HydrophobicContact CE1-CG2 3.87Å; F123-I127 HydrophobicContact CE2-CG2 4.22Å; F123-I127 HydrophobicContact CZ-CG2 3.76Å; F123-I127 WeakPolarHBondContact O-CG1 3.38Å; F123-I127 PolarHBondContact O-N 2.94Å; L124-I127 HydrophobicContact CD1-CD1 4.29Å; L124-I127 HydrophobicContact CD1-CG1 4.31Å; L124-I127 PolarHBondContact O-N 3.35Å; I127-L363 HydrophobicContact CD1-CD1 4.46Å; I127-L363 HydrophobicContact CD1-CD2 4.4Å
128	S	95.4	Very high	95.9	Very high	5 Å²	5	47.1 Å²	47.1	4%	0.035	25%	0.254	C	S	.	.			trans	-149.6	78.4	177.1	-178	0	0	0	0	110.3	L124 N130 F131 R134	L124-S128 CarbonylContact O-C 3.48Å; L124-S128 WeakPolarHBondContact O-CA 3.42Å; L124-S128 PolarHBondContact O-N 3.09Å; S128-N130 PolarHBondContact O-N 3.45Å; S128-N130 PolarHBondContact OG-OD1 2.85Å; S128-F131 WeakPolarHBondContact O-CB 3.46Å; S128-F131 WeakPolarHBondContact O-CD1 3.41Å; S128-F131 PolarHBondContact O-N 3.09Å; S128-R134 VanDerWaalsContact OG-CZ 3.27Å; S128-R134 PolarHBondContact OG-NE 3.04Å; S128-R134 PolarHBondContact OG-NH2 3.47Å
129	P	94.3	Very high	95.9	Very high	107 Å²	107	47.2 Å²	47.2	70%	0.695	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.2	178.5	-26.4	34.5	0	0	0	113.9	Q125	Q125-P129 WeakPolarHBondContact O-CA 3.38Å; Q125-P129 WeakPolarHBondContact O-CG 3.37Å
130	N	93.6	Very high	95.9	Very high	88 Å²	88	50.9 Å²	50.9	47%	0.471	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	12.2	177.9	66.9	-3.2	0	0	0	114.8	S128 Q132 S133	S128-N130 PolarHBondContact O-N 3.45Å; S128-N130 PolarHBondContact OG-OD1 2.85Å; N130-Q132 PolarHBondContact O-N 2.63Å; N130-S133 PolarHBondContact O-N 3.11Å; N130-S133 PolarHBondContact O-OG 2.93Å
131	F	94.5	Very high	95.8	Very high	10 Å²	10	50.9 Å²	50.9	4%	0.044	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-48.7	-38.1	-173.6	73.3	-75.6	0	0	0	114.6	L121 L124 Q125 S128 S133 R134 I136	L121-F131 HydrophobicContact CD1-CE2 4.11Å; L121-F131 HydrophobicContact CD1-CZ 4.02Å; L124-F131 HydrophobicContact CD2-CB 3.91Å; L124-F131 HydrophobicContact CD2-CD2 3.87Å; L124-F131 HydrophobicContact CD2-CG 4.03Å; L124-F131 HydrophobicContact CG-CB 4.14Å; L124-F131 HydrophobicContact CG-CG 4.41Å; Q125-F131 HydrophobicContact CG-CD1 4.37Å; Q125-F131 HydrophobicContact CG-CE1 3.7Å; Q125-F131 HydrophobicContact CG-CZ 4.2Å; S128-F131 WeakPolarHBondContact O-CB 3.46Å; S128-F131 WeakPolarHBondContact O-CD1 3.41Å; S128-F131 PolarHBondContact O-N 3.09Å; F131-S133 PolarHBondContact O-N 2.98Å; F131-R134 WeakPolarHBondContact O-CB 3.16Å; F131-R134 PolarHBondContact O-N 2.77Å; F131-R134 VanDerWaalsContact O-N 3.1Å; F131-I136 HydrophobicContact CB-CD1 4.08Å; F131-I136 HydrophobicContact CD2-CB 3.93Å; F131-I136 HydrophobicContact CD2-CG2 3.79Å; F131-I136 HydrophobicContact CE2-CG2 4.42Å; F131-I136 PolarHBondContact O-N 2.95Å
132	Q	94.3	Very high	95.8	Very high	122 Å²	122	56.2 Å²	56.2	57%	0.57	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63.2	-38	178.2	-63.8	-176.4	-40.8	0	0	113.3	N130 R134 G135 I136	N130-Q132 PolarHBondContact O-N 2.63Å; Q132-R134 PolarHBondContact O-N 2.88Å; Q132-G135 PolarHBondContact O-N 3.26Å; Q132-I136 WeakPolarHBondContact CA-O 3.19Å
133	S	93.8	Very high	95.8	Very high	101 Å²	101	55.8 Å²	55.8	71%	0.706	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-69.4	-17.8	177	75.6	0	0	0	0	112.6	N130 F131 G135	N130-S133 PolarHBondContact O-N 3.11Å; N130-S133 PolarHBondContact O-OG 2.93Å; F131-S133 PolarHBondContact O-N 2.98Å; S133-G135 VanDerWaalsContact C-N 3.27Å
134	R	90.2	Very high	95.8	Very high	72 Å²	72	56.1 Å²	56.1	27%	0.272	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-83.7	-1.1	173.4	-50.5	-169.6	-67.3	101.7	-3.8	112.9	S128 F131 Q132 E359	S128-R134 VanDerWaalsContact OG-CZ 3.27Å; S128-R134 PolarHBondContact OG-NE 3.04Å; S128-R134 PolarHBondContact OG-NH2 3.47Å; F131-R134 WeakPolarHBondContact O-CB 3.16Å; F131-R134 PolarHBondContact O-N 2.77Å; F131-R134 VanDerWaalsContact O-N 3.1Å; Q132-R134 PolarHBondContact O-N 2.88Å; R134-E359 IonicContact CZ-OE1 2.65Å; R134-E359 VanDerWaalsContact NH1-CD 3.31Å; R134-E359 IonicContact NH1-OE1 2.74Å; R134-E359 PolarHBondContact NH1-OE1 2.88Å; R134-E359 IonicContact NH2-OE1 2.81Å; R134-E359 PolarHBondContact NH2-OE1 3.11Å
135	G	93.8	Very high	95.8	Very high	21 Å²	21	59 Å²	59	22%	0.216	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	2	176	0	0	0	0	0	115.4	Q132 S133 S137	Q132-G135 PolarHBondContact O-N 3.26Å; S133-G135 VanDerWaalsContact C-N 3.27Å; G135-S137 PolarHBondContact O-N 2.99Å
136	I	96.9	Very high	95.8	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	30%	0.302	C	S	.	.			trans	-81.9	110.2	-179.2	-56.8	166	0	0	0	109	L124 F131 Q132 Y139 T228 Y232 Y353 E359	L124-I136 HydrophobicContact CD2-CD1 4.19Å; L124-I136 HydrophobicContact CD2-CG2 4.26Å; F131-I136 HydrophobicContact CB-CD1 4.08Å; F131-I136 HydrophobicContact CD2-CB 3.93Å; F131-I136 HydrophobicContact CD2-CG2 3.79Å; F131-I136 HydrophobicContact CE2-CG2 4.42Å; F131-I136 PolarHBondContact O-N 2.95Å; Q132-I136 WeakPolarHBondContact CA-O 3.19Å; I136-Y139 HydrophobicContact CG2-CD1 4.3Å; I136-Y139 HydrophobicContact CG2-CE1 4.17Å; I136-T228 HydrophobicContact CG1-CG2 3.75Å; I136-Y232 HydrophobicContact CG2-CE1 4.26Å; I136-Y232 WeakPolarHBondContact CG2-OH 3.47Å; I136-Y353 HydrophobicContact CD1-CD1 4.08Å; I136-Y353 HydrophobicContact CD1-CE1 3.51Å; I136-Y353 HydrophobicContact CD1-CE2 4.35Å; I136-Y353 HydrophobicContact CG1-CE1 4.08Å; I136-Y353 HydrophobicContact CG1-CE2 4.01Å; I136-Y353 HydrophobicContact CG2-CD2 3.99Å; I136-Y353 HydrophobicContact CG2-CE2 4.12Å; I136-Y353 HydrophobicContact CG2-CG 4.24Å; I136-E359 WeakPolarHBondContact CD1-OE1 3.36Å
137	S	95.8	Very high	95.8	Very high	49 Å²	49	58.6 Å²	58.6	34%	0.343	32%	0.32	S	S	.	.			trans	-56.7	152.8	168.3	-60.2	0	0	0	0	111.4	G135 Y139 Y232	G135-S137 PolarHBondContact O-N 2.99Å; S137-Y139 WeakPolarHBondContact O-CD1 3.45Å; S137-Y232 WeakPolarHBondContact CB-OH 3.49Å; S137-Y232 PolarHBondContact N-OH 2.94Å; S137-Y232 PolarHBondContact O-OH 2.92Å
138	N	96.1	Very high	95.9	Very high	83 Å²	83	60 Å²	60	44%	0.444	33%	0.327	S	S	.	.			trans	-61.2	137.1	168	-173.3	55	0	0	0	110.4	L121	L121-N138 WeakPolarHBondContact CD2-OD1 3.14Å
139	Y	97.8	Very high	96	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.008	34%	0.338	C	S	.	.			trans	-132.2	39.8	-174.9	60.6	-83.5	0	0	0	112	F119 G120 L121 L124 I136 S137 Y141 Y232 Y351 Y353	F119-Y139 WeakPolarHBondContact O-CE2 3.31Å; F119-Y139 PolarHBondContact O-OH 3.49Å; G120-Y139 PolarHBondContact O-OH 3.45Å; L121-Y139 WeakPolarHBondContact CA-OH 3.5Å; L121-Y139 HydrophobicContact CB-CD2 4.33Å; L121-Y139 HydrophobicContact CB-CE2 3.94Å; L121-Y139 HydrophobicContact CD1-CD1 3.97Å; L121-Y139 HydrophobicContact CD1-CE1 3.71Å; L124-Y139 VanDerWaalsContact CB-OH 3.27Å; L124-Y139 WeakPolarHBondContact CB-OH 3.38Å; L124-Y139 HydrophobicContact CD2-CE1 3.75Å; L124-Y139 VanDerWaalsContact CD2-OH 3.28Å; L124-Y139 WeakPolarHBondContact CD2-OH 3.29Å; I136-Y139 HydrophobicContact CG2-CD1 4.3Å; I136-Y139 HydrophobicContact CG2-CE1 4.17Å; S137-Y139 WeakPolarHBondContact O-CD1 3.45Å; Y139-Y141 PolarHBondContact O-N 3.1Å; Y139-Y232 HydrophobicContact CD1-CD1 4.32Å; Y139-Y232 AromaticContact CD1-CE1 3.77Å; Y139-Y232 HydrophobicContact CD1-CE1 3.77Å; Y139-Y232 HydrophobicContact CG-CD1 4.02Å; Y139-Y232 AromaticContact CG-CE1 3.89Å; Y139-Y232 HydrophobicContact CG-CE1 3.89Å; Y139-Y351 WeakPolarHBondContact O-CB 3.38Å; Y139-Y351 WeakPolarHBondContact O-CD2 3.48Å; Y139-Y353 VanDerWaalsContact CZ-CB 3.47Å; Y139-Y353 WeakPolarHBondContact OH-CB 3.42Å
140	E	97.7	Very high	96.1	Very high	77 Å²	77	61.2 Å²	61.2	36%	0.36	33%	0.328	S	S	.	.			trans	-62.1	121.9	176.3	172.4	64.5	166.4	0	0	110.9	L121 R142 K153	L121-E140 HydrophobicContact CD2-CB 3.8Å; E140-R142 PolarHBondContact O-N 3.29Å; E140-K153 IonicContact OE1-NZ 2.7Å; E140-K153 PolarHBondContact OE1-NZ 2.98Å; E140-K153 WeakPolarHBondContact OE2-CE 3.27Å; E140-K153 IonicContact OE2-NZ 3.79Å; E140-K153 PolarHBondContact OE2-NZ 3.1Å
141	Y	98.1	Very high	96.4	Very high	1 Å²	1	57 Å²	57	0%	0.004	31%	0.306	C	S	.	.			trans	-75.9	113.8	176.7	-176.2	-82.3	0	0	0	110.1	Y139 P152 K153 V234 Q236 L325 N350 Y351	Y139-Y141 PolarHBondContact O-N 3.1Å; Y141-P152 VanDerWaalsContact CE1-O 3.26Å; Y141-P152 WeakPolarHBondContact CE1-O 3.5Å; Y141-K153 HydrophobicContact CD1-CB 3.88Å; Y141-K153 HydrophobicContact CD1-CG 3.99Å; Y141-K153 HydrophobicContact CE1-CB 4.4Å; Y141-K153 WeakPolarHBondContact O-CD 3.25Å; Y141-V234 HydrophobicContact CE2-CG2 4.29Å; Y141-Q236 PolarHBondContact OH-NE2 2.87Å; Y141-L325 HydrophobicContact CE2-CD1 4.04Å; Y141-N350 VanDerWaalsContact CD2-C 3.47Å; Y141-Y351 AromaticContact CD2-CD1 3.56Å; Y141-Y351 HydrophobicContact CD2-CD1 3.56Å; Y141-Y351 HydrophobicContact CD2-CD2 4.17Å; Y141-Y351 AromaticContact CD2-CE1 3.69Å; Y141-Y351 HydrophobicContact CD2-CE1 3.69Å; Y141-Y351 HydrophobicContact CD2-CE2 4.32Å; Y141-Y351 AromaticContact CD2-CG 3.79Å; Y141-Y351 HydrophobicContact CD2-CG 3.79Å; Y141-Y351 HydrophobicContact CE2-CD1 4.22Å; Y141-Y351 HydrophobicContact CE2-CE1 4.05Å; Y141-Y351 HydrophobicContact CG-CG 4.44Å
142	R	96.6	Very high	96.6	Very high	128 Å²	128	57.6 Å²	57.6	48%	0.483	31%	0.311	S	S	.	.			trans	-79	125.1	174.5	-59.1	-173.4	-63.8	154.3	4.9	110.6	E140 R144 D326	E140-R142 PolarHBondContact O-N 3.29Å; R142-R144 PolarHBondContact O-NH1 3Å; R142-D326 IonicContact CZ-OD1 2.79Å; R142-D326 IonicContact CZ-OD2 2.81Å; R142-D326 IonicContact NH2-OD1 2.71Å; R142-D326 PolarHBondContact NH2-OD1 2.95Å; R142-D326 IonicContact NH2-OD2 3.6Å; R142-D326 PolarHBondContact NH2-OD2 2.93Å
143	E	97.7	Very high	96.7	Very high	102 Å²	102	55 Å²	55	48%	0.477	30%	0.297	S	S	.	.			trans	-62.7	138.8	163.1	174.7	161.1	138	0	0	109.6	K150 L151 P152 K153	E143-K150 IonicContact OE1-NZ 3.4Å; E143-L151 WeakPolarHBondContact CA-O 3.22Å; E143-P152 WeakPolarHBondContact OE2-CA 3.23Å; E143-K153 HydrophobicContact CB-CB 4.28Å; E143-K153 PolarHBondContact OE2-N 3.22Å
144	R	98.2	Very high	96.9	Very high	8 Å²	8	52.9 Å²	52.9	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.1	179.6	-62.4	158.2	172.2	96	-10.3	110.5	R142 K150 L151 D322 D326 T329 D331	R142-R144 PolarHBondContact O-NH1 3Å; R144-K150 WeakPolarHBondContact O-CA 3.37Å; R144-L151 HydrophobicContact CB-CB 4.2Å; R144-L151 HydrophobicContact CB-CD1 4.29Å; R144-L151 PolarHBondContact N-O 3.09Å; R144-L151 PolarHBondContact O-N 2.77Å; R144-D322 IonicContact CZ-OD1 3.15Å; R144-D322 IonicContact NH1-OD1 3.65Å; R144-D322 IonicContact NH2-OD1 2.7Å; R144-D322 PolarHBondContact NH2-OD1 2.83Å; R144-D326 IonicContact CZ-OD1 3.88Å; R144-D326 IonicContact NE-OD1 3.88Å; R144-D326 PolarHBondContact NE-OD1 3.25Å; R144-D326 IonicContact NH2-OD1 3.54Å; R144-D326 PolarHBondContact NH2-OD1 2.7Å; R144-T329 HydrophobicContact CB-CG2 3.7Å; R144-T329 WeakPolarHBondContact CB-OG1 3.49Å; R144-D331 WeakPolarHBondContact CB-OD2 3.3Å
145	S	97.4	Very high	97.2	Very high	59 Å²	59	50.3 Å²	50.3	41%	0.413	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	121.2	-178.6	-69.8	0	0	0	0	110.7	K150	S145-K150 WeakPolarHBondContact OG-CD 3.45Å; S145-K150 VanDerWaalsContact OG-CE 3.25Å; S145-K150 WeakPolarHBondContact OG-CE 3.44Å; S145-K150 WeakPolarHBondContact OG-CG 3.16Å
146	G	96.8	Very high	97.4	Very high	23 Å²	23	50 Å²	50	24%	0.237	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	176.3	176.4	0	0	0	0	0	112.6	L148 G149 T329	G146-L148 PolarHBondContact O-N 2.94Å; G146-L148 VanDerWaalsContact O-N 3.14Å; G146-G149 PolarHBondContact N-O 3.21Å; G146-G149 PolarHBondContact O-N 3.47Å; G146-G149 VanDerWaalsContact O-N 3.12Å; G146-G149 VanDerWaalsContact O-O 3.05Å; G146-T329 WeakPolarHBondContact CA-O 3.46Å
147	N	96.9	Very high	97.5	Very high	148 Å²	148	50.8 Å²	50.8	79%	0.791	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.9	-175.3	-60.1	-58.4	0	0	0	114.1	N337	N147-N337 WeakPolarHBondContact CB-OD1 3.33Å; N147-N337 PolarHBondContact N-OD1 2.96Å; N147-N337 PolarHBondContact ND2-OD1 3.28Å; N147-N337 VanDerWaalsContact ND2-OD1 3.1Å
148	L	97.7	Very high	97.7	Very high	51 Å²	51	48.4 Å²	48.4	27%	0.267	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.8	179.6	-62.3	-178.8	0	0	0	113.8	G146 N337 D338 M341 R342	G146-L148 PolarHBondContact O-N 2.94Å; G146-L148 VanDerWaalsContact O-N 3.14Å; L148-N337 HydrophobicContact CB-CB 4.48Å; L148-N337 HydrophobicContact CD1-CB 3.79Å; L148-N337 HydrophobicContact CG-CB 3.99Å; L148-D338 VanDerWaalsContact CD1-O 3.29Å; L148-D338 WeakPolarHBondContact CD1-O 3.31Å; L148-M341 HydrophobicContact CB-CB 3.72Å; L148-M341 HydrophobicContact CD1-CB 4.44Å; L148-R342 HydrophobicContact CD1-CG 3.94Å; L148-R342 HydrophobicContact CD2-CG 4.24Å
149	G	97.2	Very high	97.8	Very high	24 Å²	24	44.5 Å²	44.5	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-172.7	178.5	0	0	0	0	0	114.2	G146	G146-G149 PolarHBondContact N-O 3.21Å; G146-G149 PolarHBondContact O-N 3.47Å; G146-G149 VanDerWaalsContact O-N 3.12Å; G146-G149 VanDerWaalsContact O-O 3.05Å
150	K	98	Very high	97.8	Very high	114 Å²	114	44.4 Å²	44.4	50%	0.496	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.8	-178.5	-60.4	-164.6	167.3	-159.6	0	111.6	E143 R144 S145 C346	E143-K150 IonicContact OE1-NZ 3.4Å; R144-K150 WeakPolarHBondContact O-CA 3.37Å; S145-K150 WeakPolarHBondContact OG-CD 3.45Å; S145-K150 VanDerWaalsContact OG-CE 3.25Å; S145-K150 WeakPolarHBondContact OG-CE 3.44Å; S145-K150 WeakPolarHBondContact OG-CG 3.16Å; K150-C346 WeakPolarHBondContact O-CB 3.37Å
151	L	98.6	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	85.6	166.6	-56.6	175.8	0	0	0	107.2	E143 R144 W238 L325 T329 M341 C346	E143-L151 WeakPolarHBondContact CA-O 3.22Å; R144-L151 HydrophobicContact CB-CB 4.2Å; R144-L151 HydrophobicContact CB-CD1 4.29Å; R144-L151 PolarHBondContact N-O 3.09Å; R144-L151 PolarHBondContact O-N 2.77Å; L151-W238 HydrophobicContact CD2-CH2 3.54Å; L151-W238 HydrophobicContact CD2-CZ2 3.56Å; L151-L325 HydrophobicContact CD1-CB 3.87Å; L151-L325 HydrophobicContact CD1-CD2 3.97Å; L151-L325 HydrophobicContact CD1-CG 4.31Å; L151-T329 HydrophobicContact CD1-CG2 3.79Å; L151-T329 HydrophobicContact CG-CG2 3.8Å; L151-M341 HydrophobicContact CD2-CE 4.32Å; L151-C346 HydrophobicContact CD2-CB 3.79Å
152	P	98.5	Very high	97.9	Very high	23 Å²	23	40.7 Å²	40.7	15%	0.149	22%	0.222	C	C	.	.			trans	-69.9	149.7	-169.7	29.1	-35.7	0	0	0	112.6	Y141 E143 T154 G349	Y141-P152 VanDerWaalsContact CE1-O 3.26Å; Y141-P152 WeakPolarHBondContact CE1-O 3.5Å; E143-P152 WeakPolarHBondContact OE2-CA 3.23Å; P152-T154 HydrophobicContact CB-CG2 4.5Å; P152-G349 VanDerWaalsContact O-CA 3.32Å; P152-G349 WeakPolarHBondContact O-CA 3.41Å; P152-G349 PolarHBondContact O-N 2.94Å
153	K	98	Very high	98	Very high	67 Å²	67	34.8 Å²	34.8	29%	0.291	20%	0.2	S	C	.	.			trans	-87.9	108.9	167.3	-172.3	-167.9	-173.4	-171.7	0	109.2	E140 Y141 E143	E140-K153 IonicContact OE1-NZ 2.7Å; E140-K153 PolarHBondContact OE1-NZ 2.98Å; E140-K153 WeakPolarHBondContact OE2-CE 3.27Å; E140-K153 IonicContact OE2-NZ 3.79Å; E140-K153 PolarHBondContact OE2-NZ 3.1Å; Y141-K153 HydrophobicContact CD1-CB 3.88Å; Y141-K153 HydrophobicContact CD1-CG 3.99Å; Y141-K153 HydrophobicContact CE1-CB 4.4Å; Y141-K153 WeakPolarHBondContact O-CD 3.25Å; E143-K153 HydrophobicContact CB-CB 4.28Å; E143-K153 PolarHBondContact OE2-N 3.22Å
154	T	97.6	Very high	97.9	Very high	57 Å²	57	29.9 Å²	29.9	35%	0.35	18%	0.177	S	C	.	.			trans	-104	-11.9	178.4	53.6	0	0	0	0	114.6	H77 P152 T348 G349	H77-T154 PolarHBondContact CE1-O 3.35Å; P152-T154 HydrophobicContact CB-CG2 4.5Å; T154-T348 HydrophobicContact CG2-CG2 4.29Å; T154-T348 WeakPolarHBondContact OG1-CB 3.45Å; T154-G349 PolarHBondContact N-O 3.17Å; T154-G349 PolarHBondContact OG1-N 3.39Å; T154-G349 PolarHBondContact OG1-O 3.24Å
155	G	96.3	Very high	97.8	Very high	18 Å²	18	32.1 Å²	32.1	19%	0.186	19%	0.188	C	C	.	.			trans	65.7	-151.8	176.7	0	0	0	0	0	114	N350	G155-N350 PolarHBondContact O-ND2 3.4Å
156	G	98.1	Very high	97.7	Very high	14 Å²	14	33.5 Å²	33.5	14%	0.144	19%	0.188	C	C	.	.			trans	122.3	148	-174.5	0	0	0	0	0	111.5	H77 G120 W352	H77-G156 VanDerWaalsContact CE1-CA 3.47Å; H77-G156 WeakPolarHBondContact CE1-CA 3.38Å; H77-G156 PolarHBondContact CE1-N 3.24Å; G120-G156 WeakPolarHBondContact CA-O 3.38Å; G156-W352 WeakPolarHBondContact O-CZ3 3.49Å
157	D	98.6	Very high	97.6	Very high	18 Å²	18	37.5 Å²	37.5	10%	0.096	20%	0.196	C	C	.	.	S	Bend	trans	-93.9	-49.3	-170.1	-66.2	-84	0	0	0	111.9	I76 H77 L78 G120 F123	I76-D157 PolarHBondContact O-N 2.88Å; H77-D157 WeakPolarHBondContact CA-OD2 3.17Å; L78-D157 HydrophobicContact CD1-CB 4.14Å; L78-D157 HydrophobicContact CG-CB 4Å; L78-D157 PolarHBondContact N-OD2 2.96Å; G120-D157 PolarHBondContact N-O 2.92Å; F123-D157 HydrophobicContact CB-CB 3.9Å; F123-D157 WeakPolarHBondContact CB-O 3.29Å; F123-D157 HydrophobicContact CD2-CB 3.89Å; F123-D157 HydrophobicContact CG-CB 4.03Å
158	I	98.8	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.3	-177.6	-60.2	149.5	0	0	0	108.2	I76 L78 C87 I91 V117 F119 F123 I160	I76-I158 HydrophobicContact CB-CB 4.33Å; I76-I158 HydrophobicContact CD1-CG2 4.42Å; I76-I158 PolarHBondContact N-O 2.93Å; I76-I158 PolarHBondContact O-N 2.6Å; L78-I158 HydrophobicContact CD1-CD1 3.93Å; L78-I158 HydrophobicContact CD2-CD1 4.29Å; L78-I158 HydrophobicContact CG-CD1 4.32Å; C87-I158 HydrophobicContact CB-CD1 4.45Å; I91-I158 HydrophobicContact CD1-CG2 4.38Å; I91-I158 HydrophobicContact CG1-CD1 4.09Å; I91-I158 HydrophobicContact CG1-CG2 4.3Å; I91-I158 HydrophobicContact CG2-CG2 4.4Å; V117-I158 HydrophobicContact CG1-CG2 4Å; F119-I158 HydrophobicContact CD1-CG1 4.23Å; F119-I158 HydrophobicContact CE1-CG1 4.36Å; F123-I158 HydrophobicContact CD1-CG1 4.13Å; F123-I158 HydrophobicContact CE1-CD1 4.33Å; F123-I158 HydrophobicContact CE1-CG1 3.86Å; F123-I158 HydrophobicContact CE2-CD1 4.19Å; F123-I158 HydrophobicContact CE2-CG1 4.34Å; F123-I158 HydrophobicContact CG-CG1 4.48Å; F123-I158 HydrophobicContact CZ-CD1 3.94Å; F123-I158 HydrophobicContact CZ-CG1 3.98Å; I158-I160 HydrophobicContact CG2-CD1 3.79Å
159	F	98.9	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.3	175	-178	-104.6	0	0	0	110.4	Y73 L74 T75 V117 G118 H161 V235 I312 W352 F354	Y73-F159 HydrophobicContact CD1-CZ 4.09Å; L74-F159 CarbonylContact O-C 3.45Å; L74-F159 VanDerWaalsContact O-CA 3.27Å; L74-F159 WeakPolarHBondContact O-CA 3.03Å; L74-F159 WeakPolarHBondContact O-CD2 3.43Å; T75-F159 WeakPolarHBondContact OG1-CD2 3.47Å; V117-F159 CarbonylContact C-O 3.58Å; V117-F159 WeakPolarHBondContact CA-O 3.5Å; G118-F159 PolarHBondContact N-O 3.28Å; G118-F159 PolarHBondContact O-N 3.05Å; F159-H161 HydrophobicContact CE1-CB 3.89Å; F159-V235 HydrophobicContact CD1-CG2 4.17Å; F159-V235 HydrophobicContact CE1-CG2 3.57Å; F159-V235 HydrophobicContact CE2-CG1 3.96Å; F159-V235 HydrophobicContact CE2-CG2 4.19Å; F159-V235 HydrophobicContact CZ-CB 4.33Å; F159-V235 HydrophobicContact CZ-CG1 3.84Å; F159-V235 HydrophobicContact CZ-CG2 3.58Å; F159-I312 HydrophobicContact CE1-CD1 3.83Å; F159-I312 HydrophobicContact CZ-CD1 4.35Å; F159-W352 HydrophobicContact CB-CD2 3.54Å; F159-W352 HydrophobicContact CB-CE3 3.42Å; F159-W352 VanDerWaalsContact CB-CE3 3.42Å; F159-W352 HydrophobicContact CB-CG 4.27Å; F159-W352 HydrophobicContact CB-CH2 3.72Å; F159-W352 HydrophobicContact CB-CZ2 3.83Å; F159-W352 HydrophobicContact CB-CZ3 3.53Å; F159-W352 HydrophobicContact CD2-CZ2 4.16Å; F159-W352 HydrophobicContact CG-CD2 4.11Å; F159-W352 AromaticContact CG-CE2 3.98Å; F159-W352 HydrophobicContact CG-CE3 4.45Å; F159-W352 HydrophobicContact CG-CZ2 4.21Å; F159-F354 HydrophobicContact CD1-CE2 4.11Å; F159-F354 AromaticContact CD1-CZ 3.73Å; F159-F354 HydrophobicContact CD1-CZ 3.73Å; F159-F354 HydrophobicContact CE1-CZ 4.09Å
160	I	98.8	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.8	173.4	-61.6	91.3	0	0	0	108.5	Y73 L74 I76 I91 I94 G116 V117 I158 A162 I177	Y73-I160 WeakPolarHBondContact CA-O 3.47Å; L74-I160 HydrophobicContact CB-CB 4.26Å; L74-I160 HydrophobicContact CD2-CD1 4.12Å; L74-I160 HydrophobicContact CG-CD1 4.27Å; L74-I160 PolarHBondContact N-O 3.4Å; L74-I160 PolarHBondContact O-N 2.65Å; I76-I160 HydrophobicContact CD1-CD1 3.78Å; I91-I160 HydrophobicContact CD1-CD1 4.46Å; I94-I160 HydrophobicContact CD1-CG1 4.26Å; I94-I160 HydrophobicContact CD1-CG2 4.01Å; G116-I160 WeakPolarHBondContact O-CA 3.37Å; V117-I160 HydrophobicContact CG2-CG1 4.25Å; I158-I160 HydrophobicContact CG2-CD1 3.79Å; I160-A162 HydrophobicContact CG2-CB 4.36Å; I160-I177 HydrophobicContact CD1-CD1 4.3Å; I160-I177 HydrophobicContact CD1-CG2 4.37Å; I160-I177 HydrophobicContact CG1-CD1 4.12Å; I160-I177 HydrophobicContact CG2-CD1 4.28Å
161	H	98.8	Very high	97.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.8	165.1	179.2	-156.7	0	0	0	108.6	S62 L72 Y73 Y115 G116 F159 Q296 I312 Y314 F354	S62-H161 VanDerWaalsContact CB-O 3.25Å; S62-H161 WeakPolarHBondContact CB-O 3.43Å; S62-H161 PolarHBondContact OG-O 3.05Å; L72-H161 WeakPolarHBondContact O-CA 3.36Å; Y73-H161 AromaticContact CD1-CD2 3.56Å; Y73-H161 AromaticContact CE1-CD2 3.39Å; Y73-H161 WeakPolarHBondContact CE1-CD2 3.47Å; Y73-H161 AromaticContact CE1-NE2 3.34Å; Y73-H161 VanDerWaalsContact CE1-NE2 3.34Å; Y73-H161 WeakPolarHBondContact CE1-NE2 3.27Å; Y115-H161 CarbonylContact C-O 3.55Å; Y115-H161 WeakPolarHBondContact CA-O 3.37Å; G116-H161 PolarHBondContact N-O 3.07Å; G116-H161 PolarHBondContact O-N 3.38Å; F159-H161 HydrophobicContact CE1-CB 3.89Å; H161-Q296 PolarHBondContact CE1-OE1 3.39Å; H161-I312 HydrophobicContact CB-CD1 4.18Å; H161-Y314 AromaticContact ND1-CE2 3.8Å; H161-Y314 AromaticContact ND1-CZ 3.78Å; H161-Y314 PolarHBondContact ND1-OH 3.25Å; H161-F354 HydrophobicContact CB-CE1 4.32Å; H161-F354 HydrophobicContact CB-CZ 4.18Å
162	A	98.6	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	156.1	175.3	0	0	0	0	0	111.4	A71 L72 I113 L114 I160 L170 L173	A71-A162 CarbonylContact C-O 3.49Å; A71-A162 WeakPolarHBondContact CA-O 3.34Å; L72-A162 HydrophobicContact CB-CB 4.26Å; L72-A162 PolarHBondContact N-O 2.84Å; L72-A162 PolarHBondContact O-N 2.99Å; I113-A162 HydrophobicContact CG2-CB 3.99Å; L114-A162 CarbonylContact O-C 3.59Å; L114-A162 VanDerWaalsContact O-CA 3.24Å; L114-A162 WeakPolarHBondContact O-CA 3.38Å; I160-A162 HydrophobicContact CG2-CB 4.36Å; A162-L170 HydrophobicContact CB-CD2 3.86Å; A162-L173 HydrophobicContact CB-CD2 3.82Å
163	K	97.8	Very high	97.6	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.6	-176.9	-52.1	173.6	-173.1	168.2	0	109.9	S62 S65 E66 K68 H70 A71 I113 L114 Q296	S62-K163 PolarHBondContact O-NZ 2.93Å; S65-K163 PolarHBondContact O-NZ 2.88Å; S65-K163 PolarHBondContact OG-NZ 3.13Å; E66-K163 WeakPolarHBondContact O-CD 3.31Å; E66-K163 PolarHBondContact O-NZ 3.48Å; K68-K163 HydrophobicContact CB-CB 4.12Å; K68-K163 HydrophobicContact CD-CB 4.28Å; K68-K163 HydrophobicContact CG-CB 4.16Å; H70-K163 WeakPolarHBondContact O-CA 3.41Å; A71-K163 HydrophobicContact CB-CG 4.47Å; I113-K163 WeakPolarHBondContact CA-O 3.46Å; L114-K163 HydrophobicContact CB-CB 4.46Å; L114-K163 PolarHBondContact N-O 3.46Å; L114-K163 PolarHBondContact O-N 3.16Å; K163-Q296 VanDerWaalsContact NZ-CD 3.32Å
164	C	96.9	Very high	97.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.5	175	-165.3	0	0	0	0	109.3	K68 H70 E112 I113 E166 L170	K68-C164 WeakPolarHBondContact CB-O 3.3Å; H70-C164 PolarHBondContact N-O 2.85Å; H70-C164 PolarHBondContact O-N 3.15Å; H70-C164 VanDerWaalsContact O-N 3.1Å; H70-C164 VanDerWaalsContact O-O 3.06Å; E112-C164 PolarHBondContact O-SG 2.82Å; I113-C164 HydrophobicContact CG1-CB 4.46Å; C164-E166 VanDerWaalsContact C-N 3.29Å; C164-E166 PolarHBondContact SG-N 3.35Å; C164-E166 VanDerWaalsContact SG-N 3.44Å; C164-L170 HydrophobicContact CB-CD1 4.17Å; C164-L170 HydrophobicContact CB-CD2 3.91Å; C164-L170 HydrophobicContact CB-CG 3.82Å
165	H	96.2	Very high	97.7	Very high	55 Å²	55	30.9 Å²	30.9	26%	0.255	16%	0.159	S	C	.	.	S	Bend	trans	-82.7	-11.7	167	-55.5	-87.9	0	0	0	112.2	K68 S69 H70 E109 E110	K68-H165 WeakPolarHBondContact CD-NE2 3.25Å; K68-H165 WeakPolarHBondContact CG-NE2 3.43Å; K68-H165 PolarHBondContact NZ-NE2 2.61Å; K68-H165 VanDerWaalsContact NZ-NE2 3.14Å; S69-H165 PolarHBondContact N-ND1 2.83Å; S69-H165 PolarHBondContact OG-ND1 3.03Å; H70-H165 PolarHBondContact CD2-O 3.06Å; E109-H165 PolarHBondContact O-CD2 3.31Å; E110-H165 VanDerWaalsContact O-CB 3.3Å; E110-H165 WeakPolarHBondContact O-CB 3.33Å; E110-H165 PolarHBondContact O-CD2 3.03Å; E110-H165 IonicContact OE2-CG 2.67Å
166	E	94.8	Very high	97.8	Very high	88 Å²	88	31 Å²	31	41%	0.411	16%	0.159	S	C	.	.			trans	-106.7	119	175.4	-63.2	-179.4	-104.9	0	0	111.7	C164 G168 K169	C164-E166 VanDerWaalsContact C-N 3.29Å; C164-E166 PolarHBondContact SG-N 3.35Å; C164-E166 VanDerWaalsContact SG-N 3.44Å; E166-G168 PolarHBondContact O-N 2.79Å; E166-K169 HydrophobicContact CB-CB 4.44Å; E166-K169 HydrophobicContact CB-CD 4.16Å; E166-K169 HydrophobicContact CB-CG 4.19Å; E166-K169 WeakPolarHBondContact OE1-CE 3.41Å; E166-K169 IonicContact OE1-NZ 3.71Å; E166-K169 PolarHBondContact OE1-NZ 2.66Å
167	Y	95.2	Very high	97.8	Very high	106 Å²	106	30.4 Å²	30.4	42%	0.416	15%	0.152	S	C	.	.	H	α-helix	trans	-61	-41.7	177	-175.3	-76.1	0	0	0	112.5	K169 L170 F171 Y193	Y167-K169 VanDerWaalsContact C-N 3.34Å; Y167-K169 PolarHBondContact O-N 2.95Å; Y167-L170 WeakPolarHBondContact O-CB 3.48Å; Y167-L170 PolarHBondContact O-N 3.05Å; Y167-L170 VanDerWaalsContact O-N 3.11Å; Y167-F171 HydrophobicContact CE1-CB 4.43Å; Y167-F171 PolarHBondContact O-N 3.13Å; Y167-Y193 HydrophobicContact CE1-CD1 4.4Å; Y167-Y193 HydrophobicContact CE1-CG 4.38Å; Y167-Y193 HydrophobicContact CE2-CD1 4.17Å; Y167-Y193 HydrophobicContact CE2-CD2 4.43Å; Y167-Y193 AromaticContact CE2-CG 3.74Å; Y167-Y193 HydrophobicContact CE2-CG 3.74Å; Y167-Y193 AromaticContact CZ-CD1 3.98Å; Y167-Y193 AromaticContact CZ-CD2 3.9Å; Y167-Y193 AromaticContact CZ-CG 3.57Å; Y167-Y193 WeakPolarHBondContact OH-CD2 3.47Å
168	G	96.7	Very high	97.8	Very high	40 Å²	40	31 Å²	31	41%	0.412	16%	0.155	S	C	.	.	H	α-helix	trans	-58.7	-42.4	-175	0	0	0	0	0	113.1	E166 L170 F171 E172	E166-G168 PolarHBondContact O-N 2.79Å; G168-L170 VanDerWaalsContact C-N 3.28Å; G168-L170 PolarHBondContact O-N 3.47Å; G168-F171 WeakPolarHBondContact O-CB 3.39Å; G168-F171 PolarHBondContact O-N 3.17Å; G168-F171 VanDerWaalsContact O-N 3.09Å; G168-E172 PolarHBondContact O-N 3.01Å
169	K	96.7	Very high	97.7	Very high	23 Å²	23	36.9 Å²	36.9	10%	0.1	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-34.4	177	-72	-175.1	167.6	164.2	0	113.6	I101 D111 I113 E166 Y167 L173	I101-K169 HydrophobicContact CG2-CB 3.78Å; I101-K169 HydrophobicContact CG2-CD 4.27Å; I101-K169 HydrophobicContact CG2-CG 3.67Å; D111-K169 WeakPolarHBondContact O-CD 3.46Å; D111-K169 PolarHBondContact O-NZ 3.26Å; D111-K169 IonicContact OD2-NZ 2.69Å; D111-K169 PolarHBondContact OD2-NZ 2.86Å; I113-K169 HydrophobicContact CD1-CB 4Å; I113-K169 HydrophobicContact CG1-CB 4.34Å; E166-K169 HydrophobicContact CB-CB 4.44Å; E166-K169 HydrophobicContact CB-CD 4.16Å; E166-K169 HydrophobicContact CB-CG 4.19Å; E166-K169 WeakPolarHBondContact OE1-CE 3.41Å; E166-K169 IonicContact OE1-NZ 3.71Å; E166-K169 PolarHBondContact OE1-NZ 2.66Å; Y167-K169 VanDerWaalsContact C-N 3.34Å; Y167-K169 PolarHBondContact O-N 2.95Å; K169-L173 WeakPolarHBondContact O-CB 3.33Å; K169-L173 PolarHBondContact O-N 2.81Å
170	L	97.9	Very high	97.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.8	-38.7	175	-65.6	174.9	0	0	0	111.5	H70 L72 I113 A162 C164 Y167 G168 L173 T174 Y193	H70-L170 HydrophobicContact CB-CD1 3.63Å; L72-L170 HydrophobicContact CB-CB 4.17Å; L72-L170 HydrophobicContact CB-CD1 4.49Å; L72-L170 HydrophobicContact CB-CD2 4.1Å; L72-L170 HydrophobicContact CB-CG 4.49Å; I113-L170 HydrophobicContact CG2-CD2 4.08Å; A162-L170 HydrophobicContact CB-CD2 3.86Å; C164-L170 HydrophobicContact CB-CD1 4.17Å; C164-L170 HydrophobicContact CB-CD2 3.91Å; C164-L170 HydrophobicContact CB-CG 3.82Å; Y167-L170 WeakPolarHBondContact O-CB 3.48Å; Y167-L170 PolarHBondContact O-N 3.05Å; Y167-L170 VanDerWaalsContact O-N 3.11Å; G168-L170 VanDerWaalsContact C-N 3.28Å; G168-L170 PolarHBondContact O-N 3.47Å; L170-L173 PolarHBondContact O-N 2.96Å; L170-T174 PolarHBondContact O-N 2.88Å; L170-T174 PolarHBondContact O-OG1 2.9Å; L170-Y193 HydrophobicContact CB-CD1 4.23Å; L170-Y193 HydrophobicContact CB-CE1 4.17Å
171	F	98.2	Very high	97.6	Very high	90 Å²	90	41.8 Å²	41.8	40%	0.395	21%	0.212	S	C	.	.	H	α-helix	trans	-67	-42.3	175.3	-174.5	-104.4	0	0	0	112	Y167 G168 L173 T174 Q175 Y193	Y167-F171 HydrophobicContact CE1-CB 4.43Å; Y167-F171 PolarHBondContact O-N 3.13Å; G168-F171 WeakPolarHBondContact O-CB 3.39Å; G168-F171 PolarHBondContact O-N 3.17Å; G168-F171 VanDerWaalsContact O-N 3.09Å; F171-L173 VanDerWaalsContact C-N 3.31Å; F171-L173 PolarHBondContact O-N 2.83Å; F171-T174 WeakPolarHBondContact O-CB 3.27Å; F171-T174 PolarHBondContact O-N 2.86Å; F171-Q175 PolarHBondContact O-N 2.79Å; F171-Y193 HydrophobicContact CB-CE1 4.27Å; F171-Y193 HydrophobicContact CD2-CE2 4.28Å; F171-Y193 AromaticContact CD2-CZ 3.84Å; F171-Y193 WeakPolarHBondContact CD2-OH 3.5Å
172	E	98.1	Very high	97.6	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-36.9	171.9	-71.9	179.6	-172.9	0	0	112.2	I101 G168 Q175 A176	I101-E172 HydrophobicContact CD1-CB 3.93Å; I101-E172 HydrophobicContact CG1-CB 4.09Å; I101-E172 HydrophobicContact CG2-CB 4.44Å; G168-E172 PolarHBondContact O-N 3.01Å; E172-Q175 PolarHBondContact O-N 2.98Å; E172-A176 WeakPolarHBondContact O-CB 3.42Å; E172-A176 PolarHBondContact O-N 3.27Å
173	L	98.4	Very high	97.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-42	174.3	-180	61.1	0	0	0	111.6	I94 V98 I101 I113 A162 K169 L170 F171 A176 I177	I94-L173 HydrophobicContact CG1-CD1 4.25Å; V98-L173 HydrophobicContact CG2-CD1 3.82Å; V98-L173 HydrophobicContact CG2-CD2 4.14Å; I101-L173 HydrophobicContact CD1-CB 3.9Å; I101-L173 HydrophobicContact CD1-CD1 4.35Å; I113-L173 HydrophobicContact CG2-CD2 3.96Å; A162-L173 HydrophobicContact CB-CD2 3.82Å; K169-L173 WeakPolarHBondContact O-CB 3.33Å; K169-L173 PolarHBondContact O-N 2.81Å; L170-L173 PolarHBondContact O-N 2.96Å; F171-L173 VanDerWaalsContact C-N 3.31Å; F171-L173 PolarHBondContact O-N 2.83Å; L173-A176 PolarHBondContact O-N 3.37Å; L173-I177 HydrophobicContact CD1-CD1 3.92Å; L173-I177 HydrophobicContact CD1-CG1 4.14Å; L173-I177 HydrophobicContact CG-CD1 3.83Å; L173-I177 HydrophobicContact CG-CG1 4.47Å; L173-I177 WeakPolarHBondContact O-CB 3.49Å; L173-I177 VanDerWaalsContact O-CG1 3.29Å; L173-I177 WeakPolarHBondContact O-CG1 3.38Å; L173-I177 PolarHBondContact O-N 2.92Å
174	T	98.5	Very high	97.5	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-48.5	172.1	-59.4	0	0	0	0	111.1	L72 L74 L170 F171 A176 I177 I178 D191 Y193	L72-T174 VanDerWaalsContact CD1-OG1 3.3Å; L72-T174 WeakPolarHBondContact CD1-OG1 3.4Å; L72-T174 VanDerWaalsContact CD2-OG1 3.29Å; L72-T174 WeakPolarHBondContact CD2-OG1 3.2Å; L74-T174 HydrophobicContact CD1-CG2 4.4Å; L74-T174 HydrophobicContact CD2-CG2 4.23Å; L170-T174 PolarHBondContact O-N 2.88Å; L170-T174 PolarHBondContact O-OG1 2.9Å; F171-T174 WeakPolarHBondContact O-CB 3.27Å; F171-T174 PolarHBondContact O-N 2.86Å; T174-A176 PolarHBondContact O-N 3.41Å; T174-I177 PolarHBondContact O-N 2.9Å; T174-I178 HydrophobicContact CG2-CG1 4.31Å; T174-I178 WeakPolarHBondContact O-CG1 3.13Å; T174-I178 PolarHBondContact O-N 3.15Å; T174-D191 HydrophobicContact CG2-CB 3.85Å; T174-Y193 WeakPolarHBondContact CB-OH 3.38Å; T174-Y193 PolarHBondContact OG1-OH 2.96Å
175	Q	98.4	Very high	97.6	Very high	89 Å²	89	53.1 Å²	53.1	42%	0.416	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-47.2	177.1	-68.4	-175.2	5.4	0	0	111.9	F171 E172 I177 I178 N179	F171-Q175 PolarHBondContact O-N 2.79Å; E172-Q175 PolarHBondContact O-N 2.98Å; Q175-I177 VanDerWaalsContact C-N 3.35Å; Q175-I177 PolarHBondContact O-N 2.87Å; Q175-I178 PolarHBondContact O-N 2.87Å; Q175-N179 WeakPolarHBondContact O-CB 3.28Å; Q175-N179 PolarHBondContact O-N 3.3Å; Q175-N179 PolarHBondContact O-ND2 2.88Å
176	A	98.4	Very high	97.7	Very high	22 Å²	22	52.3 Å²	52.3	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-41.5	-179.7	0	0	0	0	0	112	Y97 E172 L173 T174 N180	Y97-A176 HydrophobicContact CD1-CB 4.25Å; Y97-A176 HydrophobicContact CD2-CB 4.4Å; Y97-A176 HydrophobicContact CG-CB 3.91Å; E172-A176 WeakPolarHBondContact O-CB 3.42Å; E172-A176 PolarHBondContact O-N 3.27Å; L173-A176 PolarHBondContact O-N 3.37Å; T174-A176 PolarHBondContact O-N 3.41Å; A176-N180 WeakPolarHBondContact O-CB 3.15Å; A176-N180 PolarHBondContact O-N 3.06Å; A176-N180 PolarHBondContact O-ND2 3.02Å
177	I	98.5	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-54.6	176.3	-71.2	166.9	0	0	0	111	L74 I76 I91 I94 Y97 I160 L173 T174 Q175 N180 L181	L74-I177 HydrophobicContact CD2-CB 4.33Å; L74-I177 HydrophobicContact CD2-CD1 4.16Å; L74-I177 HydrophobicContact CD2-CG2 3.98Å; I76-I177 HydrophobicContact CD1-CG2 4Å; I91-I177 HydrophobicContact CD1-CG2 3.66Å; I94-I177 HydrophobicContact CD1-CD1 3.95Å; I94-I177 HydrophobicContact CG1-CD1 4.41Å; Y97-I177 HydrophobicContact CD2-CG1 4.04Å; Y97-I177 HydrophobicContact CE2-CG1 4.47Å; I160-I177 HydrophobicContact CD1-CD1 4.3Å; I160-I177 HydrophobicContact CD1-CG2 4.37Å; I160-I177 HydrophobicContact CG1-CD1 4.12Å; I160-I177 HydrophobicContact CG2-CD1 4.28Å; L173-I177 HydrophobicContact CD1-CD1 3.92Å; L173-I177 HydrophobicContact CD1-CG1 4.14Å; L173-I177 HydrophobicContact CG-CD1 3.83Å; L173-I177 HydrophobicContact CG-CG1 4.47Å; L173-I177 WeakPolarHBondContact O-CB 3.49Å; L173-I177 VanDerWaalsContact O-CG1 3.29Å; L173-I177 WeakPolarHBondContact O-CG1 3.38Å; L173-I177 PolarHBondContact O-N 2.92Å; T174-I177 PolarHBondContact O-N 2.9Å; Q175-I177 VanDerWaalsContact C-N 3.35Å; Q175-I177 PolarHBondContact O-N 2.87Å; I177-N180 PolarHBondContact O-N 2.8Å; I177-L181 PolarHBondContact O-N 3.23Å
178	I	98.4	Very high	98	Very high	30 Å²	30	53.2 Å²	53.2	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-42.4	-173.8	-64.5	-59.9	0	0	0	111.6	L74 I76 T174 Q175 N180 L181 F189	L74-I178 HydrophobicContact CD1-CD1 4.39Å; I76-I178 HydrophobicContact CD1-CD1 4.15Å; I76-I178 HydrophobicContact CG1-CD1 4.17Å; T174-I178 HydrophobicContact CG2-CG1 4.31Å; T174-I178 WeakPolarHBondContact O-CG1 3.13Å; T174-I178 PolarHBondContact O-N 3.15Å; Q175-I178 PolarHBondContact O-N 2.87Å; I178-N180 VanDerWaalsContact C-N 3.26Å; I178-N180 PolarHBondContact O-N 2.83Å; I178-L181 HydrophobicContact CD1-CD1 4.29Å; I178-L181 PolarHBondContact O-N 2.89Å; I178-F189 HydrophobicContact CD1-CB 4.03Å; I178-F189 HydrophobicContact CD1-CD1 3.75Å; I178-F189 HydrophobicContact CD1-CD2 4.09Å; I178-F189 HydrophobicContact CD1-CE1 4.22Å; I178-F189 HydrophobicContact CD1-CG 3.68Å; I178-F189 HydrophobicContact CG1-CD1 4.22Å; I178-F189 HydrophobicContact CG1-CD2 4.23Å; I178-F189 HydrophobicContact CG1-CE1 4.19Å; I178-F189 HydrophobicContact CG1-CE2 4.2Å; I178-F189 HydrophobicContact CG1-CG 4.24Å; I178-F189 HydrophobicContact CG1-CZ 4.18Å; I178-F189 HydrophobicContact CG2-CD1 4.26Å; I178-F189 HydrophobicContact CG2-CE1 3.78Å; I178-F189 HydrophobicContact CG2-CZ 4.21Å
179	N	97.9	Very high	98	Very high	125 Å²	125	55.4 Å²	55.4	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-72.4	-14.6	-177.1	-66.4	-21.6	0	0	0	114.1	Q175	Q175-N179 WeakPolarHBondContact O-CB 3.28Å; Q175-N179 PolarHBondContact O-N 3.3Å; Q175-N179 PolarHBondContact O-ND2 2.88Å
180	N	98	Very high	98.1	Very high	88 Å²	88	57.4 Å²	57.4	47%	0.471	32%	0.321	S	S	.	.	H	α-helix	trans	-103.1	-9.6	177.6	-75.2	-96.6	0	0	0	113.8	S90 Y97 A176 I177 I178	S90-N180 VanDerWaalsContact OG-C 3.27Å; S90-N180 PolarHBondContact OG-O 2.99Å; Y97-N180 HydrophobicContact CE1-CB 4.12Å; Y97-N180 HydrophobicContact CE2-CB 4.48Å; Y97-N180 WeakPolarHBondContact OH-CB 3.43Å; A176-N180 WeakPolarHBondContact O-CB 3.15Å; A176-N180 PolarHBondContact O-N 3.06Å; A176-N180 PolarHBondContact O-ND2 3.02Å; I177-N180 PolarHBondContact O-N 2.8Å; I178-N180 VanDerWaalsContact C-N 3.26Å; I178-N180 PolarHBondContact O-N 2.83Å
181	L	98.2	Very high	98.1	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.073	33%	0.334	C	S	.	.	S	Bend	trans	-61.8	149.4	169.5	-78.9	166.6	0	0	0	110.5	I76 C87 I91 I177 I178 S183 V186	I76-L181 HydrophobicContact CD1-CD1 4.13Å; I76-L181 HydrophobicContact CG2-CD1 4.33Å; C87-L181 HydrophobicContact CB-CD2 4.12Å; I91-L181 HydrophobicContact CD1-CD2 4.09Å; I91-L181 HydrophobicContact CD1-CG 4.47Å; I91-L181 HydrophobicContact CG1-CD2 4.11Å; I177-L181 PolarHBondContact O-N 3.23Å; I178-L181 HydrophobicContact CD1-CD1 4.29Å; I178-L181 PolarHBondContact O-N 2.89Å; L181-S183 PolarHBondContact O-N 2.88Å; L181-V186 HydrophobicContact CB-CG2 4.25Å; L181-V186 HydrophobicContact CD1-CG2 3.59Å
182	P	97.9	Very high	98.1	Very high	41 Å²	41	56.2 Å²	56.2	27%	0.266	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-54.9	138.3	-179.2	-23.6	32.1	0	0	0	111.8	E86 G184 S185	E86-P182 HydrophobicContact CB-CG 3.91Å; P182-G184 PolarHBondContact O-N 2.82Å; P182-S185 WeakPolarHBondContact CD-OG 3.35Å; P182-S185 WeakPolarHBondContact O-CB 3.36Å; P182-S185 PolarHBondContact O-N 3Å; P182-S185 PolarHBondContact O-OG 3.4Å
183	S	97.1	Very high	98.1	Very high	134 Å²	134	52.7 Å²	52.7	94%	0.937	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	129.1	-177.2	-173.3	0	0	0	0	111.3	L181 S185	L181-S183 PolarHBondContact O-N 2.88Å; S183-S185 VanDerWaalsContact C-N 3.27Å; S183-S185 PolarHBondContact O-N 3.45Å
184	G	97	Very high	98.1	Very high	63 Å²	63	52.7 Å²	52.7	65%	0.649	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	0.3	-176	0	0	0	0	0	115.6	P182 V186	P182-G184 PolarHBondContact O-N 2.82Å; G184-V186 VanDerWaalsContact C-N 3.3Å; G184-V186 PolarHBondContact O-N 3.39Å
185	S	98.3	Very high	98.1	Very high	5 Å²	5	56.1 Å²	56.1	4%	0.035	31%	0.313	C	S	.	.			trans	-74.9	-12.7	-178.9	64	0	0	0	0	115.3	L78 D79 P182 S183	L78-S185 CarbonylContact C-O 3.57Å; L78-S185 WeakPolarHBondContact CA-O 3.49Å; L78-S185 WeakPolarHBondContact CB-O 3.18Å; L78-S185 WeakPolarHBondContact CD2-O 3.18Å; D79-S185 PolarHBondContact N-O 2.89Å; P182-S185 WeakPolarHBondContact CD-OG 3.35Å; P182-S185 WeakPolarHBondContact O-CB 3.36Å; P182-S185 PolarHBondContact O-N 3Å; P182-S185 PolarHBondContact O-OG 3.4Å; S183-S185 VanDerWaalsContact C-N 3.27Å; S183-S185 PolarHBondContact O-N 3.45Å
186	V	98.4	Very high	98	Very high	38 Å²	38	54.8 Å²	54.8	23%	0.23	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115	-175.5	179.8	0	0	0	0	109.7	I76 L78 L181 G184 K188 F189	I76-V186 HydrophobicContact CG2-CG1 4.19Å; I76-V186 HydrophobicContact CG2-CG2 4.09Å; L78-V186 HydrophobicContact CD2-CG2 4.26Å; L181-V186 HydrophobicContact CB-CG2 4.25Å; L181-V186 HydrophobicContact CD1-CG2 3.59Å; G184-V186 VanDerWaalsContact C-N 3.3Å; G184-V186 PolarHBondContact O-N 3.39Å; V186-K188 WeakPolarHBondContact CG1-O 3.47Å; V186-F189 HydrophobicContact CG1-CB 4.37Å; V186-F189 HydrophobicContact CG1-CD1 4.12Å
187	T	98	Very high	98	Very high	91 Å²	91	57.1 Å²	57.1	56%	0.558	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	-39.4	172.8	-54.3	0	0	0	0	111.3	H77 D79	H77-T187 PolarHBondContact O-N 3.34Å; D79-T187 VanDerWaalsContact CA-OG1 3.25Å; D79-T187 WeakPolarHBondContact CA-OG1 3.44Å; D79-T187 PolarHBondContact N-OG1 2.99Å
188	K	98.1	Very high	97.8	Very high	121 Å²	121	65.7 Å²	65.7	53%	0.526	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	156.8	173.2	60	171.3	-179.5	159.7	0	110.8	H77 V186	H77-K188 HydrophobicContact CB-CG 3.81Å; H77-K188 WeakPolarHBondContact CD2-CE 3.47Å; H77-K188 PolarHBondContact N-O 3.47Å; H77-K188 PolarHBondContact O-N 2.69Å; V186-K188 WeakPolarHBondContact CG1-O 3.47Å
189	F	98.2	Very high	97.4	Very high	87 Å²	87	68.9 Å²	68.9	38%	0.382	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163.6	163.8	66.6	-87.4	0	0	0	109.8	L74 T75 I76 I178 V186	L74-F189 HydrophobicContact CD1-CB 4.1Å; L74-F189 HydrophobicContact CD1-CD2 3.82Å; L74-F189 HydrophobicContact CD1-CG 4.34Å; T75-F189 CarbonylContact O-C 3.44Å; T75-F189 WeakPolarHBondContact O-CA 3.44Å; T75-F189 WeakPolarHBondContact O-CB 3.41Å; I76-F189 HydrophobicContact CG1-CB 4.16Å; I178-F189 HydrophobicContact CD1-CB 4.03Å; I178-F189 HydrophobicContact CD1-CD1 3.75Å; I178-F189 HydrophobicContact CD1-CD2 4.09Å; I178-F189 HydrophobicContact CD1-CE1 4.22Å; I178-F189 HydrophobicContact CD1-CG 3.68Å; I178-F189 HydrophobicContact CG1-CD1 4.22Å; I178-F189 HydrophobicContact CG1-CD2 4.23Å; I178-F189 HydrophobicContact CG1-CE1 4.19Å; I178-F189 HydrophobicContact CG1-CE2 4.2Å; I178-F189 HydrophobicContact CG1-CG 4.24Å; I178-F189 HydrophobicContact CG1-CZ 4.18Å; I178-F189 HydrophobicContact CG2-CD1 4.26Å; I178-F189 HydrophobicContact CG2-CE1 3.78Å; I178-F189 HydrophobicContact CG2-CZ 4.21Å; V186-F189 HydrophobicContact CG1-CB 4.37Å; V186-F189 HydrophobicContact CG1-CD1 4.12Å
190	E	98.2	Very high	97.2	Very high	65 Å²	65	64.4 Å²	64.4	30%	0.304	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.5	171.2	-177.7	179.7	-131.6	0	0	108	L74 T75 I192 K237	L74-E190 WeakPolarHBondContact CA-O 3.44Å; T75-E190 PolarHBondContact N-O 3.44Å; T75-E190 PolarHBondContact O-N 3.14Å; E190-I192 HydrophobicContact CG-CD1 4.13Å; E190-I192 HydrophobicContact CG-CG1 3.99Å; E190-K237 IonicContact OE1-NZ 3.77Å; E190-K237 PolarHBondContact OE1-NZ 2.99Å
191	D	98	Very high	97.2	Very high	52 Å²	52	62 Å²	62	28%	0.278	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	109.5	172.5	59	-39.7	0	0	0	110.7	L72 L74 T174 Y193	L72-D191 HydrophobicContact CD1-CB 4.1Å; L74-D191 HydrophobicContact CD1-CB 4.15Å; T174-D191 HydrophobicContact CG2-CB 3.85Å; D191-Y193 HydrophobicContact CB-CE2 3.96Å; D191-Y193 WeakPolarHBondContact OD2-CE2 3.35Å; D191-Y193 VanDerWaalsContact OD2-CZ 3.31Å; D191-Y193 PolarHBondContact OD2-OH 3.42Å
192	I	98.4	Very high	97.2	Very high	13 Å²	13	62 Å²	62	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.8	174.4	-66	172.8	0	0	0	109	Y73 E190 K237 Y300 L310	Y73-I192 HydrophobicContact CD2-CG2 4.36Å; Y73-I192 WeakPolarHBondContact CD2-O 3.05Å; Y73-I192 PolarHBondContact N-O 3.43Å; Y73-I192 PolarHBondContact O-N 3.32Å; E190-I192 HydrophobicContact CG-CD1 4.13Å; E190-I192 HydrophobicContact CG-CG1 3.99Å; I192-K237 HydrophobicContact CD1-CD 3.68Å; I192-K237 HydrophobicContact CD1-CG 4.17Å; I192-Y300 HydrophobicContact CG2-CD2 3.69Å; I192-Y300 HydrophobicContact CG2-CG 3.65Å; I192-L310 HydrophobicContact CD1-CD1 3.65Å; I192-L310 HydrophobicContact CG2-CD1 4.31Å
193	Y	98.4	Very high	97.2	Very high	23 Å²	23	61.5 Å²	61.5	9%	0.09	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.8	175.3	-54.7	-91.5	0	0	0	109.8	A71 L72 Y167 L170 F171 T174 D191	A71-Y193 CarbonylContact O-C 3.58Å; A71-Y193 VanDerWaalsContact O-CA 3.28Å; A71-Y193 WeakPolarHBondContact O-CA 3.2Å; L72-Y193 HydrophobicContact CD1-CD1 4.11Å; L72-Y193 HydrophobicContact CD1-CE1 3.6Å; Y167-Y193 HydrophobicContact CE1-CD1 4.4Å; Y167-Y193 HydrophobicContact CE1-CG 4.38Å; Y167-Y193 HydrophobicContact CE2-CD1 4.17Å; Y167-Y193 HydrophobicContact CE2-CD2 4.43Å; Y167-Y193 AromaticContact CE2-CG 3.74Å; Y167-Y193 HydrophobicContact CE2-CG 3.74Å; Y167-Y193 AromaticContact CZ-CD1 3.98Å; Y167-Y193 AromaticContact CZ-CD2 3.9Å; Y167-Y193 AromaticContact CZ-CG 3.57Å; Y167-Y193 WeakPolarHBondContact OH-CD2 3.47Å; L170-Y193 HydrophobicContact CB-CD1 4.23Å; L170-Y193 HydrophobicContact CB-CE1 4.17Å; F171-Y193 HydrophobicContact CB-CE1 4.27Å; F171-Y193 HydrophobicContact CD2-CE2 4.28Å; F171-Y193 AromaticContact CD2-CZ 3.84Å; F171-Y193 WeakPolarHBondContact CD2-OH 3.5Å; T174-Y193 WeakPolarHBondContact CB-OH 3.38Å; T174-Y193 PolarHBondContact OG1-OH 2.96Å; D191-Y193 HydrophobicContact CB-CE2 3.96Å; D191-Y193 WeakPolarHBondContact OD2-CE2 3.35Å; D191-Y193 VanDerWaalsContact OD2-CZ 3.31Å; D191-Y193 PolarHBondContact OD2-OH 3.42Å
194	G	98.2	Very high	97.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	163.7	174.3	0	0	0	0	0	112.9	H70 A71 Q298 P299	H70-G194 WeakPolarHBondContact CA-O 3.3Å; H70-G194 PolarHBondContact ND1-O 2.72Å; A71-G194 PolarHBondContact N-O 3.49Å; A71-G194 PolarHBondContact O-N 3.39Å; G194-Q298 PolarHBondContact O-OE1 3.04Å; G194-P299 CarbonylContact C-O 3.5Å; G194-P299 WeakPolarHBondContact CA-O 3.37Å
195	W	98	Very high	97.1	Very high	77 Å²	77	53.6 Å²	53.6	29%	0.292	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.8	167.2	69.9	91.5	0	0	0	112.7	S69 Y197 L203 P299 Y300	S69-W195 CarbonylContact O-C 3.4Å; S69-W195 VanDerWaalsContact O-CA 3.31Å; S69-W195 WeakPolarHBondContact O-CA 3.46Å; W195-Y197 AromaticContact NE1-CD2 3.94Å; W195-Y197 PolarHBondContact O-N 3.43Å; W195-L203 HydrophobicContact CZ2-CD2 4.13Å; W195-P299 HydrophobicContact CD2-CB 4.35Å; W195-P299 HydrophobicContact CZ2-CB 4.04Å; W195-P299 PolarHBondContact N-O 2.87Å; W195-P299 WeakPolarHBondContact O-CD 3.26Å; W195-Y300 VanDerWaalsContact CZ3-C 3.47Å
196	V	97	Very high	97.1	Very high	62 Å²	62	53.9 Å²	53.9	38%	0.376	27%	0.267	S	S	.	.			trans	-71.9	109.3	168.1	178.5	0	0	0	0	109.5	K68 S69	K68-V196 WeakPolarHBondContact O-CG2 3.24Å; S69-V196 PolarHBondContact O-N 3.04Å
197	Y	96.9	Very high	97	Very high	71 Å²	71	54.2 Å²	54.2	28%	0.278	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-89.4	122.7	176.7	178.9	-119	0	0	0	111.3	W195 N199 G200 R201 L203	W195-Y197 AromaticContact NE1-CD2 3.94Å; W195-Y197 PolarHBondContact O-N 3.43Å; Y197-N199 PolarHBondContact O-N 3.21Å; Y197-G200 PolarHBondContact O-N 2.82Å; Y197-R201 WeakPolarHBondContact CB-O 3.46Å; Y197-R201 HydrophobicContact CD1-CB 4.11Å; Y197-R201 PolarHBondContact O-N 2.94Å; Y197-L203 HydrophobicContact CD1-CD2 3.88Å; Y197-L203 HydrophobicContact CD2-CD2 4.33Å; Y197-L203 HydrophobicContact CE1-CD2 4.12Å; Y197-L203 HydrophobicContact CG-CD2 3.99Å
198	R	94.5	Very high	96.8	Very high	180 Å²	180	51.9 Å²	51.9	68%	0.679	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	-132.1	-177.5	-58.3	177.3	176.9	-101.5	0.4	110.6	G200	R198-G200 VanDerWaalsContact C-N 3.32Å; R198-G200 PolarHBondContact O-N 2.94Å
199	N	91.6	Very high	96.5	Very high	96 Å²	96	47.2 Å²	47.2	51%	0.513	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	52.8	-179.8	65.4	-66.7	0	0	0	112.2	Y197 R201 I207	Y197-N199 PolarHBondContact O-N 3.21Å; N199-R201 WeakPolarHBondContact OD1-CD 3.37Å; N199-R201 PolarHBondContact OD1-NE 3.08Å; N199-I207 WeakPolarHBondContact ND2-CD1 3.35Å
200	G	93.7	Very high	96.1	Very high	32 Å²	32	45.8 Å²	45.8	33%	0.33	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	40.1	-177.1	0	0	0	0	0	113.4	Y197 R198 D208	Y197-G200 PolarHBondContact O-N 2.82Å; R198-G200 VanDerWaalsContact C-N 3.32Å; R198-G200 PolarHBondContact O-N 2.94Å; G200-D208 PolarHBondContact O-N 3.33Å
201	R	97.4	Very high	95.8	Very high	38 Å²	38	48.2 Å²	48.2	14%	0.143	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-97.4	149.7	178.8	-69.2	179.7	-175.4	-91.2	-4	111.9	Y197 N199 G205 F206 I207 L261 K262 P299	Y197-R201 WeakPolarHBondContact CB-O 3.46Å; Y197-R201 HydrophobicContact CD1-CB 4.11Å; Y197-R201 PolarHBondContact O-N 2.94Å; N199-R201 WeakPolarHBondContact OD1-CD 3.37Å; N199-R201 PolarHBondContact OD1-NE 3.08Å; R201-G205 WeakPolarHBondContact CD-O 3.38Å; R201-G205 PolarHBondContact NH1-O 3.33Å; R201-F206 CarbonylContact C-O 3.58Å; R201-F206 WeakPolarHBondContact CA-O 3.32Å; R201-F206 WeakPolarHBondContact CB-O 3.5Å; R201-I207 HydrophobicContact CG-CG1 3.9Å; R201-L261 PolarHBondContact NH1-O 2.86Å; R201-K262 PolarHBondContact NH2-O 2.9Å; R201-P299 WeakPolarHBondContact O-CG 3.15Å
202	D	97.4	Very high	95.5	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.07	24%	0.243	C	C	.	.			trans	-74.8	165.1	160.6	171.4	51.8	0	0	0	110.9	S204 G205 F206 D208 H240	D202-S204 PolarHBondContact O-N 3.1Å; D202-S204 WeakPolarHBondContact OD2-CB 3.19Å; D202-S204 PolarHBondContact OD2-N 2.9Å; D202-S204 PolarHBondContact OD2-OG 3.04Å; D202-G205 WeakPolarHBondContact O-CA 3.15Å; D202-G205 PolarHBondContact O-N 3.26Å; D202-F206 PolarHBondContact N-O 2.95Å; D202-D208 HydrophobicContact CB-CB 4.46Å; D202-H240 IonicContact OD1-CD2 3.68Å; D202-H240 IonicContact OD1-NE2 2.73Å; D202-H240 PolarHBondContact OD1-NE2 3.23Å; D202-H240 IonicContact OD2-CD2 2.89Å; D202-H240 IonicContact OD2-NE2 2.77Å; D202-H240 PolarHBondContact OD2-NE2 3.26Å
203	L	97.6	Very high	95.3	Very high	31 Å²	31	47 Å²	47	16%	0.162	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.8	176.4	-59.4	-175.8	0	0	0	113.6	W195 Y197 G205 M242 P299 A307	W195-L203 HydrophobicContact CZ2-CD2 4.13Å; Y197-L203 HydrophobicContact CD1-CD2 3.88Å; Y197-L203 HydrophobicContact CD2-CD2 4.33Å; Y197-L203 HydrophobicContact CE1-CD2 4.12Å; Y197-L203 HydrophobicContact CG-CD2 3.99Å; L203-G205 PolarHBondContact O-N 3.05Å; L203-M242 HydrophobicContact CB-CE 3.82Å; L203-M242 HydrophobicContact CB-SD 4.41Å; L203-M242 HydrophobicContact CD1-CE 3.64Å; L203-M242 HydrophobicContact CG-CE 4.38Å; L203-P299 HydrophobicContact CD1-CB 4.34Å; L203-P299 HydrophobicContact CD2-CB 3.91Å; L203-P299 HydrophobicContact CD2-CG 4.32Å; L203-P299 HydrophobicContact CG-CB 3.87Å; L203-P299 HydrophobicContact CG-CG 4.28Å; L203-A307 HydrophobicContact CD1-CB 4.09Å
204	S	96.8	Very high	94.9	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.063	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.6	163.6	65.2	0	0	0	0	113.8	D202	D202-S204 PolarHBondContact O-N 3.1Å; D202-S204 WeakPolarHBondContact OD2-CB 3.19Å; D202-S204 PolarHBondContact OD2-N 2.9Å; D202-S204 PolarHBondContact OD2-OG 3.04Å
205	G	96.9	Very high	94.6	Very high	21 Å²	21	53.4 Å²	53.4	22%	0.216	29%	0.288	C	S	.	.	S	Bend	trans	93.8	-4.8	-178.5	0	0	0	0	0	114.7	R201 D202 L203 L261	R201-G205 WeakPolarHBondContact CD-O 3.38Å; R201-G205 PolarHBondContact NH1-O 3.33Å; D202-G205 WeakPolarHBondContact O-CA 3.15Å; D202-G205 PolarHBondContact O-N 3.26Å; L203-G205 PolarHBondContact O-N 3.05Å; G205-L261 VanDerWaalsContact C-CD1 3.5Å; G205-L261 WeakPolarHBondContact O-CD1 3.22Å
206	F	97.8	Very high	94.2	Very high	12 Å²	12	54 Å²	54	5%	0.053	30%	0.302	C	S	.	.	S	Bend	trans	-78.5	154.9	173.7	-70.1	-92.7	0	0	0	111.6	R201 D202 D208 K253 E254 I257 R259 L261	R201-F206 CarbonylContact C-O 3.58Å; R201-F206 WeakPolarHBondContact CA-O 3.32Å; R201-F206 WeakPolarHBondContact CB-O 3.5Å; D202-F206 PolarHBondContact N-O 2.95Å; F206-D208 PolarHBondContact O-N 3.19Å; F206-K253 HydrophobicContact CE2-CB 3.85Å; F206-K253 HydrophobicContact CZ-CB 3.82Å; F206-E254 HydrophobicContact CE1-CG 4.12Å; F206-E254 HydrophobicContact CZ-CG 4.17Å; F206-I257 HydrophobicContact CD1-CB 4.16Å; F206-I257 HydrophobicContact CD1-CG1 4.04Å; F206-I257 HydrophobicContact CD1-CG2 3.91Å; F206-I257 HydrophobicContact CD2-CG1 3.79Å; F206-I257 HydrophobicContact CE1-CB 3.99Å; F206-I257 HydrophobicContact CE1-CG1 3.95Å; F206-I257 HydrophobicContact CE1-CG2 4.2Å; F206-I257 HydrophobicContact CE2-CG1 3.68Å; F206-I257 HydrophobicContact CG-CG1 3.97Å; F206-I257 HydrophobicContact CG-CG2 4.31Å; F206-I257 HydrophobicContact CZ-CB 4.23Å; F206-I257 HydrophobicContact CZ-CG1 3.78Å; F206-R259 WeakPolarHBondContact CE1-O 3.49Å; F206-L261 HydrophobicContact CD1-CB 4.46Å; F206-L261 HydrophobicContact CD1-CD1 4.01Å; F206-L261 HydrophobicContact CD2-CD1 3.65Å; F206-L261 HydrophobicContact CE1-CB 3.88Å; F206-L261 HydrophobicContact CE1-CD1 3.95Å; F206-L261 HydrophobicContact CE2-CD1 3.58Å; F206-L261 HydrophobicContact CG-CD1 3.87Å; F206-L261 HydrophobicContact CZ-CB 4.03Å; F206-L261 HydrophobicContact CZ-CD1 3.73Å; F206-L261 HydrophobicContact CZ-CG 4.46Å
207	I	96.8	Very high	94	Very high	44 Å²	44	57.5 Å²	57.5	23%	0.226	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-77.1	117.3	172.9	-60.3	179	0	0	0	108.5	N199 R201 T210	N199-I207 WeakPolarHBondContact ND2-CD1 3.35Å; R201-I207 HydrophobicContact CG-CG1 3.9Å; I207-T210 WeakPolarHBondContact CG2-OG1 3.31Å; I207-T210 PolarHBondContact O-OG1 2.76Å
208	D	94	Very high	93.9	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.23	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	154.2	173.1	-166.4	12.9	0	0	0	109.9	G200 D202 F206 T210 R295 S297	G200-D208 PolarHBondContact O-N 3.33Å; D202-D208 HydrophobicContact CB-CB 4.46Å; F206-D208 PolarHBondContact O-N 3.19Å; D208-T210 VanDerWaalsContact C-N 3.31Å; D208-T210 PolarHBondContact O-N 2.69Å; D208-R295 IonicContact OD1-CZ 2.72Å; D208-R295 IonicContact OD1-NH1 3.97Å; D208-R295 PolarHBondContact OD1-NH1 2.81Å; D208-S297 WeakPolarHBondContact OD2-CB 3.41Å
209	G	91	Very high	94	Very high	22 Å²	22	48 Å²	48	23%	0.227	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	3.3	-178.9	0	0	0	0	0	116.1	E211 N212	G209-E211 PolarHBondContact O-N 2.88Å; G209-E211 VanDerWaalsContact O-N 3.11Å; G209-N212 VanDerWaalsContact O-CB 3.31Å; G209-N212 WeakPolarHBondContact O-CB 3.31Å; G209-N212 PolarHBondContact O-N 2.91Å
210	T	90.1	Very high	94.2	Very high	57 Å²	57	45.1 Å²	45.1	35%	0.35	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-39.9	-177.7	-52.7	0	0	0	0	113.5	I207 D208 S264	I207-T210 WeakPolarHBondContact CG2-OG1 3.31Å; I207-T210 PolarHBondContact O-OG1 2.76Å; D208-T210 VanDerWaalsContact C-N 3.31Å; D208-T210 PolarHBondContact O-N 2.69Å; T210-S264 PolarHBondContact OG1-OG 3.5Å
211	E	90.9	Very high	94.3	Very high	117 Å²	117	51.4 Å²	51.4	55%	0.547	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	26.7	-180	-54.4	-59	152.4	0	0	112.6	G209 R259	G209-E211 PolarHBondContact O-N 2.88Å; G209-E211 VanDerWaalsContact O-N 3.11Å; E211-R259 IonicContact OE1-CZ 3.13Å; E211-R259 IonicContact OE1-NH1 3.55Å; E211-R259 PolarHBondContact OE1-NH1 2.79Å; E211-R259 IonicContact OE1-NH2 3.48Å; E211-R259 PolarHBondContact OE1-NH2 2.78Å
212	N	93.1	Very high	94.3	Very high	34 Å²	34	50.3 Å²	50.3	18%	0.182	29%	0.292	C	S	.	.	S	Bend	trans	-75.5	149	171.3	-85.3	-9	0	0	0	110.8	G209 A214 R295	G209-N212 VanDerWaalsContact O-CB 3.31Å; G209-N212 WeakPolarHBondContact O-CB 3.31Å; G209-N212 PolarHBondContact O-N 2.91Å; N212-A214 PolarHBondContact O-N 3.04Å; N212-R295 PolarHBondContact ND2-O 3.44Å; N212-R295 WeakPolarHBondContact OD1-CB 3.35Å; N212-R295 PolarHBondContact OD1-N 3.11Å; N212-R295 PolarHBondContact OD1-NE 2.95Å; N212-R295 PolarHBondContact OD1-NH2 2.84Å
213	P	93.7	Very high	94.3	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.026	29%	0.288	C	S	.	.			trans	-52.4	125.4	164.5	-28.4	37.8	0	0	0	111.5	E218 R219 V222 I293 V294	P213-E218 WeakPolarHBondContact CA-OE2 3.44Å; P213-E218 HydrophobicContact CB-CB 4.13Å; P213-E218 HydrophobicContact CB-CG 3.85Å; P213-E218 WeakPolarHBondContact CB-OE2 3.33Å; P213-E218 HydrophobicContact CG-CG 4.47Å; P213-R219 HydrophobicContact CB-CB 4.49Å; P213-R219 HydrophobicContact CB-CG 3.72Å; P213-R219 WeakPolarHBondContact O-CD 3.23Å; P213-R219 WeakPolarHBondContact O-CG 3.45Å; P213-R219 PolarHBondContact O-NH1 2.9Å; P213-V222 HydrophobicContact CG-CB 4.29Å; P213-V222 HydrophobicContact CG-CG1 4.41Å; P213-V222 HydrophobicContact CG-CG2 3.93Å; P213-I293 WeakPolarHBondContact CD-O 3.42Å; P213-V294 HydrophobicContact CB-CG2 4.45Å; P213-V294 HydrophobicContact CG-CG2 4.12Å
214	A	89.3	Confident	94.3	Very high	82 Å²	82	49 Å²	49	68%	0.678	28%	0.284	S	S	*	.			trans	-101	-28.7	-163.6	0	0	0	0	0	113.8	N212 E218	N212-A214 PolarHBondContact O-N 3.04Å; A214-E218 PolarHBondContact N-OE2 3.36Å
215	D	91.6	Very high	94.3	Very high	76 Å²	76	49.2 Å²	49.2	41%	0.406	29%	0.285	S	S	.	.	S	Bend	trans	-99.7	152.8	174.1	72.1	78.1	0	0	0	111.9	D217 E218 R219	D215-D217 VanDerWaalsContact C-N 3.25Å; D215-D217 PolarHBondContact O-N 2.82Å; D215-D217 WeakPolarHBondContact OD1-CB 3.49Å; D215-D217 PolarHBondContact OD1-N 2.97Å; D215-E218 PolarHBondContact O-N 2.83Å; D215-E218 PolarHBondContact OD1-N 2.82Å; D215-R219 VanDerWaalsContact O-CG 3.23Å; D215-R219 WeakPolarHBondContact O-CG 3.31Å; D215-R219 PolarHBondContact O-N 3.01Å
216	P	90.9	Very high	94.1	Very high	91 Å²	91	54 Å²	54	59%	0.591	31%	0.31	S	S	*	.	H	α-helix	trans	-61	-28.7	-177	-26.5	36.3	0	0	0	115	A220	P216-A220 WeakPolarHBondContact O-CB 3.48Å; P216-A220 PolarHBondContact O-N 2.89Å
217	D	92.8	Very high	94	Very high	134 Å²	134	60.7 Å²	60.7	72%	0.717	34%	0.339	S	S	*	.	H	α-helix	trans	-76.8	-43.4	-177.5	-68.6	-23.7	0	0	0	110.1	D215 R219 A220 E221	D215-D217 VanDerWaalsContact C-N 3.25Å; D215-D217 PolarHBondContact O-N 2.82Å; D215-D217 WeakPolarHBondContact OD1-CB 3.49Å; D215-D217 PolarHBondContact OD1-N 2.97Å; D217-R219 VanDerWaalsContact C-N 3.35Å; D217-A220 PolarHBondContact O-N 3.37Å; D217-E221 PolarHBondContact O-N 2.89Å
218	E	94.6	Very high	93.9	Very high	49 Å²	49	59.2 Å²	59.2	23%	0.229	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-40.8	172	-165	-164.5	-172.9	0	0	111.4	P213 A214 D215 A220 E221 V222 K292	P213-E218 WeakPolarHBondContact CA-OE2 3.44Å; P213-E218 HydrophobicContact CB-CB 4.13Å; P213-E218 HydrophobicContact CB-CG 3.85Å; P213-E218 WeakPolarHBondContact CB-OE2 3.33Å; P213-E218 HydrophobicContact CG-CG 4.47Å; A214-E218 PolarHBondContact N-OE2 3.36Å; D215-E218 PolarHBondContact O-N 2.83Å; D215-E218 PolarHBondContact OD1-N 2.82Å; E218-A220 VanDerWaalsContact C-N 3.3Å; E218-A220 PolarHBondContact O-N 2.87Å; E218-E221 PolarHBondContact O-N 2.94Å; E218-V222 WeakPolarHBondContact O-CB 3.28Å; E218-V222 WeakPolarHBondContact O-CG2 3.27Å; E218-V222 PolarHBondContact O-N 3.36Å; E218-K292 IonicContact OE1-NZ 3.46Å; E218-K292 PolarHBondContact OE1-NZ 2.72Å
219	R	96.3	Very high	94	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-41.7	173.7	-69.5	171.2	81.4	98.2	-7.9	111.4	V64 S65 E66 P213 D215 D217 A223 V294	V64-R219 PolarHBondContact O-NE 3.28Å; S65-R219 PolarHBondContact O-NH2 2.79Å; E66-R219 WeakPolarHBondContact OE1-CD 3.42Å; E66-R219 IonicContact OE1-CZ 2.72Å; E66-R219 IonicContact OE1-NE 3.35Å; E66-R219 PolarHBondContact OE1-NE 3.42Å; E66-R219 IonicContact OE1-NH1 2.67Å; E66-R219 PolarHBondContact OE1-NH1 3.43Å; E66-R219 IonicContact OE1-NH2 3.84Å; E66-R219 IonicContact OE2-CZ 3.34Å; E66-R219 IonicContact OE2-NH1 3.16Å; E66-R219 PolarHBondContact OE2-NH1 2.87Å; E66-R219 VanDerWaalsContact OE2-NH1 3.13Å; E66-R219 IonicContact OE2-NH2 2.68Å; P213-R219 HydrophobicContact CB-CB 4.49Å; P213-R219 HydrophobicContact CB-CG 3.72Å; P213-R219 WeakPolarHBondContact O-CD 3.23Å; P213-R219 WeakPolarHBondContact O-CG 3.45Å; P213-R219 PolarHBondContact O-NH1 2.9Å; D215-R219 VanDerWaalsContact O-CG 3.23Å; D215-R219 WeakPolarHBondContact O-CG 3.31Å; D215-R219 PolarHBondContact O-N 3.01Å; D217-R219 VanDerWaalsContact C-N 3.35Å; R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.93Å; R219-V294 HydrophobicContact CB-CG2 4.15Å; R219-V294 HydrophobicContact CG-CG1 4.46Å; R219-V294 HydrophobicContact CG-CG2 4.3Å
220	A	95.9	Very high	94.3	Very high	34 Å²	34	56.2 Å²	56.2	28%	0.281	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-43.2	176.3	0	0	0	0	0	112.3	V64 P216 D217 E218 V222 A223 I224	V64-A220 HydrophobicContact CG1-CB 4.43Å; P216-A220 WeakPolarHBondContact O-CB 3.48Å; P216-A220 PolarHBondContact O-N 2.89Å; D217-A220 PolarHBondContact O-N 3.37Å; E218-A220 VanDerWaalsContact C-N 3.3Å; E218-A220 PolarHBondContact O-N 2.87Å; A220-V222 VanDerWaalsContact C-N 3.31Å; A220-V222 PolarHBondContact O-N 3.35Å; A220-A223 PolarHBondContact O-N 2.87Å; A220-I224 HydrophobicContact CB-CG1 4.42Å; A220-I224 VanDerWaalsContact O-CB 3.26Å; A220-I224 WeakPolarHBondContact O-CB 3.38Å; A220-I224 WeakPolarHBondContact O-CG1 3.3Å; A220-I224 PolarHBondContact O-N 2.98Å
221	E	95.4	Very high	94.7	Very high	165 Å²	165	53.5 Å²	53.5	77%	0.771	30%	0.295	S	S	*	.	H	α-helix	trans	-58.2	-42.6	176.2	-173.3	-177	156.5	0	0	111.9	D217 E218	D217-E221 PolarHBondContact O-N 2.89Å; E218-E221 PolarHBondContact O-N 2.94Å
222	V	96.8	Very high	95	Very high	14 Å²	14	48 Å²	48	9%	0.085	27%	0.269	C	S	.	.	H	α-helix	trans	-75.4	-41.2	-179.4	172.9	0	0	0	0	112.3	P213 E218 A220 K292 V294 A315 A316	P213-V222 HydrophobicContact CG-CB 4.29Å; P213-V222 HydrophobicContact CG-CG1 4.41Å; P213-V222 HydrophobicContact CG-CG2 3.93Å; E218-V222 WeakPolarHBondContact O-CB 3.28Å; E218-V222 WeakPolarHBondContact O-CG2 3.27Å; E218-V222 PolarHBondContact O-N 3.36Å; A220-V222 VanDerWaalsContact C-N 3.31Å; A220-V222 PolarHBondContact O-N 3.35Å; V222-K292 HydrophobicContact CB-CB 4.4Å; V222-K292 VanDerWaalsContact CG1-C 3.48Å; V222-K292 HydrophobicContact CG1-CB 3.72Å; V222-K292 HydrophobicContact CG2-CB 3.67Å; V222-K292 HydrophobicContact CG2-CD 3.93Å; V222-K292 HydrophobicContact CG2-CG 4.45Å; V222-V294 HydrophobicContact CB-CG2 4.09Å; V222-V294 HydrophobicContact CG1-CG2 3.96Å; V222-A315 CarbonylContact O-C 3.11Å; V222-A315 WeakPolarHBondContact O-CA 3.47Å; V222-A316 PolarHBondContact O-N 2.96Å
223	A	97.7	Very high	95.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-86.9	-30.4	-171.8	0	0	0	0	0	114.7	V63 V64 R219 A220 S231 V294 A315 A316	V63-A223 HydrophobicContact CG1-CB 4.14Å; V64-A223 HydrophobicContact CG1-CB 4.17Å; R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.93Å; A220-A223 PolarHBondContact O-N 2.87Å; A223-S231 VanDerWaalsContact O-CB 3.22Å; A223-S231 WeakPolarHBondContact O-CB 3.45Å; A223-S231 PolarHBondContact O-OG 3.35Å; A223-V294 HydrophobicContact CB-CG2 4.1Å; A223-A315 CarbonylContact O-C 3.55Å; A223-A316 WeakPolarHBondContact O-CA 3.46Å; A223-A316 PolarHBondContact O-N 3.04Å
224	I	97.6	Very high	95.6	Very high	16 Å²	16	46.2 Å²	46.2	8%	0.082	26%	0.26	C	S	.	.			trans	-100.6	125.6	-163.3	-55	-50.7	0	0	0	112.7	F57 P59 V63 V64 A220 T226 A316	F57-I224 HydrophobicContact CD1-CG2 4.48Å; P59-I224 HydrophobicContact CB-CD1 3.57Å; P59-I224 HydrophobicContact CB-CG1 4.35Å; P59-I224 HydrophobicContact CG-CD1 4.39Å; V63-I224 HydrophobicContact CG1-CD1 3.73Å; V64-I224 HydrophobicContact CG1-CD1 3.99Å; V64-I224 HydrophobicContact CG1-CG1 4.15Å; A220-I224 HydrophobicContact CB-CG1 4.42Å; A220-I224 VanDerWaalsContact O-CB 3.26Å; A220-I224 WeakPolarHBondContact O-CB 3.38Å; A220-I224 WeakPolarHBondContact O-CG1 3.3Å; A220-I224 PolarHBondContact O-N 2.98Å; I224-T226 PolarHBondContact O-N 3.05Å; I224-A316 WeakPolarHBondContact O-CB 3.34Å
225	N	96.9	Very high	96	Very high	15 Å²	15	42.6 Å²	42.6	8%	0.08	23%	0.229	C	C	.	.			trans	-72.2	118.2	175.7	-173.4	-75.5	0	0	0	110.9	K227 T228 G229 G230 A316	N225-K227 PolarHBondContact O-N 2.8Å; N225-K227 VanDerWaalsContact O-N 3.08Å; N225-K227 WeakPolarHBondContact OD1-CA 3.45Å; N225-K227 WeakPolarHBondContact OD1-CB 3.35Å; N225-K227 PolarHBondContact OD1-N 2.87Å; N225-T228 PolarHBondContact O-N 3.45Å; N225-T228 PolarHBondContact OD1-N 3.28Å; N225-G229 WeakPolarHBondContact O-CA 3.15Å; N225-G229 PolarHBondContact O-N 3.25Å; N225-G230 WeakPolarHBondContact CB-O 3.33Å; N225-G230 PolarHBondContact N-O 3.24Å; N225-A316 PolarHBondContact ND2-O 3.38Å
226	T	94	Very high	96.4	Very high	120 Å²	120	39.1 Å²	39.1	74%	0.736	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-5.4	-176.1	56.1	0	0	0	0	115.3	F57 I224	F57-T226 VanDerWaalsContact CE1-O 3.27Å; F57-T226 WeakPolarHBondContact CE1-O 3.15Å; F57-T226 VanDerWaalsContact CZ-O 3.29Å; F57-T226 WeakPolarHBondContact CZ-O 3.5Å; I224-T226 PolarHBondContact O-N 3.05Å
227	K	93.8	Very high	96.7	Very high	153 Å²	153	36.1 Å²	36.1	67%	0.665	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-36.2	172.5	-58	177.3	-177.7	172.8	0	112.5	N225	N225-K227 PolarHBondContact O-N 2.8Å; N225-K227 VanDerWaalsContact O-N 3.08Å; N225-K227 WeakPolarHBondContact OD1-CA 3.45Å; N225-K227 WeakPolarHBondContact OD1-CB 3.35Å; N225-K227 PolarHBondContact OD1-N 2.87Å
228	T	94.9	Very high	97	Very high	13 Å²	13	30.3 Å²	30.3	8%	0.08	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-23.1	-168.1	73	0	0	0	0	114.3	I136 N225 G230 Y353 S356	I136-T228 HydrophobicContact CG1-CG2 3.75Å; N225-T228 PolarHBondContact O-N 3.45Å; N225-T228 PolarHBondContact OD1-N 3.28Å; T228-G230 PolarHBondContact O-N 3.34Å; T228-G230 PolarHBondContact OG1-N 3.35Å; T228-Y353 WeakPolarHBondContact CB-OH 3.32Å; T228-Y353 PolarHBondContact OG1-OH 3.03Å; T228-S356 PolarHBondContact O-OG 3.39Å; T228-S356 VanDerWaalsContact O-OG 3.06Å
229	G	95.9	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	72.2	-2.9	-167.9	0	0	0	0	0	114.9	N225 S356	N225-G229 WeakPolarHBondContact O-CA 3.15Å; N225-G229 PolarHBondContact O-N 3.25Å; G229-S356 VanDerWaalsContact C-CB 3.5Å; G229-S356 WeakPolarHBondContact O-CB 3.31Å
230	G	97.4	Very high	97.3	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	16%	0.157	C	C	.	.			trans	-80.2	-176.2	171.2	0	0	0	0	0	112.3	N225 T228 F354	N225-G230 WeakPolarHBondContact CB-O 3.33Å; N225-G230 PolarHBondContact N-O 3.24Å; T228-G230 PolarHBondContact O-N 3.34Å; T228-G230 PolarHBondContact OG1-N 3.35Å; G230-F354 CarbonylContact C-O 3.56Å; G230-F354 WeakPolarHBondContact CA-O 3.42Å
231	S	98.5	Very high	97.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.8	176	-171.3	0	0	0	0	109.9	A223 A315 F354	A223-S231 VanDerWaalsContact O-CB 3.22Å; A223-S231 WeakPolarHBondContact O-CB 3.45Å; A223-S231 PolarHBondContact O-OG 3.35Å; S231-A315 PolarHBondContact OG-O 2.67Å; S231-F354 PolarHBondContact N-O 3.35Å; S231-F354 PolarHBondContact O-N 2.81Å
232	Y	98.8	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	145	163.3	-62	-85.8	0	0	0	108.6	I136 S137 Y139 Y314 A315 A316 T318 F321 W352 Y353	I136-Y232 HydrophobicContact CG2-CE1 4.26Å; I136-Y232 WeakPolarHBondContact CG2-OH 3.47Å; S137-Y232 WeakPolarHBondContact CB-OH 3.49Å; S137-Y232 PolarHBondContact N-OH 2.94Å; S137-Y232 PolarHBondContact O-OH 2.92Å; Y139-Y232 HydrophobicContact CD1-CD1 4.32Å; Y139-Y232 AromaticContact CD1-CE1 3.77Å; Y139-Y232 HydrophobicContact CD1-CE1 3.77Å; Y139-Y232 HydrophobicContact CG-CD1 4.02Å; Y139-Y232 AromaticContact CG-CE1 3.89Å; Y139-Y232 HydrophobicContact CG-CE1 3.89Å; Y232-Y314 CarbonylContact O-C 3.55Å; Y232-Y314 WeakPolarHBondContact O-CA 3.5Å; Y232-A315 PolarHBondContact N-O 2.86Å; Y232-A315 PolarHBondContact O-N 2.92Å; Y232-A316 WeakPolarHBondContact CD2-O 3.41Å; Y232-T318 HydrophobicContact CD1-CG2 3.75Å; Y232-T318 HydrophobicContact CE1-CG2 4.4Å; Y232-T318 HydrophobicContact CG-CG2 3.93Å; Y232-F321 WeakPolarHBondContact O-CZ 3.38Å; Y232-W352 CarbonylContact C-O 3.52Å; Y232-W352 WeakPolarHBondContact CA-O 3.36Å; Y232-Y353 HydrophobicContact CD1-CD2 4.03Å; Y232-Y353 AromaticContact CE1-CD2 3.74Å; Y232-Y353 HydrophobicContact CE1-CD2 3.74Å; Y232-Y353 HydrophobicContact CE1-CE2 4.47Å
233	A	98.9	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.7	171.1	0	0	0	0	0	111.3	A313 Y314 Y351 W352 F354	A233-A313 CarbonylContact C-O 3.41Å; A233-A313 WeakPolarHBondContact CA-O 3.32Å; A233-Y314 HydrophobicContact CB-CD1 3.73Å; A233-Y314 HydrophobicContact CB-CE1 3.72Å; A233-Y351 CarbonylContact O-C 3.6Å; A233-Y351 WeakPolarHBondContact O-CA 3.27Å; A233-W352 HydrophobicContact CB-CB 4.38Å; A233-W352 PolarHBondContact N-O 3.07Å; A233-W352 PolarHBondContact O-N 2.8Å; A233-F354 HydrophobicContact CB-CD2 3.81Å; A233-F354 HydrophobicContact CB-CE2 3.6Å
234	V	98.8	Very high	97.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.5	162.8	57.6	0	0	0	0	108.4	Y141 Q236 F311 I312 A313 F321 L325 Y351	Y141-V234 HydrophobicContact CE2-CG2 4.29Å; V234-Q236 HydrophobicContact CG2-CG 4.2Å; V234-F311 HydrophobicContact CG1-CD1 4.28Å; V234-F311 HydrophobicContact CG1-CE1 3.58Å; V234-F311 HydrophobicContact CG1-CZ 4.44Å; V234-I312 VanDerWaalsContact O-CA 3.3Å; V234-I312 WeakPolarHBondContact O-CA 3.39Å; V234-A313 HydrophobicContact CG1-CB 3.98Å; V234-A313 PolarHBondContact N-O 3.27Å; V234-A313 PolarHBondContact O-N 3.29Å; V234-A313 VanDerWaalsContact O-N 3.12Å; V234-F321 HydrophobicContact CB-CB 4.49Å; V234-F321 HydrophobicContact CB-CD1 4.21Å; V234-F321 HydrophobicContact CB-CD2 4Å; V234-F321 HydrophobicContact CB-CE1 4.44Å; V234-F321 HydrophobicContact CB-CE2 4.24Å; V234-F321 HydrophobicContact CB-CG 3.99Å; V234-F321 HydrophobicContact CB-CZ 4.45Å; V234-F321 HydrophobicContact CG1-CB 4.42Å; V234-F321 HydrophobicContact CG1-CD1 3.47Å; V234-F321 VanDerWaalsContact CG1-CD1 3.47Å; V234-F321 HydrophobicContact CG1-CD2 4.16Å; V234-F321 HydrophobicContact CG1-CE1 3.63Å; V234-F321 HydrophobicContact CG1-CE2 4.29Å; V234-F321 HydrophobicContact CG1-CG 3.77Å; V234-F321 HydrophobicContact CG1-CZ 4.03Å; V234-L325 HydrophobicContact CG2-CD1 4.34Å; V234-Y351 HydrophobicContact CB-CD1 3.74Å; V234-Y351 HydrophobicContact CB-CE1 3.76Å; V234-Y351 HydrophobicContact CG2-CD1 3.9Å; V234-Y351 HydrophobicContact CG2-CE1 3.74Å
235	V	98.8	Very high	97.4	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.5	173.6	-178.9	0	0	0	0	108.6	F159 L310 F311 I312 G349 N350	F159-V235 HydrophobicContact CD1-CG2 4.17Å; F159-V235 HydrophobicContact CE1-CG2 3.57Å; F159-V235 HydrophobicContact CE2-CG1 3.96Å; F159-V235 HydrophobicContact CE2-CG2 4.19Å; F159-V235 HydrophobicContact CZ-CB 4.33Å; F159-V235 HydrophobicContact CZ-CG1 3.84Å; F159-V235 HydrophobicContact CZ-CG2 3.58Å; V235-L310 HydrophobicContact CG1-CD2 4.28Å; V235-F311 WeakPolarHBondContact CA-O 3.4Å; V235-I312 HydrophobicContact CG2-CB 4.36Å; V235-I312 HydrophobicContact CG2-CD1 3.87Å; V235-I312 HydrophobicContact CG2-CG1 3.89Å; V235-G349 WeakPolarHBondContact O-CA 3.17Å; V235-N350 PolarHBondContact N-O 2.93Å; V235-N350 PolarHBondContact O-N 2.88Å; V235-N350 VanDerWaalsContact O-N 3.1Å
236	Q	98.8	Very high	97.4	Very high	2 Å²	2	42 Å²	42	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	131.8	179.8	-72.9	172.9	-20.8	0	0	111.4	Y141 V234 F311 T348	Y141-Q236 PolarHBondContact OH-NE2 2.87Å; V234-Q236 HydrophobicContact CG2-CG 4.2Å; Q236-F311 HydrophobicContact CB-CB 4.31Å; Q236-F311 HydrophobicContact CB-CD1 4.39Å; Q236-F311 PolarHBondContact N-O 2.93Å; Q236-F311 PolarHBondContact O-N 3.29Å; Q236-T348 VanDerWaalsContact CA-O 3.28Å; Q236-T348 WeakPolarHBondContact CA-O 3.41Å
237	K	98.7	Very high	97.6	Very high	29 Å²	29	40.9 Å²	40.9	13%	0.126	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.8	173	-172.8	-178.9	-173.9	-178.7	0	110.1	E190 I192 Y300 L310 C346 V347 T348	E190-K237 IonicContact OE1-NZ 3.77Å; E190-K237 PolarHBondContact OE1-NZ 2.99Å; I192-K237 HydrophobicContact CD1-CD 3.68Å; I192-K237 HydrophobicContact CD1-CG 4.17Å; K237-Y300 HydrophobicContact CD-CE2 4.45Å; K237-Y300 VanDerWaalsContact CE-CE2 3.46Å; K237-Y300 WeakPolarHBondContact CE-OH 3.43Å; K237-Y300 HydrophobicContact CG-CE1 4.1Å; K237-Y300 HydrophobicContact CG-CE2 4.24Å; K237-Y300 VanDerWaalsContact CG-OH 3.24Å; K237-Y300 WeakPolarHBondContact CG-OH 3.42Å; K237-L310 HydrophobicContact CB-CD1 3.73Å; K237-L310 HydrophobicContact CG-CD1 3.94Å; K237-C346 WeakPolarHBondContact O-CA 3.34Å; K237-V347 HydrophobicContact CB-CG2 4Å; K237-V347 HydrophobicContact CD-CG2 3.91Å; K237-V347 HydrophobicContact CG-CG2 3.88Å; K237-V347 WeakPolarHBondContact O-CG2 3.44Å; K237-V347 PolarHBondContact O-N 2.79Å; K237-T348 HydrophobicContact CB-CG2 4.12Å; K237-T348 WeakPolarHBondContact CB-OG1 3.27Å; K237-T348 HydrophobicContact CD-CG2 4.26Å; K237-T348 PolarHBondContact N-O 3.07Å; K237-T348 PolarHBondContact N-OG1 2.92Å; K237-T348 VanDerWaalsContact N-OG1 3.14Å
238	W	98.8	Very high	97.8	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.045	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.8	-179.4	-69.3	87	0	0	0	110.8	L151 Y300 G308 L309 M328 M341 T344 K345 C346	L151-W238 HydrophobicContact CD2-CH2 3.54Å; L151-W238 HydrophobicContact CD2-CZ2 3.56Å; W238-Y300 WeakPolarHBondContact O-CE1 3.24Å; W238-Y300 PolarHBondContact O-OH 2.82Å; W238-G308 WeakPolarHBondContact O-CA 3.3Å; W238-L309 WeakPolarHBondContact CB-O 3.46Å; W238-L309 PolarHBondContact N-O 2.68Å; W238-L309 PolarHBondContact O-N 3.16Å; W238-L309 VanDerWaalsContact O-N 3.14Å; W238-M328 HydrophobicContact CH2-CE 3.57Å; W238-M328 HydrophobicContact CZ2-CE 3.79Å; W238-M328 HydrophobicContact CZ2-SD 4.49Å; W238-M341 HydrophobicContact CH2-CE 4.13Å; W238-M341 HydrophobicContact CH2-CG 4.16Å; W238-M341 HydrophobicContact CH2-SD 4.47Å; W238-M341 HydrophobicContact CZ3-CE 4.3Å; W238-M341 HydrophobicContact CZ3-CG 4.12Å; W238-T344 HydrophobicContact CE3-CG2 3.63Å; W238-T344 HydrophobicContact CZ3-CG2 4.05Å; W238-K345 WeakPolarHBondContact CA-O 3.47Å; W238-C346 HydrophobicContact CD2-CB 3.88Å; W238-C346 HydrophobicContact CE3-CB 3.87Å; W238-C346 HydrophobicContact CH2-CB 3.8Å; W238-C346 HydrophobicContact CZ2-CB 3.79Å; W238-C346 HydrophobicContact CZ3-CB 3.83Å
239	I	98.6	Very high	98	Very high	36 Å²	36	42.4 Å²	42.4	19%	0.185	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.4	175.2	-55.4	169.3	0	0	0	108.2	D306 T344 K345 V347	I239-D306 HydrophobicContact CD1-CB 4.12Å; I239-D306 VanDerWaalsContact CD1-CG 3.49Å; I239-D306 WeakPolarHBondContact CD1-OD2 3.47Å; I239-D306 HydrophobicContact CG1-CB 4.13Å; I239-D306 HydrophobicContact CG2-CB 4.2Å; I239-T344 CarbonylContact O-C 3.56Å; I239-T344 VanDerWaalsContact O-CA 3.24Å; I239-T344 WeakPolarHBondContact O-CA 3.41Å; I239-T344 WeakPolarHBondContact O-CB 3.44Å; I239-T344 PolarHBondContact O-OG1 3.21Å; I239-K345 PolarHBondContact N-O 3.5Å; I239-K345 PolarHBondContact O-N 3.1Å; I239-V347 HydrophobicContact CD1-CB 4.31Å; I239-V347 HydrophobicContact CD1-CG1 3.61Å; I239-V347 HydrophobicContact CD1-CG2 3.8Å; I239-V347 HydrophobicContact CG1-CG1 4.27Å; I239-V347 HydrophobicContact CG1-CG2 3.97Å
240	H	98.5	Very high	98.1	Very high	17 Å²	17	46.3 Å²	46.3	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.9	-178	-66.2	4.1	0	0	0	112.2	D202 M242 I245 A307 L309 T344	D202-H240 IonicContact OD1-CD2 3.68Å; D202-H240 IonicContact OD1-NE2 2.73Å; D202-H240 PolarHBondContact OD1-NE2 3.23Å; D202-H240 IonicContact OD2-CD2 2.89Å; D202-H240 IonicContact OD2-NE2 2.77Å; D202-H240 PolarHBondContact OD2-NE2 3.26Å; H240-M242 HydrophobicContact CB-CE 3.77Å; H240-M242 HydrophobicContact CB-SD 3.95Å; H240-M242 PolarHBondContact O-N 2.65Å; H240-M242 VanDerWaalsContact O-N 3.13Å; H240-I245 HydrophobicContact CB-CD1 3.84Å; H240-A307 PolarHBondContact N-O 2.9Å; H240-L309 PolarHBondContact CE1-N 3.4Å; H240-T344 PolarHBondContact CE1-OG1 3.34Å; H240-T344 VanDerWaalsContact ND1-CB 3.34Å; H240-T344 WeakPolarHBondContact ND1-CB 3.16Å; H240-T344 PolarHBondContact ND1-OG1 3.27Å
241	N	97.9	Very high	98.1	Very high	77 Å²	77	53.5 Å²	53.5	41%	0.412	26%	0.258	S	S	.	.			trans	-81.3	86.9	168.2	-173.8	-25.9	0	0	0	109.2	D243 M244 I245 F343	N241-D243 PolarHBondContact O-N 3.33Å; N241-D243 PolarHBondContact OD1-N 3.4Å; N241-M244 HydrophobicContact CB-CB 4.01Å; N241-M244 PolarHBondContact O-N 3.44Å; N241-M244 VanDerWaalsContact O-N 3.13Å; N241-M244 PolarHBondContact OD1-N 3.16Å; N241-I245 WeakPolarHBondContact O-CG1 3.4Å; N241-I245 PolarHBondContact O-N 2.84Å; N241-F343 PolarHBondContact N-O 3.07Å
242	M	96.7	Very high	98.1	Very high	70 Å²	70	56.1 Å²	56.1	35%	0.345	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-33.9	-177.1	-60.1	-56.3	-178.2	0	0	112.9	L203 H240 I245 R246 A307	L203-M242 HydrophobicContact CB-CE 3.82Å; L203-M242 HydrophobicContact CB-SD 4.41Å; L203-M242 HydrophobicContact CD1-CE 3.64Å; L203-M242 HydrophobicContact CG-CE 4.38Å; H240-M242 HydrophobicContact CB-CE 3.77Å; H240-M242 HydrophobicContact CB-SD 3.95Å; H240-M242 PolarHBondContact O-N 2.65Å; H240-M242 VanDerWaalsContact O-N 3.13Å; M242-I245 PolarHBondContact O-N 3.41Å; M242-I245 HydrophobicContact SD-CD1 4.03Å; M242-R246 WeakPolarHBondContact O-CB 3.44Å; M242-R246 PolarHBondContact O-N 3.44Å; M242-A307 HydrophobicContact CE-CB 3.77Å
243	D	96.3	Very high	98	Very high	96 Å²	96	56.9 Å²	56.9	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-68.8	-39.4	176.3	-84.1	-34.7	0	0	0	112.5	N241 R246 T247	N241-D243 PolarHBondContact O-N 3.33Å; N241-D243 PolarHBondContact OD1-N 3.4Å; D243-R246 PolarHBondContact O-N 2.94Å; D243-R246 IonicContact OD1-CZ 3.01Å; D243-R246 IonicContact OD1-NE 3.17Å; D243-R246 PolarHBondContact OD1-NE 2.91Å; D243-R246 VanDerWaalsContact OD1-NE 3.16Å; D243-R246 IonicContact OD1-NH2 2.65Å; D243-R246 PolarHBondContact OD1-NH2 3.23Å; D243-T247 WeakPolarHBondContact O-CB 3.25Å; D243-T247 WeakPolarHBondContact O-CG2 3.2Å; D243-T247 PolarHBondContact O-N 3.4Å; D243-T247 PolarHBondContact O-OG1 2.9Å
244	M	97.6	Very high	98	Very high	56 Å²	56	58.5 Å²	58.5	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-45.6	172.5	-172.7	-179.9	-62.7	0	0	111.3	N241 R246 T247 T248 W256 R342 F343	N241-M244 HydrophobicContact CB-CB 4.01Å; N241-M244 PolarHBondContact O-N 3.44Å; N241-M244 VanDerWaalsContact O-N 3.13Å; N241-M244 PolarHBondContact OD1-N 3.16Å; M244-R246 VanDerWaalsContact C-N 3.28Å; M244-R246 PolarHBondContact O-N 2.8Å; M244-T247 PolarHBondContact O-N 2.6Å; M244-T248 WeakPolarHBondContact O-CB 3.34Å; M244-T248 PolarHBondContact O-N 3.27Å; M244-T248 PolarHBondContact O-OG1 2.84Å; M244-W256 HydrophobicContact CG-CH2 4.31Å; M244-W256 HydrophobicContact CG-CZ3 4.45Å; M244-W256 HydrophobicContact SD-CH2 3.97Å; M244-W256 HydrophobicContact SD-CZ3 4.2Å; M244-R342 WeakPolarHBondContact CE-O 3.23Å; M244-R342 HydrophobicContact SD-CB 4.49Å; M244-F343 HydrophobicContact CG-CB 4.39Å; M244-F343 HydrophobicContact SD-CB 3.87Å
245	I	97.4	Very high	98	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-42.7	176.5	-70	160.2	0	0	0	111.2	H240 N241 M242 K253 F343	H240-I245 HydrophobicContact CB-CD1 3.84Å; N241-I245 WeakPolarHBondContact O-CG1 3.4Å; N241-I245 PolarHBondContact O-N 2.84Å; M242-I245 PolarHBondContact O-N 3.41Å; M242-I245 HydrophobicContact SD-CD1 4.03Å; I245-K253 WeakPolarHBondContact O-CD 3.45Å; I245-K253 PolarHBondContact O-NZ 3.27Å; I245-F343 HydrophobicContact CD1-CD2 3.83Å; I245-F343 HydrophobicContact CD1-CE2 4.38Å; I245-F343 HydrophobicContact CG1-CB 4.22Å; I245-F343 HydrophobicContact CG1-CD2 3.82Å; I245-F343 HydrophobicContact CG1-CG 4.19Å
246	R	96.6	Very high	98	Very high	175 Å²	175	60.7 Å²	60.7	66%	0.66	30%	0.297	S	S	*	.	H	α-helix	trans	-72.7	-36.1	-178	-177.8	-179.9	62.7	74.6	-2.3	113.5	M242 D243 M244	M242-R246 WeakPolarHBondContact O-CB 3.44Å; M242-R246 PolarHBondContact O-N 3.44Å; D243-R246 PolarHBondContact O-N 2.94Å; D243-R246 IonicContact OD1-CZ 3.01Å; D243-R246 IonicContact OD1-NE 3.17Å; D243-R246 PolarHBondContact OD1-NE 2.91Å; D243-R246 VanDerWaalsContact OD1-NE 3.16Å; D243-R246 IonicContact OD1-NH2 2.65Å; D243-R246 PolarHBondContact OD1-NH2 3.23Å; M244-R246 VanDerWaalsContact C-N 3.28Å; M244-R246 PolarHBondContact O-N 2.8Å
247	T	97.9	Very high	98	Very high	95 Å²	95	61.4 Å²	61.4	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-93.1	-22.8	-175.1	55	0	0	0	0	113.7	D243 M244	D243-T247 WeakPolarHBondContact O-CB 3.25Å; D243-T247 WeakPolarHBondContact O-CG2 3.2Å; D243-T247 PolarHBondContact O-N 3.4Å; D243-T247 PolarHBondContact O-OG1 2.9Å; M244-T247 PolarHBondContact O-N 2.6Å
248	T	98.4	Very high	98	Very high	27 Å²	27	60 Å²	60	17%	0.166	30%	0.295	C	S	.	.	S	Bend	trans	-75.9	129.4	178.3	-57	0	0	0	0	111.1	M244 T252 K253 W256	M244-T248 WeakPolarHBondContact O-CB 3.34Å; M244-T248 PolarHBondContact O-N 3.27Å; M244-T248 PolarHBondContact O-OG1 2.84Å; T248-T252 HydrophobicContact CG2-CG2 3.65Å; T248-K253 HydrophobicContact CG2-CG 3.73Å; T248-K253 VanDerWaalsContact O-CE 3.23Å; T248-K253 WeakPolarHBondContact O-CE 3.39Å; T248-K253 PolarHBondContact O-NZ 2.89Å; T248-W256 HydrophobicContact CG2-CH2 3.66Å; T248-W256 HydrophobicContact CG2-CZ2 4.26Å; T248-W256 HydrophobicContact CG2-CZ3 3.88Å
249	K	98.2	Very high	97.9	Very high	171 Å²	171	60.6 Å²	60.6	74%	0.743	30%	0.298	S	S	*	.			trans	-56.7	141.4	175.8	-64.5	-179.1	179.7	179.3	0	111.2	H251 T252 K253	K249-H251 PolarHBondContact O-N 2.89Å; K249-T252 WeakPolarHBondContact O-CB 3.5Å; K249-T252 PolarHBondContact O-N 3.42Å; K249-K253 PolarHBondContact O-N 2.95Å
250	D	97.8	Very high	97.9	Very high	83 Å²	83	60.5 Å²	60.5	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-55.8	-48.8	-174.4	-65.5	-24.5	0	0	0	112.9	T252 K253 E254 L261	D250-T252 PolarHBondContact O-N 3.11Å; D250-K253 CarbonylContact O-C 3.57Å; D250-K253 WeakPolarHBondContact O-CA 3.41Å; D250-K253 WeakPolarHBondContact O-CB 3.47Å; D250-K253 PolarHBondContact O-N 3.35Å; D250-K253 WeakPolarHBondContact OD1-CE 3.43Å; D250-K253 IonicContact OD1-NZ 3.98Å; D250-K253 PolarHBondContact OD1-NZ 2.9Å; D250-E254 VanDerWaalsContact O-CG 3.3Å; D250-E254 WeakPolarHBondContact O-CG 3.21Å; D250-E254 PolarHBondContact O-N 3.25Å; D250-L261 HydrophobicContact CB-CD2 4.16Å; D250-L261 WeakPolarHBondContact OD1-CD2 3.32Å
251	H	97.5	Very high	97.8	Very high	152 Å²	152	61 Å²	61	70%	0.704	30%	0.302	S	S	*	.	H	α-helix	trans	-50.9	-34.8	175.1	178.4	-81	0	0	0	114	K249 E254 G255	K249-H251 PolarHBondContact O-N 2.89Å; H251-E254 WeakPolarHBondContact CA-OE2 3.26Å; H251-G255 PolarHBondContact O-N 2.71Å
252	T	98.3	Very high	97.7	Very high	56 Å²	56	64.2 Å²	64.2	34%	0.344	31%	0.312	S	S	.	.	H	α-helix	trans	-72	-42.5	177	-59.8	0	0	0	0	111.3	T248 K249 D250 G255 W256	T248-T252 HydrophobicContact CG2-CG2 3.65Å; K249-T252 WeakPolarHBondContact O-CB 3.5Å; K249-T252 PolarHBondContact O-N 3.42Å; D250-T252 PolarHBondContact O-N 3.11Å; T252-G255 PolarHBondContact O-N 3.12Å; T252-W256 HydrophobicContact CG2-CD2 4.42Å; T252-W256 HydrophobicContact CG2-CH2 4.34Å; T252-W256 HydrophobicContact CG2-CZ2 3.67Å; T252-W256 PolarHBondContact O-N 3.06Å; T252-W256 VanDerWaalsContact O-N 3.08Å
253	K	98.4	Very high	97.6	Very high	16 Å²	16	65.5 Å²	65.5	7%	0.07	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-40.6	174.3	-62.9	177.8	-66.5	-168.7	0	111.6	F206 I245 T248 K249 D250 G255 W256 I257	F206-K253 HydrophobicContact CE2-CB 3.85Å; F206-K253 HydrophobicContact CZ-CB 3.82Å; I245-K253 WeakPolarHBondContact O-CD 3.45Å; I245-K253 PolarHBondContact O-NZ 3.27Å; T248-K253 HydrophobicContact CG2-CG 3.73Å; T248-K253 VanDerWaalsContact O-CE 3.23Å; T248-K253 WeakPolarHBondContact O-CE 3.39Å; T248-K253 PolarHBondContact O-NZ 2.89Å; K249-K253 PolarHBondContact O-N 2.95Å; D250-K253 CarbonylContact O-C 3.57Å; D250-K253 WeakPolarHBondContact O-CA 3.41Å; D250-K253 WeakPolarHBondContact O-CB 3.47Å; D250-K253 PolarHBondContact O-N 3.35Å; D250-K253 WeakPolarHBondContact OD1-CE 3.43Å; D250-K253 IonicContact OD1-NZ 3.98Å; D250-K253 PolarHBondContact OD1-NZ 2.9Å; K253-G255 VanDerWaalsContact C-N 3.26Å; K253-G255 PolarHBondContact O-N 3Å; K253-W256 HydrophobicContact CG-CE3 4.24Å; K253-W256 HydrophobicContact CG-CZ3 4.29Å; K253-W256 WeakPolarHBondContact O-CB 3.5Å; K253-W256 PolarHBondContact O-N 2.9Å; K253-W256 VanDerWaalsContact O-N 3.07Å; K253-I257 WeakPolarHBondContact O-CG1 3.5Å; K253-I257 PolarHBondContact O-N 3.1Å
254	E	98.6	Very high	97.6	Very high	35 Å²	35	61.3 Å²	61.3	16%	0.164	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-38.9	174.2	-67.6	178.7	145.7	0	0	111	F206 D250 H251 I257 G258 R259 T260 L261 L267	F206-E254 HydrophobicContact CE1-CG 4.12Å; F206-E254 HydrophobicContact CZ-CG 4.17Å; D250-E254 VanDerWaalsContact O-CG 3.3Å; D250-E254 WeakPolarHBondContact O-CG 3.21Å; D250-E254 PolarHBondContact O-N 3.25Å; H251-E254 WeakPolarHBondContact CA-OE2 3.26Å; E254-I257 PolarHBondContact O-N 3.27Å; E254-G258 WeakPolarHBondContact O-CA 3.46Å; E254-G258 PolarHBondContact O-N 2.83Å; E254-R259 WeakPolarHBondContact CA-O 3.49Å; E254-R259 WeakPolarHBondContact CB-O 3.49Å; E254-R259 WeakPolarHBondContact CG-O 3.18Å; E254-T260 WeakPolarHBondContact OE1-CA 3.36Å; E254-T260 WeakPolarHBondContact OE1-CB 3.37Å; E254-L261 HydrophobicContact CG-CB 4.14Å; E254-L261 PolarHBondContact OE1-N 3.46Å; E254-L267 HydrophobicContact CB-CD1 4.26Å; E254-L267 VanDerWaalsContact O-CD1 3.29Å; E254-L267 WeakPolarHBondContact O-CD1 3.28Å
255	G	98.6	Very high	97.6	Very high	15 Å²	15	62.2 Å²	62.2	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-38.2	171.2	0	0	0	0	0	114	H251 T252 K253 P271 S274	H251-G255 PolarHBondContact O-N 2.71Å; T252-G255 PolarHBondContact O-N 3.12Å; K253-G255 VanDerWaalsContact C-N 3.26Å; K253-G255 PolarHBondContact O-N 3Å; G255-P271 WeakPolarHBondContact O-CD 3.41Å; G255-S274 WeakPolarHBondContact O-CB 3.35Å
256	W	98.6	Very high	97.6	Very high	38 Å²	38	62.7 Å²	62.7	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-70.5	-34.1	175.6	-60.3	-22.2	0	0	0	113.1	M244 T248 T252 K253 S274 H275 D339 F343	M244-W256 HydrophobicContact CG-CH2 4.31Å; M244-W256 HydrophobicContact CG-CZ3 4.45Å; M244-W256 HydrophobicContact SD-CH2 3.97Å; M244-W256 HydrophobicContact SD-CZ3 4.2Å; T248-W256 HydrophobicContact CG2-CH2 3.66Å; T248-W256 HydrophobicContact CG2-CZ2 4.26Å; T248-W256 HydrophobicContact CG2-CZ3 3.88Å; T252-W256 HydrophobicContact CG2-CD2 4.42Å; T252-W256 HydrophobicContact CG2-CH2 4.34Å; T252-W256 HydrophobicContact CG2-CZ2 3.67Å; T252-W256 PolarHBondContact O-N 3.06Å; T252-W256 VanDerWaalsContact O-N 3.08Å; K253-W256 HydrophobicContact CG-CE3 4.24Å; K253-W256 HydrophobicContact CG-CZ3 4.29Å; K253-W256 WeakPolarHBondContact O-CB 3.5Å; K253-W256 PolarHBondContact O-N 2.9Å; K253-W256 VanDerWaalsContact O-N 3.07Å; W256-S274 CarbonylContact O-C 3.54Å; W256-S274 VanDerWaalsContact O-CA 3.26Å; W256-S274 WeakPolarHBondContact O-CA 3.06Å; W256-H275 PolarHBondContact O-N 3.49Å; W256-D339 HydrophobicContact CB-CB 3.81Å; W256-D339 HydrophobicContact CG-CB 3.9Å; W256-F343 AromaticContact CE3-CD1 3.74Å; W256-F343 HydrophobicContact CE3-CD1 3.74Å; W256-F343 HydrophobicContact CE3-CE1 4.38Å; W256-F343 HydrophobicContact CZ3-CB 4.38Å; W256-F343 HydrophobicContact CZ3-CD1 4.12Å
257	I	98.4	Very high	97.7	Very high	17 Å²	17	56.3 Å²	56.3	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-85.1	-39.9	179.1	-63.4	-56.2	0	0	0	112.3	F206 K253 E254 R259 H275 V276 V340 F343	F206-I257 HydrophobicContact CD1-CB 4.16Å; F206-I257 HydrophobicContact CD1-CG1 4.04Å; F206-I257 HydrophobicContact CD1-CG2 3.91Å; F206-I257 HydrophobicContact CD2-CG1 3.79Å; F206-I257 HydrophobicContact CE1-CB 3.99Å; F206-I257 HydrophobicContact CE1-CG1 3.95Å; F206-I257 HydrophobicContact CE1-CG2 4.2Å; F206-I257 HydrophobicContact CE2-CG1 3.68Å; F206-I257 HydrophobicContact CG-CG1 3.97Å; F206-I257 HydrophobicContact CG-CG2 4.31Å; F206-I257 HydrophobicContact CZ-CB 4.23Å; F206-I257 HydrophobicContact CZ-CG1 3.78Å; K253-I257 WeakPolarHBondContact O-CG1 3.5Å; K253-I257 PolarHBondContact O-N 3.1Å; E254-I257 PolarHBondContact O-N 3.27Å; I257-R259 HydrophobicContact CG2-CB 4.32Å; I257-R259 HydrophobicContact CG2-CG 4.4Å; I257-H275 HydrophobicContact CD1-CB 4.45Å; I257-H275 PolarHBondContact O-N 2.9Å; I257-V276 WeakPolarHBondContact O-CG2 3.24Å; I257-V276 PolarHBondContact O-N 3.47Å; I257-V340 HydrophobicContact CD1-CG2 3.94Å; I257-F343 HydrophobicContact CD1-CE1 4.02Å; I257-F343 HydrophobicContact CD1-CZ 3.96Å
258	G	98.4	Very high	97.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	9	-172.3	0	0	0	0	0	114.4	E254 L267	E254-G258 WeakPolarHBondContact O-CA 3.46Å; E254-G258 PolarHBondContact O-N 2.83Å; G258-L267 PolarHBondContact O-N 2.54Å
259	R	98.4	Very high	97.5	Very high	25 Å²	25	65 Å²	65	9%	0.094	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-138	160.9	177.1	-49.3	-171	75.7	104.9	-16.6	111.2	F206 E211 E254 I257 S264 V265 E266 V276	F206-R259 WeakPolarHBondContact CE1-O 3.49Å; E211-R259 IonicContact OE1-CZ 3.13Å; E211-R259 IonicContact OE1-NH1 3.55Å; E211-R259 PolarHBondContact OE1-NH1 2.79Å; E211-R259 IonicContact OE1-NH2 3.48Å; E211-R259 PolarHBondContact OE1-NH2 2.78Å; E254-R259 WeakPolarHBondContact CA-O 3.49Å; E254-R259 WeakPolarHBondContact CB-O 3.49Å; E254-R259 WeakPolarHBondContact CG-O 3.18Å; I257-R259 HydrophobicContact CG2-CB 4.32Å; I257-R259 HydrophobicContact CG2-CG 4.4Å; R259-S264 VanDerWaalsContact CZ-O 3.25Å; R259-S264 PolarHBondContact NE-O 3.33Å; R259-S264 PolarHBondContact NE-OG 3.26Å; R259-S264 PolarHBondContact NH2-O 2.74Å; R259-V265 CarbonylContact C-O 3.59Å; R259-V265 VanDerWaalsContact CA-O 3.26Å; R259-V265 WeakPolarHBondContact CA-O 3.36Å; R259-E266 IonicContact NH1-OE2 3.03Å; R259-V276 HydrophobicContact CG-CG2 3.74Å
260	T	98.1	Very high	97.5	Very high	33 Å²	33	57.2 Å²	57.2	20%	0.202	29%	0.289	C	S	.	.			trans	-73.3	142.1	173.2	60.5	0	0	0	0	112.2	E254 S264 V265 L267	E254-T260 WeakPolarHBondContact OE1-CA 3.36Å; E254-T260 WeakPolarHBondContact OE1-CB 3.37Å; T260-S264 VanDerWaalsContact O-CA 3.28Å; T260-S264 WeakPolarHBondContact O-CA 3.5Å; T260-S264 PolarHBondContact O-N 3.1Å; T260-S264 VanDerWaalsContact O-N 3.1Å; T260-V265 HydrophobicContact CG2-CB 4.48Å; T260-V265 PolarHBondContact N-O 2.86Å; T260-V265 PolarHBondContact OG1-N 2.92Å; T260-V265 PolarHBondContact OG1-O 3.37Å; T260-L267 HydrophobicContact CG2-CD2 3.72Å
261	L	96.7	Very high	97.5	Very high	29 Å²	29	55.8 Å²	55.8	15%	0.152	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-43.1	-175	177.8	68.1	0	0	0	111.6	R201 G205 F206 D250 E254	R201-L261 PolarHBondContact NH1-O 2.86Å; G205-L261 VanDerWaalsContact C-CD1 3.5Å; G205-L261 WeakPolarHBondContact O-CD1 3.22Å; F206-L261 HydrophobicContact CD1-CB 4.46Å; F206-L261 HydrophobicContact CD1-CD1 4.01Å; F206-L261 HydrophobicContact CD2-CD1 3.65Å; F206-L261 HydrophobicContact CE1-CB 3.88Å; F206-L261 HydrophobicContact CE1-CD1 3.95Å; F206-L261 HydrophobicContact CE2-CD1 3.58Å; F206-L261 HydrophobicContact CG-CD1 3.87Å; F206-L261 HydrophobicContact CZ-CB 4.03Å; F206-L261 HydrophobicContact CZ-CD1 3.73Å; F206-L261 HydrophobicContact CZ-CG 4.46Å; D250-L261 HydrophobicContact CB-CD2 4.16Å; D250-L261 WeakPolarHBondContact OD1-CD2 3.32Å; E254-L261 HydrophobicContact CG-CB 4.14Å; E254-L261 PolarHBondContact OE1-N 3.46Å
262	K	95.8	Very high	97.5	Very high	144 Å²	144	51.4 Å²	51.4	63%	0.626	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-56.8	-173.3	-174.2	-178.2	158	-97.4	0	111.8	R201	R201-K262 PolarHBondContact NH2-O 2.9Å
263	D	94.1	Very high	97.5	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	4.5	-164.9	-55.8	-59.2	0	0	0	113.4	V265	D263-V265 VanDerWaalsContact C-N 3.26Å; D263-V265 HydrophobicContact CB-CG2 4.14Å; D263-V265 PolarHBondContact O-N 2.86Å
264	S	96.4	Very high	97.5	Very high	8 Å²	8	49.7 Å²	49.7	6%	0.056	26%	0.256	C	S	.	.			trans	53.2	37.3	-178.7	-159.5	0	0	0	0	114.2	T210 R259 T260	T210-S264 PolarHBondContact OG1-OG 3.5Å; R259-S264 VanDerWaalsContact CZ-O 3.25Å; R259-S264 PolarHBondContact NE-O 3.33Å; R259-S264 PolarHBondContact NE-OG 3.26Å; R259-S264 PolarHBondContact NH2-O 2.74Å; T260-S264 VanDerWaalsContact O-CA 3.28Å; T260-S264 WeakPolarHBondContact O-CA 3.5Å; T260-S264 PolarHBondContact O-N 3.1Å; T260-S264 VanDerWaalsContact O-N 3.1Å
265	V	97.3	Very high	97.5	Very high	76 Å²	76	50.2 Å²	50.2	46%	0.461	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-83.5	128.5	174.5	-178.7	0	0	0	0	108.7	R259 T260 D263	R259-V265 CarbonylContact C-O 3.59Å; R259-V265 VanDerWaalsContact CA-O 3.26Å; R259-V265 WeakPolarHBondContact CA-O 3.36Å; T260-V265 HydrophobicContact CG2-CB 4.48Å; T260-V265 PolarHBondContact N-O 2.86Å; T260-V265 PolarHBondContact OG1-N 2.92Å; T260-V265 PolarHBondContact OG1-O 3.37Å; D263-V265 VanDerWaalsContact C-N 3.26Å; D263-V265 HydrophobicContact CB-CG2 4.14Å; D263-V265 PolarHBondContact O-N 2.86Å
266	E	97.4	Very high	97.5	Very high	25 Å²	25	50.3 Å²	50.3	12%	0.117	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-59.6	138.9	175.9	-175.7	173.8	123.7	0	0	112.2	R259 K270 Y285 D286	R259-E266 IonicContact NH1-OE2 3.03Å; E266-K270 HydrophobicContact CG-CD 4.22Å; E266-K270 WeakPolarHBondContact OE1-CE 3.42Å; E266-K270 IonicContact OE1-NZ 2.6Å; E266-K270 PolarHBondContact OE1-NZ 3.43Å; E266-Y285 HydrophobicContact CB-CD2 4.37Å; E266-Y285 HydrophobicContact CB-CE2 3.94Å; E266-Y285 HydrophobicContact CG-CD2 4.1Å; E266-Y285 HydrophobicContact CG-CE2 4.18Å; E266-Y285 WeakPolarHBondContact O-CE2 3.47Å; E266-Y285 WeakPolarHBondContact OE1-CA 3.45Å; E266-D286 PolarHBondContact OE1-N 2.78Å
267	L	97.9	Very high	97.4	Very high	41 Å²	41	48.5 Å²	48.5	22%	0.215	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-78.9	124.5	176.5	-56.7	178.7	0	0	0	110.5	E254 G258 T260 N269 K270	E254-L267 HydrophobicContact CB-CD1 4.26Å; E254-L267 VanDerWaalsContact O-CD1 3.29Å; E254-L267 WeakPolarHBondContact O-CD1 3.28Å; G258-L267 PolarHBondContact O-N 2.54Å; T260-L267 HydrophobicContact CG2-CD2 3.72Å; L267-N269 PolarHBondContact O-N 3.04Å; L267-K270 HydrophobicContact CB-CB 4.08Å; L267-K270 PolarHBondContact O-N 3.2Å
268	K	97.1	Very high	97.4	Very high	149 Å²	149	47.7 Å²	47.7	65%	0.648	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-34.3	175.4	-66.9	-175.2	175.7	-174.8	0	113.5	Y285	K268-Y285 HydrophobicContact CB-CD2 4.28Å; K268-Y285 HydrophobicContact CG-CD1 4.46Å; K268-Y285 HydrophobicContact CG-CD2 3.81Å; K268-Y285 HydrophobicContact CG-CE2 3.94Å; K268-Y285 HydrophobicContact CG-CG 4.07Å
269	N	95.8	Very high	97.4	Very high	155 Å²	155	49.1 Å²	49.1	83%	0.829	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	46.5	-179.3	-59.9	-20.1	0	0	0	110.6	L267	L267-N269 PolarHBondContact O-N 3.04Å
270	K	97.4	Very high	97.3	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.039	25%	0.252	C	S	.	.			trans	-63.2	140.1	176.9	57.1	-171.8	176	-63.3	0	111.4	E266 L267 V276 A277 A283 D284	E266-K270 HydrophobicContact CG-CD 4.22Å; E266-K270 WeakPolarHBondContact OE1-CE 3.42Å; E266-K270 IonicContact OE1-NZ 2.6Å; E266-K270 PolarHBondContact OE1-NZ 3.43Å; L267-K270 HydrophobicContact CB-CB 4.08Å; L267-K270 PolarHBondContact O-N 3.2Å; K270-V276 HydrophobicContact CD-CB 4.23Å; K270-V276 HydrophobicContact CD-CG1 3.97Å; K270-A277 HydrophobicContact CD-CB 4.46Å; K270-A283 WeakPolarHBondContact CE-O 3.46Å; K270-A283 VanDerWaalsContact CG-O 3.27Å; K270-A283 WeakPolarHBondContact CG-O 3.28Å; K270-A283 PolarHBondContact NZ-O 3.14Å; K270-D284 VanDerWaalsContact NZ-C 3.29Å; K270-D284 PolarHBondContact NZ-O 3.31Å
271	P	98	Very high	97.2	Very high	52 Å²	52	48.6 Å²	48.6	34%	0.338	26%	0.258	S	S	.	.			trans	-58.4	147	170.6	-24.9	34.5	0	0	0	112.3	G255 T273 S274 A277	G255-P271 WeakPolarHBondContact O-CD 3.41Å; P271-T273 PolarHBondContact O-N 2.96Å; P271-S274 WeakPolarHBondContact O-CB 3.45Å; P271-S274 PolarHBondContact O-N 3.14Å; P271-S274 PolarHBondContact O-OG 2.97Å; P271-A277 WeakPolarHBondContact O-CB 3.36Å
272	I	97.8	Very high	97.1	Very high	60 Å²	60	48.7 Å²	48.7	31%	0.308	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.6	172.8	-171.6	57.7	0	0	0	113.5	R278 A283 K336	I272-R278 WeakPolarHBondContact O-CD 3.47Å; I272-R278 PolarHBondContact O-NH1 3.35Å; I272-A283 HydrophobicContact CB-CB 4.19Å; I272-A283 HydrophobicContact CD1-CB 3.99Å; I272-K336 HydrophobicContact CG1-CD 4.27Å; I272-K336 HydrophobicContact CG2-CD 3.65Å
273	T	98.4	Very high	97.2	Very high	37 Å²	37	43 Å²	43	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.4	171.2	49.7	0	0	0	0	113.3	P271 K336 D339	P271-T273 PolarHBondContact O-N 2.96Å; T273-K336 HydrophobicContact CG2-CB 4.24Å; T273-K336 HydrophobicContact CG2-CD 4.35Å; T273-D339 WeakPolarHBondContact CB-OD2 3.38Å; T273-D339 PolarHBondContact O-N 3.45Å; T273-D339 PolarHBondContact OG1-OD2 3.38Å
274	S	98.6	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-68.8	147.7	180	69.4	0	0	0	0	112.1	G255 W256 P271 V276 A277 R278	G255-S274 WeakPolarHBondContact O-CB 3.35Å; W256-S274 CarbonylContact O-C 3.54Å; W256-S274 VanDerWaalsContact O-CA 3.26Å; W256-S274 WeakPolarHBondContact O-CA 3.06Å; P271-S274 WeakPolarHBondContact O-CB 3.45Å; P271-S274 PolarHBondContact O-N 3.14Å; P271-S274 PolarHBondContact O-OG 2.97Å; S274-V276 VanDerWaalsContact C-N 3.35Å; S274-V276 PolarHBondContact O-N 3.01Å; S274-A277 CarbonylContact O-C 3.59Å; S274-A277 WeakPolarHBondContact O-CA 3.41Å; S274-A277 WeakPolarHBondContact O-CB 3.43Å; S274-A277 PolarHBondContact O-N 2.87Å; S274-A277 WeakPolarHBondContact OG-CB 3.43Å; S274-R278 WeakPolarHBondContact O-CG 3.39Å; S274-R278 PolarHBondContact O-N 3.3Å
275	H	98.5	Very high	97.3	Very high	45 Å²	45	48.9 Å²	48.9	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-51	-50.3	-176.4	-172	51.8	0	0	0	112.8	W256 I257 A277 R278 M279 D338 V340	W256-H275 PolarHBondContact O-N 3.49Å; I257-H275 HydrophobicContact CD1-CB 4.45Å; I257-H275 PolarHBondContact O-N 2.9Å; H275-A277 VanDerWaalsContact C-N 3.32Å; H275-A277 PolarHBondContact O-N 2.71Å; H275-R278 PolarHBondContact O-N 3.26Å; H275-R278 VanDerWaalsContact O-N 3.14Å; H275-M279 VanDerWaalsContact O-CG 3.32Å; H275-M279 WeakPolarHBondContact O-CG 3.42Å; H275-M279 PolarHBondContact O-N 2.86Å; H275-D338 VanDerWaalsContact CA-OD1 3.32Å; H275-D338 WeakPolarHBondContact CA-OD1 3.04Å; H275-D338 IonicContact CE1-OD2 3.67Å; H275-D338 IonicContact CG-OD2 3.34Å; H275-D338 PolarHBondContact N-OD1 2.79Å; H275-D338 IonicContact ND1-OD1 3.2Å; H275-D338 IonicContact ND1-OD2 3.5Å; H275-D338 PolarHBondContact ND1-OD2 3.37Å; H275-V340 HydrophobicContact CB-CB 4.18Å
276	V	97.9	Very high	97.1	Very high	18 Å²	18	51.7 Å²	51.7	11%	0.109	28%	0.276	C	S	.	.	H	α-helix	trans	-56	-45.5	175.4	171.8	0	0	0	0	111.4	I257 R259 K270 S274 R278 M279 V280	I257-V276 WeakPolarHBondContact O-CG2 3.24Å; I257-V276 PolarHBondContact O-N 3.47Å; R259-V276 HydrophobicContact CG-CG2 3.74Å; K270-V276 HydrophobicContact CD-CB 4.23Å; K270-V276 HydrophobicContact CD-CG1 3.97Å; S274-V276 VanDerWaalsContact C-N 3.35Å; S274-V276 PolarHBondContact O-N 3.01Å; V276-R278 VanDerWaalsContact C-N 3.33Å; V276-R278 PolarHBondContact O-N 3.34Å; V276-M279 PolarHBondContact O-N 3.06Å; V276-V280 HydrophobicContact CG1-CG2 3.98Å; V276-V280 VanDerWaalsContact O-CB 3.3Å; V276-V280 WeakPolarHBondContact O-CB 3.41Å; V276-V280 VanDerWaalsContact O-CG2 3.27Å; V276-V280 WeakPolarHBondContact O-CG2 3.46Å; V276-V280 PolarHBondContact O-N 2.76Å
277	A	97.9	Very high	97	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-28.9	-179.9	0	0	0	0	0	113.7	K270 P271 S274 H275 G281 S282 A283	K270-A277 HydrophobicContact CD-CB 4.46Å; P271-A277 WeakPolarHBondContact O-CB 3.36Å; S274-A277 CarbonylContact O-C 3.59Å; S274-A277 WeakPolarHBondContact O-CA 3.41Å; S274-A277 WeakPolarHBondContact O-CB 3.43Å; S274-A277 PolarHBondContact O-N 2.87Å; S274-A277 WeakPolarHBondContact OG-CB 3.43Å; H275-A277 VanDerWaalsContact C-N 3.32Å; H275-A277 PolarHBondContact O-N 2.71Å; A277-G281 WeakPolarHBondContact O-CA 3.44Å; A277-G281 PolarHBondContact O-N 3.28Å; A277-G281 VanDerWaalsContact O-N 3.13Å; A277-S282 VanDerWaalsContact CA-O 3.27Å; A277-S282 WeakPolarHBondContact CA-O 3.33Å; A277-S282 WeakPolarHBondContact CB-O 3.26Å; A277-A283 HydrophobicContact CB-CB 4.42Å
278	R	98	Very high	96.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.5	-47.3	171.8	-56.9	-43.5	-67.7	164.3	-2.6	111.1	I272 S274 H275 V276 R327 S332 D334 K336 D338	I272-R278 WeakPolarHBondContact O-CD 3.47Å; I272-R278 PolarHBondContact O-NH1 3.35Å; S274-R278 WeakPolarHBondContact O-CG 3.39Å; S274-R278 PolarHBondContact O-N 3.3Å; H275-R278 PolarHBondContact O-N 3.26Å; H275-R278 VanDerWaalsContact O-N 3.14Å; V276-R278 VanDerWaalsContact C-N 3.33Å; V276-R278 PolarHBondContact O-N 3.34Å; R278-R327 HydrophobicContact CB-CB 4.4Å; R278-R327 VanDerWaalsContact CZ-O 3.32Å; R278-R327 PolarHBondContact NE-O 2.86Å; R278-R327 VanDerWaalsContact NH1-NH2 3.12Å; R278-R327 PolarHBondContact NH2-O 2.7Å; R278-R327 WeakPolarHBondContact O-CD 3.25Å; R278-R327 PolarHBondContact O-NE 2.89Å; R278-S332 PolarHBondContact NH2-OG 3.28Å; R278-D334 IonicContact CZ-OD1 3.11Å; R278-D334 IonicContact CZ-OD2 3.54Å; R278-D334 IonicContact NH1-OD1 2.76Å; R278-D334 PolarHBondContact NH1-OD1 3.49Å; R278-D334 IonicContact NH1-OD2 2.78Å; R278-D334 PolarHBondContact NH1-OD2 3.07Å; R278-D334 IonicContact NH2-OD1 2.71Å; R278-D334 PolarHBondContact NH2-OD1 2.81Å; R278-D334 IonicContact NH2-OD2 3.4Å; R278-D334 PolarHBondContact NH2-OD2 2.93Å; R278-K336 PolarHBondContact NH2-O 3.03Å; R278-D338 HydrophobicContact CB-CB 4.4Å; R278-D338 HydrophobicContact CG-CB 3.72Å
279	M	97.7	Very high	96.7	Very high	30 Å²	30	50.9 Å²	50.9	15%	0.148	29%	0.294	C	S	.	.	H	α-helix	trans	-70.3	-41.1	-177.1	-62	-58.4	100.5	0	0	113.3	H275 V276 M324 M328	H275-M279 VanDerWaalsContact O-CG 3.32Å; H275-M279 WeakPolarHBondContact O-CG 3.42Å; H275-M279 PolarHBondContact O-N 2.86Å; V276-M279 PolarHBondContact O-N 3.06Å; M279-M324 HydrophobicContact CE-CB 3.98Å; M279-M324 HydrophobicContact SD-CB 3.72Å; M279-M324 HydrophobicContact SD-CG 3.84Å; M279-M324 HydrophobicContact SD-SD 3.95Å; M279-M328 HydrophobicContact CE-CG 3.54Å; M279-M328 HydrophobicContact CE-SD 3.98Å
280	V	96.5	Very high	96.6	Very high	16 Å²	16	50 Å²	50	10%	0.097	28%	0.282	C	S	.	.	H	α-helix	trans	-72.2	-43.3	177.6	170	0	0	0	0	111.1	V276 A287 K290	V276-V280 HydrophobicContact CG1-CG2 3.98Å; V276-V280 VanDerWaalsContact O-CB 3.3Å; V276-V280 WeakPolarHBondContact O-CB 3.41Å; V276-V280 VanDerWaalsContact O-CG2 3.27Å; V276-V280 WeakPolarHBondContact O-CG2 3.46Å; V276-V280 PolarHBondContact O-N 2.76Å; V280-A287 HydrophobicContact CG1-CB 3.91Å; V280-A287 VanDerWaalsContact CG1-O 3.29Å; V280-A287 WeakPolarHBondContact CG1-O 3.19Å; V280-K290 PolarHBondContact O-N 2.74Å
281	G	95.5	Very high	96.6	Very high	31 Å²	31	52.8 Å²	52.8	32%	0.32	29%	0.293	S	S	.	.	S	Bend	trans	102.8	-6	-172.4	0	0	0	0	0	115	A277	A277-G281 WeakPolarHBondContact O-CA 3.44Å; A277-G281 PolarHBondContact O-N 3.28Å; A277-G281 VanDerWaalsContact O-N 3.13Å
282	S	96	Very high	96.6	Very high	30 Å²	30	55 Å²	55	21%	0.21	30%	0.298	C	S	.	.			trans	-135.5	154	172.9	-172	0	0	0	0	112.3	A277 D284	A277-S282 VanDerWaalsContact CA-O 3.27Å; A277-S282 WeakPolarHBondContact CA-O 3.33Å; A277-S282 WeakPolarHBondContact CB-O 3.26Å; S282-D284 PolarHBondContact OG-N 2.81Å; S282-D284 PolarHBondContact OG-OD2 2.65Å
283	A	96.3	Very high	96.6	Very high	26 Å²	26	52.8 Å²	52.8	22%	0.215	29%	0.286	C	S	.	.			trans	-82.9	-16.3	167.7	0	0	0	0	0	112.9	K270 I272 A277	K270-A283 WeakPolarHBondContact CE-O 3.46Å; K270-A283 VanDerWaalsContact CG-O 3.27Å; K270-A283 WeakPolarHBondContact CG-O 3.28Å; K270-A283 PolarHBondContact NZ-O 3.14Å; I272-A283 HydrophobicContact CB-CB 4.19Å; I272-A283 HydrophobicContact CD1-CB 3.99Å; A277-A283 HydrophobicContact CB-CB 4.42Å
284	D	97	Very high	96.5	Very high	112 Å²	112	51 Å²	51	60%	0.599	28%	0.276	S	S	*	.	S	Bend	trans	-58.5	142.4	-178.3	-53.9	-46.2	0	0	0	111.3	K270 S282 A287	K270-D284 VanDerWaalsContact NZ-C 3.29Å; K270-D284 PolarHBondContact NZ-O 3.31Å; S282-D284 PolarHBondContact OG-N 2.81Å; S282-D284 PolarHBondContact OG-OD2 2.65Å; D284-A287 HydrophobicContact CB-CB 4.22Å; D284-A287 WeakPolarHBondContact O-CB 3.44Å
285	Y	96.4	Very high	96.5	Very high	114 Å²	114	53 Å²	53	45%	0.447	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	132.5	179.9	-175.9	-109.6	0	0	0	111.6	E266 K268 A287	E266-Y285 HydrophobicContact CB-CD2 4.37Å; E266-Y285 HydrophobicContact CB-CE2 3.94Å; E266-Y285 HydrophobicContact CG-CD2 4.1Å; E266-Y285 HydrophobicContact CG-CE2 4.18Å; E266-Y285 WeakPolarHBondContact O-CE2 3.47Å; E266-Y285 WeakPolarHBondContact OE1-CA 3.45Å; K268-Y285 HydrophobicContact CB-CD2 4.28Å; K268-Y285 HydrophobicContact CG-CD1 4.46Å; K268-Y285 HydrophobicContact CG-CD2 3.81Å; K268-Y285 HydrophobicContact CG-CE2 3.94Å; K268-Y285 HydrophobicContact CG-CG 4.07Å; Y285-A287 PolarHBondContact O-N 2.95Å
286	D	94	Very high	96.4	Very high	136 Å²	136	51 Å²	51	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	32.2	177.7	-158.8	28.2	0	0	0	113.4	E266	E266-D286 PolarHBondContact OE1-N 2.78Å
287	A	95.3	Very high	96.4	Very high	23 Å²	23	50.8 Å²	50.8	19%	0.19	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-73.2	135.7	177.1	0	0	0	0	0	111.3	V280 D284 Y285 S289	V280-A287 HydrophobicContact CG1-CB 3.91Å; V280-A287 VanDerWaalsContact CG1-O 3.29Å; V280-A287 WeakPolarHBondContact CG1-O 3.19Å; D284-A287 HydrophobicContact CB-CB 4.22Å; D284-A287 WeakPolarHBondContact O-CB 3.44Å; Y285-A287 PolarHBondContact O-N 2.95Å; A287-S289 PolarHBondContact O-N 2.9Å
288	P	94	Very high	96.4	Very high	121 Å²	121	51 Å²	51	79%	0.786	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-68.2	128.1	-179.5	27.4	-34.3	0	0	0	111.4	K290	P288-K290 PolarHBondContact O-N 3.46Å
289	S	94	Very high	96.4	Very high	53 Å²	53	51.4 Å²	51.4	37%	0.371	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-57.2	124.1	175.4	-60.2	0	0	0	0	111.8	A287 Y291	A287-S289 PolarHBondContact O-N 2.9Å; S289-Y291 PolarHBondContact O-N 3.27Å
290	K	93.8	Very high	96.5	Very high	136 Å²	136	50.4 Å²	50.4	59%	0.591	27%	0.271	S	S	*	.	S	Bend	trans	-59.7	-33.7	178.9	-173.7	178.3	-178.4	176.1	0	113.1	V280 P288 F323	V280-K290 PolarHBondContact O-N 2.74Å; P288-K290 PolarHBondContact O-N 3.46Å; K290-F323 HydrophobicContact CB-CE1 4.24Å; K290-F323 HydrophobicContact CB-CZ 4.12Å; K290-F323 HydrophobicContact CD-CD2 4.28Å; K290-F323 HydrophobicContact CD-CE2 3.74Å; K290-F323 HydrophobicContact CD-CZ 3.93Å
291	Y	96.8	Very high	96.5	Very high	69 Å²	69	51 Å²	51	27%	0.271	28%	0.281	S	S	.	.	S	Bend	trans	-136.7	146.3	172.5	-61.2	-71.7	0	0	0	109.5	S289 K319 F323 M324	S289-Y291 PolarHBondContact O-N 3.27Å; Y291-K319 HydrophobicContact CE1-CD 4.21Å; Y291-K319 HydrophobicContact CE1-CG 4.19Å; Y291-F323 HydrophobicContact CD2-CB 3.54Å; Y291-F323 AromaticContact CD2-CD1 3.63Å; Y291-F323 HydrophobicContact CD2-CD1 3.63Å; Y291-F323 HydrophobicContact CD2-CD2 4.17Å; Y291-F323 HydrophobicContact CD2-CE1 4.36Å; Y291-F323 AromaticContact CD2-CG 3.5Å; Y291-F323 HydrophobicContact CD2-CG 3.5Å; Y291-F323 VanDerWaalsContact CD2-CG 3.5Å; Y291-F323 HydrophobicContact CE2-CB 3.64Å; Y291-F323 HydrophobicContact CE2-CD1 4.28Å; Y291-F323 AromaticContact CE2-CD2 3.99Å; Y291-F323 HydrophobicContact CE2-CD2 3.99Å; Y291-F323 AromaticContact CE2-CG 3.7Å; Y291-F323 HydrophobicContact CE2-CG 3.7Å; Y291-M324 VanDerWaalsContact O-CE 3.25Å; Y291-M324 WeakPolarHBondContact O-CE 3.44Å
292	K	97.2	Very high	96.6	Very high	98 Å²	98	53.3 Å²	53.3	43%	0.426	29%	0.288	S	S	.	.			trans	-106.8	155.5	174.3	-69.7	-175.7	175	-178.2	0	110.7	E218 V222 N320	E218-K292 IonicContact OE1-NZ 3.46Å; E218-K292 PolarHBondContact OE1-NZ 2.72Å; V222-K292 HydrophobicContact CB-CB 4.4Å; V222-K292 VanDerWaalsContact CG1-C 3.48Å; V222-K292 HydrophobicContact CG1-CB 3.72Å; V222-K292 HydrophobicContact CG2-CB 3.67Å; V222-K292 HydrophobicContact CG2-CD 3.93Å; V222-K292 HydrophobicContact CG2-CG 4.45Å; K292-N320 PolarHBondContact O-ND2 2.85Å
293	I	98.2	Very high	96.3	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.072	33%	0.325	C	S	.	.			trans	-142.7	152.3	173.5	58	170.6	0	0	0	108.5	P213 R295 F311 A313 A315 N320 F321 M324	P213-I293 WeakPolarHBondContact CD-O 3.42Å; I293-R295 HydrophobicContact CD1-CG 3.67Å; I293-R295 HydrophobicContact CG1-CG 4.04Å; I293-F311 HydrophobicContact CD1-CZ 4.11Å; I293-A313 HydrophobicContact CB-CB 4.16Å; I293-A313 HydrophobicContact CD1-CB 3.7Å; I293-A313 HydrophobicContact CG1-CB 4.3Å; I293-A315 HydrophobicContact CG2-CB 4.26Å; I293-N320 HydrophobicContact CG2-CB 3.96Å; I293-F321 HydrophobicContact CB-CE1 4.29Å; I293-F321 HydrophobicContact CG2-CD1 3.79Å; I293-F321 HydrophobicContact CG2-CE1 3.69Å; I293-M324 HydrophobicContact CD1-CE 4.33Å; I293-M324 HydrophobicContact CD1-SD 3.57Å; I293-M324 VanDerWaalsContact CD1-SD 3.57Å; I293-M324 HydrophobicContact CG1-CE 4.15Å; I293-M324 HydrophobicContact CG1-SD 4.04Å; I293-M324 HydrophobicContact CG2-CE 4.21Å; I293-M324 HydrophobicContact CG2-SD 4.13Å
294	V	98	Very high	96.3	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	97.6	171	179.2	0	0	0	0	108.2	P213 R219 V222 A223 Q296 A313 Y314	P213-V294 HydrophobicContact CB-CG2 4.45Å; P213-V294 HydrophobicContact CG-CG2 4.12Å; R219-V294 HydrophobicContact CB-CG2 4.15Å; R219-V294 HydrophobicContact CG-CG1 4.46Å; R219-V294 HydrophobicContact CG-CG2 4.3Å; V222-V294 HydrophobicContact CB-CG2 4.09Å; V222-V294 HydrophobicContact CG1-CG2 3.96Å; A223-V294 HydrophobicContact CB-CG2 4.1Å; V294-Q296 HydrophobicContact CG1-CG 4.28Å; V294-A313 CarbonylContact O-C 3.59Å; V294-A313 VanDerWaalsContact O-CA 3.31Å; V294-A313 WeakPolarHBondContact O-CA 3.32Å; V294-Y314 PolarHBondContact N-O 3.47Å; V294-Y314 PolarHBondContact O-N 2.98Å
295	R	97.9	Very high	96.2	Very high	42 Å²	42	62.2 Å²	62.2	16%	0.158	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141.2	176.8	-61	170.3	-68.4	172	-14.8	110.9	D208 N212 I293 F311 I312 A313	D208-R295 IonicContact OD1-CZ 2.72Å; D208-R295 IonicContact OD1-NH1 3.97Å; D208-R295 PolarHBondContact OD1-NH1 2.81Å; N212-R295 PolarHBondContact ND2-O 3.44Å; N212-R295 WeakPolarHBondContact OD1-CB 3.35Å; N212-R295 PolarHBondContact OD1-N 3.11Å; N212-R295 PolarHBondContact OD1-NE 2.95Å; N212-R295 PolarHBondContact OD1-NH2 2.84Å; I293-R295 HydrophobicContact CD1-CG 3.67Å; I293-R295 HydrophobicContact CG1-CG 4.04Å; R295-F311 HydrophobicContact CG-CE2 3.98Å; R295-F311 HydrophobicContact CG-CZ 4.47Å; R295-I312 WeakPolarHBondContact CA-O 3.21Å; R295-A313 HydrophobicContact CG-CB 4.05Å
296	Q	96.8	Very high	96.3	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.009	35%	0.352	C	S	.	.			trans	-138.4	31.4	175.5	-56.6	-177	4.9	0	0	111.3	S62 V63 S65 Y73 H161 K163 V294 I312 Y314	S62-Q296 PolarHBondContact O-NE2 3.36Å; S62-Q296 PolarHBondContact O-OE1 3.29Å; V63-Q296 PolarHBondContact O-NE2 3.02Å; S65-Q296 PolarHBondContact O-NE2 3.23Å; Y73-Q296 PolarHBondContact OH-O 3.43Å; H161-Q296 PolarHBondContact CE1-OE1 3.39Å; K163-Q296 VanDerWaalsContact NZ-CD 3.32Å; V294-Q296 HydrophobicContact CG1-CG 4.28Å; Q296-I312 HydrophobicContact CB-CG2 3.93Å; Q296-I312 PolarHBondContact N-O 3.38Å; Q296-I312 VanDerWaalsContact O-CG2 3.23Å; Q296-I312 WeakPolarHBondContact O-CG2 3.29Å; Q296-Y314 HydrophobicContact CG-CD2 4.36Å; Q296-Y314 HydrophobicContact CG-CE2 4.43Å
297	S	97.3	Very high	96.5	Very high	14 Å²	14	55.4 Å²	55.4	10%	0.098	32%	0.323	C	S	.	.			trans	-58	149	176.9	-41.1	0	0	0	0	111.9	D208 L310 F311	D208-S297 WeakPolarHBondContact OD2-CB 3.41Å; S297-L310 WeakPolarHBondContact CA-O 3.26Å; S297-L310 VanDerWaalsContact CB-O 3.32Å; S297-L310 WeakPolarHBondContact CB-O 3.4Å; S297-F311 WeakPolarHBondContact OG-CD2 3.49Å
298	Q	98.1	Very high	96.6	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.023	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.1	168	-70.8	-167.1	-24.9	0	0	111.4	K68 Y73 G194 L310	K68-Q298 PolarHBondContact O-NE2 3Å; Y73-Q298 HydrophobicContact CE2-CB 4.43Å; Y73-Q298 WeakPolarHBondContact OH-CB 3.07Å; Y73-Q298 PolarHBondContact OH-N 3.36Å; G194-Q298 PolarHBondContact O-OE1 3.04Å; Q298-L310 PolarHBondContact N-O 3.39Å; Q298-L310 PolarHBondContact O-N 2.94Å
299	P	98.5	Very high	96.9	Very high	7 Å²	7	49.6 Å²	49.6	5%	0.045	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.8	139.2	160.1	-35.4	40.4	0	0	0	113.2	G194 W195 R201 L203 G308	G194-P299 CarbonylContact C-O 3.5Å; G194-P299 WeakPolarHBondContact CA-O 3.37Å; W195-P299 HydrophobicContact CD2-CB 4.35Å; W195-P299 HydrophobicContact CZ2-CB 4.04Å; W195-P299 PolarHBondContact N-O 2.87Å; W195-P299 WeakPolarHBondContact O-CD 3.26Å; R201-P299 WeakPolarHBondContact O-CG 3.15Å; L203-P299 HydrophobicContact CD1-CB 4.34Å; L203-P299 HydrophobicContact CD2-CB 3.91Å; L203-P299 HydrophobicContact CD2-CG 4.32Å; L203-P299 HydrophobicContact CG-CB 3.87Å; L203-P299 HydrophobicContact CG-CG 4.28Å; P299-G308 CarbonylContact C-O 3.59Å; P299-G308 VanDerWaalsContact CA-O 3.3Å; P299-G308 WeakPolarHBondContact CA-O 3.47Å
300	Y	98.6	Very high	97.1	Very high	10 Å²	10	47.2 Å²	47.2	4%	0.039	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	168.8	172.8	83.6	-75.8	0	0	0	111.3	I192 W195 K237 W238 A307 G308 L310	I192-Y300 HydrophobicContact CG2-CD2 3.69Å; I192-Y300 HydrophobicContact CG2-CG 3.65Å; W195-Y300 VanDerWaalsContact CZ3-C 3.47Å; K237-Y300 HydrophobicContact CD-CE2 4.45Å; K237-Y300 VanDerWaalsContact CE-CE2 3.46Å; K237-Y300 WeakPolarHBondContact CE-OH 3.43Å; K237-Y300 HydrophobicContact CG-CE1 4.1Å; K237-Y300 HydrophobicContact CG-CE2 4.24Å; K237-Y300 VanDerWaalsContact CG-OH 3.24Å; K237-Y300 WeakPolarHBondContact CG-OH 3.42Å; W238-Y300 WeakPolarHBondContact O-CE1 3.24Å; W238-Y300 PolarHBondContact O-OH 2.82Å; Y300-A307 WeakPolarHBondContact O-CA 3.34Å; Y300-G308 WeakPolarHBondContact CD1-O 3.46Å; Y300-G308 PolarHBondContact N-O 3.43Å; Y300-G308 PolarHBondContact O-N 3.13Å; Y300-G308 VanDerWaalsContact O-N 3.1Å; Y300-L310 HydrophobicContact CD1-CB 4.07Å
301	G	97.3	Very high	97.3	Very high	29 Å²	29	42.1 Å²	42.1	30%	0.299	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.3	-163.2	166.7	0	0	0	0	0	115.2	D306	G301-D306 WeakPolarHBondContact CA-O 3.44Å
302	T	96.6	Very high	97.4	Very high	78 Å²	78	38.9 Å²	38.9	48%	0.479	23%	0.23	S	C	.	.			trans	-137.9	157.4	-176.1	66.2	0	0	0	0	111.7	S304 G305 D306	T302-S304 VanDerWaalsContact C-N 3.25Å; T302-S304 PolarHBondContact O-N 2.78Å; T302-G305 PolarHBondContact O-N 3.13Å; T302-G305 VanDerWaalsContact O-O 3.1Å; T302-G305 PolarHBondContact OG1-N 2.9Å; T302-D306 PolarHBondContact N-O 3.28Å; T302-D306 VanDerWaalsContact N-O 3.16Å
303	L	91.1	Very high	97.5	Very high	188 Å²	188	34.2 Å²	34.2	98%	0.984	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.6	175.8	-67.1	177.3	0	0	0	113.7
304	S	95.6	Very high	97.5	Very high	121 Å²	121	33.5 Å²	33.5	85%	0.846	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2.8	179.6	49.7	0	0	0	0	113.9	T302	T302-S304 VanDerWaalsContact C-N 3.25Å; T302-S304 PolarHBondContact O-N 2.78Å
305	G	95.7	Very high	97.5	Very high	47 Å²	47	33.5 Å²	33.5	49%	0.485	21%	0.206	S	C	.	.	S	Bend	trans	-157	-151.2	-177.2	0	0	0	0	0	111.3	T302	T302-G305 PolarHBondContact O-N 3.13Å; T302-G305 VanDerWaalsContact O-O 3.1Å; T302-G305 PolarHBondContact OG1-N 2.9Å
306	D	97.2	Very high	97.5	Very high	94 Å²	94	32.6 Å²	32.6	50%	0.503	21%	0.207	S	C	.	.			trans	-68.9	136.9	178.5	-68	-29	0	0	0	111.6	I239 G301 T302	I239-D306 HydrophobicContact CD1-CB 4.12Å; I239-D306 VanDerWaalsContact CD1-CG 3.49Å; I239-D306 WeakPolarHBondContact CD1-OD2 3.47Å; I239-D306 HydrophobicContact CG1-CB 4.13Å; I239-D306 HydrophobicContact CG2-CB 4.2Å; G301-D306 WeakPolarHBondContact CA-O 3.44Å; T302-D306 PolarHBondContact N-O 3.28Å; T302-D306 VanDerWaalsContact N-O 3.16Å
307	A	98.3	Very high	97.5	Very high	12 Å²	12	34.4 Å²	34.4	10%	0.099	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	153.2	171.3	0	0	0	0	0	110.8	L203 H240 M242 Y300	L203-A307 HydrophobicContact CD1-CB 4.09Å; H240-A307 PolarHBondContact N-O 2.9Å; M242-A307 HydrophobicContact CE-CB 3.77Å; Y300-A307 WeakPolarHBondContact O-CA 3.34Å
308	G	98.5	Very high	97.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.1	-140.7	179.8	0	0	0	0	0	110.8	W238 P299 Y300	W238-G308 WeakPolarHBondContact O-CA 3.3Å; P299-G308 CarbonylContact C-O 3.59Å; P299-G308 VanDerWaalsContact CA-O 3.3Å; P299-G308 WeakPolarHBondContact CA-O 3.47Å; Y300-G308 WeakPolarHBondContact CD1-O 3.46Å; Y300-G308 PolarHBondContact N-O 3.43Å; Y300-G308 PolarHBondContact O-N 3.13Å; Y300-G308 VanDerWaalsContact O-N 3.1Å
309	L	98.7	Very high	97.5	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.115	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.7	-177.5	-168.6	71.8	0	0	0	109.9	W238 H240	W238-L309 WeakPolarHBondContact CB-O 3.46Å; W238-L309 PolarHBondContact N-O 2.68Å; W238-L309 PolarHBondContact O-N 3.16Å; W238-L309 VanDerWaalsContact O-N 3.14Å; H240-L309 PolarHBondContact CE1-N 3.4Å
310	L	98.6	Very high	97.5	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	105.5	159.2	-158.7	90.6	0	0	0	107.4	Y73 I192 V235 K237 S297 Q298 Y300	Y73-L310 HydrophobicContact CD1-CD2 3.57Å; Y73-L310 HydrophobicContact CD2-CB 4.36Å; Y73-L310 HydrophobicContact CD2-CD2 3.29Å; Y73-L310 HydrophobicContact CD2-CG 4.42Å; Y73-L310 HydrophobicContact CE1-CD2 4.12Å; Y73-L310 HydrophobicContact CE2-CB 4.25Å; Y73-L310 HydrophobicContact CE2-CD2 3.86Å; Y73-L310 HydrophobicContact CG-CD2 3.08Å; Y73-L310 HydrophobicContact CG-CG 4.49Å; I192-L310 HydrophobicContact CD1-CD1 3.65Å; I192-L310 HydrophobicContact CG2-CD1 4.31Å; V235-L310 HydrophobicContact CG1-CD2 4.28Å; K237-L310 HydrophobicContact CB-CD1 3.73Å; K237-L310 HydrophobicContact CG-CD1 3.94Å; S297-L310 WeakPolarHBondContact CA-O 3.26Å; S297-L310 VanDerWaalsContact CB-O 3.32Å; S297-L310 WeakPolarHBondContact CB-O 3.4Å; Q298-L310 PolarHBondContact N-O 3.39Å; Q298-L310 PolarHBondContact O-N 2.94Å; Y300-L310 HydrophobicContact CD1-CB 4.07Å
311	F	98.6	Very high	97.5	Very high	29 Å²	29	38.9 Å²	38.9	13%	0.127	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.2	178.3	178.9	-103.7	0	0	0	109.2	V234 V235 Q236 I293 R295 S297 A313	V234-F311 HydrophobicContact CG1-CD1 4.28Å; V234-F311 HydrophobicContact CG1-CE1 3.58Å; V234-F311 HydrophobicContact CG1-CZ 4.44Å; V235-F311 WeakPolarHBondContact CA-O 3.4Å; Q236-F311 HydrophobicContact CB-CB 4.31Å; Q236-F311 HydrophobicContact CB-CD1 4.39Å; Q236-F311 PolarHBondContact N-O 2.93Å; Q236-F311 PolarHBondContact O-N 3.29Å; I293-F311 HydrophobicContact CD1-CZ 4.11Å; R295-F311 HydrophobicContact CG-CE2 3.98Å; R295-F311 HydrophobicContact CG-CZ 4.47Å; S297-F311 WeakPolarHBondContact OG-CD2 3.49Å; F311-A313 HydrophobicContact CE1-CB 4.23Å; F311-A313 HydrophobicContact CZ-CB 3.88Å
312	I	98.6	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.9	164.3	-175.3	169.6	0	0	0	109.3	Y73 F159 H161 V234 V235 R295 Q296 Y314	Y73-I312 HydrophobicContact CE1-CB 4.46Å; Y73-I312 HydrophobicContact CE1-CG2 3.73Å; F159-I312 HydrophobicContact CE1-CD1 3.83Å; F159-I312 HydrophobicContact CZ-CD1 4.35Å; H161-I312 HydrophobicContact CB-CD1 4.18Å; V234-I312 VanDerWaalsContact O-CA 3.3Å; V234-I312 WeakPolarHBondContact O-CA 3.39Å; V235-I312 HydrophobicContact CG2-CB 4.36Å; V235-I312 HydrophobicContact CG2-CD1 3.87Å; V235-I312 HydrophobicContact CG2-CG1 3.89Å; R295-I312 WeakPolarHBondContact CA-O 3.21Å; Q296-I312 HydrophobicContact CB-CG2 3.93Å; Q296-I312 PolarHBondContact N-O 3.38Å; Q296-I312 VanDerWaalsContact O-CG2 3.23Å; Q296-I312 WeakPolarHBondContact O-CG2 3.29Å; I312-Y314 HydrophobicContact CD1-CE2 4.04Å; I312-Y314 HydrophobicContact CG1-CE2 4.3Å
313	A	98.6	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.4	170.5	0	0	0	0	0	112	A233 V234 I293 V294 R295 F311 F321	A233-A313 CarbonylContact C-O 3.41Å; A233-A313 WeakPolarHBondContact CA-O 3.32Å; V234-A313 HydrophobicContact CG1-CB 3.98Å; V234-A313 PolarHBondContact N-O 3.27Å; V234-A313 PolarHBondContact O-N 3.29Å; V234-A313 VanDerWaalsContact O-N 3.12Å; I293-A313 HydrophobicContact CB-CB 4.16Å; I293-A313 HydrophobicContact CD1-CB 3.7Å; I293-A313 HydrophobicContact CG1-CB 4.3Å; V294-A313 CarbonylContact O-C 3.59Å; V294-A313 VanDerWaalsContact O-CA 3.31Å; V294-A313 WeakPolarHBondContact O-CA 3.32Å; R295-A313 HydrophobicContact CG-CB 4.05Å; F311-A313 HydrophobicContact CE1-CB 4.23Å; F311-A313 HydrophobicContact CZ-CB 3.88Å; A313-F321 HydrophobicContact CB-CE1 3.95Å; A313-F321 WeakPolarHBondContact O-CZ 3.46Å
314	Y	98.7	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.5	177.8	-66.7	-79.5	0	0	0	111.5	V63 H161 Y232 A233 V294 Q296 I312 F354	V63-Y314 HydrophobicContact CB-CD1 4.34Å; V63-Y314 HydrophobicContact CB-CE1 4.32Å; V63-Y314 HydrophobicContact CG1-CD1 3.82Å; V63-Y314 HydrophobicContact CG1-CE1 4.29Å; V63-Y314 HydrophobicContact CG1-CG 4.02Å; V63-Y314 HydrophobicContact CG2-CD1 4.24Å; V63-Y314 HydrophobicContact CG2-CE1 3.89Å; V63-Y314 WeakPolarHBondContact O-CD2 3.25Å; H161-Y314 AromaticContact ND1-CE2 3.8Å; H161-Y314 AromaticContact ND1-CZ 3.78Å; H161-Y314 PolarHBondContact ND1-OH 3.25Å; Y232-Y314 CarbonylContact O-C 3.55Å; Y232-Y314 WeakPolarHBondContact O-CA 3.5Å; A233-Y314 HydrophobicContact CB-CD1 3.73Å; A233-Y314 HydrophobicContact CB-CE1 3.72Å; V294-Y314 PolarHBondContact N-O 3.47Å; V294-Y314 PolarHBondContact O-N 2.98Å; Q296-Y314 HydrophobicContact CG-CD2 4.36Å; Q296-Y314 HydrophobicContact CG-CE2 4.43Å; I312-Y314 HydrophobicContact CD1-CE2 4.04Å; I312-Y314 HydrophobicContact CG1-CE2 4.3Å; Y314-F354 HydrophobicContact CE1-CD1 4.02Å; Y314-F354 AromaticContact CE1-CD2 3.79Å; Y314-F354 HydrophobicContact CE1-CD2 3.79Å; Y314-F354 AromaticContact CE1-CE1 3.98Å; Y314-F354 HydrophobicContact CE1-CE1 3.98Å; Y314-F354 AromaticContact CE1-CE2 3.77Å; Y314-F354 HydrophobicContact CE1-CE2 3.77Å; Y314-F354 AromaticContact CE1-CG 3.92Å; Y314-F354 HydrophobicContact CE1-CG 3.92Å; Y314-F354 AromaticContact CE1-CZ 3.85Å; Y314-F354 HydrophobicContact CE1-CZ 3.85Å; Y314-F354 WeakPolarHBondContact OH-CE1 3.22Å; Y314-F354 VanDerWaalsContact OH-CZ 3.31Å; Y314-F354 WeakPolarHBondContact OH-CZ 3.26Å
315	A	98.4	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	152.4	177.6	0	0	0	0	0	112	V222 A223 S231 Y232 I293 D317 N320 F321	V222-A315 CarbonylContact O-C 3.11Å; V222-A315 WeakPolarHBondContact O-CA 3.47Å; A223-A315 CarbonylContact O-C 3.55Å; S231-A315 PolarHBondContact OG-O 2.67Å; Y232-A315 PolarHBondContact N-O 2.86Å; Y232-A315 PolarHBondContact O-N 2.92Å; I293-A315 HydrophobicContact CG2-CB 4.26Å; A315-D317 PolarHBondContact O-N 2.92Å; A315-N320 HydrophobicContact CB-CB 4.02Å; A315-F321 HydrophobicContact CB-CD1 4.44Å; A315-F321 HydrophobicContact CB-CE1 3.64Å; A315-F321 HydrophobicContact CB-CE2 4.07Å; A315-F321 HydrophobicContact CB-CZ 3.43Å; A315-F321 VanDerWaalsContact CB-CZ 3.43Å
316	A	97.6	Very high	98.2	Very high	22 Å²	22	22.6 Å²	22.6	18%	0.182	12%	0.118	C	C	.	.	S	Bend	trans	-66.4	-15.2	175.2	0	0	0	0	0	114.2	V222 A223 I224 N225 Y232	V222-A316 PolarHBondContact O-N 2.96Å; A223-A316 WeakPolarHBondContact O-CA 3.46Å; A223-A316 PolarHBondContact O-N 3.04Å; I224-A316 WeakPolarHBondContact O-CB 3.34Å; N225-A316 PolarHBondContact ND2-O 3.38Å; Y232-A316 WeakPolarHBondContact CD2-O 3.41Å
317	D	97.8	Very high	98.2	Very high	40 Å²	40	19.1 Å²	19.1	21%	0.214	10%	0.098	C	C	.	.	S	Bend	trans	-157.7	141.8	-172.9	-168.6	-38.7	0	0	0	109.9	A315 K319 N320	A315-D317 PolarHBondContact O-N 2.92Å; D317-K319 VanDerWaalsContact C-N 3.25Å; D317-K319 HydrophobicContact CB-CD 4.29Å; D317-K319 HydrophobicContact CB-CG 4.13Å; D317-K319 PolarHBondContact O-N 3.34Å; D317-K319 WeakPolarHBondContact OD1-CG 3.39Å; D317-K319 PolarHBondContact OD1-N 3.32Å; D317-K319 WeakPolarHBondContact OD2-CD 3.45Å; D317-K319 WeakPolarHBondContact OD2-CE 3.27Å; D317-K319 IonicContact OD2-NZ 2.66Å; D317-K319 PolarHBondContact OD2-NZ 3.03Å; D317-N320 PolarHBondContact O-N 3.4Å
318	T	98	Very high	98.2	Very high	14 Å²	14	19.1 Å²	19.1	9%	0.086	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.1	-179.4	61.7	0	0	0	0	113.4	Y232 N320 F321 D322 Y351	Y232-T318 HydrophobicContact CD1-CG2 3.75Å; Y232-T318 HydrophobicContact CE1-CG2 4.4Å; Y232-T318 HydrophobicContact CG-CG2 3.93Å; T318-N320 PolarHBondContact O-N 3.06Å; T318-F321 CarbonylContact O-C 3.47Å; T318-F321 WeakPolarHBondContact O-CA 3.38Å; T318-F321 WeakPolarHBondContact O-CB 3.25Å; T318-F321 PolarHBondContact O-N 3.35Å; T318-D322 PolarHBondContact O-N 3.41Å; T318-D322 PolarHBondContact OG1-OD2 2.87Å; T318-Y351 HydrophobicContact CG2-CD2 4.01Å; T318-Y351 HydrophobicContact CG2-CE2 4.26Å; T318-Y351 HydrophobicContact CG2-CG 4.47Å
319	K	97.5	Very high	98.2	Very high	97 Å²	97	19.3 Å²	19.3	42%	0.422	10%	0.097	S	C	.	.	H	α-helix	trans	-53.7	-28.8	178.1	75.3	-169.2	174.2	-139	0	113	Y291 D317 D322 F323	Y291-K319 HydrophobicContact CE1-CD 4.21Å; Y291-K319 HydrophobicContact CE1-CG 4.19Å; D317-K319 VanDerWaalsContact C-N 3.25Å; D317-K319 HydrophobicContact CB-CD 4.29Å; D317-K319 HydrophobicContact CB-CG 4.13Å; D317-K319 PolarHBondContact O-N 3.34Å; D317-K319 WeakPolarHBondContact OD1-CG 3.39Å; D317-K319 PolarHBondContact OD1-N 3.32Å; D317-K319 WeakPolarHBondContact OD2-CD 3.45Å; D317-K319 WeakPolarHBondContact OD2-CE 3.27Å; D317-K319 IonicContact OD2-NZ 2.66Å; D317-K319 PolarHBondContact OD2-NZ 3.03Å; K319-D322 PolarHBondContact O-N 3.13Å; K319-F323 WeakPolarHBondContact O-CB 3.49Å; K319-F323 PolarHBondContact O-N 2.96Å
320	N	98	Very high	98.1	Very high	17 Å²	17	19 Å²	19	9%	0.091	10%	0.099	C	C	.	.	H	α-helix	trans	-65.8	-43.7	177.7	-63.1	32.3	0	0	0	110.2	K292 I293 A315 D317 T318 M324	K292-N320 PolarHBondContact O-ND2 2.85Å; I293-N320 HydrophobicContact CG2-CB 3.96Å; A315-N320 HydrophobicContact CB-CB 4.02Å; D317-N320 PolarHBondContact O-N 3.4Å; T318-N320 PolarHBondContact O-N 3.06Å; N320-M324 WeakPolarHBondContact O-CG 3.3Å
321	F	98.4	Very high	98	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.013	12%	0.12	C	C	.	.	H	α-helix	trans	-71	-44.4	172.8	-49.4	-43.6	0	0	0	111.3	Y232 V234 I293 A313 A315 T318 F323 M324 L325 Y351	Y232-F321 WeakPolarHBondContact O-CZ 3.38Å; V234-F321 HydrophobicContact CB-CB 4.49Å; V234-F321 HydrophobicContact CB-CD1 4.21Å; V234-F321 HydrophobicContact CB-CD2 4Å; V234-F321 HydrophobicContact CB-CE1 4.44Å; V234-F321 HydrophobicContact CB-CE2 4.24Å; V234-F321 HydrophobicContact CB-CG 3.99Å; V234-F321 HydrophobicContact CB-CZ 4.45Å; V234-F321 HydrophobicContact CG1-CB 4.42Å; V234-F321 HydrophobicContact CG1-CD1 3.47Å; V234-F321 VanDerWaalsContact CG1-CD1 3.47Å; V234-F321 HydrophobicContact CG1-CD2 4.16Å; V234-F321 HydrophobicContact CG1-CE1 3.63Å; V234-F321 HydrophobicContact CG1-CE2 4.29Å; V234-F321 HydrophobicContact CG1-CG 3.77Å; V234-F321 HydrophobicContact CG1-CZ 4.03Å; I293-F321 HydrophobicContact CB-CE1 4.29Å; I293-F321 HydrophobicContact CG2-CD1 3.79Å; I293-F321 HydrophobicContact CG2-CE1 3.69Å; A313-F321 HydrophobicContact CB-CE1 3.95Å; A313-F321 WeakPolarHBondContact O-CZ 3.46Å; A315-F321 HydrophobicContact CB-CD1 4.44Å; A315-F321 HydrophobicContact CB-CE1 3.64Å; A315-F321 HydrophobicContact CB-CE2 4.07Å; A315-F321 HydrophobicContact CB-CZ 3.43Å; A315-F321 VanDerWaalsContact CB-CZ 3.43Å; T318-F321 CarbonylContact O-C 3.47Å; T318-F321 WeakPolarHBondContact O-CA 3.38Å; T318-F321 WeakPolarHBondContact O-CB 3.25Å; T318-F321 PolarHBondContact O-N 3.35Å; F321-F323 VanDerWaalsContact C-N 3.33Å; F321-F323 PolarHBondContact O-N 2.6Å; F321-M324 PolarHBondContact O-N 2.89Å; F321-L325 WeakPolarHBondContact O-CB 3.2Å; F321-L325 WeakPolarHBondContact O-CG 3.48Å; F321-L325 PolarHBondContact O-N 3.36Å; F321-Y351 HydrophobicContact CB-CE1 3.7Å; F321-Y351 WeakPolarHBondContact CB-OH 3.46Å; F321-Y351 HydrophobicContact CD2-CD1 4.1Å; F321-Y351 AromaticContact CD2-CE1 3.8Å; F321-Y351 HydrophobicContact CD2-CE1 3.8Å; F321-Y351 HydrophobicContact CG-CE1 4.11Å
322	D	98	Very high	97.8	Very high	32 Å²	32	22.7 Å²	22.7	17%	0.171	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-43	-177.1	-68.1	-49	0	0	0	111.7	R144 T318 K319 M324 D326 Y351	R144-D322 IonicContact CZ-OD1 3.15Å; R144-D322 IonicContact NH1-OD1 3.65Å; R144-D322 IonicContact NH2-OD1 2.7Å; R144-D322 PolarHBondContact NH2-OD1 2.83Å; T318-D322 PolarHBondContact O-N 3.41Å; T318-D322 PolarHBondContact OG1-OD2 2.87Å; K319-D322 PolarHBondContact O-N 3.13Å; D322-M324 VanDerWaalsContact C-N 3.33Å; D322-M324 PolarHBondContact O-N 2.76Å; D322-D326 WeakPolarHBondContact O-CB 3.29Å; D322-D326 PolarHBondContact O-N 2.92Å; D322-Y351 WeakPolarHBondContact OD1-CE2 3.4Å; D322-Y351 PolarHBondContact OD1-OH 2.72Å
323	F	97.8	Very high	97.5	Very high	39 Å²	39	32.7 Å²	32.7	17%	0.171	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-44.8	172.9	171.6	-100.1	0	0	0	113	K290 Y291 K319 F321 R327	K290-F323 HydrophobicContact CB-CE1 4.24Å; K290-F323 HydrophobicContact CB-CZ 4.12Å; K290-F323 HydrophobicContact CD-CD2 4.28Å; K290-F323 HydrophobicContact CD-CE2 3.74Å; K290-F323 HydrophobicContact CD-CZ 3.93Å; Y291-F323 HydrophobicContact CD2-CB 3.54Å; Y291-F323 AromaticContact CD2-CD1 3.63Å; Y291-F323 HydrophobicContact CD2-CD1 3.63Å; Y291-F323 HydrophobicContact CD2-CD2 4.17Å; Y291-F323 HydrophobicContact CD2-CE1 4.36Å; Y291-F323 AromaticContact CD2-CG 3.5Å; Y291-F323 HydrophobicContact CD2-CG 3.5Å; Y291-F323 VanDerWaalsContact CD2-CG 3.5Å; Y291-F323 HydrophobicContact CE2-CB 3.64Å; Y291-F323 HydrophobicContact CE2-CD1 4.28Å; Y291-F323 AromaticContact CE2-CD2 3.99Å; Y291-F323 HydrophobicContact CE2-CD2 3.99Å; Y291-F323 AromaticContact CE2-CG 3.7Å; Y291-F323 HydrophobicContact CE2-CG 3.7Å; K319-F323 WeakPolarHBondContact O-CB 3.49Å; K319-F323 PolarHBondContact O-N 2.96Å; F321-F323 VanDerWaalsContact C-N 3.33Å; F321-F323 PolarHBondContact O-N 2.6Å; F323-R327 VanDerWaalsContact CZ-CD 3.45Å; F323-R327 WeakPolarHBondContact O-CB 3.35Å; F323-R327 VanDerWaalsContact O-CG 3.25Å; F323-R327 WeakPolarHBondContact O-CG 3.32Å; F323-R327 PolarHBondContact O-N 2.77Å
324	M	98.2	Very high	97.4	Very high	13 Å²	13	35 Å²	35	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-48.8	-178	-70.5	179.3	-177.4	0	0	111.2	M279 Y291 I293 N320 F321 D322 R327 M328	M279-M324 HydrophobicContact CE-CB 3.98Å; M279-M324 HydrophobicContact SD-CB 3.72Å; M279-M324 HydrophobicContact SD-CG 3.84Å; M279-M324 HydrophobicContact SD-SD 3.95Å; Y291-M324 VanDerWaalsContact O-CE 3.25Å; Y291-M324 WeakPolarHBondContact O-CE 3.44Å; I293-M324 HydrophobicContact CD1-CE 4.33Å; I293-M324 HydrophobicContact CD1-SD 3.57Å; I293-M324 VanDerWaalsContact CD1-SD 3.57Å; I293-M324 HydrophobicContact CG1-CE 4.15Å; I293-M324 HydrophobicContact CG1-SD 4.04Å; I293-M324 HydrophobicContact CG2-CE 4.21Å; I293-M324 HydrophobicContact CG2-SD 4.13Å; N320-M324 WeakPolarHBondContact O-CG 3.3Å; F321-M324 PolarHBondContact O-N 2.89Å; D322-M324 VanDerWaalsContact C-N 3.33Å; D322-M324 PolarHBondContact O-N 2.76Å; M324-R327 PolarHBondContact O-N 2.97Å; M324-M328 WeakPolarHBondContact O-CG 3.44Å; M324-M328 PolarHBondContact O-N 3.28Å; M324-M328 VanDerWaalsContact O-N 3.13Å
325	L	98.5	Very high	97.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-42.6	-177.9	-64.1	-172	0	0	0	112.5	Y141 L151 V234 F321 R327 M328 T329 Y351	Y141-L325 HydrophobicContact CE2-CD1 4.04Å; L151-L325 HydrophobicContact CD1-CB 3.87Å; L151-L325 HydrophobicContact CD1-CD2 3.97Å; L151-L325 HydrophobicContact CD1-CG 4.31Å; V234-L325 HydrophobicContact CG2-CD1 4.34Å; F321-L325 WeakPolarHBondContact O-CB 3.2Å; F321-L325 WeakPolarHBondContact O-CG 3.48Å; F321-L325 PolarHBondContact O-N 3.36Å; L325-R327 PolarHBondContact O-N 3.41Å; L325-M328 HydrophobicContact CD2-SD 3.97Å; L325-M328 WeakPolarHBondContact O-CB 3.32Å; L325-M328 PolarHBondContact O-N 2.88Å; L325-T329 PolarHBondContact O-N 3.47Å; L325-T329 PolarHBondContact O-OG1 2.73Å; L325-T329 VanDerWaalsContact O-OG1 3.12Å; L325-Y351 HydrophobicContact CD1-CE1 4.2Å
326	D	98.1	Very high	97.2	Very high	32 Å²	32	41 Å²	41	17%	0.171	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-34.6	175.5	-69.1	17.9	0	0	0	110.7	R142 R144 D322 G330 D331 S332	R142-D326 IonicContact CZ-OD1 2.79Å; R142-D326 IonicContact CZ-OD2 2.81Å; R142-D326 IonicContact NH2-OD1 2.71Å; R142-D326 PolarHBondContact NH2-OD1 2.95Å; R142-D326 IonicContact NH2-OD2 3.6Å; R142-D326 PolarHBondContact NH2-OD2 2.93Å; R144-D326 IonicContact CZ-OD1 3.88Å; R144-D326 IonicContact NE-OD1 3.88Å; R144-D326 PolarHBondContact NE-OD1 3.25Å; R144-D326 IonicContact NH2-OD1 3.54Å; R144-D326 PolarHBondContact NH2-OD1 2.7Å; D322-D326 WeakPolarHBondContact O-CB 3.29Å; D322-D326 PolarHBondContact O-N 2.92Å; D326-G330 PolarHBondContact O-N 3.24Å; D326-D331 HydrophobicContact CB-CB 4.12Å; D326-D331 PolarHBondContact O-N 3.14Å; D326-S332 PolarHBondContact O-N 3.13Å
327	R	97.8	Very high	97.3	Very high	21 Å²	21	40.7 Å²	40.7	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-74.4	-20.8	174.5	-72.4	-175.4	66.6	68.8	-9.7	113.7	R278 F323 M324 L325 S332 D334	R278-R327 HydrophobicContact CB-CB 4.4Å; R278-R327 VanDerWaalsContact CZ-O 3.32Å; R278-R327 PolarHBondContact NE-O 2.86Å; R278-R327 VanDerWaalsContact NH1-NH2 3.12Å; R278-R327 PolarHBondContact NH2-O 2.7Å; R278-R327 WeakPolarHBondContact O-CD 3.25Å; R278-R327 PolarHBondContact O-NE 2.89Å; F323-R327 VanDerWaalsContact CZ-CD 3.45Å; F323-R327 WeakPolarHBondContact O-CB 3.35Å; F323-R327 VanDerWaalsContact O-CG 3.25Å; F323-R327 WeakPolarHBondContact O-CG 3.32Å; F323-R327 PolarHBondContact O-N 2.77Å; M324-R327 PolarHBondContact O-N 2.97Å; L325-R327 PolarHBondContact O-N 3.41Å; R327-S332 PolarHBondContact NH1-OG 3.12Å; R327-D334 IonicContact CZ-OD2 3.78Å; R327-D334 IonicContact NH1-OD1 3.86Å; R327-D334 IonicContact NH1-OD2 2.79Å; R327-D334 PolarHBondContact NH1-OD2 2.97Å; R327-D334 IonicContact NH2-OD2 3.04Å; R327-D334 PolarHBondContact NH2-OD2 3.29Å
328	M	98.4	Very high	97.3	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.054	21%	0.206	C	C	.	.	H	α-helix	trans	-75.2	-45.3	174	-65	179.6	79.7	0	0	112.3	W238 M279 M324 L325 G330 N337 D338 V340 M341	W238-M328 HydrophobicContact CH2-CE 3.57Å; W238-M328 HydrophobicContact CZ2-CE 3.79Å; W238-M328 HydrophobicContact CZ2-SD 4.49Å; M279-M328 HydrophobicContact CE-CG 3.54Å; M279-M328 HydrophobicContact CE-SD 3.98Å; M324-M328 WeakPolarHBondContact O-CG 3.44Å; M324-M328 PolarHBondContact O-N 3.28Å; M324-M328 VanDerWaalsContact O-N 3.13Å; L325-M328 HydrophobicContact CD2-SD 3.97Å; L325-M328 WeakPolarHBondContact O-CB 3.32Å; L325-M328 PolarHBondContact O-N 2.88Å; M328-G330 VanDerWaalsContact C-N 3.35Å; M328-N337 VanDerWaalsContact O-CA 3.32Å; M328-N337 WeakPolarHBondContact O-CA 3.5Å; M328-N337 PolarHBondContact O-ND2 3.05Å; M328-D338 HydrophobicContact CB-CB 4.04Å; M328-D338 HydrophobicContact CG-CB 4.01Å; M328-D338 PolarHBondContact O-N 3.11Å; M328-V340 HydrophobicContact CE-CG1 3.7Å; M328-M341 HydrophobicContact CB-SD 4.07Å; M328-M341 HydrophobicContact CE-CG 4.23Å
329	T	98.2	Very high	97.3	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-82.6	-10.8	-179.7	40.2	0	0	0	0	113.9	R144 G146 L151 L325 D331 N337	R144-T329 HydrophobicContact CB-CG2 3.7Å; R144-T329 WeakPolarHBondContact CB-OG1 3.49Å; G146-T329 WeakPolarHBondContact CA-O 3.46Å; L151-T329 HydrophobicContact CD1-CG2 3.79Å; L151-T329 HydrophobicContact CG-CG2 3.8Å; L325-T329 PolarHBondContact O-N 3.47Å; L325-T329 PolarHBondContact O-OG1 2.73Å; L325-T329 VanDerWaalsContact O-OG1 3.12Å; T329-D331 VanDerWaalsContact C-N 3.35Å; T329-D331 VanDerWaalsContact CB-OD2 3.31Å; T329-D331 WeakPolarHBondContact CB-OD2 3.46Å; T329-D331 PolarHBondContact OG1-OD2 2.93Å; T329-N337 PolarHBondContact O-ND2 2.92Å
330	G	97.2	Very high	97.4	Very high	16 Å²	16	34.8 Å²	34.8	17%	0.165	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	16.7	179.9	0	0	0	0	0	113.2	D326 M328 S332 K336	D326-G330 PolarHBondContact O-N 3.24Å; M328-G330 VanDerWaalsContact C-N 3.35Å; G330-S332 PolarHBondContact O-N 3.4Å; G330-K336 VanDerWaalsContact CA-O 3.26Å; G330-K336 WeakPolarHBondContact CA-O 3.34Å
331	D	96.1	Very high	97.4	Very high	85 Å²	85	34.4 Å²	34.4	46%	0.455	19%	0.187	S	C	.	.			trans	-71.9	-9.6	172.6	-59.9	-52.3	0	0	0	112.1	R144 D326 T329	R144-D331 WeakPolarHBondContact CB-OD2 3.3Å; D326-D331 HydrophobicContact CB-CB 4.12Å; D326-D331 PolarHBondContact O-N 3.14Å; T329-D331 VanDerWaalsContact C-N 3.35Å; T329-D331 VanDerWaalsContact CB-OD2 3.31Å; T329-D331 WeakPolarHBondContact CB-OD2 3.46Å; T329-D331 PolarHBondContact OG1-OD2 2.93Å
332	S	93.8	Very high	97.4	Very high	25 Å²	25	39.7 Å²	39.7	18%	0.175	21%	0.207	C	C	.	.	S	Bend	trans	-77.5	153.5	169.1	69.7	0	0	0	0	112.9	R278 D326 R327 G330 D334 G335	R278-S332 PolarHBondContact NH2-OG 3.28Å; D326-S332 PolarHBondContact O-N 3.13Å; R327-S332 PolarHBondContact NH1-OG 3.12Å; G330-S332 PolarHBondContact O-N 3.4Å; S332-D334 PolarHBondContact O-N 2.8Å; S332-D334 PolarHBondContact OG-OD1 3.02Å; S332-G335 PolarHBondContact O-N 2.87Å
333	E	92.7	Very high	97.4	Very high	211 Å²	211	38.5 Å²	38.5	99%	0.986	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.3	-30.4	-177.6	-62.4	172.5	-172.1	0	0	116.5	G335	E333-G335 VanDerWaalsContact C-N 3.31Å; E333-G335 PolarHBondContact O-N 3.44Å
334	D	95.5	Very high	97.4	Very high	48 Å²	48	37.2 Å²	37.2	26%	0.257	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.4	-177.8	73.9	17.2	0	0	0	115.2	R278 R327 S332 K336	R278-D334 IonicContact CZ-OD1 3.11Å; R278-D334 IonicContact CZ-OD2 3.54Å; R278-D334 IonicContact NH1-OD1 2.76Å; R278-D334 PolarHBondContact NH1-OD1 3.49Å; R278-D334 IonicContact NH1-OD2 2.78Å; R278-D334 PolarHBondContact NH1-OD2 3.07Å; R278-D334 IonicContact NH2-OD1 2.71Å; R278-D334 PolarHBondContact NH2-OD1 2.81Å; R278-D334 IonicContact NH2-OD2 3.4Å; R278-D334 PolarHBondContact NH2-OD2 2.93Å; R327-D334 IonicContact CZ-OD2 3.78Å; R327-D334 IonicContact NH1-OD1 3.86Å; R327-D334 IonicContact NH1-OD2 2.79Å; R327-D334 PolarHBondContact NH1-OD2 2.97Å; R327-D334 IonicContact NH2-OD2 3.04Å; R327-D334 PolarHBondContact NH2-OD2 3.29Å; S332-D334 PolarHBondContact O-N 2.8Å; S332-D334 PolarHBondContact OG-OD1 3.02Å; D334-K336 WeakPolarHBondContact O-CG 3.48Å; D334-K336 PolarHBondContact O-N 3.18Å; D334-K336 PolarHBondContact O-NZ 3.33Å; D334-K336 WeakPolarHBondContact OD1-CB 3.34Å; D334-K336 PolarHBondContact OD1-N 3.2Å
335	G	96.9	Very high	97.4	Very high	48 Å²	48	43.2 Å²	43.2	50%	0.495	22%	0.221	S	C	.	.			trans	65.2	11.4	178.3	0	0	0	0	0	115.6	S332 E333	S332-G335 PolarHBondContact O-N 2.87Å; E333-G335 VanDerWaalsContact C-N 3.31Å; E333-G335 PolarHBondContact O-N 3.44Å
336	K	97.7	Very high	97.4	Very high	78 Å²	78	43.1 Å²	43.1	34%	0.339	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-97	139.2	-172.2	-62.6	-179.9	-169	62.8	0	112	I272 T273 R278 G330 D334	I272-K336 HydrophobicContact CG1-CD 4.27Å; I272-K336 HydrophobicContact CG2-CD 3.65Å; T273-K336 HydrophobicContact CG2-CB 4.24Å; T273-K336 HydrophobicContact CG2-CD 4.35Å; R278-K336 PolarHBondContact NH2-O 3.03Å; G330-K336 VanDerWaalsContact CA-O 3.26Å; G330-K336 WeakPolarHBondContact CA-O 3.34Å; D334-K336 WeakPolarHBondContact O-CG 3.48Å; D334-K336 PolarHBondContact O-N 3.18Å; D334-K336 PolarHBondContact O-NZ 3.33Å; D334-K336 WeakPolarHBondContact OD1-CB 3.34Å; D334-K336 PolarHBondContact OD1-N 3.2Å
337	N	98	Very high	97.5	Very high	16 Å²	16	43.6 Å²	43.6	9%	0.086	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-85.8	161.8	172.7	-68.3	105.2	0	0	0	112.3	N147 L148 M328 T329	N147-N337 WeakPolarHBondContact CB-OD1 3.33Å; N147-N337 PolarHBondContact N-OD1 2.96Å; N147-N337 PolarHBondContact ND2-OD1 3.28Å; N147-N337 VanDerWaalsContact ND2-OD1 3.1Å; L148-N337 HydrophobicContact CB-CB 4.48Å; L148-N337 HydrophobicContact CD1-CB 3.79Å; L148-N337 HydrophobicContact CG-CB 3.99Å; M328-N337 VanDerWaalsContact O-CA 3.32Å; M328-N337 WeakPolarHBondContact O-CA 3.5Å; M328-N337 PolarHBondContact O-ND2 3.05Å; T329-N337 PolarHBondContact O-ND2 2.92Å
338	D	98.7	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-82.3	121.6	168.2	-166.5	-28.3	0	0	0	111.2	L148 H275 R278 M328 V340 M341	L148-D338 VanDerWaalsContact CD1-O 3.29Å; L148-D338 WeakPolarHBondContact CD1-O 3.31Å; H275-D338 VanDerWaalsContact CA-OD1 3.32Å; H275-D338 WeakPolarHBondContact CA-OD1 3.04Å; H275-D338 IonicContact CE1-OD2 3.67Å; H275-D338 IonicContact CG-OD2 3.34Å; H275-D338 PolarHBondContact N-OD1 2.79Å; H275-D338 IonicContact ND1-OD1 3.2Å; H275-D338 IonicContact ND1-OD2 3.5Å; H275-D338 PolarHBondContact ND1-OD2 3.37Å; R278-D338 HydrophobicContact CB-CB 4.4Å; R278-D338 HydrophobicContact CG-CB 3.72Å; M328-D338 HydrophobicContact CB-CB 4.04Å; M328-D338 HydrophobicContact CG-CB 4.01Å; M328-D338 PolarHBondContact O-N 3.11Å; D338-V340 HydrophobicContact CB-CG1 4.18Å; D338-V340 VanDerWaalsContact CG-CG1 3.43Å; D338-V340 PolarHBondContact O-N 2.68Å; D338-V340 VanDerWaalsContact OD1-CB 3.31Å; D338-V340 WeakPolarHBondContact OD1-CB 3.23Å; D338-V340 WeakPolarHBondContact OD1-CG1 3.46Å; D338-V340 PolarHBondContact OD1-N 2.93Å; D338-M341 HydrophobicContact CB-CG 4.48Å; D338-M341 WeakPolarHBondContact O-CB 3.4Å; D338-M341 PolarHBondContact O-N 3.28Å; D338-M341 VanDerWaalsContact O-N 3.11Å
339	D	98.6	Very high	97.5	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.064	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-64.5	-15.7	178.4	-76.7	-29.1	0	0	0	113.4	W256 T273 M341 R342	W256-D339 HydrophobicContact CB-CB 3.81Å; W256-D339 HydrophobicContact CG-CB 3.9Å; T273-D339 WeakPolarHBondContact CB-OD2 3.38Å; T273-D339 PolarHBondContact O-N 3.45Å; T273-D339 PolarHBondContact OG1-OD2 3.38Å; D339-M341 PolarHBondContact O-N 3.2Å; D339-R342 VanDerWaalsContact O-CB 3.27Å; D339-R342 WeakPolarHBondContact O-CB 3.49Å; D339-R342 VanDerWaalsContact O-CG 3.23Å; D339-R342 WeakPolarHBondContact O-CG 3.46Å; D339-R342 PolarHBondContact O-N 3.03Å; D339-R342 VanDerWaalsContact O-N 3.11Å; D339-R342 IonicContact OD1-CZ 3.14Å; D339-R342 IonicContact OD1-NE 2.72Å; D339-R342 PolarHBondContact OD1-NE 2.69Å; D339-R342 IonicContact OD1-NH2 2.71Å; D339-R342 PolarHBondContact OD1-NH2 2.92Å
340	V	98.4	Very high	97.5	Very high	15 Å²	15	43.9 Å²	43.9	9%	0.091	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-56.7	-35.9	170.5	83.4	0	0	0	0	111.4	I257 H275 M328 D338 R342 F343 T344	I257-V340 HydrophobicContact CD1-CG2 3.94Å; H275-V340 HydrophobicContact CB-CB 4.18Å; M328-V340 HydrophobicContact CE-CG1 3.7Å; D338-V340 HydrophobicContact CB-CG1 4.18Å; D338-V340 VanDerWaalsContact CG-CG1 3.43Å; D338-V340 PolarHBondContact O-N 2.68Å; D338-V340 VanDerWaalsContact OD1-CB 3.31Å; D338-V340 WeakPolarHBondContact OD1-CB 3.23Å; D338-V340 WeakPolarHBondContact OD1-CG1 3.46Å; D338-V340 PolarHBondContact OD1-N 2.93Å; V340-R342 PolarHBondContact O-N 2.94Å; V340-F343 HydrophobicContact CB-CE1 4.39Å; V340-F343 HydrophobicContact CG2-CE1 3.71Å; V340-F343 HydrophobicContact CG2-CE2 4.36Å; V340-F343 HydrophobicContact CG2-CZ 3.5Å; V340-F343 VanDerWaalsContact CG2-CZ 3.5Å; V340-F343 WeakPolarHBondContact O-CD1 3.27Å; V340-F343 PolarHBondContact O-N 2.7Å; V340-T344 HydrophobicContact CG2-CG2 4.29Å; V340-T344 WeakPolarHBondContact O-CG2 3.43Å; V340-T344 PolarHBondContact O-N 2.66Å
341	M	98.5	Very high	97.6	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.044	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-67.7	-7.3	-178.8	-59.7	-173.6	73.5	0	0	113.2	L148 L151 W238 M328 D338 D339 T344	L148-M341 HydrophobicContact CB-CB 3.72Å; L148-M341 HydrophobicContact CD1-CB 4.44Å; L151-M341 HydrophobicContact CD2-CE 4.32Å; W238-M341 HydrophobicContact CH2-CE 4.13Å; W238-M341 HydrophobicContact CH2-CG 4.16Å; W238-M341 HydrophobicContact CH2-SD 4.47Å; W238-M341 HydrophobicContact CZ3-CE 4.3Å; W238-M341 HydrophobicContact CZ3-CG 4.12Å; M328-M341 HydrophobicContact CB-SD 4.07Å; M328-M341 HydrophobicContact CE-CG 4.23Å; D338-M341 HydrophobicContact CB-CG 4.48Å; D338-M341 WeakPolarHBondContact O-CB 3.4Å; D338-M341 PolarHBondContact O-N 3.28Å; D338-M341 VanDerWaalsContact O-N 3.11Å; D339-M341 PolarHBondContact O-N 3.2Å; M341-T344 CarbonylContact C-O 3.58Å; M341-T344 WeakPolarHBondContact CA-O 3.36Å
342	R	98.2	Very high	97.7	Very high	114 Å²	114	39.2 Å²	39.2	43%	0.43	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-65.9	-38.5	172.5	-65.2	177.2	-177	-73.4	-8.9	112.4	L148 M244 D339 V340	L148-R342 HydrophobicContact CD1-CG 3.94Å; L148-R342 HydrophobicContact CD2-CG 4.24Å; M244-R342 WeakPolarHBondContact CE-O 3.23Å; M244-R342 HydrophobicContact SD-CB 4.49Å; D339-R342 VanDerWaalsContact O-CB 3.27Å; D339-R342 WeakPolarHBondContact O-CB 3.49Å; D339-R342 VanDerWaalsContact O-CG 3.23Å; D339-R342 WeakPolarHBondContact O-CG 3.46Å; D339-R342 PolarHBondContact O-N 3.03Å; D339-R342 VanDerWaalsContact O-N 3.11Å; D339-R342 IonicContact OD1-CZ 3.14Å; D339-R342 IonicContact OD1-NE 2.72Å; D339-R342 PolarHBondContact OD1-NE 2.69Å; D339-R342 IonicContact OD1-NH2 2.71Å; D339-R342 PolarHBondContact OD1-NH2 2.92Å; V340-R342 PolarHBondContact O-N 2.94Å
343	F	98	Very high	98	Very high	6 Å²	6	38 Å²	38	3%	0.026	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-4	-176.3	71.9	-98.1	0	0	0	113.3	N241 M244 I245 W256 I257 V340	N241-F343 PolarHBondContact N-O 3.07Å; M244-F343 HydrophobicContact CG-CB 4.39Å; M244-F343 HydrophobicContact SD-CB 3.87Å; I245-F343 HydrophobicContact CD1-CD2 3.83Å; I245-F343 HydrophobicContact CD1-CE2 4.38Å; I245-F343 HydrophobicContact CG1-CB 4.22Å; I245-F343 HydrophobicContact CG1-CD2 3.82Å; I245-F343 HydrophobicContact CG1-CG 4.19Å; W256-F343 AromaticContact CE3-CD1 3.74Å; W256-F343 HydrophobicContact CE3-CD1 3.74Å; W256-F343 HydrophobicContact CE3-CE1 4.38Å; W256-F343 HydrophobicContact CZ3-CB 4.38Å; W256-F343 HydrophobicContact CZ3-CD1 4.12Å; I257-F343 HydrophobicContact CD1-CE1 4.02Å; I257-F343 HydrophobicContact CD1-CZ 3.96Å; V340-F343 HydrophobicContact CB-CE1 4.39Å; V340-F343 HydrophobicContact CG2-CE1 3.71Å; V340-F343 HydrophobicContact CG2-CE2 4.36Å; V340-F343 HydrophobicContact CG2-CZ 3.5Å; V340-F343 VanDerWaalsContact CG2-CZ 3.5Å; V340-F343 WeakPolarHBondContact O-CD1 3.27Å; V340-F343 PolarHBondContact O-N 2.7Å
344	T	98.6	Very high	98.2	Very high	12 Å²	12	28 Å²	28	7%	0.074	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.6	175.7	-172	0	0	0	0	114.2	W238 I239 H240 V340 M341	W238-T344 HydrophobicContact CE3-CG2 3.63Å; W238-T344 HydrophobicContact CZ3-CG2 4.05Å; I239-T344 CarbonylContact O-C 3.56Å; I239-T344 VanDerWaalsContact O-CA 3.24Å; I239-T344 WeakPolarHBondContact O-CA 3.41Å; I239-T344 WeakPolarHBondContact O-CB 3.44Å; I239-T344 PolarHBondContact O-OG1 3.21Å; H240-T344 PolarHBondContact CE1-OG1 3.34Å; H240-T344 VanDerWaalsContact ND1-CB 3.34Å; H240-T344 WeakPolarHBondContact ND1-CB 3.16Å; H240-T344 PolarHBondContact ND1-OG1 3.27Å; V340-T344 HydrophobicContact CG2-CG2 4.29Å; V340-T344 WeakPolarHBondContact O-CG2 3.43Å; V340-T344 PolarHBondContact O-N 2.66Å; M341-T344 CarbonylContact C-O 3.58Å; M341-T344 WeakPolarHBondContact CA-O 3.36Å
345	K	98.5	Very high	98.3	Very high	139 Å²	139	25.8 Å²	25.8	60%	0.604	13%	0.134	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.2	-178.4	179.1	-175.5	174.8	-170.3	0	110.9	W238 I239 V347	W238-K345 WeakPolarHBondContact CA-O 3.47Å; I239-K345 PolarHBondContact N-O 3.5Å; I239-K345 PolarHBondContact O-N 3.1Å; K345-V347 HydrophobicContact CD-CG1 4.31Å; K345-V347 HydrophobicContact CG-CG1 4.3Å
346	C	98.7	Very high	98.4	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.027	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.6	168.4	-163.9	0	0	0	0	109.8	K150 L151 K237 W238 T348	K150-C346 WeakPolarHBondContact O-CB 3.37Å; L151-C346 HydrophobicContact CD2-CB 3.79Å; K237-C346 WeakPolarHBondContact O-CA 3.34Å; W238-C346 HydrophobicContact CD2-CB 3.88Å; W238-C346 HydrophobicContact CE3-CB 3.87Å; W238-C346 HydrophobicContact CH2-CB 3.8Å; W238-C346 HydrophobicContact CZ2-CB 3.79Å; W238-C346 HydrophobicContact CZ3-CB 3.83Å; C346-T348 PolarHBondContact SG-O 2.67Å
347	V	98.4	Very high	98.3	Very high	42 Å²	42	22.6 Å²	22.6	26%	0.255	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-19.7	178.4	-66.5	0	0	0	0	114.2	K237 I239 K345	K237-V347 HydrophobicContact CB-CG2 4Å; K237-V347 HydrophobicContact CD-CG2 3.91Å; K237-V347 HydrophobicContact CG-CG2 3.88Å; K237-V347 WeakPolarHBondContact O-CG2 3.44Å; K237-V347 PolarHBondContact O-N 2.79Å; I239-V347 HydrophobicContact CD1-CB 4.31Å; I239-V347 HydrophobicContact CD1-CG1 3.61Å; I239-V347 HydrophobicContact CD1-CG2 3.8Å; I239-V347 HydrophobicContact CG1-CG1 4.27Å; I239-V347 HydrophobicContact CG1-CG2 3.97Å; K345-V347 HydrophobicContact CD-CG1 4.31Å; K345-V347 HydrophobicContact CG-CG1 4.3Å
348	T	98.4	Very high	98.1	Very high	32 Å²	32	23.2 Å²	23.2	20%	0.196	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155	167.4	72.3	0	0	0	0	110.2	T154 Q236 K237 C346	T154-T348 HydrophobicContact CG2-CG2 4.29Å; T154-T348 WeakPolarHBondContact OG1-CB 3.45Å; Q236-T348 VanDerWaalsContact CA-O 3.28Å; Q236-T348 WeakPolarHBondContact CA-O 3.41Å; K237-T348 HydrophobicContact CB-CG2 4.12Å; K237-T348 WeakPolarHBondContact CB-OG1 3.27Å; K237-T348 HydrophobicContact CD-CG2 4.26Å; K237-T348 PolarHBondContact N-O 3.07Å; K237-T348 PolarHBondContact N-OG1 2.92Å; K237-T348 VanDerWaalsContact N-OG1 3.14Å; C346-T348 PolarHBondContact SG-O 2.67Å
349	G	98.5	Very high	98	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	127.3	-178.9	0	0	0	0	0	111.7	P152 T154 V235	P152-G349 VanDerWaalsContact O-CA 3.32Å; P152-G349 WeakPolarHBondContact O-CA 3.41Å; P152-G349 PolarHBondContact O-N 2.94Å; T154-G349 PolarHBondContact N-O 3.17Å; T154-G349 PolarHBondContact OG1-N 3.39Å; T154-G349 PolarHBondContact OG1-O 3.24Å; V235-G349 WeakPolarHBondContact O-CA 3.17Å
350	N	98.6	Very high	97.9	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.048	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	158	171.6	-162.2	25.9	0	0	0	111.6	Y141 G155 V235 W352	Y141-N350 VanDerWaalsContact CD2-C 3.47Å; G155-N350 PolarHBondContact O-ND2 3.4Å; V235-N350 PolarHBondContact N-O 2.93Å; V235-N350 PolarHBondContact O-N 2.88Å; V235-N350 VanDerWaalsContact O-N 3.1Å; N350-W352 HydrophobicContact CB-CZ2 4.06Å; N350-W352 WeakPolarHBondContact ND2-CZ2 3.45Å
351	Y	98.8	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	144.9	164.7	-70.7	-25.1	0	0	0	109.8	Y139 Y141 A233 V234 T318 F321 D322 L325	Y139-Y351 WeakPolarHBondContact O-CB 3.38Å; Y139-Y351 WeakPolarHBondContact O-CD2 3.48Å; Y141-Y351 AromaticContact CD2-CD1 3.56Å; Y141-Y351 HydrophobicContact CD2-CD1 3.56Å; Y141-Y351 HydrophobicContact CD2-CD2 4.17Å; Y141-Y351 AromaticContact CD2-CE1 3.69Å; Y141-Y351 HydrophobicContact CD2-CE1 3.69Å; Y141-Y351 HydrophobicContact CD2-CE2 4.32Å; Y141-Y351 AromaticContact CD2-CG 3.79Å; Y141-Y351 HydrophobicContact CD2-CG 3.79Å; Y141-Y351 HydrophobicContact CE2-CD1 4.22Å; Y141-Y351 HydrophobicContact CE2-CE1 4.05Å; Y141-Y351 HydrophobicContact CG-CG 4.44Å; A233-Y351 CarbonylContact O-C 3.6Å; A233-Y351 WeakPolarHBondContact O-CA 3.27Å; V234-Y351 HydrophobicContact CB-CD1 3.74Å; V234-Y351 HydrophobicContact CB-CE1 3.76Å; V234-Y351 HydrophobicContact CG2-CD1 3.9Å; V234-Y351 HydrophobicContact CG2-CE1 3.74Å; T318-Y351 HydrophobicContact CG2-CD2 4.01Å; T318-Y351 HydrophobicContact CG2-CE2 4.26Å; T318-Y351 HydrophobicContact CG2-CG 4.47Å; F321-Y351 HydrophobicContact CB-CE1 3.7Å; F321-Y351 WeakPolarHBondContact CB-OH 3.46Å; F321-Y351 HydrophobicContact CD2-CD1 4.1Å; F321-Y351 AromaticContact CD2-CE1 3.8Å; F321-Y351 HydrophobicContact CD2-CE1 3.8Å; F321-Y351 HydrophobicContact CG-CE1 4.11Å; D322-Y351 WeakPolarHBondContact OD1-CE2 3.4Å; D322-Y351 PolarHBondContact OD1-OH 2.72Å; L325-Y351 HydrophobicContact CD1-CE1 4.2Å
352	W	98.8	Very high	97.5	Very high	3 Å²	3	34 Å²	34	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.3	-176.5	-56	92.1	0	0	0	109.8	T75 G156 F159 Y232 A233 N350 F354	T75-W352 HydrophobicContact CG2-CH2 3.96Å; T75-W352 HydrophobicContact CG2-CZ2 3.98Å; G156-W352 WeakPolarHBondContact O-CZ3 3.49Å; F159-W352 HydrophobicContact CB-CD2 3.54Å; F159-W352 HydrophobicContact CB-CE3 3.42Å; F159-W352 VanDerWaalsContact CB-CE3 3.42Å; F159-W352 HydrophobicContact CB-CG 4.27Å; F159-W352 HydrophobicContact CB-CH2 3.72Å; F159-W352 HydrophobicContact CB-CZ2 3.83Å; F159-W352 HydrophobicContact CB-CZ3 3.53Å; F159-W352 HydrophobicContact CD2-CZ2 4.16Å; F159-W352 HydrophobicContact CG-CD2 4.11Å; F159-W352 AromaticContact CG-CE2 3.98Å; F159-W352 HydrophobicContact CG-CE3 4.45Å; F159-W352 HydrophobicContact CG-CZ2 4.21Å; Y232-W352 CarbonylContact C-O 3.52Å; Y232-W352 WeakPolarHBondContact CA-O 3.36Å; A233-W352 HydrophobicContact CB-CB 4.38Å; A233-W352 PolarHBondContact N-O 3.07Å; A233-W352 PolarHBondContact O-N 2.8Å; N350-W352 HydrophobicContact CB-CZ2 4.06Å; N350-W352 WeakPolarHBondContact ND2-CZ2 3.45Å; W352-F354 HydrophobicContact CB-CD2 4.27Å; W352-F354 HydrophobicContact CB-CE2 4.03Å
353	Y	98.7	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.9	168.6	179.7	-100.8	0	0	0	110.1	G118 F119 L124 I136 Y139 T228 Y232 P355 E359	G118-Y353 CarbonylContact C-O 3.47Å; G118-Y353 VanDerWaalsContact CA-O 3.31Å; G118-Y353 WeakPolarHBondContact CA-O 3.45Å; F119-Y353 PolarHBondContact N-O 2.8Å; F119-Y353 PolarHBondContact O-N 3Å; L124-Y353 HydrophobicContact CD2-CD1 4.13Å; L124-Y353 HydrophobicContact CD2-CG 4.47Å; I136-Y353 HydrophobicContact CD1-CD1 4.08Å; I136-Y353 HydrophobicContact CD1-CE1 3.51Å; I136-Y353 HydrophobicContact CD1-CE2 4.35Å; I136-Y353 HydrophobicContact CG1-CE1 4.08Å; I136-Y353 HydrophobicContact CG1-CE2 4.01Å; I136-Y353 HydrophobicContact CG2-CD2 3.99Å; I136-Y353 HydrophobicContact CG2-CE2 4.12Å; I136-Y353 HydrophobicContact CG2-CG 4.24Å; Y139-Y353 VanDerWaalsContact CZ-CB 3.47Å; Y139-Y353 WeakPolarHBondContact OH-CB 3.42Å; T228-Y353 WeakPolarHBondContact CB-OH 3.32Å; T228-Y353 PolarHBondContact OG1-OH 3.03Å; Y232-Y353 HydrophobicContact CD1-CD2 4.03Å; Y232-Y353 AromaticContact CE1-CD2 3.74Å; Y232-Y353 HydrophobicContact CE1-CD2 3.74Å; Y232-Y353 HydrophobicContact CE1-CE2 4.47Å; Y353-P355 HydrophobicContact CE1-CB 3.93Å; Y353-P355 VanDerWaalsContact O-CD 3.27Å; Y353-P355 WeakPolarHBondContact O-CD 3.17Å; Y353-E359 WeakPolarHBondContact CE1-OE1 3.4Å; Y353-E359 WeakPolarHBondContact CE1-OE2 3.25Å; Y353-E359 PolarHBondContact OH-OE2 3.04Å
354	F	98.7	Very high	97.1	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	103.2	172.7	-78.4	-112.8	0	0	0	108.3	V63 G116 F159 H161 G230 S231 A233 Y314 W352	V63-F354 HydrophobicContact CG2-CB 4.19Å; V63-F354 HydrophobicContact CG2-CD1 4Å; V63-F354 HydrophobicContact CG2-CG 4.35Å; G116-F354 WeakPolarHBondContact O-CE1 3.21Å; F159-F354 HydrophobicContact CD1-CE2 4.11Å; F159-F354 AromaticContact CD1-CZ 3.73Å; F159-F354 HydrophobicContact CD1-CZ 3.73Å; F159-F354 HydrophobicContact CE1-CZ 4.09Å; H161-F354 HydrophobicContact CB-CE1 4.32Å; H161-F354 HydrophobicContact CB-CZ 4.18Å; G230-F354 CarbonylContact C-O 3.56Å; G230-F354 WeakPolarHBondContact CA-O 3.42Å; S231-F354 PolarHBondContact N-O 3.35Å; S231-F354 PolarHBondContact O-N 2.81Å; A233-F354 HydrophobicContact CB-CD2 3.81Å; A233-F354 HydrophobicContact CB-CE2 3.6Å; Y314-F354 HydrophobicContact CE1-CD1 4.02Å; Y314-F354 AromaticContact CE1-CD2 3.79Å; Y314-F354 HydrophobicContact CE1-CD2 3.79Å; Y314-F354 AromaticContact CE1-CE1 3.98Å; Y314-F354 HydrophobicContact CE1-CE1 3.98Å; Y314-F354 AromaticContact CE1-CE2 3.77Å; Y314-F354 HydrophobicContact CE1-CE2 3.77Å; Y314-F354 AromaticContact CE1-CG 3.92Å; Y314-F354 HydrophobicContact CE1-CG 3.92Å; Y314-F354 AromaticContact CE1-CZ 3.85Å; Y314-F354 HydrophobicContact CE1-CZ 3.85Å; Y314-F354 WeakPolarHBondContact OH-CE1 3.22Å; Y314-F354 VanDerWaalsContact OH-CZ 3.31Å; Y314-F354 WeakPolarHBondContact OH-CZ 3.26Å; W352-F354 HydrophobicContact CB-CD2 4.27Å; W352-F354 HydrophobicContact CB-CE2 4.03Å
355	P	97.9	Very high	96.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.17	C	C	.	.			trans	-58.2	158.2	174.7	23.2	-35.1	0	0	0	112.6	Q60 F119 Y353 E359 F360 L363	Q60-P355 WeakPolarHBondContact CG-O 3.48Å; Q60-P355 PolarHBondContact NE2-O 2.56Å; F119-P355 HydrophobicContact CD2-CG 4.3Å; F119-P355 HydrophobicContact CE2-CG 3.93Å; Y353-P355 HydrophobicContact CE1-CB 3.93Å; Y353-P355 VanDerWaalsContact O-CD 3.27Å; Y353-P355 WeakPolarHBondContact O-CD 3.17Å; P355-E359 WeakPolarHBondContact CA-OE2 3.4Å; P355-E359 HydrophobicContact CB-CB 3.84Å; P355-E359 VanDerWaalsContact CB-CD 3.45Å; P355-E359 HydrophobicContact CB-CG 3.86Å; P355-E359 WeakPolarHBondContact CB-OE2 3.43Å; P355-F360 HydrophobicContact CB-CB 4.34Å; P355-F360 HydrophobicContact CG-CB 3.94Å; P355-F360 HydrophobicContact CG-CD2 4.04Å; P355-F360 HydrophobicContact CG-CG 4.49Å; P355-L363 HydrophobicContact CB-CD1 4.33Å; P355-L363 HydrophobicContact CG-CD1 4.36Å
356	S	97.3	Very high	94.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.154	C	C	.	.			trans	-62.9	157.7	163.2	52.9	0	0	0	0	110.4	A58 T228 G229 P358 E359 F360	A58-S356 WeakPolarHBondContact O-CA 3.47Å; A58-S356 WeakPolarHBondContact O-CB 3.48Å; T228-S356 PolarHBondContact O-OG 3.39Å; T228-S356 VanDerWaalsContact O-OG 3.06Å; G229-S356 VanDerWaalsContact C-CB 3.5Å; G229-S356 WeakPolarHBondContact O-CB 3.31Å; S356-P358 VanDerWaalsContact C-CD 3.46Å; S356-E359 CarbonylContact O-C 3.58Å; S356-E359 WeakPolarHBondContact O-CA 3.49Å; S356-E359 WeakPolarHBondContact O-CB 3.45Å; S356-E359 PolarHBondContact O-N 3.08Å; S356-E359 VanDerWaalsContact OG-CB 3.25Å; S356-E359 WeakPolarHBondContact OG-CB 3.16Å; S356-F360 PolarHBondContact O-N 3.18Å
357	V	96.5	Very high	91.9	Very high	58 Å²	58	29 Å²	29	35%	0.352	18%	0.178	S	C	.	.	H	α-helix	trans	-51.7	-49.8	177.2	175.9	0	0	0	0	112.3	A58 Q60 E359 F360 D361	A58-V357 PolarHBondContact O-N 3.32Å; Q60-V357 HydrophobicContact CG-CG2 4.09Å; V357-E359 PolarHBondContact O-N 2.61Å; V357-F360 WeakPolarHBondContact O-CB 3.29Å; V357-F360 PolarHBondContact O-N 2.78Å; V357-D361 VanDerWaalsContact O-CG 3.22Å; V357-D361 PolarHBondContact O-N 3.12Å
358	P	94.7	Very high	88.9	Confident	29 Å²	29	33.5 Å²	33.5	19%	0.188	20%	0.2	C	C	.	.	H	α-helix	trans	-69.4	-20	177.9	-3	15.9	0	0	0	113.6	T55 S356 R362	T55-P358 WeakPolarHBondContact O-CG 3.32Å; S356-P358 VanDerWaalsContact C-CD 3.46Å; P358-R362 VanDerWaalsContact O-CG 3.28Å; P358-R362 WeakPolarHBondContact O-CG 3.43Å; P358-R362 PolarHBondContact O-N 2.9Å; P358-R362 PolarHBondContact O-NE 2.85Å; P358-R362 PolarHBondContact O-NH1 3.23Å; P358-R362 VanDerWaalsContact O-NH1 3.07Å
359	E	95.2	Very high	85.9	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-77.7	-43.7	172.4	-172.2	-162.2	163.5	0	0	111.1	R134 I136 Y353 P355 S356 V357 D361 R362 L363	R134-E359 IonicContact CZ-OE1 2.65Å; R134-E359 VanDerWaalsContact NH1-CD 3.31Å; R134-E359 IonicContact NH1-OE1 2.74Å; R134-E359 PolarHBondContact NH1-OE1 2.88Å; R134-E359 IonicContact NH2-OE1 2.81Å; R134-E359 PolarHBondContact NH2-OE1 3.11Å; I136-E359 WeakPolarHBondContact CD1-OE1 3.36Å; Y353-E359 WeakPolarHBondContact CE1-OE1 3.4Å; Y353-E359 WeakPolarHBondContact CE1-OE2 3.25Å; Y353-E359 PolarHBondContact OH-OE2 3.04Å; P355-E359 WeakPolarHBondContact CA-OE2 3.4Å; P355-E359 HydrophobicContact CB-CB 3.84Å; P355-E359 VanDerWaalsContact CB-CD 3.45Å; P355-E359 HydrophobicContact CB-CG 3.86Å; P355-E359 WeakPolarHBondContact CB-OE2 3.43Å; S356-E359 CarbonylContact O-C 3.58Å; S356-E359 WeakPolarHBondContact O-CA 3.49Å; S356-E359 WeakPolarHBondContact O-CB 3.45Å; S356-E359 PolarHBondContact O-N 3.08Å; S356-E359 VanDerWaalsContact OG-CB 3.25Å; S356-E359 WeakPolarHBondContact OG-CB 3.16Å; V357-E359 PolarHBondContact O-N 2.61Å; E359-D361 PolarHBondContact O-N 3.14Å; E359-R362 PolarHBondContact O-N 2.71Å; E359-L363 HydrophobicContact CG-CD1 4.32Å; E359-L363 WeakPolarHBondContact O-CG 3.13Å; E359-L363 PolarHBondContact O-N 2.72Å
360	F	96.3	Very high	83	Confident	12 Å²	12	47.5 Å²	47.5	5%	0.053	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-48.5	173.2	-176.6	-101.7	0	0	0	111	I91 I94 V117 F119 P355 S356 V357 R362 L363 V364	I91-F360 HydrophobicContact CG2-CE2 4.49Å; I91-F360 HydrophobicContact CG2-CZ 4.29Å; I94-F360 HydrophobicContact CG2-CE1 4.45Å; I94-F360 HydrophobicContact CG2-CZ 4.42Å; V117-F360 HydrophobicContact CB-CD2 4.37Å; V117-F360 HydrophobicContact CB-CE2 3.74Å; V117-F360 HydrophobicContact CB-CZ 4.31Å; V117-F360 HydrophobicContact CG1-CE2 3.93Å; V117-F360 HydrophobicContact CG2-CE2 3.98Å; V117-F360 HydrophobicContact CG2-CZ 4.02Å; F119-F360 HydrophobicContact CE2-CD2 4.26Å; F119-F360 HydrophobicContact CZ-CD2 4.05Å; F119-F360 AromaticContact CZ-CE2 3.86Å; F119-F360 HydrophobicContact CZ-CE2 3.86Å; P355-F360 HydrophobicContact CB-CB 4.34Å; P355-F360 HydrophobicContact CG-CB 3.94Å; P355-F360 HydrophobicContact CG-CD2 4.04Å; P355-F360 HydrophobicContact CG-CG 4.49Å; S356-F360 PolarHBondContact O-N 3.18Å; V357-F360 WeakPolarHBondContact O-CB 3.29Å; V357-F360 PolarHBondContact O-N 2.78Å; F360-R362 VanDerWaalsContact C-N 3.29Å; F360-R362 PolarHBondContact O-N 2.78Å; F360-L363 PolarHBondContact O-N 3.32Å; F360-L363 VanDerWaalsContact O-N 3.09Å; F360-V364 HydrophobicContact CD1-CG2 4.25Å; F360-V364 HydrophobicContact CE1-CG2 3.93Å; F360-V364 HydrophobicContact CE2-CG2 4.31Å; F360-V364 HydrophobicContact CZ-CG2 3.97Å; F360-V364 WeakPolarHBondContact O-CG2 3.5Å; F360-V364 PolarHBondContact O-N 2.89Å
361	D	94.5	Very high	79.9	Confident	95 Å²	95	55.1 Å²	55.1	51%	0.508	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-39.4	177	-64.8	-23.6	0	0	0	112.3	V357 E359 G365	V357-D361 VanDerWaalsContact O-CG 3.22Å; V357-D361 PolarHBondContact O-N 3.12Å; E359-D361 PolarHBondContact O-N 3.14Å; D361-G365 PolarHBondContact O-N 2.85Å
362	R	93.6	Very high	77.2	Confident	152 Å²	152	65.5 Å²	65.5	57%	0.574	33%	0.327	S	S	*	.	H	α-helix	trans	-68.2	-38.4	175.1	-78.6	-174.2	-56.9	-94.6	1.6	112.8	P358 E359 F360 G366	P358-R362 VanDerWaalsContact O-CG 3.28Å; P358-R362 WeakPolarHBondContact O-CG 3.43Å; P358-R362 PolarHBondContact O-N 2.9Å; P358-R362 PolarHBondContact O-NE 2.85Å; P358-R362 PolarHBondContact O-NH1 3.23Å; P358-R362 VanDerWaalsContact O-NH1 3.07Å; E359-R362 PolarHBondContact O-N 2.71Å; F360-R362 VanDerWaalsContact C-N 3.29Å; F360-R362 PolarHBondContact O-N 2.78Å; R362-G366 WeakPolarHBondContact O-CA 3.26Å; R362-G366 PolarHBondContact O-N 3.4Å
363	L	94.8	Very high	74.5	Confident	25 Å²	25	75 Å²	75	13%	0.131	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-45.5	176.8	-71	167.8	0	0	0	110.5	L88 F119 I127 P355 E359 F360	L88-L363 HydrophobicContact CD2-CB 4.23Å; L88-L363 WeakPolarHBondContact CD2-O 3.44Å; F119-L363 HydrophobicContact CE2-CD1 4Å; I127-L363 HydrophobicContact CD1-CD1 4.46Å; I127-L363 HydrophobicContact CD1-CD2 4.4Å; P355-L363 HydrophobicContact CB-CD1 4.33Å; P355-L363 HydrophobicContact CG-CD1 4.36Å; E359-L363 HydrophobicContact CG-CD1 4.32Å; E359-L363 WeakPolarHBondContact O-CG 3.13Å; E359-L363 PolarHBondContact O-N 2.72Å; F360-L363 PolarHBondContact O-N 3.32Å; F360-L363 VanDerWaalsContact O-N 3.09Å
364	V	93.8	Very high	71.6	Confident	29 Å²	29	86.3 Å²	86.3	18%	0.176	42%	0.416	C	S	.	.	H	α-helix	trans	-66.5	-45.1	177.7	172.8	0	0	0	0	111.9	L88 F360 G366	L88-V364 HydrophobicContact CD1-CG2 4.07Å; L88-V364 HydrophobicContact CG-CG2 4.29Å; F360-V364 HydrophobicContact CD1-CG2 4.25Å; F360-V364 HydrophobicContact CE1-CG2 3.93Å; F360-V364 HydrophobicContact CE2-CG2 4.31Å; F360-V364 HydrophobicContact CZ-CG2 3.97Å; F360-V364 WeakPolarHBondContact O-CG2 3.5Å; F360-V364 PolarHBondContact O-N 2.89Å; V364-G366 VanDerWaalsContact C-N 3.34Å; V364-G366 PolarHBondContact O-N 2.97Å
365	G	81.6	Confident	70.3	Confident	40 Å²	40	90.6 Å²	90.6	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-79.6	-8.4	-178.5	0	0	0	0	0	115.4	D361 G367 L368	D361-G365 PolarHBondContact O-N 2.85Å; G365-G367 PolarHBondContact O-N 3.23Å; G365-L368 PolarHBondContact O-N 2.95Å
366	G	59	Low	68.8	Low	25 Å²	25	95.3 Å²	95.3	26%	0.258	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-55.8	-26.6	-167	0	0	0	0	0	115.9	R362 V364 L368 W369 E370	R362-G366 WeakPolarHBondContact O-CA 3.26Å; R362-G366 PolarHBondContact O-N 3.4Å; V364-G366 VanDerWaalsContact C-N 3.34Å; V364-G366 PolarHBondContact O-N 2.97Å; G366-L368 PolarHBondContact O-N 3.35Å; G366-L368 VanDerWaalsContact O-N 3.13Å; G366-W369 PolarHBondContact O-N 3.49Å; G366-W369 VanDerWaalsContact O-N 3.15Å; G366-E370 PolarHBondContact O-N 3.1Å
367	G	45.8	Very low	67.3	Low	53 Å²	53	100.5 Å²	100.5	55%	0.546	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-61.6	-18.3	176.2	0	0	0	0	0	115.2	G365	G365-G367 PolarHBondContact O-N 3.23Å
368	L	35.3	Very low	65.5	Low	136 Å²	136	103 Å²	103	71%	0.712	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-92.9	-19.7	176	-79.8	166.3	0	0	0	113.9	G365 G366	G365-L368 PolarHBondContact O-N 2.95Å; G366-L368 PolarHBondContact O-N 3.35Å; G366-L368 VanDerWaalsContact O-N 3.13Å
369	W	35	Very low	63.7	Low	187 Å²	187	107.6 Å²	107.6	71%	0.708	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-26.9	-174.3	-157.6	-95.4	0	0	0	113.5	G366 F371	G366-W369 PolarHBondContact O-N 3.49Å; G366-W369 VanDerWaalsContact O-N 3.15Å; W369-F371 VanDerWaalsContact C-N 3.35Å
370	E	38.2	Very low	61.6	Low	140 Å²	140	114.7 Å²	114.7	65%	0.654	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-74.7	-25.6	173.1	-65	-165.2	151.1	0	0	112.6	G366 W372 R373	G366-E370 PolarHBondContact O-N 3.1Å; E370-W372 PolarHBondContact O-N 3.46Å; E370-W372 VanDerWaalsContact O-N 3.15Å; E370-R373 PolarHBondContact O-N 3.07Å
371	F	34.7	Very low	59.1	Low	169 Å²	169	122 Å²	122	74%	0.741	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-66	-14	177.4	-151.4	-88.1	0	0	0	114	W369	W369-F371 VanDerWaalsContact C-N 3.35Å
372	W	40.2	Very low	56.4	Low	217 Å²	217	124.1 Å²	124.1	82%	0.822	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-107.8	14.4	174.7	-64.3	99.1	0	0	0	113.1	E370	E370-W372 PolarHBondContact O-N 3.46Å; E370-W372 VanDerWaalsContact O-N 3.15Å
373	R	43	Very low	53.3	Low	203 Å²	203	121.8 Å²	121.8	77%	0.766	59%	0.586	S	S	*	*			trans	-123.1	2.1	177.9	-77.2	-168	174.2	-162.4	-1	114.4	E370	E370-R373 PolarHBondContact O-N 3.07Å
374	Q	38.5	Very low	49.5	Very low	237 Å²	237	130.5 Å²	130.5	100%	1.107	63%	0.628	S	S	*	*			trans	-103.5	0	161.1	-62.1	-176.1	19.7	0	0	108.2

Retrieved 374 of 374 residues in 351.2 ms (Link to these results)

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